#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckj n ASP 4 N 0.00 0.55 -4.69 0.00 8.00 -1.26 -1.63 116.55 117.52 2ckj n ASP 4 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2ckj n ASP 4 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2ckj n ASP 4 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ckj s LYS 5 N -1.78 4.34 0.26 -1.24 1.02 -1.26 -4.63 119.74 116.45 2ckj s LYS 5 Ca 0.00 1.74 -0.08 0.00 0.02 0.00 0.00 55.97 57.65 2ckj s LYS 5 Cb 0.00 -3.54 -0.07 0.00 -0.52 0.00 0.00 37.83 33.70 2ckj s LYS 5 CO 0.00 -0.46 0.57 -1.17 -0.92 0.00 0.00 175.35 173.37 2ckj s LEU 6 N 2.16 4.11 -0.10 3.17 0.20 -0.85 -4.98 118.68 122.39 2ckj s LEU 6 Ca 0.58 0.89 -0.03 0.00 0.69 0.00 0.00 54.13 56.25 2ckj s LEU 6 Cb -0.26 -3.67 0.05 0.00 -0.43 0.00 0.00 46.19 41.87 2ckj s LEU 6 CO 0.23 -0.13 0.14 -0.69 -0.29 0.00 0.00 176.35 175.61 2ckj s VAL 7 N -1.93 -0.21 0.28 1.68 1.01 -1.26 -2.11 120.40 117.86 2ckj s VAL 7 Ca 0.47 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2ckj s VAL 7 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2ckj s VAL 7 CO 0.24 0.08 0.33 0.72 0.00 0.00 0.00 175.10 176.47 2ckj s PHE 8 N 2.25 1.14 0.04 5.22 -0.12 -0.94 -0.53 117.98 125.04 2ckj s PHE 8 Ca 0.04 -1.31 0.08 0.00 -0.05 0.00 0.00 56.93 55.68 2ckj s PHE 8 Cb -0.13 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2ckj s PHE 8 CO -0.06 -0.91 -0.21 -0.06 -0.05 0.00 0.00 175.22 173.93 2ckj s PHE 9 N -3.61 2.49 -0.15 3.49 0.40 -0.67 -1.63 117.98 118.30 2ckj s PHE 9 Ca 0.34 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2ckj s PHE 9 Cb 0.02 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.13 2ckj s PHE 9 CO 0.18 0.21 -0.15 0.08 0.70 0.00 0.00 175.22 176.24 2ckj s VAL 10 N -0.88 1.63 -1.03 -0.44 1.01 0.28 0.15 120.40 121.13 2ckj s VAL 10 Ca 0.14 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2ckj s VAL 10 Cb -0.10 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2ckj s VAL 10 CO 0.04 0.46 0.14 0.59 0.00 0.00 0.00 175.10 176.33 2ckj n ASN 11 N 4.75 -3.62 0.00 3.32 3.02 0.19 -2.77 115.26 120.16 2ckj n ASN 11 Ca -0.17 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2ckj n ASN 11 Cb 0.50 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 2ckj n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ckj n GLY 12 N -0.89 2.44 3.88 7.41 0.00 -1.26 -5.05 105.19 111.73 2ckj n GLY 12 Ca -0.10 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 2ckj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 13 N 0.00 3.72 0.50 1.61 0.52 -1.11 -5.00 118.95 119.19 2ckj s ARG 13 Ca 0.00 0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.18 2ckj s ARG 13 Cb 0.00 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 2ckj s ARG 13 CO 0.00 0.41 0.93 0.21 0.02 0.00 0.00 175.30 176.87 2ckj s LYS 14 N -2.65 3.87 -0.04 3.54 2.20 -1.26 -0.55 119.74 124.84 2ckj s LYS 14 Ca 0.43 0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 56.83 2ckj s LYS 14 Cb -0.12 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2ckj s LYS 14 CO 0.22 -0.24 0.07 0.08 -0.36 0.00 0.00 175.35 175.13 2ckj s VAL 15 N -2.62 -0.09 -0.23 4.02 1.01 -0.65 -4.85 120.40 117.00 2ckj s VAL 15 Ca 0.56 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 2ckj s VAL 15 Cb -0.10 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.20 2ckj s VAL 15 CO 0.34 0.11 0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2ckj s VAL 16 N 1.45 1.00 -0.30 2.92 1.01 -1.26 -2.23 120.40 122.98 2ckj s VAL 16 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 2ckj s VAL 16 Cb -0.12 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.85 2ckj s VAL 16 CO -0.04 -0.25 0.01 -0.70 0.00 0.00 0.00 175.10 174.12 2ckj s GLU 17 N 1.63 2.44 0.52 2.72 2.56 -0.89 -4.99 118.70 122.68 2ckj s GLU 17 Ca -0.01 -1.26 0.35 0.00 0.00 0.00 0.00 54.97 54.04 2ckj s GLU 17 Cb -0.18 -3.21 1.88 0.00 2.00 0.00 0.00 34.13 34.63 2ckj s GLU 17 CO -0.10 -0.63 2.06 0.87 -0.56 0.00 0.00 175.26 176.91 2ckj h LYS 18 N 8.02 0.00 0.00 4.30 1.57 -1.90 -2.27 116.57 126.28 2ckj h LYS 18 Ca -0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 2ckj h LYS 18 Cb 1.06 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 2ckj h LYS 18 CO 0.54 0.00 -0.38 0.09 -0.57 0.00 0.00 179.45 179.13 2ckj n ASN 19 N -2.72 -0.22 -4.72 0.86 3.02 -1.26 -4.53 115.26 105.69 2ckj n ASN 19 Ca -0.02 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 2ckj n ASN 19 Cb 0.05 0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2ckj n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj n ALA 20 N 0.09 1.63 -2.58 5.41 0.00 -1.26 -4.89 120.51 118.92 2ckj n ALA 20 Ca -0.10 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 2ckj n ALA 20 Cb 0.73 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 2ckj n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ckj s ASP 21 N -0.25 6.23 0.64 0.00 -1.08 -1.26 -4.30 116.67 116.64 2ckj s ASP 21 Ca 0.55 0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.87 2ckj s ASP 21 Cb -0.54 -2.21 0.95 0.00 -1.46 0.00 0.00 42.92 39.66 2ckj s ASP 21 CO 0.63 -0.26 1.50 -0.65 0.52 0.00 0.00 175.17 176.91 2ckj h PRO 22 N 8.30 0.00 0.00 4.34 0.11 -1.88 -0.99 132.00 141.87 2ckj h PRO 22 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ckj h PRO 22 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ckj h PRO 22 CO 0.67 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 2ckj n GLU 23 N -3.01 0.25 -2.70 1.05 1.02 -1.26 -4.68 120.64 111.31 2ckj n GLU 23 Ca 0.06 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 57.04 2ckj n GLU 23 Cb 0.88 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 2ckj n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ckj s THR 24 N -3.15 4.46 0.47 2.62 -4.23 -0.38 -4.99 115.64 110.44 2ckj s THR 24 Ca 0.09 1.37 -0.23 0.00 -1.18 0.00 0.00 61.69 61.74 2ckj s THR 24 Cb 0.12 -4.43 -0.07 0.00 1.34 0.00 0.00 72.50 69.45 2ckj s THR 24 CO 0.56 -0.65 1.25 0.28 -0.54 0.00 0.00 174.62 175.52 2ckj s THR 25 N 3.79 2.70 0.09 3.99 -1.32 -1.26 -2.45 115.64 121.17 2ckj s THR 25 Ca 0.43 0.55 -0.34 0.00 -1.21 0.00 0.00 61.69 61.12 2ckj s THR 25 Cb -0.11 -3.29 -0.16 0.00 -1.51 0.00 0.00 72.50 67.43 2ckj s THR 25 CO 0.21 0.02 1.60 0.25 -2.21 0.00 0.00 174.62 174.48 2ckj h LEU 26 N 2.03 -1.08 -9.18 9.08 5.85 -0.59 -2.89 115.31 118.53 2ckj h LEU 26 Ca -0.50 0.08 -0.71 0.00 0.84 0.00 0.00 57.88 57.59 2ckj h LEU 26 Cb 1.26 0.34 0.02 0.00 0.37 0.00 0.00 40.66 42.66 2ckj h LEU 26 CO 0.60 -0.59 0.86 -0.11 -0.34 0.00 0.00 178.44 178.86 2ckj n LEU 27 N -5.52 2.42 0.00 2.25 7.94 -0.37 -0.80 117.00 122.91 2ckj n LEU 27 Ca -0.12 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 2ckj n LEU 27 Cb 0.41 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2ckj n LEU 27 CO 0.31 -0.47 0.00 0.00 -1.11 0.00 0.00 177.39 176.12 2ckj n ALA 28 N 5.09 0.00 -0.27 1.96 0.00 -1.26 -4.61 120.51 121.42 2ckj n ALA 28 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 2ckj n ALA 28 Cb 0.16 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.70 2ckj n ALA 28 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ckj h TYR 29 N 0.00 1.17 -0.02 0.00 3.20 -0.78 -2.02 116.97 118.52 2ckj h TYR 29 Ca 0.00 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2ckj h TYR 29 Cb 0.00 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.92 2ckj h TYR 29 CO 0.00 0.88 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.09 2ckj h LEU 30 N 1.13 0.24 0.16 2.82 3.38 -1.22 -0.57 115.31 121.25 2ckj h LEU 30 Ca 0.26 -0.73 -0.21 0.00 0.09 0.00 0.00 57.88 57.29 2ckj h LEU 30 Cb 0.19 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ckj h LEU 30 CO -0.02 0.94 -0.91 -0.09 0.09 0.00 0.00 178.44 178.44 2ckj h ARG 31 N -0.44 0.33 0.00 1.13 1.12 -1.74 -2.36 114.38 112.43 2ckj h ARG 31 Ca -0.03 -0.57 0.00 0.00 -1.11 0.00 0.00 59.98 58.28 2ckj h ARG 31 Cb 0.96 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2ckj h ARG 31 CO 0.05 1.27 0.00 2.89 -3.11 0.00 0.00 179.97 181.07 2ckj n ARG 32 N -4.07 1.20 -0.08 0.20 1.85 -0.76 -3.86 116.66 111.14 2ckj n ARG 32 Ca -0.14 -1.03 -0.10 0.00 -1.00 0.00 0.00 57.85 55.57 2ckj n ARG 32 Cb 0.86 -0.98 -0.08 0.00 -1.05 0.00 0.00 32.46 31.21 2ckj n ARG 32 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ckj n LYS 33 N -0.27 0.81 -0.87 2.89 3.00 -0.28 -4.63 118.16 118.81 2ckj n LYS 33 Ca 0.00 0.07 -0.06 0.00 -0.00 0.00 0.00 58.31 58.31 2ckj n LYS 33 Cb 0.15 -1.33 0.19 0.00 0.00 0.00 0.00 35.03 34.05 2ckj n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 34 N -2.84 4.33 -3.36 3.14 4.77 -0.85 -5.00 117.00 117.18 2ckj n LEU 34 Ca -0.27 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 2ckj n LEU 34 Cb 0.84 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2ckj n LEU 34 CO 0.19 1.29 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 2ckj n GLY 35 N -1.12 0.00 3.13 -0.72 0.00 -1.19 -4.88 105.19 100.41 2ckj n GLY 35 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 2ckj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckj s LEU 36 N -4.48 5.19 0.00 0.99 1.43 -0.89 -5.03 118.68 115.89 2ckj s LEU 36 Ca 0.00 -1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 51.03 2ckj s LEU 36 Cb 0.00 -1.84 0.17 0.00 0.03 0.00 0.00 46.19 44.55 2ckj s LEU 36 CO 0.00 -0.53 0.57 -1.54 0.23 0.00 0.00 176.35 175.07 2ckj n SER 37 N 4.63 -1.82 0.00 2.29 3.41 -1.26 -4.27 113.62 116.59 2ckj n SER 37 Ca -0.04 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2ckj n SER 37 Cb 0.41 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2ckj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 38 N -1.65 1.61 3.28 5.00 0.00 -1.26 -4.88 105.19 107.29 2ckj n GLY 38 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2ckj n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 39 N -3.46 5.06 0.49 2.61 2.01 -1.26 -4.81 115.64 116.28 2ckj s THR 39 Ca 0.00 -2.14 -0.17 0.00 0.31 0.00 0.00 61.69 59.70 2ckj s THR 39 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 2ckj s THR 39 CO 0.00 -0.93 0.96 -0.54 -0.69 0.00 0.00 174.62 173.42 2ckj s LYS 40 N 0.74 3.98 -0.23 4.92 -0.14 -0.92 -4.92 119.74 123.18 2ckj s LYS 40 Ca 0.12 0.93 -0.09 0.00 -1.36 0.00 0.00 55.97 55.57 2ckj s LYS 40 Cb -0.20 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.74 2ckj s LYS 40 CO -0.04 -0.20 0.12 -1.17 -0.76 0.00 0.00 175.35 173.30 2ckj s LEU 41 N -3.88 3.90 0.00 3.17 2.96 -1.26 -3.28 118.68 120.28 2ckj s LEU 41 Ca 0.59 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2ckj s LEU 41 Cb -0.10 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2ckj s LEU 41 CO 0.28 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 2ckj n GLY 42 N 4.22 0.00 0.77 7.98 0.00 -1.26 -4.87 105.19 112.03 2ckj n GLY 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ckj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 44 N 2.68 0.77 0.26 0.00 0.00 -1.26 -4.05 105.19 103.58 2ckj n GLY 44 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2ckj n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 45 N -2.32 0.90 0.00 1.61 2.13 -1.26 -4.91 120.64 116.78 2ckj n GLU 45 Ca 0.00 -0.80 0.00 0.00 0.66 0.00 0.00 57.16 57.02 2ckj n GLU 45 Cb 0.00 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2ckj n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ckj n GLY 46 N 0.57 3.07 2.09 8.31 0.00 -1.26 -4.97 105.19 112.99 2ckj n GLY 46 Ca 0.04 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2ckj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 47 N 0.00 6.08 0.00 -0.02 0.00 -1.26 -4.39 105.19 105.61 2ckj n GLY 47 Ca 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 46.02 43.62 2ckj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 49 N 1.62 -0.20 0.65 0.00 0.00 -0.85 -3.13 105.19 103.27 2ckj n GLY 49 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2ckj n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 50 N -1.78 2.45 -1.39 4.61 0.00 -1.26 -3.53 120.51 119.60 2ckj n ALA 50 Ca -0.10 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.80 2ckj n ALA 50 Cb 0.52 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 19.13 2ckj n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s THR 52 N -2.51 4.95 0.29 0.00 2.01 -1.23 -0.33 115.64 118.82 2ckj s THR 52 Ca 0.30 1.11 0.06 0.00 0.31 0.00 0.00 61.69 63.48 2ckj s THR 52 Cb 0.28 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 2ckj s THR 52 CO -0.01 0.45 0.26 1.33 -0.69 0.00 0.00 174.62 175.96 2ckj n VAL 53 N 2.56 0.00 -3.88 3.82 0.24 -0.97 -4.70 118.33 115.40 2ckj n VAL 53 Ca -0.09 -2.10 -0.27 0.00 -2.04 0.00 0.00 64.34 59.85 2ckj n VAL 53 Cb 0.51 1.06 -0.17 0.00 -1.47 0.00 0.00 33.84 33.77 2ckj n VAL 53 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2ckj s MET 54 N -3.16 1.38 -0.29 7.34 1.75 -0.37 -2.51 119.30 123.44 2ckj s MET 54 Ca 0.34 -0.32 -0.26 0.00 -1.25 0.00 0.00 55.69 54.21 2ckj s MET 54 Cb 0.02 -1.70 0.01 0.00 2.84 0.00 0.00 34.83 35.99 2ckj s MET 54 CO 0.24 -0.34 0.90 -0.51 -0.65 0.00 0.00 175.02 174.66 2ckj s LEU 55 N 1.71 4.04 -0.10 4.11 1.43 -0.68 -0.73 118.68 128.46 2ckj s LEU 55 Ca 0.03 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2ckj s LEU 55 Cb -0.14 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 2ckj s LEU 55 CO -0.08 -0.68 -0.13 -0.44 0.23 0.00 0.00 176.35 175.25 2ckj s SER 56 N 1.54 4.04 0.12 2.29 0.01 0.11 -1.40 113.70 120.40 2ckj s SER 56 Ca 0.38 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 2ckj s SER 56 Cb -0.14 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2ckj s SER 56 CO 0.12 0.23 0.15 -1.59 0.41 0.00 0.00 173.24 172.56 2ckj s LYS 57 N -0.04 0.93 -0.16 12.44 -2.85 -0.83 -0.80 119.74 128.43 2ckj s LYS 57 Ca -0.03 -1.18 -0.14 0.00 -1.00 0.00 0.00 55.97 53.62 2ckj s LYS 57 Cb -0.14 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.89 2ckj s LYS 57 CO 0.04 -0.29 0.28 -0.47 0.10 0.00 0.00 175.35 175.01 2ckj s TYR 58 N -3.95 3.46 -0.07 1.78 5.04 -1.26 -2.08 117.35 120.26 2ckj s TYR 58 Ca 0.14 0.58 -0.27 0.00 -2.44 0.00 0.00 57.07 55.07 2ckj s TYR 58 Cb 0.05 -2.33 -0.23 0.00 0.35 0.00 0.00 41.96 39.80 2ckj s TYR 58 CO -0.04 0.24 1.03 0.22 -1.34 0.00 0.00 175.55 175.66 2ckj h ASP 59 N 6.68 0.03 0.00 4.32 1.82 -1.69 -3.48 116.42 124.10 2ckj h ASP 59 Ca -0.41 -0.74 0.00 0.00 -0.39 0.00 0.00 57.03 55.49 2ckj h ASP 59 Cb 1.16 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.16 2ckj h ASP 59 CO 0.76 0.77 0.00 -1.14 -1.61 0.00 0.00 179.24 178.01 2ckj n ARG 60 N -4.71 0.00 0.02 0.28 0.63 -1.26 -4.60 116.66 107.03 2ckj n ARG 60 Ca -0.09 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.65 2ckj n ARG 60 Cb 0.38 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.15 2ckj n ARG 60 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2ckj h LEU 61 N 0.00 0.37 -3.42 6.15 7.12 -1.97 -3.33 115.31 120.23 2ckj h LEU 61 Ca 0.00 -0.95 -0.20 0.00 0.13 0.00 0.00 57.88 56.86 2ckj h LEU 61 Cb 0.00 -0.12 -0.12 0.00 -0.53 0.00 0.00 40.66 39.89 2ckj h LEU 61 CO 0.00 1.34 0.01 0.00 -0.13 0.00 0.00 178.44 179.66 2ckj n GLN 62 N -4.20 2.02 -2.60 1.25 6.02 -1.26 -5.02 117.38 113.59 2ckj n GLN 62 Ca -0.14 -3.13 -0.03 0.00 -0.01 0.00 0.00 57.00 53.69 2ckj n GLN 62 Cb 0.77 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 30.16 2ckj n GLN 62 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ckj n ASN 63 N -1.05 -0.52 -3.95 1.08 2.85 -1.25 -4.89 115.26 107.53 2ckj n ASN 63 Ca 0.35 -0.10 -0.08 0.00 -0.11 0.00 0.00 54.58 54.63 2ckj n ASN 63 Cb 1.09 -0.17 -0.08 0.00 1.24 0.00 0.00 39.78 41.86 2ckj n ASN 63 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2ckj s LYS 64 N -2.27 0.81 -0.20 1.20 2.36 -1.26 -4.91 119.74 115.48 2ckj s LYS 64 Ca 0.00 -1.09 -0.04 0.00 -2.55 0.00 0.00 55.97 52.30 2ckj s LYS 64 Cb -0.00 0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 37.06 2ckj s LYS 64 CO 0.10 -0.23 -0.04 0.42 1.55 0.00 0.00 175.35 177.14 2ckj s ILE 65 N -3.90 3.54 0.10 5.43 1.01 -1.26 -1.69 121.20 124.43 2ckj s ILE 65 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2ckj s ILE 65 Cb 0.06 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2ckj s ILE 65 CO -0.09 0.44 0.10 0.68 0.00 0.00 0.00 174.94 176.07 2ckj s VAL 66 N 1.14 4.54 -0.15 2.92 -7.23 -0.88 -4.96 120.40 115.78 2ckj s VAL 66 Ca 0.02 -0.84 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2ckj s VAL 66 Cb -0.15 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.57 2ckj s VAL 66 CO -0.00 0.07 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.72 2ckj s HIS 67 N -1.48 2.81 0.28 2.82 3.76 -1.26 -1.96 115.29 120.26 2ckj s HIS 67 Ca 0.30 -0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 2ckj s HIS 67 Cb -0.12 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2ckj s HIS 67 CO 0.22 -0.36 0.36 -0.59 -0.85 0.00 0.00 174.74 173.53 2ckj s PHE 68 N 0.65 1.02 0.26 1.40 -0.12 -0.49 -4.98 117.98 115.72 2ckj s PHE 68 Ca -0.07 -1.24 0.07 0.00 -0.05 0.00 0.00 56.93 55.64 2ckj s PHE 68 Cb -0.16 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 2ckj s PHE 68 CO 0.02 -0.94 0.23 -1.54 -0.05 0.00 0.00 175.22 172.94 2ckj s SER 69 N -3.19 5.65 -0.05 1.98 1.04 -1.26 -1.69 113.70 116.18 2ckj s SER 69 Ca 0.32 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 2ckj s SER 69 Cb 0.02 -1.45 0.11 0.00 0.10 0.00 0.00 66.02 64.79 2ckj s SER 69 CO 0.17 -0.07 0.95 0.00 0.98 0.00 0.00 173.24 175.27 2ckj s ALA 70 N -2.12 -1.88 -0.13 5.32 0.00 -1.05 -4.56 121.76 117.35 2ckj s ALA 70 Ca 0.34 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 2ckj s ALA 70 Cb -0.08 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2ckj s ALA 70 CO 0.26 -0.63 -0.07 0.54 0.00 0.00 0.00 175.76 175.86 2ckj s ASN 71 N -2.28 4.55 0.00 0.00 6.03 -1.25 -2.29 114.94 119.69 2ckj s ASN 71 Ca 0.05 -0.17 0.26 0.00 -1.03 0.00 0.00 52.86 51.98 2ckj s ASN 71 Cb -0.01 -1.62 0.74 0.00 -3.03 0.00 0.00 41.25 37.32 2ckj s ASN 71 CO -0.07 0.20 1.56 0.00 -2.03 0.00 0.00 177.10 176.77 2ckj n ALA 72 N 3.29 2.66 1.87 3.54 0.00 0.55 -2.82 120.51 129.61 2ckj n ALA 72 Ca -0.18 -0.51 0.14 0.00 0.00 0.00 0.00 53.44 52.89 2ckj n ALA 72 Cb 0.53 -1.05 0.81 0.00 0.00 0.00 0.00 19.45 19.74 2ckj n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n LEU 74 N -0.96 0.00 -4.53 0.00 4.77 -1.13 -4.89 117.00 110.27 2ckj n LEU 74 Ca 0.21 -0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 2ckj n LEU 74 Cb 0.09 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 2ckj n LEU 74 CO 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 176.09 2ckj s ALA 75 N -0.33 3.50 0.46 -1.18 0.00 -1.24 -4.87 121.76 118.10 2ckj s ALA 75 Ca 0.00 -1.38 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2ckj s ALA 75 Cb 0.00 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.39 2ckj s ALA 75 CO 0.00 -0.97 1.30 -1.25 0.00 0.00 0.00 175.76 174.85 2ckj s PRO 76 N 1.72 3.66 0.45 0.00 0.04 -1.26 -0.27 135.00 139.33 2ckj s PRO 76 Ca 0.06 2.13 0.23 0.00 0.04 0.00 0.00 61.00 63.46 2ckj s PRO 76 Cb -0.17 -2.53 1.00 0.00 0.04 0.00 0.00 34.50 32.83 2ckj s PRO 76 CO 0.10 -0.74 1.87 -0.84 0.04 0.00 0.00 177.00 177.43 2ckj h ILE 77 N 2.03 0.65 0.00 0.56 3.07 -1.76 -2.36 117.51 119.71 2ckj h ILE 77 Ca -0.50 -1.06 0.00 0.00 1.55 0.00 0.00 64.86 64.85 2ckj h ILE 77 Cb 1.26 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2ckj h ILE 77 CO 0.60 0.23 0.02 0.00 -1.05 0.00 0.00 178.15 177.95 2ckj h SER 79 N 0.00 0.00 -0.10 0.00 4.64 -1.81 -3.35 113.55 112.94 2ckj h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ckj h SER 79 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2ckj h SER 79 CO 0.00 0.43 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 2ckj n LEU 80 N -3.54 1.81 -4.68 5.97 4.77 -0.11 -4.94 117.00 116.29 2ckj n LEU 80 Ca -0.00 -0.91 -0.48 0.00 -0.03 0.00 0.00 56.01 54.59 2ckj n LEU 80 Cb 0.55 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2ckj n LEU 80 CO 0.38 0.31 1.49 1.57 -1.33 0.00 0.00 177.39 179.82 2ckj n HIS 81 N 0.11 2.35 -1.17 -1.77 -0.00 -1.26 -2.48 115.22 111.00 2ckj n HIS 81 Ca 0.05 -0.03 -0.06 0.00 0.46 0.00 0.00 57.72 58.14 2ckj n HIS 81 Cb 0.41 -2.67 -0.02 0.00 -0.12 0.00 0.00 29.99 27.58 2ckj n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ckj n HIS 82 N 6.62 0.00 -3.57 1.57 8.25 0.31 -5.02 115.22 123.38 2ckj n HIS 82 Ca 0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 2ckj n HIS 82 Cb 0.30 -1.37 -0.03 0.00 1.12 0.00 0.00 29.99 30.01 2ckj n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ckj s VAL 83 N -2.14 5.13 -0.06 1.59 1.01 -1.03 -4.74 120.40 120.16 2ckj s VAL 83 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2ckj s VAL 83 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2ckj s VAL 83 CO 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 175.10 174.67 2ckj s ALA 84 N -1.90 2.20 -0.17 5.51 0.00 0.02 -1.66 121.76 125.75 2ckj s ALA 84 Ca 0.41 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 2ckj s ALA 84 Cb -0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2ckj s ALA 84 CO 0.28 0.42 -0.03 0.08 0.00 0.00 0.00 175.76 176.52 2ckj s VAL 85 N -0.20 3.82 -0.04 0.00 1.01 0.12 -0.72 120.40 124.40 2ckj s VAL 85 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2ckj s VAL 85 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2ckj s VAL 85 CO 0.03 0.47 0.04 -0.89 0.00 0.00 0.00 175.10 174.75 2ckj s THR 86 N 0.63 4.52 0.50 3.92 2.01 0.09 0.56 115.64 127.87 2ckj s THR 86 Ca -0.02 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2ckj s THR 86 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2ckj s THR 86 CO 0.02 0.47 0.04 0.28 -0.69 0.00 0.00 174.62 174.74 2ckj s THR 87 N -1.05 0.90 0.08 -0.82 -1.32 -1.26 -1.23 115.64 110.94 2ckj s THR 87 Ca 0.18 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.43 2ckj s THR 87 Cb -0.12 -2.10 -0.14 0.00 -1.51 0.00 0.00 72.50 68.64 2ckj s THR 87 CO 0.08 0.00 1.66 1.62 -2.21 0.00 0.00 174.62 175.78 2ckj h VAL 88 N 1.40 1.08 0.00 5.08 3.04 -1.90 -2.84 116.25 122.12 2ckj h VAL 88 Ca -0.41 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2ckj h VAL 88 Cb 1.31 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2ckj h VAL 88 CO 0.68 0.07 0.00 -1.84 -1.01 0.00 0.00 177.57 175.47 2ckj n GLU 89 N -5.00 0.81 0.12 4.17 0.00 -1.26 -2.66 120.64 116.81 2ckj n GLU 89 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.19 2ckj n GLU 89 Cb 0.07 -1.22 0.02 0.00 0.00 0.00 0.00 31.44 30.32 2ckj n GLU 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2ckj h GLY 90 N 4.53 0.00 -0.06 -1.84 0.00 -1.88 -3.41 103.07 100.41 2ckj h GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ckj h GLY 90 CO 0.00 0.00 -0.86 0.29 0.00 0.00 0.00 176.54 175.97 2ckj n ILE 91 N -2.82 0.00 0.00 2.60 -5.35 -1.09 -4.94 119.36 107.76 2ckj n ILE 91 Ca -0.00 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2ckj n ILE 91 Cb 0.59 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 2ckj n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ckj n GLY 92 N 1.44 2.56 3.47 3.28 0.00 -1.26 -4.28 105.19 110.39 2ckj n GLY 92 Ca 0.04 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 2ckj n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 93 N 0.00 -0.60 0.51 1.61 1.04 -0.42 -4.76 113.70 111.08 2ckj s SER 93 Ca 0.00 0.31 0.34 0.00 0.48 0.00 0.00 55.95 57.08 2ckj s SER 93 Cb 0.00 0.56 1.59 0.00 0.10 0.00 0.00 66.02 68.27 2ckj s SER 93 CO 0.00 -0.79 2.02 0.71 0.98 0.00 0.00 173.24 176.15 2ckj h THR 94 N 2.44 0.00 -0.21 2.02 1.35 -1.92 -0.11 112.91 116.49 2ckj h THR 94 Ca -0.30 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2ckj h THR 94 Cb 1.23 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2ckj h THR 94 CO 0.38 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.94 2ckj n LYS 95 N -2.85 1.63 0.00 4.72 4.01 -1.26 -4.82 118.16 119.58 2ckj n LYS 95 Ca -0.00 -0.97 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 2ckj n LYS 95 Cb 0.20 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 2ckj n LYS 95 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2ckj n THR 96 N 0.22 0.00 -4.01 -0.18 -2.24 -0.19 -5.14 114.28 102.75 2ckj n THR 96 Ca 0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.75 2ckj n THR 96 Cb 0.27 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 2ckj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 97 N 0.00 0.31 0.51 -0.78 1.81 -0.37 -4.94 118.95 115.48 2ckj s ARG 97 Ca 0.00 -0.04 -0.20 0.00 -1.72 0.00 0.00 55.73 53.77 2ckj s ARG 97 Cb 0.00 -0.38 -0.07 0.00 -0.45 0.00 0.00 34.95 34.05 2ckj s ARG 97 CO 0.00 -0.02 1.10 -0.51 -0.68 0.00 0.00 175.30 175.19 2ckj s LEU 98 N 0.42 3.83 0.13 2.53 1.43 -1.23 -1.30 118.68 124.50 2ckj s LEU 98 Ca -0.04 2.11 -0.24 0.00 -1.03 0.00 0.00 54.13 54.92 2ckj s LEU 98 Cb -0.07 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.56 2ckj s LEU 98 CO -0.01 -1.01 0.74 -2.28 0.23 0.00 0.00 176.35 174.02 2ckj s HIS 99 N -1.80 3.87 0.49 0.29 5.65 -1.26 -4.82 115.29 117.70 2ckj s HIS 99 Ca 0.69 1.55 0.38 0.00 0.25 0.00 0.00 55.06 57.93 2ckj s HIS 99 Cb -0.22 -2.73 1.55 0.00 -1.18 0.00 0.00 32.58 30.00 2ckj s HIS 99 CO 0.26 0.49 1.62 -1.00 -0.65 0.00 0.00 174.74 175.46 2ckj h PRO 100 N 4.56 0.04 -0.11 2.88 0.13 -1.94 0.38 132.00 137.94 2ckj h PRO 100 Ca -0.47 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2ckj h PRO 100 Cb 1.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ckj h PRO 100 CO 0.66 0.03 0.09 0.28 -0.23 0.00 0.00 178.00 178.83 2ckj h VAL 101 N 0.04 0.78 -0.01 1.56 2.07 -1.95 -2.57 116.25 116.18 2ckj h VAL 101 Ca 0.84 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 68.27 2ckj h VAL 101 Cb 2.98 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 33.69 2ckj h VAL 101 CO -0.25 0.00 -0.37 1.56 0.02 0.00 0.00 177.57 178.54 2ckj h GLN 102 N 0.00 0.26 0.00 1.57 4.20 -0.63 -3.28 115.11 117.23 2ckj h GLN 102 Ca 0.05 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 2ckj h GLN 102 Cb 0.24 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2ckj h GLN 102 CO -0.00 0.98 -0.73 1.05 -0.67 0.00 0.00 178.83 179.46 2ckj h GLU 103 N -0.35 0.00 -0.01 1.46 4.11 -1.14 -3.20 114.58 115.44 2ckj h GLU 103 Ca -0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.18 2ckj h GLU 103 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ckj h GLU 103 CO 0.07 0.73 -0.88 0.00 0.07 0.00 0.00 179.01 179.01 2ckj h ARG 104 N 0.00 0.34 0.00 1.06 3.08 -1.58 -1.85 114.38 115.43 2ckj h ARG 104 Ca -0.01 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 2ckj h ARG 104 Cb 1.31 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2ckj h ARG 104 CO 0.10 1.03 -0.42 0.97 -1.07 0.00 0.00 179.97 180.57 2ckj h ILE 105 N 0.20 1.09 -0.03 2.04 2.10 -1.64 -2.60 117.51 118.67 2ckj h ILE 105 Ca -0.06 -1.57 -0.06 0.00 1.08 0.00 0.00 64.86 64.25 2ckj h ILE 105 Cb 1.50 1.90 0.00 0.00 -1.09 0.00 0.00 36.82 39.13 2ckj h ILE 105 CO 0.15 0.41 -0.23 0.00 -1.08 0.00 0.00 178.15 177.40 2ckj h ALA 106 N 1.58 0.07 -0.00 0.18 0.00 -1.51 -2.56 119.26 117.02 2ckj h ALA 106 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ckj h ALA 106 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ckj h ALA 106 CO 0.06 0.08 -0.04 1.63 0.00 0.00 0.00 179.25 180.98 2ckj n LYS 107 N -4.52 0.26 -0.44 0.00 5.02 -0.71 -3.35 118.16 114.42 2ckj n LYS 107 Ca -0.09 -0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2ckj n LYS 107 Cb 0.47 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.25 2ckj n LYS 107 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ckj n SER 108 N -1.35 3.97 -1.51 4.39 3.41 -0.99 -4.87 113.62 116.68 2ckj n SER 108 Ca 0.11 -2.50 -0.09 0.00 -0.26 0.00 0.00 58.87 56.14 2ckj n SER 108 Cb 0.29 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2ckj n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ckj n HIS 109 N 0.44 -0.95 -0.71 7.33 8.25 -1.21 -4.86 115.22 123.50 2ckj n HIS 109 Ca 0.20 0.31 0.08 0.00 -0.26 0.00 0.00 57.72 58.06 2ckj n HIS 109 Cb 0.76 -2.41 0.33 0.00 1.12 0.00 0.00 29.99 29.78 2ckj n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ckj n GLY 110 N -1.05 3.09 2.87 -1.41 0.00 -0.96 -4.70 105.19 103.04 2ckj n GLY 110 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 2ckj n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 111 N -1.12 0.66 0.00 1.61 0.15 -1.26 -4.87 113.70 108.87 2ckj s SER 111 Ca 0.47 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2ckj s SER 111 Cb 0.33 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 2ckj s SER 111 CO 0.19 -0.34 0.00 0.00 1.20 0.00 0.00 173.24 174.28 2ckj n GLN 112 N 5.15 0.00 -0.28 5.44 6.02 -1.26 -4.82 117.38 127.63 2ckj n GLN 112 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2ckj n GLN 112 Cb 0.48 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.94 2ckj n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ckj n GLY 114 N -1.40 0.77 0.12 0.00 0.00 -1.26 -4.67 105.19 98.75 2ckj n GLY 114 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2ckj n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ckj h PHE 115 N 0.00 0.55 -0.00 1.61 3.57 -1.91 -3.14 116.94 117.61 2ckj h PHE 115 Ca 0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2ckj h PHE 115 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ckj h PHE 115 CO 0.00 1.44 -0.01 0.00 -2.23 0.00 0.00 178.31 177.51 2ckj h THR 117 N 0.62 0.24 -0.59 0.00 2.02 -1.88 -2.87 112.91 110.45 2ckj h THR 117 Ca 0.00 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 67.14 2ckj h THR 117 Cb 0.17 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 2ckj h THR 117 CO 0.00 0.02 -0.06 -0.65 0.37 0.00 0.00 175.52 175.20 2ckj h PRO 118 N -1.06 0.07 -0.72 6.66 0.11 -1.78 -0.19 132.00 135.08 2ckj h PRO 118 Ca -0.10 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.14 2ckj h PRO 118 Cb 0.75 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.71 2ckj h PRO 118 CO 0.16 0.04 -0.28 0.78 -0.21 0.00 0.00 178.00 178.49 2ckj h GLY 119 N 0.07 0.20 1.10 -0.55 0.00 -1.78 -1.07 103.07 101.03 2ckj h GLY 119 Ca 0.30 0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.90 2ckj h GLY 119 CO -0.55 -0.24 0.01 -2.22 0.00 0.00 0.00 176.54 173.54 2ckj h ILE 120 N -0.07 1.27 -0.77 2.60 2.04 -1.16 -2.44 117.51 118.97 2ckj h ILE 120 Ca 0.31 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 65.11 2ckj h ILE 120 Cb 0.56 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2ckj h ILE 120 CO -0.77 0.42 0.43 0.58 0.00 0.00 0.00 178.15 178.80 2ckj h VAL 121 N 0.99 0.90 -0.03 1.67 2.07 -0.12 -1.91 116.25 119.81 2ckj h VAL 121 Ca 0.18 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 2ckj h VAL 121 Cb 0.55 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2ckj h VAL 121 CO 0.03 0.13 -0.69 0.24 0.02 0.00 0.00 177.57 177.31 2ckj h MET 122 N 0.72 0.17 0.24 1.57 2.86 -1.12 0.26 114.93 119.63 2ckj h MET 122 Ca 0.37 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2ckj h MET 122 Cb 0.35 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2ckj h MET 122 CO -0.25 0.79 -0.24 0.77 1.06 0.00 0.00 176.91 179.04 2ckj h SER 123 N 0.12 -0.65 0.32 1.22 0.02 -0.87 -0.37 113.55 113.34 2ckj h SER 123 Ca -0.02 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2ckj h SER 123 Cb 1.22 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.96 2ckj h SER 123 CO 0.10 -0.35 -0.46 -0.03 -1.14 0.00 0.00 176.83 174.95 2ckj h MET 124 N -0.51 -0.79 -0.99 3.45 -1.53 -1.42 -2.93 114.93 110.20 2ckj h MET 124 Ca -0.00 0.05 0.40 0.00 -3.44 0.00 0.00 59.70 56.71 2ckj h MET 124 Cb 0.48 0.18 -0.18 0.00 -0.55 0.00 0.00 31.60 31.53 2ckj h MET 124 CO -0.06 -0.52 0.47 0.98 0.14 0.00 0.00 176.91 177.92 2ckj n TYR 125 N -5.15 1.10 0.05 1.39 9.36 0.08 -1.58 117.16 122.41 2ckj n TYR 125 Ca -0.10 1.18 -0.11 0.00 3.32 0.00 0.00 57.90 62.20 2ckj n TYR 125 Cb 0.40 -1.53 0.01 0.00 -0.63 0.00 0.00 39.34 37.58 2ckj n TYR 125 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2ckj h THR 126 N 0.00 1.39 -0.98 2.97 2.02 -0.98 -3.04 112.91 114.29 2ckj h THR 126 Ca 0.82 -2.21 0.14 0.00 0.77 0.00 0.00 66.41 65.92 2ckj h THR 126 Cb 2.12 2.18 -0.09 0.00 -1.74 0.00 0.00 68.15 70.62 2ckj h THR 126 CO -0.79 0.66 0.60 0.25 0.37 0.00 0.00 175.52 176.62 2ckj h LEU 127 N 0.26 0.84 0.00 2.58 5.85 -1.11 -1.86 115.31 121.88 2ckj h LEU 127 Ca -0.04 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2ckj h LEU 127 Cb 1.36 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2ckj h LEU 127 CO 0.13 0.40 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.18 2ckj h LEU 128 N 0.88 0.00 0.00 2.25 3.38 -1.46 -2.68 115.31 117.68 2ckj h LEU 128 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2ckj h LEU 128 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ckj h LEU 128 CO -0.31 0.24 -0.26 -1.14 0.09 0.00 0.00 178.44 177.06 2ckj n ARG 129 N -3.10 0.10 -0.00 1.13 3.00 -0.72 -3.43 116.66 113.62 2ckj n ARG 129 Ca 0.02 0.05 0.11 0.00 -0.00 0.00 0.00 57.85 58.03 2ckj n ARG 129 Cb 0.64 -1.59 -0.15 0.00 0.00 0.00 0.00 32.46 31.36 2ckj n ARG 129 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ckj n ASN 130 N -1.75 0.25 -3.08 6.15 3.02 -1.05 -4.87 115.26 113.94 2ckj n ASN 130 Ca 0.06 -0.21 0.03 0.00 -0.03 0.00 0.00 54.58 54.42 2ckj n ASN 130 Cb 0.37 1.71 -0.00 0.00 -0.61 0.00 0.00 39.78 41.25 2ckj n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 131 N -3.40 0.44 0.00 3.52 2.00 -1.04 -5.04 119.66 116.15 2ckj s GLN 131 Ca -0.04 0.09 0.27 0.00 -2.00 0.00 0.00 55.36 53.68 2ckj s GLN 131 Cb 0.14 0.11 0.90 0.00 0.80 0.00 0.00 33.01 34.97 2ckj s GLN 131 CO 0.90 -0.71 1.67 -0.35 -0.50 0.00 0.00 175.29 176.29 2ckj n PRO 132 N 4.67 0.34 -3.36 1.67 -0.04 -1.25 -4.04 135.00 132.99 2ckj n PRO 132 Ca 0.08 -0.15 -0.24 0.00 -0.04 0.00 0.00 63.50 63.15 2ckj n PRO 132 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 2ckj n PRO 132 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ckj s GLU 133 N -2.77 0.76 0.86 0.54 2.12 -1.26 -5.00 118.70 113.95 2ckj s GLU 133 Ca 0.19 -1.55 -0.11 0.00 0.36 0.00 0.00 54.97 53.87 2ckj s GLU 133 Cb 0.19 -1.13 0.19 0.00 0.26 0.00 0.00 34.13 33.64 2ckj s GLU 133 CO 0.57 -1.29 1.17 -0.35 -0.54 0.00 0.00 175.26 174.82 2ckj n PRO 134 N 3.49 -0.87 -4.14 4.30 -0.04 -1.26 -4.74 135.00 131.73 2ckj n PRO 134 Ca 0.20 -2.18 -0.33 0.00 -0.04 0.00 0.00 63.50 61.15 2ckj n PRO 134 Cb 0.45 -1.09 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 2ckj n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ckj s THR 135 N -3.52 4.56 0.43 0.52 -4.23 -1.26 -3.22 115.64 108.93 2ckj s THR 135 Ca 0.69 -0.49 0.13 0.00 -1.18 0.00 0.00 61.69 60.85 2ckj s THR 135 Cb -0.02 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 71.06 2ckj s THR 135 CO 0.48 0.34 1.99 0.24 -0.54 0.00 0.00 174.62 177.13 2ckj h MET 136 N 4.10 0.40 -0.67 3.99 2.86 -1.94 0.21 114.93 123.87 2ckj h MET 136 Ca -0.49 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.25 2ckj h MET 136 Cb 1.18 -0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.66 2ckj h MET 136 CO 0.61 0.26 0.23 1.49 1.06 0.00 0.00 176.91 180.56 2ckj h GLU 137 N 0.41 0.37 -0.02 1.72 4.81 -1.99 -2.58 114.58 117.30 2ckj h GLU 137 Ca 0.26 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2ckj h GLU 137 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2ckj h GLU 137 CO -0.07 0.24 -0.22 0.93 -0.73 0.00 0.00 179.01 179.16 2ckj h GLU 138 N 0.38 0.03 0.00 1.92 5.08 -0.97 -2.48 114.58 118.54 2ckj h GLU 138 Ca 0.36 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 2ckj h GLU 138 Cb 0.51 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2ckj h GLU 138 CO -0.38 0.25 -0.58 0.82 -1.00 0.00 0.00 179.01 178.13 2ckj h ILE 139 N 0.03 1.00 0.00 3.13 2.04 -1.45 -3.14 117.51 119.12 2ckj h ILE 139 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2ckj h ILE 139 Cb 0.41 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2ckj h ILE 139 CO 0.03 0.57 0.00 1.21 0.00 0.00 0.00 178.15 179.96 2ckj n GLU 140 N -3.26 0.00 0.00 2.37 4.07 -0.93 -2.75 120.64 120.14 2ckj n GLU 140 Ca 0.02 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2ckj n GLU 140 Cb 0.76 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 2ckj n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ckj n ASN 141 N -0.95 0.00 0.08 4.31 2.85 -1.25 -4.47 115.26 115.84 2ckj n ASN 141 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 2ckj n ASN 141 Cb 0.00 0.00 0.39 0.00 1.24 0.00 0.00 39.78 41.41 2ckj n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckj n ALA 142 N 0.00 1.45 -0.43 5.20 0.00 -1.11 -4.05 120.51 121.58 2ckj n ALA 142 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.57 2ckj n ALA 142 Cb 0.00 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.38 2ckj n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ckj n PHE 143 N -1.94 0.71 0.12 0.00 3.72 -1.26 -4.07 117.46 114.74 2ckj n PHE 143 Ca 0.02 -0.60 0.04 0.00 -0.05 0.00 0.00 57.45 56.86 2ckj n PHE 143 Cb 0.14 -0.12 0.46 0.00 -0.94 0.00 0.00 39.48 39.03 2ckj n PHE 143 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2ckj h GLN 144 N 2.30 0.27 0.00 -1.08 4.20 -1.86 -2.74 115.11 116.19 2ckj h GLN 144 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ckj h GLN 144 Cb 0.99 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2ckj h GLN 144 CO 0.08 0.28 0.00 0.41 -0.67 0.00 0.00 178.83 178.93 2ckj n GLY 145 N -1.20 -1.12 2.98 3.46 0.00 -1.26 -4.77 105.19 103.29 2ckj n GLY 145 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2ckj n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 146 N -2.95 1.17 -0.03 1.61 -0.87 -1.04 -2.01 114.94 110.82 2ckj s ASN 146 Ca 0.10 -0.18 0.07 0.00 -1.57 0.00 0.00 52.86 51.29 2ckj s ASN 146 Cb 0.12 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.25 40.98 2ckj s ASN 146 CO 0.34 0.05 -0.25 -0.76 -2.57 0.00 0.00 177.10 173.90 2ckj s LEU 147 N 0.30 2.09 0.04 0.60 1.43 -1.18 -4.66 118.68 117.29 2ckj s LEU 147 Ca -0.05 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2ckj s LEU 147 Cb -0.09 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2ckj s LEU 147 CO 0.01 0.31 -0.22 0.00 0.23 0.00 0.00 176.35 176.67 2ckj n ARG 149 N 1.86 0.65 0.07 0.00 3.00 -1.26 -4.66 116.66 116.33 2ckj n ARG 149 Ca -0.17 0.06 0.11 0.00 -0.00 0.00 0.00 57.85 57.85 2ckj n ARG 149 Cb 0.53 -1.64 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 2ckj n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ckj n THR 151 N -2.58 0.00 -2.05 0.00 -2.24 -1.26 -4.37 114.28 101.78 2ckj n THR 151 Ca -0.01 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2ckj n THR 151 Cb 0.56 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 2ckj n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 152 N 1.56 0.24 4.06 3.38 0.00 -1.26 -4.27 105.19 108.90 2ckj n GLY 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ckj n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ckj n TYR 153 N -2.98 0.00 -0.06 1.61 0.53 -1.26 -4.77 117.16 110.23 2ckj n TYR 153 Ca -0.17 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.61 2ckj n TYR 153 Cb 0.58 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.85 2ckj n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2ckj h ARG 154 N 0.00 -0.37 -0.76 -0.72 2.43 -1.99 0.17 114.38 113.15 2ckj h ARG 154 Ca 0.00 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 2ckj h ARG 154 Cb 0.00 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2ckj h ARG 154 CO 0.00 -0.25 0.51 -1.00 -1.51 0.00 0.00 179.97 177.72 2ckj h PRO 155 N -0.38 0.34 0.97 0.20 0.13 -1.86 -1.70 132.00 129.69 2ckj h PRO 155 Ca 0.12 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2ckj h PRO 155 Cb 0.58 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2ckj h PRO 155 CO -0.47 0.22 -0.47 0.82 -0.23 0.00 0.00 178.00 177.88 2ckj h ILE 156 N 0.35 0.00 -0.22 -3.56 2.04 -1.29 -0.36 117.51 114.47 2ckj h ILE 156 Ca 0.37 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.19 2ckj h ILE 156 Cb 0.95 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2ckj h ILE 156 CO -0.11 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.10 2ckj h LEU 157 N -1.35 0.25 0.09 1.44 3.38 -1.39 -0.56 115.31 117.17 2ckj h LEU 157 Ca -0.13 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.55 2ckj h LEU 157 Cb 1.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2ckj h LEU 157 CO 0.22 0.19 -1.38 -0.61 0.09 0.00 0.00 178.44 176.95 2ckj h GLN 158 N 0.29 0.19 0.36 1.13 4.15 -1.20 0.67 115.11 120.70 2ckj h GLN 158 Ca 0.08 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 2ckj h GLN 158 Cb -0.02 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2ckj h GLN 158 CO -0.02 1.07 -0.17 0.78 -1.93 0.00 0.00 178.83 178.56 2ckj h GLY 159 N 2.04 -0.50 2.00 2.39 0.00 -0.90 -3.26 103.07 104.83 2ckj h GLY 159 Ca -0.18 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ckj h GLY 159 CO 0.16 -0.18 0.00 0.74 0.00 0.00 0.00 176.54 177.26 2ckj h PHE 160 N -0.51 0.00 -0.87 5.60 0.04 -0.97 -3.26 116.94 116.97 2ckj h PHE 160 Ca -0.05 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.95 2ckj h PHE 160 Cb 0.38 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.39 2ckj h PHE 160 CO -0.04 0.00 0.14 0.07 -0.60 0.00 0.00 178.31 177.87 2ckj h ARG 161 N 0.00 0.13 -0.83 1.51 0.11 0.32 0.11 114.38 115.73 2ckj h ARG 161 Ca 0.00 -0.01 0.26 0.00 0.10 0.00 0.00 59.98 60.33 2ckj h ARG 161 Cb 0.75 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.74 2ckj h ARG 161 CO 0.00 0.09 0.57 -2.37 0.10 0.00 0.00 179.97 178.36 2ckj n THR 162 N -5.31 -0.06 1.00 0.08 5.66 -1.23 -2.09 114.28 112.33 2ckj n THR 162 Ca 0.20 0.81 0.04 0.00 -3.05 0.00 0.00 64.05 62.05 2ckj n THR 162 Cb 0.65 -1.35 0.12 0.00 -1.55 0.00 0.00 70.33 68.20 2ckj n THR 162 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2ckj n PHE 163 N -3.30 0.43 -3.66 1.09 3.01 0.38 -4.92 117.46 110.49 2ckj n PHE 163 Ca 0.21 -0.19 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 2ckj n PHE 163 Cb 0.89 -0.05 -0.17 0.00 -0.01 0.00 0.00 39.48 40.14 2ckj n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ckj s ALA 164 N -1.64 0.39 0.00 4.37 0.00 -0.89 -4.41 121.76 119.58 2ckj s ALA 164 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2ckj s ALA 164 Cb 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2ckj s ALA 164 CO 0.11 -0.81 0.00 0.54 0.00 0.00 0.00 175.76 175.60 2ckj n ARG 165 N 5.26 0.00 0.00 0.00 1.74 -1.20 -4.78 116.66 117.69 2ckj n ARG 165 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2ckj n ARG 165 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2ckj n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ckj n PRO 193 N -0.01 0.00 -0.89 5.56 -0.04 -1.26 -4.71 135.00 133.65 2ckj n PRO 193 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2ckj n PRO 193 Cb 0.00 -0.17 0.17 0.00 -0.04 0.00 0.00 33.50 33.46 2ckj n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ckj s SER 194 N 0.00 2.86 0.10 3.54 0.15 -1.26 -4.81 113.70 114.28 2ckj s SER 194 Ca 0.00 1.78 0.16 0.00 0.70 0.00 0.00 55.95 58.59 2ckj s SER 194 Cb 0.00 -2.39 -0.11 0.00 -1.71 0.00 0.00 66.02 61.82 2ckj s SER 194 CO 0.00 -3.07 0.96 -0.07 1.20 0.00 0.00 173.24 172.26 2ckj h LEU 195 N -1.84 0.00 -7.00 3.45 3.38 -1.97 -3.50 115.31 107.83 2ckj h LEU 195 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2ckj h LEU 195 Cb 1.28 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.83 2ckj h LEU 195 CO 0.49 0.61 0.26 0.72 0.09 0.00 0.00 178.44 180.60 2ckj s PHE 196 N -2.90 -0.62 -0.48 1.13 -0.12 -1.26 -4.99 117.98 108.73 2ckj s PHE 196 Ca -0.01 1.14 -0.14 0.00 -0.05 0.00 0.00 56.93 57.87 2ckj s PHE 196 Cb 0.08 0.40 0.10 0.00 -0.63 0.00 0.00 43.02 42.97 2ckj s PHE 196 CO 0.80 -0.52 0.40 0.15 -0.05 0.00 0.00 175.22 176.00 2ckj s LYS 197 N -0.93 2.86 0.00 1.99 1.02 -1.26 -4.85 119.74 118.58 2ckj s LYS 197 Ca -0.07 -1.53 0.31 0.00 0.02 0.00 0.00 55.97 54.70 2ckj s LYS 197 Cb -0.01 -4.10 1.69 0.00 -0.52 0.00 0.00 37.83 34.89 2ckj s LYS 197 CO 0.07 -1.13 2.13 -2.30 -0.92 0.00 0.00 175.35 173.20 2ckj n PRO 198 N 5.14 0.73 -0.03 -1.68 -0.02 -1.26 -1.19 135.00 136.69 2ckj n PRO 198 Ca -0.12 -0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.46 2ckj n PRO 198 Cb 0.42 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.89 2ckj n PRO 198 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ckj n GLU 199 N -1.11 1.66 0.00 -0.52 0.00 -1.26 -3.07 120.64 116.33 2ckj n GLU 199 Ca 0.19 -0.97 0.08 0.00 0.00 0.00 0.00 57.16 56.46 2ckj n GLU 199 Cb 0.18 -1.45 -0.03 0.00 0.00 0.00 0.00 31.44 30.15 2ckj n GLU 199 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2ckj n GLU 200 N 0.18 1.75 -1.59 3.44 0.28 -0.33 -5.00 120.64 119.37 2ckj n GLU 200 Ca 0.18 -0.57 -0.42 0.00 -0.16 0.00 0.00 57.16 56.19 2ckj n GLU 200 Cb 0.33 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.95 2ckj n GLU 200 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ckj n PHE 201 N -0.50 1.01 -3.00 -1.84 0.99 -1.18 -4.98 117.46 107.96 2ckj n PHE 201 Ca 0.06 0.60 -0.39 0.00 -0.00 0.00 0.00 57.45 57.71 2ckj n PHE 201 Cb 0.31 -2.21 -0.06 0.00 -1.00 0.00 0.00 39.48 36.52 2ckj n PHE 201 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2ckj s THR 202 N -1.25 4.46 -0.04 4.37 -4.23 -1.26 -5.02 115.64 112.67 2ckj s THR 202 Ca 0.62 1.65 -0.16 0.00 -1.18 0.00 0.00 61.69 62.63 2ckj s THR 202 Cb -0.60 -4.12 -0.32 0.00 1.34 0.00 0.00 72.50 68.81 2ckj s THR 202 CO 0.58 0.50 0.78 -0.65 -0.54 0.00 0.00 174.62 175.29 2ckj h PRO 203 N 4.56 0.39 -0.55 3.99 0.11 -2.01 -3.44 132.00 135.06 2ckj h PRO 203 Ca -0.47 -0.67 0.00 0.00 0.11 0.00 0.00 66.00 64.98 2ckj h PRO 203 Cb 1.21 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.56 2ckj h PRO 203 CO 0.67 1.32 0.00 -0.11 -0.21 0.00 0.00 178.00 179.66 2ckj n LEU 204 N -3.81 -0.44 -3.90 2.35 7.94 -1.26 -5.05 117.00 112.83 2ckj n LEU 204 Ca -0.20 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.40 2ckj n LEU 204 Cb 1.00 -0.22 -0.16 0.00 0.53 0.00 0.00 43.42 44.57 2ckj n LEU 204 CO 0.51 0.00 -0.41 -0.62 -1.11 0.00 0.00 177.39 175.76 2ckj s ASP 205 N 0.00 3.73 0.00 1.96 2.15 -1.26 -5.00 116.67 118.25 2ckj s ASP 205 Ca 0.00 -1.16 0.20 0.00 0.43 0.00 0.00 52.55 52.02 2ckj s ASP 205 Cb 0.00 -1.09 0.69 0.00 -0.30 0.00 0.00 42.92 42.22 2ckj s ASP 205 CO 0.00 -0.26 1.51 -2.65 -0.17 0.00 0.00 175.17 173.61 2ckj n PRO 206 N 4.73 1.75 0.00 4.34 -0.02 -1.26 -2.54 135.00 142.00 2ckj n PRO 206 Ca -0.11 -1.14 0.12 0.00 -2.02 0.00 0.00 63.50 60.36 2ckj n PRO 206 Cb 0.44 -1.38 0.68 0.00 -0.02 0.00 0.00 33.50 33.22 2ckj n PRO 206 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ckj n THR 207 N 0.37 0.13 -0.32 3.45 -2.24 -1.26 -3.93 114.28 110.48 2ckj n THR 207 Ca 0.16 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 2ckj n THR 207 Cb 0.33 -0.63 0.18 0.00 -2.10 0.00 0.00 70.33 68.11 2ckj n THR 207 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2ckj n GLN 208 N -1.16 2.90 -1.85 -0.78 -0.06 -1.05 -5.00 117.38 110.37 2ckj n GLN 208 Ca 0.15 -2.20 -0.29 0.00 -2.00 0.00 0.00 57.00 52.65 2ckj n GLN 208 Cb 0.15 -1.38 0.08 0.00 -4.06 0.00 0.00 30.24 25.03 2ckj n GLN 208 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2ckj s GLU 209 N -1.30 2.16 0.30 3.69 0.41 -1.25 -5.04 118.70 117.66 2ckj s GLU 209 Ca 0.27 0.24 -0.19 0.00 -0.41 0.00 0.00 54.97 54.88 2ckj s GLU 209 Cb 0.16 -1.96 -0.09 0.00 -1.78 0.00 0.00 34.13 30.46 2ckj s GLU 209 CO 0.15 -1.49 0.79 -1.25 -0.49 0.00 0.00 175.26 172.97 2ckj s PRO 210 N -5.48 4.21 0.27 0.39 0.04 -1.26 -5.02 135.00 128.14 2ckj s PRO 210 Ca 0.61 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 2ckj s PRO 210 Cb -0.11 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 2ckj s PRO 210 CO 0.50 0.24 0.80 -1.50 0.04 0.00 0.00 177.00 177.09 2ckj s ILE 211 N -1.78 4.46 -0.10 0.56 -1.16 -1.26 -4.96 121.20 116.96 2ckj s ILE 211 Ca 0.50 1.43 -0.29 0.00 -0.51 0.00 0.00 60.65 61.78 2ckj s ILE 211 Cb -0.14 -3.87 -0.04 0.00 0.61 0.00 0.00 42.46 39.02 2ckj s ILE 211 CO 0.19 0.13 1.58 0.12 -2.81 0.00 0.00 174.94 174.15 2ckj s PHE 212 N -1.62 2.15 0.16 3.50 5.36 -1.26 -4.80 117.98 121.48 2ckj s PHE 212 Ca 0.47 0.39 -0.34 0.00 -0.96 0.00 0.00 56.93 56.49 2ckj s PHE 212 Cb -0.16 -3.84 -0.14 0.00 -0.34 0.00 0.00 43.02 38.53 2ckj s PHE 212 CO 0.21 -3.34 1.56 -2.30 -1.46 0.00 0.00 175.22 169.90 2ckj n PRO 213 N 7.10 2.12 0.02 10.12 -0.02 -1.26 -4.76 135.00 148.31 2ckj n PRO 213 Ca 0.17 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.54 2ckj n PRO 213 Cb 0.43 -2.52 0.54 0.00 -0.02 0.00 0.00 33.50 31.93 2ckj n PRO 213 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ckj n PRO 214 N 3.32 0.05 -0.00 0.52 -0.04 -1.26 -2.80 135.00 134.79 2ckj n PRO 214 Ca 0.17 0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2ckj n PRO 214 Cb 0.29 -1.57 0.04 0.00 -0.04 0.00 0.00 33.50 32.22 2ckj n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ckj h GLU 215 N 0.00 0.59 -7.27 0.54 4.81 -2.00 -3.23 114.58 108.03 2ckj h GLU 215 Ca 0.00 -0.38 -0.46 0.00 -0.13 0.00 0.00 59.36 58.39 2ckj h GLU 215 Cb 0.50 0.05 0.18 0.00 0.63 0.00 0.00 28.75 30.11 2ckj h GLU 215 CO 0.00 0.99 0.15 -0.51 -0.73 0.00 0.00 179.01 178.91 2ckj s LEU 216 N -8.37 1.65 0.00 1.64 1.43 -1.12 -2.93 118.68 110.98 2ckj s LEU 216 Ca -0.08 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2ckj s LEU 216 Cb 0.11 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2ckj s LEU 216 CO 0.85 -3.38 0.00 0.18 0.23 0.00 0.00 176.35 174.22 2ckj n LEU 217 N -4.37 0.00 0.13 1.79 4.77 -1.26 -4.44 117.00 113.62 2ckj n LEU 217 Ca 0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2ckj n LEU 217 Cb 0.55 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.76 2ckj n LEU 217 CO 0.56 0.00 0.44 0.03 -1.33 0.00 0.00 177.39 177.09 2ckj h ARG 218 N 0.00 0.00 0.00 3.23 3.08 -1.54 -3.41 114.38 115.74 2ckj h ARG 218 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ckj h ARG 218 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2ckj h ARG 218 CO 0.00 0.67 0.00 1.28 -1.07 0.00 0.00 179.97 180.85 2ckj n LEU 219 N -3.65 0.00 0.00 3.04 7.99 -1.19 -4.45 117.00 118.74 2ckj n LEU 219 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2ckj n LEU 219 Cb 0.68 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2ckj n LEU 219 CO 0.42 0.00 0.00 2.29 -1.51 0.00 0.00 177.39 178.59 2ckj n LYS 220 N 0.00 0.00 0.00 3.23 2.85 -1.26 -3.38 118.16 119.60 2ckj n LYS 220 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2ckj n LYS 220 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2ckj n LYS 220 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ckj n ASP 221 N 0.00 0.00 -1.52 -5.58 8.00 -1.26 -4.94 116.55 111.25 2ckj n ASP 221 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2ckj n ASP 221 Cb 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 2ckj n ASP 221 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ckj n THR 222 N -1.78 0.00 -1.64 -3.53 -1.04 -1.22 -4.85 114.28 100.22 2ckj n THR 222 Ca 0.00 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.53 2ckj n THR 222 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2ckj n THR 222 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ckj s PRO 223 N 2.22 2.73 0.47 -2.82 0.04 -1.26 -4.99 135.00 131.38 2ckj s PRO 223 Ca 0.31 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 2ckj s PRO 223 Cb -0.20 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2ckj s PRO 223 CO 0.13 -1.20 1.09 -0.98 0.04 0.00 0.00 177.00 176.08 2ckj s ARG 224 N -5.13 3.82 0.24 4.56 1.70 -1.26 -5.06 118.95 117.81 2ckj s ARG 224 Ca 0.59 1.54 0.05 0.00 -0.47 0.00 0.00 55.73 57.43 2ckj s ARG 224 Cb -0.13 -2.28 -0.05 0.00 -0.57 0.00 0.00 34.95 31.92 2ckj s ARG 224 CO 0.54 -0.45 -0.03 -1.59 -1.08 0.00 0.00 175.30 172.69 2ckj s LYS 225 N -2.91 1.38 0.57 3.89 0.00 -1.26 -5.03 119.74 116.37 2ckj s LYS 225 Ca 0.65 -1.69 -0.18 0.00 0.00 0.00 0.00 55.97 54.75 2ckj s LYS 225 Cb -0.22 -0.78 -0.04 0.00 0.00 0.00 0.00 37.83 36.79 2ckj s LYS 225 CO 0.27 -0.04 1.09 1.14 0.00 0.00 0.00 175.35 177.80 2ckj s GLN 226 N -3.81 3.31 0.05 1.78 -2.07 -1.26 -4.92 119.66 112.73 2ckj s GLN 226 Ca 0.28 1.40 0.08 0.00 -1.82 0.00 0.00 55.36 55.30 2ckj s GLN 226 Cb 0.05 -2.02 -0.03 0.00 -1.09 0.00 0.00 33.01 29.92 2ckj s GLN 226 CO 0.09 -0.84 -0.23 -0.51 -1.32 0.00 0.00 175.29 172.48 2ckj s LEU 227 N -4.17 2.17 -0.07 2.60 1.43 -1.08 -4.75 118.68 114.81 2ckj s LEU 227 Ca 0.68 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2ckj s LEU 227 Cb -0.19 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.95 2ckj s LEU 227 CO 0.31 0.19 -0.10 -0.60 0.23 0.00 0.00 176.35 176.38 2ckj s ARG 228 N -1.24 1.56 -0.01 1.70 3.52 -0.65 -0.80 118.95 123.03 2ckj s ARG 228 Ca 0.09 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 2ckj s ARG 228 Cb -0.09 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 2ckj s ARG 228 CO 0.02 -0.04 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.30 2ckj s PHE 229 N 0.87 2.76 -0.09 5.12 2.99 -0.79 -4.28 117.98 124.55 2ckj s PHE 229 Ca -0.11 -0.12 0.05 0.00 0.00 0.00 0.00 56.93 56.74 2ckj s PHE 229 Cb -0.15 -1.59 -0.00 0.00 0.00 0.00 0.00 43.02 41.27 2ckj s PHE 229 CO 0.01 0.28 -0.24 -1.21 -0.00 0.00 0.00 175.22 174.07 2ckj s GLU 230 N -1.14 2.89 0.00 0.44 2.02 -1.26 -2.23 118.70 119.41 2ckj s GLU 230 Ca 0.14 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2ckj s GLU 230 Cb -0.11 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2ckj s GLU 230 CO 0.04 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2ckj n GLY 231 N 3.30 3.09 0.00 -1.39 0.00 -0.68 -4.69 105.19 104.83 2ckj n GLY 231 Ca -0.18 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 43.96 2ckj n GLY 231 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 232 N 0.00 1.24 0.00 1.61 2.13 -1.26 -4.60 120.64 119.76 2ckj n GLU 232 Ca 0.00 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2ckj n GLU 232 Cb 0.00 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2ckj n GLU 232 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ckj n ARG 233 N -1.73 0.46 -4.38 5.31 1.74 -1.26 -5.14 116.66 111.66 2ckj n ARG 233 Ca -0.01 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2ckj n ARG 233 Cb 0.30 -0.26 -0.12 0.00 -1.02 0.00 0.00 32.46 31.36 2ckj n ARG 233 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ckj s VAL 234 N -0.86 2.17 -0.07 1.55 1.01 -1.26 -4.77 120.40 118.17 2ckj s VAL 234 Ca 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 61.98 60.17 2ckj s VAL 234 Cb 0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 2ckj s VAL 234 CO 0.00 -0.05 -0.21 -0.89 0.00 0.00 0.00 175.10 173.95 2ckj s THR 235 N -1.41 1.77 -0.17 3.92 2.01 -0.75 -1.68 115.64 119.33 2ckj s THR 235 Ca 0.16 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2ckj s THR 235 Cb -0.09 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.92 2ckj s THR 235 CO 0.07 0.50 -0.19 0.86 -0.69 0.00 0.00 174.62 175.17 2ckj s TRP 236 N 0.21 2.62 -0.22 4.92 -0.11 -0.95 -0.86 118.94 124.55 2ckj s TRP 236 Ca -0.11 -1.53 -0.02 0.00 1.22 0.00 0.00 56.10 55.66 2ckj s TRP 236 Cb -0.15 -1.83 0.01 0.00 -1.50 0.00 0.00 33.47 30.00 2ckj s TRP 236 CO 0.05 -0.77 -0.10 0.42 -4.62 0.00 0.00 176.95 171.94 2ckj s ILE 237 N 1.33 2.79 -0.40 5.86 1.01 -0.00 -1.89 121.20 129.90 2ckj s ILE 237 Ca 0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2ckj s ILE 237 Cb -0.13 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2ckj s ILE 237 CO -0.12 0.38 0.55 -1.58 0.00 0.00 0.00 174.94 174.18 2ckj s GLN 238 N 1.37 3.36 0.36 2.79 2.00 0.02 -1.57 119.66 128.00 2ckj s GLN 238 Ca 0.04 -0.37 -0.06 0.00 -2.00 0.00 0.00 55.36 52.96 2ckj s GLN 238 Cb -0.15 -3.90 -0.05 0.00 0.80 0.00 0.00 33.01 29.71 2ckj s GLN 238 CO -0.07 -0.85 0.65 0.00 -0.50 0.00 0.00 175.29 174.53 2ckj s ALA 239 N 2.53 3.52 0.00 1.58 0.00 -0.80 -2.64 121.76 125.94 2ckj s ALA 239 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2ckj s ALA 239 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2ckj s ALA 239 CO 0.16 0.05 0.00 -1.13 0.00 0.00 0.00 175.76 174.83 2ckj n SER 240 N -1.36 3.52 -4.89 0.00 3.41 -1.26 -4.40 113.62 108.65 2ckj n SER 240 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.39 2ckj n SER 240 Cb 0.54 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.75 2ckj n SER 240 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ckj s THR 241 N -1.74 2.49 0.05 6.66 -4.23 -1.26 -4.65 115.64 112.96 2ckj s THR 241 Ca 0.00 -1.34 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2ckj s THR 241 Cb 0.00 -2.83 -0.20 0.00 1.34 0.00 0.00 72.50 70.81 2ckj s THR 241 CO 0.00 0.00 1.19 0.25 -0.54 0.00 0.00 174.62 175.52 2ckj h LEU 242 N 0.94 0.70 -0.74 4.79 5.85 -1.96 -3.27 115.31 121.62 2ckj h LEU 242 Ca -0.40 -0.70 0.11 0.00 0.84 0.00 0.00 57.88 57.73 2ckj h LEU 242 Cb 1.27 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 2ckj h LEU 242 CO 0.56 1.29 -0.43 0.50 -0.34 0.00 0.00 178.44 180.03 2ckj h LYS 243 N 0.16 -0.13 0.00 1.25 3.64 -2.00 -0.90 116.57 118.60 2ckj h LYS 243 Ca -0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2ckj h LYS 243 Cb 1.34 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2ckj h LYS 243 CO 0.14 -0.09 0.00 1.05 -2.27 0.00 0.00 179.45 178.28 2ckj h GLU 244 N -0.13 0.00 0.17 1.90 4.11 -1.98 -2.21 114.58 116.43 2ckj h GLU 244 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 2ckj h GLU 244 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ckj h GLU 244 CO -0.80 0.00 -0.08 1.25 0.07 0.00 0.00 179.01 179.45 2ckj h LEU 245 N 0.00 -0.19 -1.76 3.06 5.85 -1.27 -2.80 115.31 118.21 2ckj h LEU 245 Ca 0.00 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2ckj h LEU 245 Cb 0.09 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2ckj h LEU 245 CO 0.00 0.37 0.24 -0.07 -0.34 0.00 0.00 178.44 178.64 2ckj h LEU 246 N -0.98 0.27 0.02 2.25 3.38 -0.61 -0.77 115.31 118.87 2ckj h LEU 246 Ca -0.02 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 2ckj h LEU 246 Cb 0.42 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2ckj h LEU 246 CO 0.04 0.18 -0.92 0.44 0.09 0.00 0.00 178.44 178.27 2ckj h ASP 247 N 0.31 0.78 0.67 -0.43 3.32 -1.60 -2.02 116.42 117.44 2ckj h ASP 247 Ca 0.15 -0.76 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 2ckj h ASP 247 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2ckj h ASP 247 CO -0.03 1.44 -0.45 0.25 -1.72 0.00 0.00 179.24 178.73 2ckj h LEU 248 N 0.20 -1.15 -1.75 1.55 7.12 -0.94 -1.94 115.31 118.40 2ckj h LEU 248 Ca -0.12 0.07 0.15 0.00 0.13 0.00 0.00 57.88 58.11 2ckj h LEU 248 Cb 1.60 0.35 -0.04 0.00 -0.53 0.00 0.00 40.66 42.04 2ckj h LEU 248 CO 0.18 -0.67 0.45 0.11 -0.13 0.00 0.00 178.44 178.37 2ckj h LYS 249 N -1.06 0.25 -0.08 1.25 1.79 -1.28 -1.52 116.57 115.92 2ckj h LYS 249 Ca -0.08 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.16 2ckj h LYS 249 Cb 0.87 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2ckj h LYS 249 CO 0.06 0.16 -0.80 0.00 -1.08 0.00 0.00 179.45 177.79 2ckj h ALA 250 N 1.68 0.44 -0.13 3.86 0.00 -0.76 -2.78 119.26 121.57 2ckj h ALA 250 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ckj h ALA 250 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ckj h ALA 250 CO -0.07 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2ckj n GLN 251 N -3.85 1.94 -2.90 0.00 10.64 -0.79 -4.56 117.38 117.86 2ckj n GLN 251 Ca -0.06 -1.39 -0.13 0.00 -1.83 0.00 0.00 57.00 53.59 2ckj n GLN 251 Cb 0.75 -1.45 0.02 0.00 -0.86 0.00 0.00 30.24 28.70 2ckj n GLN 251 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2ckj n HIS 252 N 0.64 -2.11 0.30 2.61 8.25 -0.62 -5.04 115.22 119.25 2ckj n HIS 252 Ca 0.17 -2.52 0.14 0.00 -0.26 0.00 0.00 57.72 55.25 2ckj n HIS 252 Cb 0.43 0.88 0.64 0.00 1.12 0.00 0.00 29.99 33.06 2ckj n HIS 252 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2ckj h PRO 253 N 3.65 0.00 -0.05 -0.41 0.11 -1.74 -2.14 132.00 131.43 2ckj h PRO 253 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2ckj h PRO 253 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2ckj h PRO 253 CO 0.34 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.73 2ckj n ASP 254 N -2.47 0.94 -4.76 -2.05 5.75 -1.26 -4.62 116.55 108.07 2ckj n ASP 254 Ca 0.00 -1.42 -0.41 0.00 -0.01 0.00 0.00 54.79 52.95 2ckj n ASP 254 Cb 0.16 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 2ckj n ASP 254 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj s ALA 255 N -1.95 3.50 -0.16 2.12 0.00 -0.81 -4.87 121.76 119.60 2ckj s ALA 255 Ca 0.37 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 2ckj s ALA 255 Cb 0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2ckj s ALA 255 CO 0.31 -0.58 -0.04 0.21 0.00 0.00 0.00 175.76 175.66 2ckj s LYS 256 N -1.54 3.66 -0.09 0.00 2.47 -0.07 -4.90 119.74 119.27 2ckj s LYS 256 Ca 0.50 -0.53 -0.30 0.00 -1.56 0.00 0.00 55.97 54.08 2ckj s LYS 256 Cb -0.39 -2.91 -0.03 0.00 -1.46 0.00 0.00 37.83 33.04 2ckj s LYS 256 CO 0.50 0.23 1.30 -0.51 0.16 0.00 0.00 175.35 177.02 2ckj s LEU 257 N 0.40 4.25 -0.08 5.43 1.43 -1.25 -0.22 118.68 128.63 2ckj s LEU 257 Ca -0.04 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2ckj s LEU 257 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2ckj s LEU 257 CO 0.03 -0.70 -0.15 -0.69 0.23 0.00 0.00 176.35 175.06 2ckj s VAL 258 N 2.88 2.92 0.00 -1.59 1.01 -0.88 -4.96 120.40 119.78 2ckj s VAL 258 Ca 0.58 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2ckj s VAL 258 Cb -0.25 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2ckj s VAL 258 CO 0.21 0.56 0.00 0.52 0.00 0.00 0.00 175.10 176.39 2ckj n VAL 259 N 2.91 0.00 0.06 2.92 0.31 -1.26 -4.01 118.33 119.26 2ckj n VAL 259 Ca -0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.13 2ckj n VAL 259 Cb 0.52 -0.66 -0.07 0.00 -0.91 0.00 0.00 33.84 32.72 2ckj n VAL 259 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ckj h GLY 260 N 0.00 0.00 0.00 2.92 0.00 -1.95 -3.49 103.07 100.55 2ckj h GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ckj h GLY 260 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2ckj n ASN 261 N -3.14 -2.03 0.00 0.19 5.15 -1.26 -4.81 115.26 109.37 2ckj n ASN 261 Ca -0.05 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.03 2ckj n ASN 261 Cb 0.87 -1.10 0.59 0.00 -0.53 0.00 0.00 39.78 39.61 2ckj n ASN 261 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2ckj n THR 262 N -2.36 0.00 0.00 -0.44 -2.24 -1.26 -1.73 114.28 106.26 2ckj n THR 262 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ckj n THR 262 Cb 0.08 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2ckj n THR 262 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ckj n GLU 263 N -0.99 0.02 -0.27 -0.78 4.07 -1.26 -4.51 120.64 116.92 2ckj n GLU 263 Ca 0.15 0.01 0.06 0.00 -0.06 0.00 0.00 57.16 57.31 2ckj n GLU 263 Cb 0.07 -0.22 0.16 0.00 -0.06 0.00 0.00 31.44 31.39 2ckj n GLU 263 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2ckj h ILE 264 N -0.04 0.30 -0.79 6.31 1.08 -1.99 -0.71 117.51 121.67 2ckj h ILE 264 Ca 0.00 -0.03 0.19 0.00 -0.39 0.00 0.00 64.86 64.63 2ckj h ILE 264 Cb 0.04 0.21 -0.13 0.00 -3.07 0.00 0.00 36.82 33.87 2ckj h ILE 264 CO 0.00 0.02 0.13 1.23 -0.69 0.00 0.00 178.15 178.83 2ckj h GLY 265 N 0.08 1.06 0.73 5.37 0.00 -1.63 0.22 103.07 108.91 2ckj h GLY 265 Ca 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 2ckj h GLY 265 CO -0.70 -0.29 -0.07 -2.22 0.00 0.00 0.00 176.54 173.26 2ckj h ILE 266 N 0.19 1.32 -0.40 2.60 1.08 -1.38 -3.10 117.51 117.82 2ckj h ILE 266 Ca 0.46 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 2ckj h ILE 266 Cb 0.84 1.76 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 2ckj h ILE 266 CO -0.62 0.32 0.19 -0.33 -0.69 0.00 0.00 178.15 177.02 2ckj h GLU 267 N -0.06 0.58 -0.06 2.37 5.08 -0.48 -0.79 114.58 121.22 2ckj h GLU 267 Ca 0.03 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2ckj h GLU 267 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ckj h GLU 267 CO 0.02 0.51 -0.45 0.52 -1.00 0.00 0.00 179.01 178.61 2ckj h MET 268 N 0.50 0.13 0.21 2.33 2.86 -0.72 -2.13 114.93 118.10 2ckj h MET 268 Ca 0.14 -0.06 -0.32 0.00 -2.06 0.00 0.00 59.70 57.40 2ckj h MET 268 Cb 0.13 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.81 2ckj h MET 268 CO -0.02 0.56 -1.42 -0.22 1.06 0.00 0.00 176.91 176.87 2ckj h LYS 269 N 0.11 0.43 0.00 1.72 3.64 -1.40 -3.38 116.57 117.69 2ckj h LYS 269 Ca 0.01 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 2ckj h LYS 269 Cb 0.84 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2ckj h LYS 269 CO 0.06 1.35 -1.11 1.19 -2.27 0.00 0.00 179.45 178.67 2ckj n PHE 270 N -3.64 0.00 -2.95 1.91 3.01 -0.33 -4.56 117.46 110.90 2ckj n PHE 270 Ca -0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.05 2ckj n PHE 270 Cb 1.08 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 40.45 2ckj n PHE 270 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ckj n LYS 271 N -1.58 3.13 0.00 -1.08 5.02 -0.80 -4.99 118.16 117.85 2ckj n LYS 271 Ca -0.00 -4.79 0.00 0.00 -2.02 0.00 0.00 58.31 51.50 2ckj n LYS 271 Cb 0.06 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 2ckj n LYS 271 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ckj n ASN 272 N -0.22 0.00 -4.80 4.39 3.02 -1.25 -4.80 115.26 111.60 2ckj n ASN 272 Ca 0.31 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.52 2ckj n ASN 272 Cb 0.41 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 2ckj n ASN 272 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ckj s MET 273 N 0.00 3.61 -0.19 3.52 -1.94 -1.23 -5.03 119.30 118.05 2ckj s MET 273 Ca 0.00 1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 55.26 2ckj s MET 273 Cb 0.00 -2.07 0.08 0.00 2.01 0.00 0.00 34.83 34.85 2ckj s MET 273 CO 0.00 -0.58 0.17 -1.17 -0.01 0.00 0.00 175.02 173.43 2ckj s LEU 274 N -3.84 0.06 -0.18 -0.03 2.96 -1.26 -4.46 118.68 111.93 2ckj s LEU 274 Ca 0.66 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2ckj s LEU 274 Cb -0.17 0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.64 2ckj s LEU 274 CO 0.26 -0.33 0.02 -0.36 -1.32 0.00 0.00 176.35 174.62 2ckj s PHE 275 N 2.26 3.15 -0.60 5.38 0.40 -1.26 -4.98 117.98 122.32 2ckj s PHE 275 Ca 0.05 -0.11 0.23 0.00 -0.60 0.00 0.00 56.93 56.49 2ckj s PHE 275 Cb -0.16 -2.04 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 2ckj s PHE 275 CO -0.11 0.04 0.97 -0.35 0.70 0.00 0.00 175.22 176.47 2ckj n PRO 276 N 3.63 0.29 -3.77 0.24 -0.05 -1.26 -4.79 135.00 129.29 2ckj n PRO 276 Ca -0.17 -0.02 -0.26 0.00 -0.05 0.00 0.00 63.50 63.00 2ckj n PRO 276 Cb 0.52 -1.58 -0.17 0.00 -0.05 0.00 0.00 33.50 32.23 2ckj n PRO 276 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 2ckj s MET 277 N -3.20 0.77 -0.03 0.54 1.75 -1.26 -1.81 119.30 116.06 2ckj s MET 277 Ca 0.03 -0.28 0.05 0.00 -1.25 0.00 0.00 55.69 54.24 2ckj s MET 277 Cb 0.15 -1.75 -0.03 0.00 2.84 0.00 0.00 34.83 36.04 2ckj s MET 277 CO 0.82 -0.50 -0.16 0.42 -0.65 0.00 0.00 175.02 174.94 2ckj s ILE 278 N 1.86 2.89 -0.05 10.11 1.01 -0.04 -0.90 121.20 136.09 2ckj s ILE 278 Ca 0.01 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2ckj s ILE 278 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2ckj s ILE 278 CO -0.07 0.55 -0.21 0.54 0.00 0.00 0.00 174.94 175.75 2ckj s VAL 279 N -0.75 1.73 -0.20 2.92 0.11 0.69 -0.82 120.40 124.09 2ckj s VAL 279 Ca 0.12 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.28 2ckj s VAL 279 Cb -0.11 -1.47 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2ckj s VAL 279 CO 0.01 0.49 -0.15 0.00 -3.33 0.00 0.00 175.10 172.12 2ckj n PRO 281 N 4.65 0.00 0.00 0.00 -0.05 -1.26 -1.91 135.00 136.44 2ckj n PRO 281 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.25 2ckj n PRO 281 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.95 2ckj n PRO 281 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ckj n ALA 282 N -3.00 0.00 1.01 0.55 0.00 -1.26 -4.44 120.51 113.37 2ckj n ALA 282 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2ckj n ALA 282 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ckj n ALA 282 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2ckj n TRP 283 N -0.34 0.00 -2.71 0.00 8.01 -1.26 -4.94 117.44 116.19 2ckj n TRP 283 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 2ckj n TRP 283 Cb 0.00 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.31 29.22 2ckj n TRP 283 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2ckj s ILE 284 N -2.94 4.40 0.30 -0.99 -1.09 -1.26 -4.90 121.20 114.72 2ckj s ILE 284 Ca 0.10 1.16 0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2ckj s ILE 284 Cb 0.17 -4.47 0.32 0.00 -1.58 0.00 0.00 42.46 36.89 2ckj s ILE 284 CO 0.80 -0.79 1.64 -0.65 -1.23 0.00 0.00 174.94 174.72 2ckj h PRO 285 N 8.87 0.20 0.00 2.79 0.11 -1.92 0.53 132.00 142.57 2ckj h PRO 285 Ca -0.23 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ckj h PRO 285 Cb 1.07 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2ckj h PRO 285 CO 1.06 0.13 -0.00 0.93 -0.21 0.00 0.00 178.00 179.91 2ckj h GLU 286 N 0.21 0.00 -0.68 1.05 3.07 -1.99 -1.89 114.58 114.35 2ckj h GLU 286 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 2ckj h GLU 286 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2ckj h GLU 286 CO -0.67 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.22 2ckj n LEU 287 N -3.75 4.61 0.00 1.33 4.77 0.18 -4.10 117.00 120.04 2ckj n LEU 287 Ca -0.03 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 2ckj n LEU 287 Cb 0.08 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2ckj n LEU 287 CO 0.26 0.83 0.33 0.59 -1.33 0.00 0.00 177.39 178.08 2ckj n ASN 288 N 1.23 0.76 -4.80 -1.43 3.02 -0.72 -1.52 115.26 111.80 2ckj n ASN 288 Ca 0.26 -1.37 -0.38 0.00 -0.03 0.00 0.00 54.58 53.06 2ckj n ASN 288 Cb 0.84 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 2ckj n ASN 288 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ckj s SER 289 N -0.37 7.20 0.00 6.41 1.04 -1.19 -4.69 113.70 122.11 2ckj s SER 289 Ca 0.00 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 57.93 2ckj s SER 289 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 2ckj s SER 289 CO 0.00 0.12 0.10 0.68 0.98 0.00 0.00 173.24 175.12 2ckj s VAL 290 N -1.34 4.82 -0.17 5.02 -7.23 -1.26 0.80 120.40 121.03 2ckj s VAL 290 Ca 0.39 -0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 2ckj s VAL 290 Cb -0.19 -3.22 0.05 0.00 0.56 0.00 0.00 36.38 33.58 2ckj s VAL 290 CO 0.23 0.33 0.44 -0.70 -0.31 0.00 0.00 175.10 175.08 2ckj s GLU 291 N -1.82 0.46 -0.86 4.82 2.12 -0.30 -4.99 118.70 118.12 2ckj s GLU 291 Ca 0.24 0.72 -0.16 0.00 0.36 0.00 0.00 54.97 56.13 2ckj s GLU 291 Cb -0.12 0.12 0.18 0.00 0.26 0.00 0.00 34.13 34.57 2ckj s GLU 291 CO 0.15 -0.11 0.90 -1.01 -0.54 0.00 0.00 175.26 174.66 2ckj s HIS 292 N 0.84 3.49 0.95 5.30 3.76 -1.26 -0.63 115.29 127.74 2ckj s HIS 292 Ca -0.05 -1.72 -0.16 0.00 -0.15 0.00 0.00 55.06 52.98 2ckj s HIS 292 Cb -0.06 -4.01 0.24 0.00 1.11 0.00 0.00 32.58 29.86 2ckj s HIS 292 CO -0.07 -1.19 0.88 0.41 -0.85 0.00 0.00 174.74 173.92 2ckj n GLY 293 N 4.61 -2.59 0.08 -2.22 0.00 -1.03 -4.97 105.19 99.08 2ckj n GLY 293 Ca 0.17 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.84 2ckj n GLY 293 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ckj n PRO 294 N -4.06 1.11 0.00 1.61 -0.02 -1.26 -4.39 135.00 127.99 2ckj n PRO 294 Ca 0.12 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2ckj n PRO 294 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2ckj n PRO 294 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ckj n ASP 295 N -0.81 0.00 0.00 2.55 9.92 -1.26 -5.06 116.55 121.90 2ckj n ASP 295 Ca 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2ckj n ASP 295 Cb 0.15 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 2ckj n ASP 295 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ckj n GLY 296 N -0.19 0.44 3.85 0.44 0.00 -1.26 -1.43 105.19 107.03 2ckj n GLY 296 Ca 0.00 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 2ckj n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ckj s ILE 297 N -2.00 4.85 -0.10 -0.61 1.01 -1.00 -2.46 121.20 120.90 2ckj s ILE 297 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.48 2ckj s ILE 297 Cb 0.00 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2ckj s ILE 297 CO 0.00 0.21 -0.15 -0.55 0.00 0.00 0.00 174.94 174.45 2ckj s SER 298 N -1.78 2.34 -0.07 3.58 0.15 0.20 -1.81 113.70 116.32 2ckj s SER 298 Ca 0.39 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.67 2ckj s SER 298 Cb -0.15 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2ckj s SER 298 CO 0.19 0.03 -0.18 -0.36 1.20 0.00 0.00 173.24 174.13 2ckj s PHE 299 N 0.87 1.88 0.23 3.44 0.40 -0.38 -1.15 117.98 123.26 2ckj s PHE 299 Ca -0.09 -0.66 -0.31 0.00 -0.60 0.00 0.00 56.93 55.27 2ckj s PHE 299 Cb -0.15 -1.29 -0.11 0.00 0.51 0.00 0.00 43.02 41.98 2ckj s PHE 299 CO 0.01 -0.27 1.62 0.20 0.70 0.00 0.00 175.22 177.48 2ckj s GLY 300 N 0.31 1.68 0.65 4.36 0.00 0.24 -2.61 107.32 111.95 2ckj s GLY 300 Ca -0.11 1.51 0.15 0.00 0.00 0.00 0.00 44.72 46.27 2ckj s GLY 300 CO 0.04 2.66 1.38 0.00 0.00 0.00 0.00 173.10 177.19 2ckj h ALA 301 N 6.00 1.99 0.00 3.20 0.00 -1.44 -0.41 119.26 128.61 2ckj h ALA 301 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ckj h ALA 301 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ckj h ALA 301 CO 0.88 -0.92 -0.84 0.00 0.00 0.00 0.00 179.25 178.38 2ckj h ALA 302 N 0.58 0.56 -2.97 0.00 0.00 -1.58 -1.56 119.26 114.29 2ckj h ALA 302 Ca 0.10 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.47 2ckj h ALA 302 Cb 1.71 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.62 2ckj h ALA 302 CO -0.00 0.00 0.74 0.00 0.00 0.00 0.00 179.25 179.99 2ckj s PRO 304 N -2.30 4.73 0.11 0.00 0.02 -1.26 -2.42 135.00 133.89 2ckj s PRO 304 Ca 0.57 1.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.12 2ckj s PRO 304 Cb -0.45 -3.27 0.12 0.00 0.02 0.00 0.00 34.50 30.92 2ckj s PRO 304 CO 0.59 0.32 0.73 1.28 -0.33 0.00 0.00 177.00 179.60 2ckj n LEU 305 N 1.73 -0.31 -0.12 -5.54 4.77 -0.75 0.21 117.00 117.00 2ckj n LEU 305 Ca -0.00 0.83 0.27 0.00 -0.03 0.00 0.00 56.01 57.07 2ckj n LEU 305 Cb 0.47 -0.19 0.72 0.00 -2.33 0.00 0.00 43.42 42.08 2ckj n LEU 305 CO 0.52 -0.74 1.25 0.77 -1.33 0.00 0.00 177.39 177.85 2ckj h SER 306 N 0.00 0.00 0.02 -1.43 4.64 -1.13 0.32 113.55 115.97 2ckj h SER 306 Ca 0.17 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 2ckj h SER 306 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2ckj h SER 306 CO -0.47 0.00 -2.17 2.30 -0.87 0.00 0.00 176.83 175.62 2ckj n ILE 307 N -4.05 0.67 -0.14 0.95 -5.35 0.56 -3.32 119.36 108.68 2ckj n ILE 307 Ca 0.16 -0.67 -0.04 0.00 -0.27 0.00 0.00 62.75 61.93 2ckj n ILE 307 Cb 0.93 -0.23 0.02 0.00 -1.74 0.00 0.00 39.64 38.63 2ckj n ILE 307 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2ckj h VAL 308 N 0.00 0.43 -0.08 7.28 2.07 -0.44 -2.50 116.25 123.01 2ckj h VAL 308 Ca -0.26 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2ckj h VAL 308 Cb 1.59 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2ckj h VAL 308 CO 0.01 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.35 2ckj h GLU 309 N -0.08 -0.16 -1.34 1.57 4.81 -0.53 -2.36 114.58 116.49 2ckj h GLU 309 Ca 0.22 0.01 0.43 0.00 -0.13 0.00 0.00 59.36 59.89 2ckj h GLU 309 Cb 0.42 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.71 2ckj h GLU 309 CO -0.51 -0.11 0.88 -0.22 -0.73 0.00 0.00 179.01 178.32 2ckj h LYS 310 N -0.17 0.09 0.04 1.92 3.64 -1.54 0.52 116.57 121.07 2ckj h LYS 310 Ca 0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ckj h LYS 310 Cb 0.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2ckj h LYS 310 CO -0.16 0.06 -0.02 1.15 -2.27 0.00 0.00 179.45 178.21 2ckj h THR 311 N 0.09 0.00 -0.97 1.00 2.02 -0.96 -3.21 112.91 110.88 2ckj h THR 311 Ca 0.81 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 68.02 2ckj h THR 311 Cb 2.58 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.87 2ckj h THR 311 CO -0.38 0.00 -0.54 0.18 0.37 0.00 0.00 175.52 175.15 2ckj n LEU 312 N -2.31 -0.97 -0.30 2.58 4.32 -0.70 -1.64 117.00 117.98 2ckj n LEU 312 Ca -0.01 1.72 0.20 0.00 -0.02 0.00 0.00 56.01 57.91 2ckj n LEU 312 Cb 0.02 -0.25 0.38 0.00 -1.62 0.00 0.00 43.42 41.95 2ckj n LEU 312 CO 0.02 -1.43 0.81 0.52 -1.22 0.00 0.00 177.39 176.09 2ckj n VAL 313 N -5.25 -0.37 -0.08 4.08 0.31 0.17 0.90 118.33 118.10 2ckj n VAL 313 Ca 0.03 1.89 -0.17 0.00 -0.01 0.00 0.00 64.34 66.08 2ckj n VAL 313 Cb 0.27 -2.89 -0.13 0.00 -0.91 0.00 0.00 33.84 30.18 2ckj n VAL 313 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2ckj n ASP 314 N -5.17 1.71 0.25 4.52 3.85 -0.84 -3.90 116.55 116.97 2ckj n ASP 314 Ca 0.27 0.02 0.17 0.00 -0.71 0.00 0.00 54.79 54.54 2ckj n ASP 314 Cb 0.89 -0.35 0.83 0.00 -1.35 0.00 0.00 41.12 41.13 2ckj n ASP 314 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ckj h ALA 315 N 0.22 1.00 -0.01 2.12 0.00 -0.46 0.38 119.26 122.51 2ckj h ALA 315 Ca -0.51 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2ckj h ALA 315 Cb 1.99 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2ckj h ALA 315 CO -0.01 0.00 -0.57 -0.24 0.00 0.00 0.00 179.25 178.43 2ckj h VAL 316 N 0.00 1.40 0.00 0.00 3.04 0.40 -3.30 116.25 117.79 2ckj h VAL 316 Ca 0.00 -1.94 0.00 0.00 -1.01 0.00 0.00 66.70 63.75 2ckj h VAL 316 Cb 0.19 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2ckj h VAL 316 CO 0.00 0.56 -0.65 0.00 -1.01 0.00 0.00 177.57 176.47 2ckj h ALA 317 N 1.39 0.65 -0.83 3.17 0.00 -0.48 -3.31 119.26 119.86 2ckj h ALA 317 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2ckj h ALA 317 Cb 1.02 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.55 2ckj h ALA 317 CO 0.08 0.00 0.60 1.63 0.00 0.00 0.00 179.25 181.55 2ckj n LYS 318 N -2.66 2.14 -3.64 0.00 4.76 0.20 -4.99 118.16 113.97 2ckj n LYS 318 Ca 0.02 -2.55 -0.05 0.00 -2.87 0.00 0.00 58.31 52.85 2ckj n LYS 318 Cb 0.52 -2.00 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 2ckj n LYS 318 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2ckj s LEU 319 N -2.85 -0.87 -0.19 -0.35 0.20 -1.25 -5.02 118.68 108.36 2ckj s LEU 319 Ca 0.49 1.36 -0.17 0.00 0.69 0.00 0.00 54.13 56.49 2ckj s LEU 319 Cb 0.40 2.23 -0.07 0.00 -0.43 0.00 0.00 46.19 48.32 2ckj s LEU 319 CO 0.06 -0.21 0.74 -2.65 -0.29 0.00 0.00 176.35 174.00 2ckj n PRO 320 N 4.31 0.00 -0.00 0.98 -0.02 -1.26 -4.73 135.00 134.28 2ckj n PRO 320 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2ckj n PRO 320 Cb 0.58 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2ckj n PRO 320 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 321 N 2.36 1.93 0.00 3.55 0.00 -1.26 -2.58 120.51 124.51 2ckj n ALA 321 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2ckj n ALA 321 Cb -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2ckj n ALA 321 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 322 N 0.80 2.44 0.09 0.00 -0.06 -1.26 -4.61 117.38 114.78 2ckj n GLN 322 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 2ckj n GLN 322 Cb 0.21 -0.79 0.23 0.00 -4.06 0.00 0.00 30.24 25.83 2ckj n GLN 322 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2ckj h LYS 323 N 0.00 0.25 -1.75 3.69 1.57 -1.57 -3.34 116.57 115.41 2ckj h LYS 323 Ca 0.00 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 2ckj h LYS 323 Cb 0.10 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 2ckj h LYS 323 CO 0.00 0.60 0.19 0.25 -0.57 0.00 0.00 179.45 179.92 2ckj n THR 324 N -4.04 2.33 0.00 -0.16 -2.24 -1.25 0.98 114.28 109.90 2ckj n THR 324 Ca -0.01 -1.01 -0.07 0.00 -2.27 0.00 0.00 64.05 60.69 2ckj n THR 324 Cb 0.46 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 2ckj n THR 324 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ckj h GLU 325 N 1.18 0.00 0.09 -0.78 4.39 -1.87 -3.25 114.58 114.34 2ckj h GLU 325 Ca 0.13 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.53 2ckj h GLU 325 Cb 0.97 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2ckj h GLU 325 CO 0.35 0.55 -1.57 0.28 -1.16 0.00 0.00 179.01 177.46 2ckj h VAL 326 N 0.00 1.10 -0.61 3.13 2.07 -1.82 -3.28 116.25 116.83 2ckj h VAL 326 Ca -0.21 -2.78 0.07 0.00 0.82 0.00 0.00 66.70 64.59 2ckj h VAL 326 Cb 1.90 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 34.30 2ckj h VAL 326 CO 0.08 0.79 0.31 -0.26 0.02 0.00 0.00 177.57 178.51 2ckj h PHE 327 N 0.05 0.56 0.00 1.57 -1.00 -1.85 -2.03 116.94 114.24 2ckj h PHE 327 Ca -0.25 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.52 2ckj h PHE 327 Cb 2.00 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 41.40 2ckj h PHE 327 CO 0.05 0.24 -0.17 0.00 -1.61 0.00 0.00 178.31 176.82 2ckj h ARG 328 N 0.56 0.00 -0.05 1.51 -0.00 -1.63 -1.42 114.38 113.35 2ckj h ARG 328 Ca 0.29 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.71 2ckj h ARG 328 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.21 2ckj h ARG 328 CO -0.21 0.17 -0.16 0.78 0.00 0.00 0.00 179.97 180.54 2ckj h GLY 329 N 0.64 0.23 -0.05 0.04 0.00 -1.44 -2.53 103.07 99.97 2ckj h GLY 329 Ca -0.00 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.10 2ckj h GLY 329 CO 0.02 0.26 -0.34 -2.08 0.00 0.00 0.00 176.54 174.40 2ckj h VAL 330 N -0.32 0.23 -0.73 4.60 2.07 -1.01 -2.57 116.25 118.53 2ckj h VAL 330 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2ckj h VAL 330 Cb 0.78 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2ckj h VAL 330 CO 0.04 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 178.03 2ckj h LEU 331 N -0.33 0.55 -2.56 2.57 4.07 -1.39 0.20 115.31 118.41 2ckj h LEU 331 Ca 0.13 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.12 2ckj h LEU 331 Cb 0.55 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 2ckj h LEU 331 CO -0.46 0.32 0.07 -0.33 -1.08 0.00 0.00 178.44 176.96 2ckj h GLU 332 N 0.60 0.00 0.02 1.13 4.39 -1.06 -1.51 114.58 118.15 2ckj h GLU 332 Ca 0.34 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.68 2ckj h GLU 332 Cb 0.50 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2ckj h GLU 332 CO -0.12 0.00 -2.20 1.04 -1.16 0.00 0.00 179.01 176.57 2ckj n GLN 333 N -3.51 0.68 0.00 2.33 1.13 -0.01 -4.21 117.38 113.78 2ckj n GLN 333 Ca -0.02 0.13 0.09 0.00 -1.94 0.00 0.00 57.00 55.26 2ckj n GLN 333 Cb 0.15 -1.61 0.40 0.00 0.11 0.00 0.00 30.24 29.29 2ckj n GLN 333 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ckj n LEU 334 N -3.03 0.00 -0.03 1.08 4.77 -0.61 -1.89 117.00 117.29 2ckj n LEU 334 Ca -0.32 0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2ckj n LEU 334 Cb 1.08 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2ckj n LEU 334 CO 0.40 -0.17 0.34 0.08 -1.33 0.00 0.00 177.39 176.70 2ckj h ARG 335 N 0.00 0.62 -0.01 3.23 0.11 -1.63 -3.30 114.38 113.40 2ckj h ARG 335 Ca 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2ckj h ARG 335 Cb 0.27 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2ckj h ARG 335 CO 0.00 1.12 -0.01 0.91 0.10 0.00 0.00 179.97 182.09 2ckj n TRP 336 N -4.13 0.00 -2.37 4.08 7.02 -1.03 -4.51 117.44 116.50 2ckj n TRP 336 Ca -0.08 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.04 2ckj n TRP 336 Cb 0.65 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.49 2ckj n TRP 336 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 2ckj s PHE 337 N -2.02 2.22 0.00 -5.99 2.19 -0.79 -4.91 117.98 108.68 2ckj s PHE 337 Ca 0.38 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.44 2ckj s PHE 337 Cb 0.21 -4.45 0.00 0.00 -1.31 0.00 0.00 43.02 37.47 2ckj s PHE 337 CO 0.35 -1.92 0.00 0.00 1.83 0.00 0.00 175.22 175.48 2ckj n ALA 338 N 10.76 0.00 0.00 11.12 0.00 -1.26 -4.94 120.51 136.19 2ckj n ALA 338 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2ckj n ALA 338 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2ckj n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 339 N 0.00 2.51 0.29 0.00 0.00 -1.26 -4.63 105.19 102.10 2ckj n GLY 339 Ca 0.00 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.41 2ckj n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj h LYS 340 N 0.00 0.00 0.00 1.61 1.57 -1.86 -2.64 116.57 115.25 2ckj h LYS 340 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ckj h LYS 340 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ckj h LYS 340 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2ckj n GLN 341 N -4.06 0.25 0.00 3.15 3.00 -1.26 -2.29 117.38 116.16 2ckj n GLN 341 Ca -0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2ckj n GLN 341 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 2ckj n GLN 341 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ckj n VAL 342 N -1.32 0.00 0.24 5.09 0.31 -1.00 -3.84 118.33 117.81 2ckj n VAL 342 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.53 2ckj n VAL 342 Cb 0.17 -0.48 0.62 0.00 -0.91 0.00 0.00 33.84 33.24 2ckj n VAL 342 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ckj h LYS 343 N 0.00 0.00 0.00 5.55 1.57 -1.46 -0.21 116.57 122.02 2ckj h LYS 343 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ckj h LYS 343 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ckj h LYS 343 CO 0.00 0.17 -0.40 0.77 -0.57 0.00 0.00 179.45 179.43 2ckj h SER 344 N 0.00 0.00 0.00 0.86 0.02 -1.66 0.62 113.55 113.38 2ckj h SER 344 Ca -0.00 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2ckj h SER 344 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2ckj h SER 344 CO 0.02 0.01 -2.06 1.33 -1.14 0.00 0.00 176.83 175.00 2ckj n VAL 345 N -2.74 0.43 -3.32 2.27 0.24 -0.91 -4.86 118.33 109.45 2ckj n VAL 345 Ca 0.03 -0.58 -0.35 0.00 -2.04 0.00 0.00 64.34 61.40 2ckj n VAL 345 Cb 0.51 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 2ckj n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckj s ALA 346 N -3.10 3.54 0.14 2.33 0.00 -0.14 -4.12 121.76 120.40 2ckj s ALA 346 Ca -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 2ckj s ALA 346 Cb 0.11 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2ckj s ALA 346 CO 0.83 0.44 0.42 -1.54 0.00 0.00 0.00 175.76 175.90 2ckj s SER 347 N -1.84 6.56 0.17 0.00 1.04 -1.26 -1.80 113.70 116.57 2ckj s SER 347 Ca 0.41 0.71 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 2ckj s SER 347 Cb -0.14 -2.14 0.09 0.00 0.10 0.00 0.00 66.02 63.92 2ckj s SER 347 CO 0.20 0.06 1.62 -0.37 0.98 0.00 0.00 173.24 175.73 2ckj h VAL 348 N 2.27 0.35 -0.45 5.02 -1.51 -1.67 -3.02 116.25 117.23 2ckj h VAL 348 Ca -0.47 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.04 2ckj h VAL 348 Cb 1.17 0.35 -0.05 0.00 -2.13 0.00 0.00 31.29 30.63 2ckj h VAL 348 CO 0.70 0.00 -0.27 0.61 -1.23 0.00 0.00 177.57 177.38 2ckj n GLY 349 N -1.39 -1.84 0.31 5.19 0.00 -0.59 -0.14 105.19 106.73 2ckj n GLY 349 Ca 0.02 0.66 0.12 0.00 0.00 0.00 0.00 46.02 46.82 2ckj n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 350 N 0.00 1.26 1.41 -0.02 0.00 -1.71 -2.21 103.07 101.80 2ckj h GLY 350 Ca 0.07 0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 2ckj h GLY 350 CO -0.43 -0.40 -1.03 -0.57 0.00 0.00 0.00 176.54 174.11 2ckj h ASN 351 N 0.13 0.69 0.18 0.19 -1.24 -0.51 -1.38 115.58 113.65 2ckj h ASN 351 Ca 0.54 -0.57 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2ckj h ASN 351 Cb 1.10 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2ckj h ASN 351 CO -0.72 1.38 -0.09 0.40 -1.29 0.00 0.00 177.43 177.11 2ckj h ILE 352 N 0.28 0.94 0.00 2.57 2.04 -0.69 -2.95 117.51 119.70 2ckj h ILE 352 Ca -0.11 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2ckj h ILE 352 Cb 1.68 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2ckj h ILE 352 CO 0.19 0.17 0.00 -0.38 0.00 0.00 0.00 178.15 178.13 2ckj n ILE 353 N -5.02 0.03 1.37 -0.67 5.41 -1.01 -4.26 119.36 115.21 2ckj n ILE 353 Ca -0.09 0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.75 2ckj n ILE 353 Cb 0.24 -0.52 0.45 0.00 -0.71 0.00 0.00 39.64 39.10 2ckj n ILE 353 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2ckj n THR 354 N -1.27 0.00 -1.60 1.39 5.66 -0.52 -4.91 114.28 113.03 2ckj n THR 354 Ca 0.14 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.94 2ckj n THR 354 Cb 0.23 -0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 68.45 2ckj n THR 354 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ckj s ALA 355 N -2.00 1.02 0.62 1.79 0.00 -1.26 -4.95 121.76 116.97 2ckj s ALA 355 Ca 0.23 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 2ckj s ALA 355 Cb 0.10 -4.51 -0.02 0.00 0.00 0.00 0.00 23.12 18.69 2ckj s ALA 355 CO 0.18 -5.44 1.12 0.45 0.00 0.00 0.00 175.76 172.06 2ckj s SER 356 N 11.03 5.30 0.33 0.00 0.15 -1.26 -4.16 113.70 125.09 2ckj s SER 356 Ca 0.92 2.07 0.10 0.00 0.70 0.00 0.00 55.95 59.74 2ckj s SER 356 Cb -0.14 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.51 2ckj s SER 356 CO 0.12 -1.50 1.74 -0.65 1.20 0.00 0.00 173.24 174.16 2ckj h PRO 357 N 0.43 0.56 -0.77 5.44 0.11 -1.80 -3.24 132.00 132.74 2ckj h PRO 357 Ca -0.48 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.40 2ckj h PRO 357 Cb 1.25 -0.13 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 2ckj h PRO 357 CO 0.55 0.37 0.24 0.44 -0.21 0.00 0.00 178.00 179.40 2ckj n ILE 358 N -4.83 2.77 -1.96 4.15 -6.64 -1.26 -3.14 119.36 108.46 2ckj n ILE 358 Ca 0.26 -1.50 -0.38 0.00 -1.77 0.00 0.00 62.75 59.37 2ckj n ILE 358 Cb 0.74 -0.38 0.02 0.00 -1.44 0.00 0.00 39.64 38.58 2ckj n ILE 358 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2ckj s SER 359 N -0.89 5.66 0.00 7.28 0.15 -1.22 -4.86 113.70 119.82 2ckj s SER 359 Ca 0.52 2.61 0.22 0.00 0.70 0.00 0.00 55.95 59.99 2ckj s SER 359 Cb 0.41 -2.63 -0.18 0.00 -1.71 0.00 0.00 66.02 61.92 2ckj s SER 359 CO 0.13 -1.29 0.81 0.47 1.20 0.00 0.00 173.24 174.56 2ckj n ASP 360 N -0.75 0.58 0.05 5.45 8.00 -1.26 -4.33 116.55 124.30 2ckj n ASP 360 Ca 0.09 -0.47 -0.15 0.00 0.71 0.00 0.00 54.79 54.97 2ckj n ASP 360 Cb 0.46 1.24 -0.14 0.00 -0.02 0.00 0.00 41.12 42.65 2ckj n ASP 360 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ckj h LEU 361 N 0.00 0.30 -0.24 0.64 3.38 -1.97 -3.40 115.31 114.03 2ckj h LEU 361 Ca 0.00 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2ckj h LEU 361 Cb 0.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ckj h LEU 361 CO 0.00 1.36 -0.06 0.78 0.09 0.00 0.00 178.44 180.61 2ckj h ASN 362 N 0.05 0.46 -0.99 -0.43 2.35 -1.94 -0.69 115.58 114.39 2ckj h ASN 362 Ca -0.23 -0.37 0.31 0.00 -0.55 0.00 0.00 56.30 55.46 2ckj h ASN 362 Cb 1.99 -0.13 -0.18 0.00 0.05 0.00 0.00 38.32 40.05 2ckj h ASN 362 CO 0.14 0.72 0.18 -0.65 -1.65 0.00 0.00 177.43 176.18 2ckj h PRO 363 N 0.19 0.01 0.15 0.81 0.11 -1.80 0.64 132.00 132.12 2ckj h PRO 363 Ca 0.06 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 2ckj h PRO 363 Cb 0.53 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.66 2ckj h PRO 363 CO 0.02 0.01 -1.15 0.28 -0.21 0.00 0.00 178.00 176.96 2ckj h VAL 364 N 0.01 1.35 -0.12 3.15 2.07 -1.62 0.19 116.25 121.28 2ckj h VAL 364 Ca 0.67 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2ckj h VAL 364 Cb 1.52 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 34.19 2ckj h VAL 364 CO -0.87 0.74 0.06 -0.26 0.02 0.00 0.00 177.57 177.26 2ckj h PHE 365 N 0.05 0.18 0.50 1.57 0.05 -0.56 0.57 116.94 119.29 2ckj h PHE 365 Ca -0.19 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.58 2ckj h PHE 365 Cb 1.86 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 39.74 2ckj h PHE 365 CO 0.14 0.22 -0.48 1.98 -0.18 0.00 0.00 178.31 179.99 2ckj h MET 366 N 0.08 -0.95 -0.96 1.51 4.05 0.32 -1.96 114.93 117.03 2ckj h MET 366 Ca 0.04 0.06 0.18 0.00 -0.28 0.00 0.00 59.70 59.71 2ckj h MET 366 Cb 0.11 0.22 -0.09 0.00 -0.80 0.00 0.00 31.60 31.04 2ckj h MET 366 CO -0.01 -0.63 0.61 0.00 0.23 0.00 0.00 176.91 177.11 2ckj h ALA 367 N -0.79 1.85 -0.26 0.39 0.00 -0.66 -1.15 119.26 118.64 2ckj h ALA 367 Ca -0.06 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ckj h ALA 367 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ckj h ALA 367 CO -0.05 -0.16 0.24 1.03 0.00 0.00 0.00 179.25 180.30 2ckj h SER 368 N 0.67 0.00 -5.65 0.00 0.87 0.79 -3.44 113.55 106.80 2ckj h SER 368 Ca 0.52 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.97 2ckj h SER 368 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2ckj h SER 368 CO -0.28 0.00 -0.60 0.61 -0.53 0.00 0.00 176.83 176.03 2ckj n GLY 369 N -1.48 -1.00 1.09 5.77 0.00 -0.44 -4.92 105.19 104.21 2ckj n GLY 369 Ca 0.03 1.07 -0.08 0.00 0.00 0.00 0.00 46.02 47.05 2ckj n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 370 N -0.67 -0.35 -3.43 4.61 0.00 -0.81 -4.76 120.51 115.10 2ckj n ALA 370 Ca 0.03 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 2ckj n ALA 370 Cb 0.53 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 2ckj n ALA 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 371 N -3.71 0.41 0.28 0.00 2.20 -1.01 -2.47 119.74 115.44 2ckj s LYS 371 Ca 0.21 -0.58 -0.17 0.00 -0.36 0.00 0.00 55.97 55.06 2ckj s LYS 371 Cb -0.01 -0.87 -0.09 0.00 -1.51 0.00 0.00 37.83 35.36 2ckj s LYS 371 CO 0.14 -1.10 0.74 -0.51 -0.36 0.00 0.00 175.35 174.26 2ckj s LEU 372 N 1.88 4.19 -0.27 5.43 2.01 -0.63 -1.50 118.68 129.79 2ckj s LEU 372 Ca 0.12 1.36 0.02 0.00 0.01 0.00 0.00 54.13 55.64 2ckj s LEU 372 Cb -0.16 -3.86 0.07 0.00 0.01 0.00 0.00 46.19 42.25 2ckj s LEU 372 CO -0.21 -0.10 -0.02 -0.89 1.01 0.00 0.00 176.35 176.14 2ckj s THR 373 N -1.77 1.70 0.05 5.49 2.01 0.61 -3.27 115.64 120.46 2ckj s THR 373 Ca 0.49 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.94 2ckj s THR 373 Cb -0.13 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2ckj s THR 373 CO 0.19 -0.29 0.13 -0.76 -0.69 0.00 0.00 174.62 173.20 2ckj s LEU 374 N 1.27 4.04 0.05 4.42 1.43 -1.20 -0.89 118.68 127.79 2ckj s LEU 374 Ca -0.00 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2ckj s LEU 374 Cb -0.19 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2ckj s LEU 374 CO -0.09 0.20 0.10 0.68 0.23 0.00 0.00 176.35 177.47 2ckj s VAL 375 N -1.39 0.14 0.13 -1.59 -7.23 -0.98 -3.39 120.40 106.09 2ckj s VAL 375 Ca 0.30 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2ckj s VAL 375 Cb -0.12 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2ckj s VAL 375 CO 0.22 -0.64 0.14 -0.24 -0.31 0.00 0.00 175.10 174.27 2ckj n SER 376 N 0.57 -0.38 -4.60 4.85 2.88 -1.20 -1.33 113.62 114.41 2ckj n SER 376 Ca -0.18 -1.80 -0.43 0.00 -1.33 0.00 0.00 58.87 55.14 2ckj n SER 376 Cb 0.59 0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 64.81 2ckj n SER 376 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ckj s ARG 377 N -2.43 3.79 -0.71 -1.46 1.70 -1.26 -2.56 118.95 116.02 2ckj s ARG 377 Ca 0.14 0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 55.96 2ckj s ARG 377 Cb 0.00 -3.85 0.00 0.00 -0.57 0.00 0.00 34.95 30.54 2ckj s ARG 377 CO 0.10 -1.15 0.59 0.41 -1.08 0.00 0.00 175.30 174.17 2ckj n GLY 378 N 4.54 0.17 3.02 3.88 0.00 -1.26 -5.10 105.19 110.44 2ckj n GLY 378 Ca 0.10 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2ckj n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 379 N -3.14 -0.03 -0.37 2.61 2.01 -1.06 -5.08 115.64 110.58 2ckj s THR 379 Ca 0.29 0.11 0.13 0.00 0.31 0.00 0.00 61.69 62.53 2ckj s THR 379 Cb -0.13 -0.30 0.39 0.00 0.01 0.00 0.00 72.50 72.47 2ckj s THR 379 CO 0.36 0.05 0.93 -1.14 -0.69 0.00 0.00 174.62 174.13 2ckj n ARG 380 N 3.83 1.06 -1.59 4.92 3.00 -1.26 -3.25 116.66 123.36 2ckj n ARG 380 Ca -0.22 -2.95 -0.37 0.00 -0.00 0.00 0.00 57.85 54.31 2ckj n ARG 380 Cb 0.54 -1.27 0.07 0.00 0.00 0.00 0.00 32.46 31.80 2ckj n ARG 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ckj n ARG 381 N 0.08 0.85 -3.44 -0.14 5.12 -1.22 -4.97 116.66 112.94 2ckj n ARG 381 Ca 0.14 0.34 -0.28 0.00 -1.93 0.00 0.00 57.85 56.12 2ckj n ARG 381 Cb 0.74 -2.28 -0.11 0.00 -1.16 0.00 0.00 32.46 29.65 2ckj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2ckj s THR 382 N -1.55 0.09 -0.02 0.55 2.01 -1.26 -3.24 115.64 112.23 2ckj s THR 382 Ca 0.78 -1.70 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2ckj s THR 382 Cb -0.39 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2ckj s THR 382 CO 0.45 -0.96 0.29 0.54 -0.69 0.00 0.00 174.62 174.25 2ckj s VAL 383 N 1.04 5.26 -0.07 3.82 0.11 -1.20 -4.96 120.40 124.40 2ckj s VAL 383 Ca 0.19 0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 59.38 2ckj s VAL 383 Cb -0.20 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2ckj s VAL 383 CO -0.01 0.47 0.67 -1.58 -3.33 0.00 0.00 175.10 171.32 2ckj s GLN 384 N -1.45 4.43 0.31 1.54 0.74 -1.26 -1.61 119.66 122.36 2ckj s GLN 384 Ca 0.24 0.83 -0.29 0.00 0.05 0.00 0.00 55.36 56.19 2ckj s GLN 384 Cb -0.14 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.43 2ckj s GLN 384 CO 0.13 0.08 1.33 1.41 -0.55 0.00 0.00 175.29 177.69 2ckj s MET 385 N 0.76 4.33 0.17 1.67 -2.45 -1.03 -4.94 119.30 117.82 2ckj s MET 385 Ca 0.36 2.23 -0.22 0.00 -1.25 0.00 0.00 55.69 56.81 2ckj s MET 385 Cb -0.17 -3.08 0.08 0.00 1.25 0.00 0.00 34.83 32.90 2ckj s MET 385 CO 0.17 -0.24 1.06 0.16 1.05 0.00 0.00 175.02 177.22 2ckj s ASP 386 N -0.29 0.01 0.28 1.11 -4.77 -1.26 -4.38 116.67 107.36 2ckj s ASP 386 Ca 0.51 -0.65 0.12 0.00 -3.30 0.00 0.00 52.55 49.23 2ckj s ASP 386 Cb -0.40 0.48 0.66 0.00 -1.09 0.00 0.00 42.92 42.57 2ckj s ASP 386 CO 0.51 -0.95 1.27 0.00 0.70 0.00 0.00 175.17 176.70 2ckj n HIS 387 N -0.72 0.41 0.24 2.11 1.44 -1.26 -0.44 115.22 116.99 2ckj n HIS 387 Ca -0.02 0.22 0.12 0.00 -2.01 0.00 0.00 57.72 56.02 2ckj n HIS 387 Cb 0.59 -0.67 0.13 0.00 0.12 0.00 0.00 29.99 30.16 2ckj n HIS 387 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ckj h THR 388 N 0.00 0.00 -0.08 0.61 1.03 -1.95 -3.37 112.91 109.14 2ckj h THR 388 Ca 0.00 -0.93 -0.19 0.00 -0.01 0.00 0.00 66.41 65.28 2ckj h THR 388 Cb 0.50 1.73 -0.00 0.00 -1.07 0.00 0.00 68.15 69.31 2ckj h THR 388 CO 0.00 0.00 -0.76 0.15 -0.01 0.00 0.00 175.52 174.90 2ckj h PHE 389 N 0.00 0.64 -3.21 0.00 3.57 -1.14 -3.38 116.94 113.42 2ckj h PHE 389 Ca 0.00 -0.29 -0.75 0.00 3.53 0.00 0.00 57.97 60.46 2ckj h PHE 389 Cb 0.96 -0.10 -0.26 0.00 2.79 0.00 0.00 35.95 39.35 2ckj h PHE 389 CO 0.00 1.06 -0.24 -0.06 -2.23 0.00 0.00 178.31 176.84 2ckj s PHE 390 N -3.61 3.34 -0.00 0.41 0.40 -1.26 -2.65 117.98 114.61 2ckj s PHE 390 Ca -0.06 -1.54 -0.24 0.00 -0.60 0.00 0.00 56.93 54.49 2ckj s PHE 390 Cb 0.10 -3.71 -0.18 0.00 0.51 0.00 0.00 43.02 39.74 2ckj s PHE 390 CO 0.85 -1.01 1.29 -1.00 0.70 0.00 0.00 175.22 176.06 2ckj h PRO 391 N 8.65 0.12 0.00 0.24 0.13 -1.74 -3.47 132.00 135.91 2ckj h PRO 391 Ca -0.24 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2ckj h PRO 391 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ckj h PRO 391 CO 0.96 0.57 -0.01 0.41 -0.23 0.00 0.00 178.00 179.70 2ckj n GLY 392 N 0.21 3.30 3.56 1.56 0.00 -1.26 -5.05 105.19 107.51 2ckj n GLY 392 Ca -0.08 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 2ckj n GLY 392 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ckj n TYR 393 N -0.03 1.67 -3.88 1.61 9.36 -1.26 -0.60 117.16 124.03 2ckj n TYR 393 Ca 0.00 0.03 -0.27 0.00 3.32 0.00 0.00 57.90 60.98 2ckj n TYR 393 Cb 0.03 -2.66 0.02 0.00 -0.63 0.00 0.00 39.34 36.09 2ckj n TYR 393 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2ckj n ARG 394 N 8.79 -4.75 -4.42 2.98 1.74 -1.26 -5.01 116.66 114.74 2ckj n ARG 394 Ca 0.35 0.55 -0.27 0.00 -0.77 0.00 0.00 57.85 57.71 2ckj n ARG 394 Cb 0.45 -5.20 -0.12 0.00 -1.02 0.00 0.00 32.46 26.57 2ckj n ARG 394 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ckj s LYS 395 N -6.43 1.54 0.00 5.56 1.02 0.24 -4.72 119.74 116.94 2ckj s LYS 395 Ca 0.35 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2ckj s LYS 395 Cb -0.18 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2ckj s LYS 395 CO 0.84 0.40 0.00 0.25 -0.92 0.00 0.00 175.35 175.93 2ckj n THR 396 N 0.29 0.00 0.88 2.17 -2.24 -1.26 -4.08 114.28 110.04 2ckj n THR 396 Ca -0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2ckj n THR 396 Cb 0.56 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.23 2ckj n THR 396 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ckj n LEU 397 N 0.00 0.35 -4.59 3.22 4.77 -1.09 -4.79 117.00 114.87 2ckj n LEU 397 Ca 0.00 0.36 -0.47 0.00 -0.03 0.00 0.00 56.01 55.88 2ckj n LEU 397 Cb 0.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2ckj n LEU 397 CO 0.00 -0.01 0.70 0.18 -1.33 0.00 0.00 177.39 176.93 2ckj n LEU 398 N -1.71 1.84 -4.90 2.23 7.99 -1.26 -5.03 117.00 116.15 2ckj n LEU 398 Ca 0.06 1.16 -0.28 0.00 -0.01 0.00 0.00 56.01 56.94 2ckj n LEU 398 Cb 0.37 -1.27 -0.02 0.00 -0.11 0.00 0.00 43.42 42.39 2ckj n LEU 398 CO 0.31 -1.24 0.36 -0.94 -1.51 0.00 0.00 177.39 174.37 2ckj s SER 399 N -0.19 6.37 0.49 -1.43 1.04 -1.26 -4.98 113.70 113.73 2ckj s SER 399 Ca 0.67 0.88 0.23 0.00 0.48 0.00 0.00 55.95 58.20 2ckj s SER 399 Cb -0.76 -2.22 1.28 0.00 0.10 0.00 0.00 66.02 64.42 2ckj s SER 399 CO 0.55 -0.42 1.95 -0.65 0.98 0.00 0.00 173.24 175.65 2ckj h PRO 400 N 0.83 0.15 -0.24 4.02 0.11 -1.96 0.25 132.00 135.15 2ckj h PRO 400 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ckj h PRO 400 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ckj h PRO 400 CO 0.63 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 2ckj n GLU 401 N -4.40 1.93 -3.39 1.05 4.71 -1.26 -4.82 120.64 114.45 2ckj n GLU 401 Ca 0.13 -1.40 -0.38 0.00 -0.01 0.00 0.00 57.16 55.50 2ckj n GLU 401 Cb 0.64 -1.41 -0.06 0.00 -1.01 0.00 0.00 31.44 29.60 2ckj n GLU 401 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ckj s GLU 402 N -1.69 4.12 0.07 3.49 2.02 0.87 -4.64 118.70 122.94 2ckj s GLU 402 Ca 0.33 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.89 2ckj s GLU 402 Cb 0.18 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2ckj s GLU 402 CO 0.26 0.51 -0.18 0.96 0.02 0.00 0.00 175.26 176.83 2ckj s ILE 403 N -0.53 2.82 -0.17 -1.63 -4.36 -0.44 -4.75 121.20 112.13 2ckj s ILE 403 Ca 0.26 -1.31 -0.29 0.00 -0.26 0.00 0.00 60.65 59.04 2ckj s ILE 403 Cb -0.17 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 2ckj s ILE 403 CO 0.14 0.24 1.45 -0.22 0.24 0.00 0.00 174.94 176.79 2ckj s LEU 404 N -1.73 4.09 -0.01 0.37 2.96 -1.26 -2.33 118.68 120.77 2ckj s LEU 404 Ca 0.16 1.72 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 2ckj s LEU 404 Cb -0.11 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2ckj s LEU 404 CO 0.07 -0.98 0.13 0.25 -1.32 0.00 0.00 176.35 174.50 2ckj h LEU 405 N 10.54 -0.02 -7.53 -0.68 5.85 -1.35 -3.43 115.31 118.69 2ckj h LEU 405 Ca -0.31 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.29 2ckj h LEU 405 Cb 1.13 0.01 -0.20 0.00 0.37 0.00 0.00 40.66 41.97 2ckj h LEU 405 CO 0.98 0.06 -0.29 -0.94 -0.34 0.00 0.00 178.44 177.91 2ckj s SER 406 N -3.30 -0.18 0.09 1.25 1.04 -1.04 -1.90 113.70 109.66 2ckj s SER 406 Ca -0.00 0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 2ckj s SER 406 Cb 0.00 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 2ckj s SER 406 CO 0.01 -0.44 0.35 -0.51 0.98 0.00 0.00 173.24 173.64 2ckj s ILE 407 N -1.31 5.18 -0.12 -1.02 1.10 -1.07 -0.29 121.20 123.67 2ckj s ILE 407 Ca -0.13 0.19 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 2ckj s ILE 407 Cb -0.05 -3.62 0.04 0.00 0.15 0.00 0.00 42.46 38.97 2ckj s ILE 407 CO 0.04 0.20 -0.02 -0.70 -2.11 0.00 0.00 174.94 172.34 2ckj s GLU 408 N -2.20 1.03 -0.12 3.50 2.12 -0.56 -1.25 118.70 121.21 2ckj s GLU 408 Ca 0.35 -0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 2ckj s GLU 408 Cb -0.13 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 2ckj s GLU 408 CO 0.21 -0.38 0.52 0.42 -0.54 0.00 0.00 175.26 175.49 2ckj s ILE 409 N 1.81 5.16 0.14 -3.70 1.01 -0.75 -2.40 121.20 122.48 2ckj s ILE 409 Ca 0.03 1.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.61 2ckj s ILE 409 Cb -0.14 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 2ckj s ILE 409 CO -0.07 0.30 0.48 -2.16 0.00 0.00 0.00 174.94 173.49 2ckj s PRO 410 N 0.76 3.83 0.82 2.79 0.04 -1.26 -2.37 135.00 139.62 2ckj s PRO 410 Ca 0.28 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 2ckj s PRO 410 Cb -0.16 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.58 2ckj s PRO 410 CO 0.11 0.47 1.09 0.71 0.04 0.00 0.00 177.00 179.43 2ckj s TYR 411 N -1.53 2.44 -0.11 0.56 1.51 -0.52 -4.63 117.35 115.07 2ckj s TYR 411 Ca 0.38 1.47 -0.14 0.00 -1.01 0.00 0.00 57.07 57.77 2ckj s TYR 411 Cb -0.14 -3.10 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 2ckj s TYR 411 CO 0.20 -2.05 0.33 0.45 -1.11 0.00 0.00 175.55 173.37 2ckj s SER 412 N -3.37 6.56 0.85 2.29 0.15 0.27 -4.97 113.70 115.48 2ckj s SER 412 Ca 0.62 0.66 -0.11 0.00 0.70 0.00 0.00 55.95 57.82 2ckj s SER 412 Cb -0.18 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 2ckj s SER 412 CO 0.56 0.17 1.09 -0.13 1.20 0.00 0.00 173.24 176.13 2ckj s ARG 413 N -0.02 1.65 -0.21 5.44 0.52 -1.26 -3.69 118.95 121.37 2ckj s ARG 413 Ca 0.19 0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 55.99 2ckj s ARG 413 Cb -0.14 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 2ckj s ARG 413 CO 0.07 -1.98 1.54 -1.21 0.02 0.00 0.00 175.30 173.74 2ckj s GLU 414 N -4.96 3.88 -0.06 3.54 0.41 -1.26 -2.38 118.70 117.87 2ckj s GLU 414 Ca 0.62 1.65 -0.00 0.00 -0.41 0.00 0.00 54.97 56.83 2ckj s GLU 414 Cb -0.17 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.19 2ckj s GLU 414 CO 0.56 -1.18 0.03 0.41 -0.49 0.00 0.00 175.26 174.59 2ckj n GLY 415 N 4.48 0.69 3.21 -1.39 0.00 -1.26 -4.92 105.19 105.99 2ckj n GLY 415 Ca 0.18 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2ckj n GLY 415 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ckj s GLU 416 N -4.66 3.11 -0.01 1.61 2.12 -1.00 -2.54 118.70 117.34 2ckj s GLU 416 Ca 0.01 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.63 2ckj s GLU 416 Cb -0.01 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 2ckj s GLU 416 CO 0.02 -0.06 -0.26 0.71 -0.54 0.00 0.00 175.26 175.13 2ckj s TYR 417 N 0.97 2.31 -0.03 5.30 4.12 0.13 -4.84 117.35 125.30 2ckj s TYR 417 Ca -0.03 -0.43 -0.01 0.00 0.02 0.00 0.00 57.07 56.62 2ckj s TYR 417 Cb -0.15 -1.47 0.03 0.00 -1.52 0.00 0.00 41.96 38.86 2ckj s TYR 417 CO -0.04 -0.00 0.05 0.12 0.02 0.00 0.00 175.55 175.70 2ckj s PHE 418 N -0.65 0.01 0.42 2.71 5.99 -1.26 -2.12 117.98 123.08 2ckj s PHE 418 Ca 0.10 0.22 0.03 0.00 0.00 0.00 0.00 56.93 57.29 2ckj s PHE 418 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 43.02 42.60 2ckj s PHE 418 CO -0.00 -0.13 0.09 -1.12 -0.00 0.00 0.00 175.22 174.06 2ckj s SER 419 N 1.44 3.03 0.01 6.13 0.01 -0.87 -4.79 113.70 118.66 2ckj s SER 419 Ca -0.05 -1.63 -0.00 0.00 1.31 0.00 0.00 55.95 55.59 2ckj s SER 419 Cb -0.13 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 2ckj s SER 419 CO -0.03 -0.86 -0.02 0.00 0.41 0.00 0.00 173.24 172.74 2ckj s ALA 420 N -3.14 0.08 0.01 1.44 0.00 -1.26 -2.17 121.76 116.71 2ckj s ALA 420 Ca 0.22 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2ckj s ALA 420 Cb 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2ckj s ALA 420 CO 0.12 -0.11 -0.05 -0.06 0.00 0.00 0.00 175.76 175.66 2ckj s PHE 421 N -1.03 0.48 -0.03 0.00 2.99 -0.62 -5.01 117.98 114.77 2ckj s PHE 421 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 56.93 56.57 2ckj s PHE 421 Cb -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 43.02 42.68 2ckj s PHE 421 CO -0.01 -0.04 0.01 0.21 -0.00 0.00 0.00 175.22 175.39 2ckj s LYS 422 N -0.70 0.23 -0.00 0.44 2.20 -1.26 -1.20 119.74 119.45 2ckj s LYS 422 Ca -0.03 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 2ckj s LYS 422 Cb -0.05 -0.44 -0.00 0.00 -1.51 0.00 0.00 37.83 35.82 2ckj s LYS 422 CO -0.00 -0.15 -0.05 -1.14 -0.36 0.00 0.00 175.35 173.66 2ckj s GLN 423 N 1.06 0.39 0.00 4.03 2.00 -0.68 -5.03 119.66 121.43 2ckj s GLN 423 Ca -0.09 -0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 2ckj s GLN 423 Cb -0.13 -0.37 0.00 0.00 0.80 0.00 0.00 33.01 33.30 2ckj s GLN 423 CO -0.02 0.10 0.00 0.00 -0.50 0.00 0.00 175.29 174.87 2ckj n ALA 424 N 2.94 0.00 0.08 1.58 0.00 -1.26 -3.67 120.51 120.17 2ckj n ALA 424 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2ckj n ALA 424 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2ckj n ALA 424 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 425 N 0.00 -1.17 0.00 0.00 3.41 -1.26 -4.88 113.62 109.72 2ckj n SER 425 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2ckj n SER 425 Cb 0.00 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 2ckj n SER 425 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ckj n ASP 430 N -2.84 0.00 -4.78 4.04 -0.08 -1.26 -5.02 116.55 106.61 2ckj n ASP 430 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 2ckj n ASP 430 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 2ckj n ASP 430 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2ckj s ILE 431 N 0.00 2.27 0.06 5.18 -5.25 -1.26 -3.98 121.20 118.22 2ckj s ILE 431 Ca 0.00 -1.63 0.00 0.00 -0.99 0.00 0.00 60.65 58.03 2ckj s ILE 431 Cb 0.00 -2.90 0.00 0.00 2.95 0.00 0.00 42.46 42.51 2ckj s ILE 431 CO 0.00 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.15 2ckj n ALA 432 N -1.34 -0.53 -0.60 2.27 0.00 -1.25 -4.97 120.51 114.09 2ckj n ALA 432 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2ckj n ALA 432 Cb 0.64 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 2ckj n ALA 432 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ckj n LYS 433 N -2.33 -0.11 -3.52 0.00 2.85 -1.26 -4.81 118.16 108.98 2ckj n LYS 433 Ca -0.00 0.07 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 2ckj n LYS 433 Cb 0.09 -0.13 -0.04 0.00 -0.65 0.00 0.00 35.03 34.30 2ckj n LYS 433 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2ckj s VAL 434 N -0.11 0.00 -0.05 0.58 -7.23 -1.24 -4.68 120.40 107.68 2ckj s VAL 434 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2ckj s VAL 434 Cb 0.00 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.96 2ckj s VAL 434 CO 0.00 0.00 0.26 0.28 -0.31 0.00 0.00 175.10 175.33 2ckj s THR 435 N -2.21 0.04 -0.06 5.32 -1.32 -0.92 -1.68 115.64 114.81 2ckj s THR 435 Ca -0.00 -0.33 -0.12 0.00 -1.21 0.00 0.00 61.69 60.03 2ckj s THR 435 Cb -0.01 -0.49 0.02 0.00 -1.51 0.00 0.00 72.50 70.52 2ckj s THR 435 CO -0.03 -0.18 0.28 -0.55 -2.21 0.00 0.00 174.62 171.94 2ckj s SER 436 N -0.74 -0.22 -0.08 8.08 0.15 -0.34 0.28 113.70 120.84 2ckj s SER 436 Ca -0.08 0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.89 2ckj s SER 436 Cb -0.04 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 2ckj s SER 436 CO 0.02 -0.28 -0.19 -0.83 1.20 0.00 0.00 173.24 173.16 2ckj s GLY 437 N -0.65 1.43 -0.04 9.45 0.00 -0.29 -1.59 107.32 115.63 2ckj s GLY 437 Ca -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.68 2ckj s GLY 437 CO 0.02 -0.55 -0.09 1.06 0.00 0.00 0.00 173.10 173.54 2ckj s MET 438 N -0.17 1.12 -0.03 2.90 -1.94 -0.92 -1.12 119.30 119.13 2ckj s MET 438 Ca -0.02 -0.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 2ckj s MET 438 Cb -0.14 -1.01 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2ckj s MET 438 CO 0.03 0.04 -0.09 0.50 -0.01 0.00 0.00 175.02 175.49 2ckj s ARG 439 N 0.51 1.05 -0.01 2.03 3.52 -0.27 -2.06 118.95 123.72 2ckj s ARG 439 Ca -0.09 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2ckj s ARG 439 Cb -0.12 -0.96 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 2ckj s ARG 439 CO 0.01 0.11 0.03 0.54 -0.81 0.00 0.00 175.30 175.18 2ckj s VAL 440 N 0.25 0.01 -0.03 7.11 0.11 -0.90 -1.55 120.40 125.40 2ckj s VAL 440 Ca -0.04 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2ckj s VAL 440 Cb -0.09 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2ckj s VAL 440 CO 0.01 -0.06 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.41 2ckj s LEU 441 N -0.18 1.68 0.20 2.54 2.96 -0.26 0.17 118.68 125.79 2ckj s LEU 441 Ca -0.02 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2ckj s LEU 441 Cb -0.01 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 2ckj s LEU 441 CO -0.00 0.04 0.05 -0.36 -1.32 0.00 0.00 176.35 174.76 2ckj s PHE 442 N 0.39 2.91 -0.01 5.38 0.40 -1.05 -0.49 117.98 125.51 2ckj s PHE 442 Ca -0.06 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 55.84 2ckj s PHE 442 Cb -0.11 -1.37 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 2ckj s PHE 442 CO 0.01 0.54 1.85 0.21 0.70 0.00 0.00 175.22 178.53 2ckj s LYS 443 N -3.26 4.12 0.62 0.44 2.20 -1.26 -4.69 119.74 117.91 2ckj s LYS 443 Ca 0.30 2.41 -0.18 0.00 -0.36 0.00 0.00 55.97 58.14 2ckj s LYS 443 Cb -0.09 -4.10 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2ckj s LYS 443 CO 0.21 -0.96 1.11 -0.35 -0.36 0.00 0.00 175.35 174.99 2ckj n PRO 444 N 7.43 0.98 -1.47 4.03 -0.04 -1.26 -2.97 135.00 141.71 2ckj n PRO 444 Ca 0.19 0.39 -0.16 0.00 -0.04 0.00 0.00 63.50 63.87 2ckj n PRO 444 Cb 0.42 -2.33 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 2ckj n PRO 444 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ckj n GLY 445 N 1.13 1.59 3.32 0.55 0.00 -1.26 -4.96 105.19 105.57 2ckj n GLY 445 Ca 0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2ckj n GLY 445 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ckj s THR 446 N -2.47 0.08 0.32 2.61 -4.23 -1.16 -5.13 115.64 105.66 2ckj s THR 446 Ca 0.00 -0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 2ckj s THR 446 Cb 0.00 -1.33 -0.10 0.00 1.34 0.00 0.00 72.50 72.41 2ckj s THR 446 CO 0.00 -0.36 1.32 0.28 -0.54 0.00 0.00 174.62 175.32 2ckj s THR 447 N -3.84 2.71 0.32 3.99 -1.32 -1.26 -4.44 115.64 111.79 2ckj s THR 447 Ca 0.06 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 2ckj s THR 447 Cb 0.02 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 2ckj s THR 447 CO -0.09 0.16 0.00 1.21 -2.21 0.00 0.00 174.62 173.69 2ckj n GLU 448 N 0.95 0.00 0.00 7.08 2.13 -1.26 -4.84 120.64 124.70 2ckj n GLU 448 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2ckj n GLU 448 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2ckj n GLU 448 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ckj n VAL 449 N -3.17 0.00 0.13 6.31 0.31 -1.26 -3.09 118.33 117.58 2ckj n VAL 449 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2ckj n VAL 449 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2ckj n VAL 449 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ckj h GLN 450 N 0.00 -0.41 -6.68 5.55 -0.00 -1.06 -1.93 115.11 110.58 2ckj h GLN 450 Ca 0.00 0.03 -0.68 0.00 -0.00 0.00 0.00 58.65 58.00 2ckj h GLN 450 Cb 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 27.48 27.32 2ckj h GLN 450 CO 0.00 -0.24 -0.87 -1.21 0.00 0.00 0.00 178.83 176.51 2ckj s GLU 451 N -3.04 1.67 -0.15 1.69 2.02 -1.10 -4.82 118.70 114.98 2ckj s GLU 451 Ca -0.07 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.68 2ckj s GLU 451 Cb 0.01 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.38 2ckj s GLU 451 CO 0.23 0.48 0.37 -1.17 0.02 0.00 0.00 175.26 175.19 2ckj s LEU 452 N -1.38 0.29 -0.17 1.80 2.96 -1.26 -1.11 118.68 119.81 2ckj s LEU 452 Ca 0.12 0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 54.73 2ckj s LEU 452 Cb -0.10 1.24 0.07 0.00 0.50 0.00 0.00 46.19 47.90 2ckj s LEU 452 CO 0.03 -0.16 0.38 0.00 -1.32 0.00 0.00 176.35 175.28 2ckj s ALA 453 N 0.82 -0.99 -0.33 5.97 0.00 -0.59 -4.84 121.76 121.79 2ckj s ALA 453 Ca -0.05 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 2ckj s ALA 453 Cb -0.06 -1.03 0.08 0.00 0.00 0.00 0.00 23.12 22.10 2ckj s ALA 453 CO -0.06 -0.45 0.05 -0.51 0.00 0.00 0.00 175.76 174.80 2ckj s LEU 454 N 1.86 4.39 -0.15 0.00 1.43 -1.26 -1.11 118.68 123.83 2ckj s LEU 454 Ca -0.06 -1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 51.35 2ckj s LEU 454 Cb -0.10 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2ckj s LEU 454 CO -0.12 -0.35 -0.09 0.00 0.23 0.00 0.00 176.35 176.01 2ckj s TYR 456 N 0.55 2.68 0.28 0.00 1.51 0.13 -1.13 117.35 121.36 2ckj s TYR 456 Ca -0.06 -1.61 -0.28 0.00 -1.01 0.00 0.00 57.07 54.11 2ckj s TYR 456 Cb -0.15 -1.85 -0.09 0.00 -0.11 0.00 0.00 41.96 39.76 2ckj s TYR 456 CO 0.03 -0.79 0.95 0.20 -1.11 0.00 0.00 175.55 174.83 2ckj s GLY 457 N 1.32 2.98 0.00 0.71 0.00 0.80 -2.40 107.32 110.73 2ckj s GLY 457 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2ckj s GLY 457 CO -0.12 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.69 2ckj n GLY 458 N 1.08 0.80 0.00 0.20 0.00 -1.19 -2.16 105.19 103.93 2ckj n GLY 458 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2ckj n GLY 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 459 N -2.19 2.15 -0.14 1.61 2.00 -1.26 -3.89 117.12 115.41 2ckj n MET 459 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.66 2ckj n MET 459 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.07 2ckj n MET 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ckj n ALA 460 N -1.49 0.00 -0.32 3.04 0.00 -1.26 -5.04 120.51 115.44 2ckj n ALA 460 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2ckj n ALA 460 Cb 0.23 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.06 2ckj n ALA 460 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ckj h ASN 461 N 0.00 0.36 -5.39 0.00 2.35 -1.97 -3.47 115.58 107.45 2ckj h ASN 461 Ca 0.00 0.18 -0.19 0.00 -0.55 0.00 0.00 56.30 55.74 2ckj h ASN 461 Cb 0.00 0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 2ckj h ASN 461 CO 0.00 -0.08 -0.12 -0.13 -1.65 0.00 0.00 177.43 175.46 2ckj s ARG 462 N -5.81 1.86 -0.39 0.81 0.52 -1.26 -4.31 118.95 110.37 2ckj s ARG 462 Ca -0.11 -1.60 -0.28 0.00 -0.52 0.00 0.00 55.73 53.22 2ckj s ARG 462 Cb 0.27 0.47 -0.02 0.00 0.52 0.00 0.00 34.95 36.19 2ckj s ARG 462 CO 0.78 -0.79 1.86 0.99 0.02 0.00 0.00 175.30 178.17 2ckj s THR 463 N -3.19 3.41 0.20 0.02 2.01 -1.26 -4.65 115.64 112.18 2ckj s THR 463 Ca 0.27 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.70 2ckj s THR 463 Cb -0.01 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2ckj s THR 463 CO 0.16 -0.48 0.24 0.27 -0.69 0.00 0.00 174.62 174.12 2ckj s ILE 464 N 7.69 4.83 -0.12 1.82 -4.36 -1.01 -4.92 121.20 125.14 2ckj s ILE 464 Ca 0.79 -1.07 -0.06 0.00 -0.26 0.00 0.00 60.65 60.04 2ckj s ILE 464 Cb -0.20 -3.55 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 2ckj s ILE 464 CO 0.30 -0.23 0.12 -0.55 0.24 0.00 0.00 174.94 174.82 2ckj s SER 465 N -3.56 6.18 0.00 4.36 0.15 -1.26 0.18 113.70 119.75 2ckj s SER 465 Ca 0.33 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2ckj s SER 465 Cb -0.09 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2ckj s SER 465 CO 0.26 0.38 0.00 0.00 1.20 0.00 0.00 173.24 175.09 2ckj n ALA 466 N 2.14 0.00 0.04 5.45 0.00 0.18 -4.80 120.51 123.53 2ckj n ALA 466 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 466 Cb 0.55 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.47 2ckj n ALA 466 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2ckj h LEU 467 N 0.00 0.37 -0.18 0.00 8.10 -1.95 -3.27 115.31 118.37 2ckj h LEU 467 Ca 0.00 -0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.03 2ckj h LEU 467 Cb 0.00 -0.09 -0.07 0.00 -0.44 0.00 0.00 40.66 40.06 2ckj h LEU 467 CO 0.00 0.26 -0.31 0.11 -4.11 0.00 0.00 178.44 174.40 2ckj h LYS 468 N 0.43 -0.34 -0.10 0.17 1.57 -1.99 0.19 116.57 116.50 2ckj h LYS 468 Ca 0.13 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2ckj h LYS 468 Cb 0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2ckj h LYS 468 CO -0.03 -0.23 0.03 1.15 -0.57 0.00 0.00 179.45 179.80 2ckj h THR 469 N -0.35 0.97 -0.49 -0.16 2.02 -1.89 -1.59 112.91 111.42 2ckj h THR 469 Ca 0.11 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.35 2ckj h THR 469 Cb 0.53 0.89 -0.10 0.00 -1.74 0.00 0.00 68.15 67.73 2ckj h THR 469 CO -0.38 0.01 -0.40 0.74 0.37 0.00 0.00 175.52 175.87 2ckj h THR 470 N 0.08 0.13 0.00 3.16 2.02 -1.72 -3.18 112.91 113.40 2ckj h THR 470 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2ckj h THR 470 Cb 0.02 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2ckj h THR 470 CO -0.05 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.51 2ckj n GLN 471 N -5.42 0.00 -0.38 6.66 -0.06 0.65 -2.21 117.38 116.62 2ckj n GLN 471 Ca 0.01 0.48 0.32 0.00 -2.00 0.00 0.00 57.00 55.82 2ckj n GLN 471 Cb 0.35 -0.99 0.54 0.00 -4.06 0.00 0.00 30.24 26.08 2ckj n GLN 471 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2ckj n ARG 472 N -0.97 -0.03 0.03 3.69 0.63 -1.20 0.84 116.66 119.66 2ckj n ARG 472 Ca 0.00 0.98 0.10 0.00 -0.92 0.00 0.00 57.85 58.02 2ckj n ARG 472 Cb 0.00 -1.95 0.44 0.00 0.45 0.00 0.00 32.46 31.40 2ckj n ARG 472 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ckj n GLN 473 N -4.23 0.06 -2.15 -0.14 1.13 -0.94 -4.84 117.38 106.27 2ckj n GLN 473 Ca 0.32 0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 2ckj n GLN 473 Cb 1.25 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.98 2ckj n GLN 473 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2ckj s LEU 474 N -3.42 4.39 -0.87 1.08 0.20 0.25 -2.60 118.68 117.71 2ckj s LEU 474 Ca 0.09 2.43 -0.15 0.00 0.69 0.00 0.00 54.13 57.18 2ckj s LEU 474 Cb 0.12 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 42.30 2ckj s LEU 474 CO 0.40 -0.62 0.54 -1.54 -0.29 0.00 0.00 176.35 174.84 2ckj n SER 475 N 3.17 -3.77 0.00 3.68 3.41 -0.73 -5.09 113.62 114.29 2ckj n SER 475 Ca 0.09 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2ckj n SER 475 Cb 0.42 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2ckj n SER 475 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ckj n LYS 476 N -3.41 3.19 -4.08 4.33 5.02 -1.07 -5.01 118.16 117.14 2ckj n LYS 476 Ca -0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 2ckj n LYS 476 Cb 0.54 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.42 2ckj n LYS 476 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ckj s LEU 477 N 0.00 2.15 -0.87 -0.35 1.02 -1.25 -4.38 118.68 115.01 2ckj s LEU 477 Ca 0.00 -0.36 -0.25 0.00 0.02 0.00 0.00 54.13 53.54 2ckj s LEU 477 Cb 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 46.19 45.96 2ckj s LEU 477 CO 0.00 -0.11 2.12 0.86 0.02 0.00 0.00 176.35 179.24 2ckj s TRP 478 N -0.87 1.56 0.18 0.29 -0.11 -1.26 -4.59 118.94 114.13 2ckj s TRP 478 Ca -0.06 1.15 -0.22 0.00 1.22 0.00 0.00 56.10 58.20 2ckj s TRP 478 Cb -0.07 -3.81 0.06 0.00 -1.50 0.00 0.00 33.47 28.15 2ckj s TRP 478 CO 0.00 -1.65 0.60 0.15 -4.62 0.00 0.00 176.95 171.43 2ckj s LYS 479 N 7.71 1.34 0.12 5.86 1.02 -1.26 -5.09 119.74 129.44 2ckj s LYS 479 Ca 0.78 -0.58 -0.17 0.00 0.02 0.00 0.00 55.97 56.02 2ckj s LYS 479 Cb -0.09 0.58 0.02 0.00 -0.52 0.00 0.00 37.83 37.82 2ckj s LYS 479 CO 0.03 -0.59 1.01 -1.91 -0.92 0.00 0.00 175.35 172.98 2ckj n GLU 480 N -0.38 -0.25 0.00 1.68 4.07 -1.26 -1.07 120.64 123.44 2ckj n GLU 480 Ca -0.15 1.00 0.10 0.00 -0.06 0.00 0.00 57.16 58.05 2ckj n GLU 480 Cb 0.64 -1.47 0.60 0.00 -0.06 0.00 0.00 31.44 31.14 2ckj n GLU 480 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ckj n GLU 481 N -4.87 0.56 -0.00 5.31 4.71 -1.26 -1.45 120.64 123.63 2ckj n GLU 481 Ca 0.03 0.03 -0.21 0.00 -0.01 0.00 0.00 57.16 57.00 2ckj n GLU 481 Cb 0.20 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.99 2ckj n GLU 481 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ckj h LEU 482 N 0.00 0.33 -1.22 -4.62 5.85 -1.35 -3.14 115.31 111.16 2ckj h LEU 482 Ca 0.00 -0.85 0.08 0.00 0.84 0.00 0.00 57.88 57.95 2ckj h LEU 482 Cb 0.06 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2ckj h LEU 482 CO 0.00 1.51 0.56 0.25 -0.34 0.00 0.00 178.44 180.42 2ckj h LEU 483 N -0.44 0.81 0.13 2.25 5.85 -1.19 -1.37 115.31 121.35 2ckj h LEU 483 Ca -0.25 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2ckj h LEU 483 Cb 1.63 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2ckj h LEU 483 CO 0.04 0.50 -0.06 1.56 -0.34 0.00 0.00 178.44 180.14 2ckj h GLN 484 N 0.91 -0.17 -0.56 1.25 1.08 -1.43 -3.14 115.11 113.05 2ckj h GLN 484 Ca 0.39 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.59 2ckj h GLN 484 Cb 0.31 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2ckj h GLN 484 CO -0.15 0.24 0.33 0.22 -0.95 0.00 0.00 178.83 178.51 2ckj h ASP 485 N -0.63 0.67 0.67 1.46 1.82 -1.40 -1.10 116.42 117.91 2ckj h ASP 485 Ca -0.02 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 2ckj h ASP 485 Cb 0.48 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.33 2ckj h ASP 485 CO 0.03 0.52 -0.32 0.58 -1.61 0.00 0.00 179.24 178.44 2ckj h VAL 486 N 0.77 0.33 -0.23 2.25 2.07 -1.40 -2.10 116.25 117.94 2ckj h VAL 486 Ca 0.20 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2ckj h VAL 486 Cb -0.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2ckj h VAL 486 CO -0.04 0.01 -0.00 0.00 0.02 0.00 0.00 177.57 177.56 2ckj h ALA 488 N 1.68 0.24 0.00 0.00 0.00 -1.17 -2.93 119.26 117.08 2ckj h ALA 488 Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ckj h ALA 488 Cb 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ckj h ALA 488 CO 0.01 -0.36 -0.03 0.78 0.00 0.00 0.00 179.25 179.65 2ckj h GLY 489 N 0.16 0.00 2.00 0.00 0.00 -0.63 -2.87 103.07 101.73 2ckj h GLY 489 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2ckj h GLY 489 CO -0.12 0.00 -0.36 1.41 0.00 0.00 0.00 176.54 177.47 2ckj h LEU 490 N 0.00 0.00 0.00 3.11 3.38 -0.81 -2.34 115.31 118.65 2ckj h LEU 490 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2ckj h LEU 490 Cb 0.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2ckj h LEU 490 CO 0.00 0.36 -1.11 0.00 0.09 0.00 0.00 178.44 177.79 2ckj h ALA 491 N 1.64 0.60 0.00 1.53 0.00 -1.33 -3.33 119.26 118.37 2ckj h ALA 491 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2ckj h ALA 491 Cb 1.06 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ckj h ALA 491 CO 0.05 1.05 -0.01 1.49 0.00 0.00 0.00 179.25 181.83 2ckj h GLU 492 N 0.00 0.00 -0.25 0.00 4.81 -1.54 -3.30 114.58 114.30 2ckj h GLU 492 Ca -0.10 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2ckj h GLU 492 Cb 1.66 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.97 2ckj h GLU 492 CO 0.08 0.00 -0.48 1.49 -0.73 0.00 0.00 179.01 179.37 2ckj h GLU 493 N -0.68 -0.40 -2.06 1.92 4.81 -1.61 -2.00 114.58 114.56 2ckj h GLU 493 Ca 0.00 0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.58 2ckj h GLU 493 Cb 0.01 0.09 -0.23 0.00 0.63 0.00 0.00 28.75 29.25 2ckj h GLU 493 CO 0.00 -0.27 0.90 1.28 -0.73 0.00 0.00 179.01 180.19 2ckj n LEU 494 N -5.03 7.16 -4.78 1.64 4.32 -1.25 -4.95 117.00 114.11 2ckj n LEU 494 Ca -0.04 -4.61 -0.37 0.00 -0.02 0.00 0.00 56.01 50.97 2ckj n LEU 494 Cb 0.31 -1.16 -0.06 0.00 -1.62 0.00 0.00 43.42 40.90 2ckj n LEU 494 CO 0.04 1.79 0.68 -2.28 -1.22 0.00 0.00 177.39 176.39 2ckj s HIS 495 N -3.07 3.64 -0.23 -1.77 2.46 -0.75 -4.91 115.29 110.65 2ckj s HIS 495 Ca 0.54 1.77 -0.09 0.00 0.47 0.00 0.00 55.06 57.74 2ckj s HIS 495 Cb 0.38 -2.99 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 2ckj s HIS 495 CO -0.30 0.03 0.12 -0.51 -2.47 0.00 0.00 174.74 171.61 2ckj s LEU 496 N -2.04 3.89 0.60 8.88 1.43 -1.26 -5.10 118.68 125.09 2ckj s LEU 496 Ca 0.50 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 2ckj s LEU 496 Cb -0.21 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2ckj s LEU 496 CO 0.26 0.05 1.16 -2.16 0.23 0.00 0.00 176.35 175.90 2ckj s PRO 497 N 1.11 3.02 0.51 1.29 0.04 -1.26 -4.95 135.00 134.76 2ckj s PRO 497 Ca 0.06 1.67 0.29 0.00 0.04 0.00 0.00 61.00 63.06 2ckj s PRO 497 Cb -0.14 -1.95 1.20 0.00 0.04 0.00 0.00 34.50 33.65 2ckj s PRO 497 CO 0.04 -1.13 1.93 -1.35 0.04 0.00 0.00 177.00 176.53 2ckj h PRO 498 N 0.76 0.00 0.00 0.56 0.11 -2.03 -2.64 132.00 128.76 2ckj h PRO 498 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ckj h PRO 498 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ckj h PRO 498 CO 0.55 0.10 0.00 0.38 -0.21 0.00 0.00 178.00 178.82 2ckj h ASP 499 N 0.00 0.00 -1.36 -2.05 2.03 -2.03 -3.48 116.42 109.53 2ckj h ASP 499 Ca -0.00 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.64 2ckj h ASP 499 Cb 0.59 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.20 2ckj h ASP 499 CO 0.01 0.00 -0.35 0.00 -1.03 0.00 0.00 179.24 177.88 2ckj n ALA 500 N -2.04 -2.25 -1.80 4.15 0.00 -1.00 -4.70 120.51 112.86 2ckj n ALA 500 Ca 0.01 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 2ckj n ALA 500 Cb 0.28 -1.72 0.04 0.00 0.00 0.00 0.00 19.45 18.06 2ckj n ALA 500 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ckj s PRO 501 N -1.09 2.92 0.00 0.00 0.04 -1.26 -3.36 135.00 132.25 2ckj s PRO 501 Ca 0.64 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2ckj s PRO 501 Cb -0.88 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2ckj s PRO 501 CO 0.57 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2ckj n GLY 502 N -2.73 2.95 7.00 0.56 0.00 -1.26 -4.74 105.19 106.97 2ckj n GLY 502 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2ckj n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 503 N 0.00 -0.87 2.07 -0.02 0.00 -1.21 -4.89 105.19 100.26 2ckj n GLY 503 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 2ckj n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 504 N -0.05 -0.14 0.25 1.61 2.81 -1.26 -4.88 117.12 115.47 2ckj n MET 504 Ca 0.00 0.34 -0.17 0.00 -1.81 0.00 0.00 57.70 56.07 2ckj n MET 504 Cb 0.00 -3.73 -0.08 0.00 -0.71 0.00 0.00 33.22 28.70 2ckj n MET 504 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 2ckj h VAL 505 N 0.00 0.17 0.00 2.03 -1.51 -1.95 -2.25 116.25 112.74 2ckj h VAL 505 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2ckj h VAL 505 Cb 0.10 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 2ckj h VAL 505 CO 0.03 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.84 2ckj n ASP 506 N -5.51 0.29 0.14 4.19 9.92 -1.26 0.21 116.55 124.53 2ckj n ASP 506 Ca -0.11 0.63 -0.07 0.00 -0.53 0.00 0.00 54.79 54.72 2ckj n ASP 506 Cb 0.40 -0.67 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 2ckj n ASP 506 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2ckj h PHE 507 N 0.00 -0.40 -1.05 1.24 3.57 -1.79 -2.32 116.94 116.19 2ckj h PHE 507 Ca 0.00 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.77 2ckj h PHE 507 Cb 0.03 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 2ckj h PHE 507 CO 0.00 -0.25 0.69 0.00 -2.23 0.00 0.00 178.31 176.52 2ckj h ARG 508 N -1.06 0.32 0.00 1.11 3.08 -1.31 -2.48 114.38 114.05 2ckj h ARG 508 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2ckj h ARG 508 Cb 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2ckj h ARG 508 CO 0.07 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 2ckj n THR 510 N -1.33 -0.25 -0.29 0.00 -1.04 -0.88 -0.19 114.28 110.31 2ckj n THR 510 Ca 0.00 1.36 -0.01 0.00 -2.04 0.00 0.00 64.05 63.36 2ckj n THR 510 Cb 0.00 -2.22 0.11 0.00 -1.82 0.00 0.00 70.33 66.40 2ckj n THR 510 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ckj h LEU 511 N 0.00 0.80 -0.78 -4.42 3.38 -1.55 0.14 115.31 112.88 2ckj h LEU 511 Ca 0.60 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.76 2ckj h LEU 511 Cb 1.74 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 42.19 2ckj h LEU 511 CO -0.46 0.54 0.04 0.71 0.09 0.00 0.00 178.44 179.37 2ckj h THR 512 N 0.94 0.33 0.00 0.22 1.35 -0.73 -0.56 112.91 114.48 2ckj h THR 512 Ca 0.33 -0.04 -0.12 0.00 -0.55 0.00 0.00 66.41 66.03 2ckj h THR 512 Cb 0.08 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2ckj h THR 512 CO -0.14 0.02 -0.47 -0.07 -0.25 0.00 0.00 175.52 174.62 2ckj h LEU 513 N 0.12 0.41 -1.35 3.87 3.38 -0.89 -2.90 115.31 117.95 2ckj h LEU 513 Ca 0.44 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2ckj h LEU 513 Cb 0.79 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ckj h LEU 513 CO -0.67 1.13 -0.20 0.28 0.09 0.00 0.00 178.44 179.07 2ckj h SER 514 N -0.27 0.17 -0.38 -0.43 0.02 -1.01 0.66 113.55 112.32 2ckj h SER 514 Ca -0.06 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2ckj h SER 514 Cb 1.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2ckj h SER 514 CO 0.09 0.39 0.02 -0.26 -1.14 0.00 0.00 176.83 175.94 2ckj h PHE 515 N 0.17 0.70 -0.70 3.45 0.05 -1.20 0.11 116.94 119.52 2ckj h PHE 515 Ca 0.03 -0.11 -0.03 0.00 3.82 0.00 0.00 57.97 61.68 2ckj h PHE 515 Cb 0.46 -0.19 -0.03 0.00 2.00 0.00 0.00 35.95 38.19 2ckj h PHE 515 CO 0.01 0.73 0.32 0.35 -0.18 0.00 0.00 178.31 179.53 2ckj h PHE 516 N 0.48 1.03 0.05 -0.55 3.57 0.27 -1.87 116.94 119.91 2ckj h PHE 516 Ca 0.11 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2ckj h PHE 516 Cb 0.43 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2ckj h PHE 516 CO 0.03 0.77 -0.02 0.35 -2.23 0.00 0.00 178.31 177.21 2ckj h PHE 517 N 0.98 -0.06 -0.97 0.41 3.04 -0.00 1.00 116.94 121.34 2ckj h PHE 517 Ca 0.24 -0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.49 2ckj h PHE 517 Cb 0.14 0.02 -0.15 0.00 2.56 0.00 0.00 35.95 38.53 2ckj h PHE 517 CO 0.01 0.17 0.46 0.87 -2.02 0.00 0.00 178.31 177.81 2ckj h LYS 518 N -0.30 0.27 -0.06 1.11 1.57 -0.59 -1.84 116.57 116.73 2ckj h LYS 518 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2ckj h LYS 518 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ckj h LYS 518 CO 0.01 0.18 -0.32 0.35 -0.57 0.00 0.00 179.45 179.10 2ckj h PHE 519 N 0.28 0.43 -0.83 -1.35 3.57 0.13 -2.42 116.94 116.74 2ckj h PHE 519 Ca 0.69 -0.20 0.10 0.00 3.53 0.00 0.00 57.97 62.09 2ckj h PHE 519 Cb 1.53 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.13 2ckj h PHE 519 CO -0.09 0.94 0.47 -0.92 -2.23 0.00 0.00 178.31 176.48 2ckj h TYR 520 N -0.20 0.85 0.28 0.41 -0.00 0.17 -2.04 116.97 116.44 2ckj h TYR 520 Ca -0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 2ckj h TYR 520 Cb 0.99 -0.26 0.00 0.00 -0.00 0.00 0.00 36.73 37.46 2ckj h TYR 520 CO 0.14 0.33 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.43 2ckj h LEU 521 N 0.78 -0.31 0.00 2.82 3.38 -1.21 -2.99 115.31 117.77 2ckj h LEU 521 Ca 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ckj h LEU 521 Cb 0.40 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ckj h LEU 521 CO -0.26 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.69 2ckj n THR 522 N -5.10 1.37 0.21 0.22 -2.24 -0.91 -0.80 114.28 107.03 2ckj n THR 522 Ca -0.09 0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.95 2ckj n THR 522 Cb 0.26 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 2ckj n THR 522 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ckj h VAL 523 N 0.00 0.00 -0.85 2.28 2.07 -1.24 -3.37 116.25 115.13 2ckj h VAL 523 Ca 0.00 -0.21 0.22 0.00 0.82 0.00 0.00 66.70 67.53 2ckj h VAL 523 Cb 0.12 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 2ckj h VAL 523 CO 0.00 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.66 2ckj h LEU 524 N -0.77 -0.16 -2.07 2.57 3.38 -0.91 1.78 115.31 119.12 2ckj h LEU 524 Ca -0.06 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2ckj h LEU 524 Cb 0.43 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2ckj h LEU 524 CO 0.09 -0.18 0.33 -0.61 0.09 0.00 0.00 178.44 178.16 2ckj h GLN 525 N 0.15 0.00 -0.59 1.13 5.75 -1.67 -1.28 115.11 118.61 2ckj h GLN 525 Ca 0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 2ckj h GLN 525 Cb 1.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.56 2ckj h GLN 525 CO -0.69 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 176.66 2ckj n LYS 526 N -3.26 4.20 0.00 1.69 0.00 0.60 -4.84 118.16 116.56 2ckj n LYS 526 Ca 0.01 -3.00 0.00 0.00 0.00 0.00 0.00 58.31 55.32 2ckj n LYS 526 Cb 0.43 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 33.41 2ckj n LYS 526 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 527 N 0.80 0.00 -4.68 3.14 4.32 -0.48 -5.11 117.00 114.99 2ckj n LEU 527 Ca 0.26 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.83 2ckj n LEU 527 Cb 1.02 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.80 2ckj n LEU 527 CO 0.27 0.00 1.02 -0.83 -1.22 0.00 0.00 177.39 176.63 2ckj s GLY 528 N 0.00 1.98 -0.27 -0.72 0.00 -1.26 -5.03 107.32 102.02 2ckj s GLY 528 Ca 0.00 0.68 0.22 0.00 0.00 0.00 0.00 44.72 45.62 2ckj s GLY 528 CO 0.00 2.34 1.13 0.61 0.00 0.00 0.00 173.10 177.17 2ckj n GLN 529 N 5.42 1.67 0.00 2.90 0.00 -1.25 -4.80 117.38 121.32 2ckj n GLN 529 Ca 0.12 -3.36 0.00 0.00 0.00 0.00 0.00 57.00 53.75 2ckj n GLN 529 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.22 2ckj n GLN 529 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ckj n GLU 530 N -0.62 0.00 -2.67 2.61 -0.58 -1.26 -4.57 120.64 113.54 2ckj n GLU 530 Ca 0.06 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 2ckj n GLU 530 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.64 2ckj n GLU 530 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2ckj s ASN 531 N 0.00 7.40 0.00 1.62 3.04 -1.26 -5.01 114.94 120.73 2ckj s ASN 531 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 52.86 54.70 2ckj s ASN 531 Cb 0.00 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.13 2ckj s ASN 531 CO 0.00 -0.18 0.07 0.18 -3.04 0.00 0.00 177.10 174.13 2ckj n LEU 532 N 3.19 1.10 -1.59 3.21 4.77 -1.26 -5.30 117.00 121.13 2ckj n LEU 532 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2ckj n LEU 532 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2ckj n LEU 532 CO 0.52 0.00 -0.28 1.21 -1.33 0.00 0.00 177.39 177.51 2ckj n GLU 533 N -0.26 -3.10 0.00 3.23 2.13 -1.26 -5.29 120.64 116.10 2ckj n GLU 533 Ca 0.00 2.43 0.00 0.00 0.66 0.00 0.00 57.16 60.25 2ckj n GLU 533 Cb 0.00 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.03 2ckj n GLU 533 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ckj n VAL 558 N 1.07 0.00 -3.65 6.31 0.31 -1.26 -5.35 118.33 115.77 2ckj n VAL 558 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2ckj n VAL 558 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2ckj n VAL 558 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2ckj s GLN 559 N -4.03 0.63 0.19 5.55 1.11 -1.26 -2.92 119.66 118.93 2ckj s GLN 559 Ca 0.00 1.36 0.03 0.00 0.01 0.00 0.00 55.36 56.76 2ckj s GLN 559 Cb 0.00 0.57 -0.05 0.00 -1.01 0.00 0.00 33.01 32.53 2ckj s GLN 559 CO 0.00 -0.18 -0.03 -0.48 0.01 0.00 0.00 175.29 174.61 2ckj s LEU 560 N 2.39 2.28 0.00 2.90 0.05 -0.98 -4.95 118.68 120.37 2ckj s LEU 560 Ca -0.08 -1.14 -0.13 0.00 0.05 0.00 0.00 54.13 52.83 2ckj s LEU 560 Cb -0.09 -0.24 0.05 0.00 -2.05 0.00 0.00 46.19 43.86 2ckj s LEU 560 CO -0.19 -0.47 0.66 2.22 -0.55 0.00 0.00 176.35 178.02 2ckj n PHE 561 N -0.30 -1.67 -4.48 3.48 1.16 -1.26 -1.65 117.46 112.75 2ckj n PHE 561 Ca -0.07 -1.21 -0.34 0.00 -1.87 0.00 0.00 57.45 53.96 2ckj n PHE 561 Cb 0.63 0.60 -0.10 0.00 -1.61 0.00 0.00 39.48 38.99 2ckj n PHE 561 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2ckj s GLN 562 N -2.05 2.87 0.56 3.97 0.74 -1.26 -4.82 119.66 119.67 2ckj s GLN 562 Ca 0.14 -0.48 -0.18 0.00 0.05 0.00 0.00 55.36 54.90 2ckj s GLN 562 Cb -0.03 -2.70 -0.05 0.00 1.10 0.00 0.00 33.01 31.33 2ckj s GLN 562 CO 0.07 0.68 1.06 -2.00 -0.55 0.00 0.00 175.29 174.56 2ckj s GLU 563 N -0.88 3.43 0.37 1.67 2.56 -1.26 -5.03 118.70 119.55 2ckj s GLU 563 Ca 0.13 1.32 -0.24 0.00 0.00 0.00 0.00 54.97 56.18 2ckj s GLU 563 Cb -0.11 -2.04 -0.10 0.00 2.00 0.00 0.00 34.13 33.88 2ckj s GLU 563 CO 0.02 -0.74 0.96 0.14 -0.56 0.00 0.00 175.26 175.09 2ckj s VAL 564 N -2.21 4.19 0.00 3.70 -7.23 -1.26 -4.94 120.40 112.64 2ckj s VAL 564 Ca 0.66 1.63 0.00 0.00 -1.81 0.00 0.00 61.98 62.46 2ckj s VAL 564 Cb -0.17 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2ckj s VAL 564 CO 0.31 -0.03 0.00 -2.65 -0.31 0.00 0.00 175.10 172.42 2ckj n PRO 565 N 0.05 0.00 -0.05 4.82 -0.02 -1.26 -4.92 135.00 133.63 2ckj n PRO 565 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 2ckj n PRO 565 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.98 2ckj n PRO 565 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ckj n LYS 566 N 0.00 -0.05 0.00 -0.52 4.76 -1.26 -3.47 118.16 117.62 2ckj n LYS 566 Ca 0.00 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 2ckj n LYS 566 Cb 0.00 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 2ckj n LYS 566 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ckj n GLY 567 N -1.03 -2.56 2.47 0.72 0.00 -1.26 -5.00 105.19 98.53 2ckj n GLY 567 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 2ckj n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLN 568 N -2.26 0.00 -2.61 1.61 10.64 -1.23 -4.91 117.38 118.62 2ckj n GLN 568 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 2ckj n GLN 568 Cb 0.00 -0.78 -0.04 0.00 -0.86 0.00 0.00 30.24 28.55 2ckj n GLN 568 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2ckj s SER 569 N -0.78 6.52 0.52 2.61 0.15 -1.26 -4.92 113.70 116.53 2ckj s SER 569 Ca 0.39 1.88 0.32 0.00 0.70 0.00 0.00 55.95 59.25 2ckj s SER 569 Cb -0.29 -2.56 1.46 0.00 -1.71 0.00 0.00 66.02 62.92 2ckj s SER 569 CO 0.57 -0.66 1.83 -0.33 1.20 0.00 0.00 173.24 175.85 2ckj h GLU 570 N 1.73 0.06 -0.15 5.44 4.39 -2.00 -2.70 114.58 121.36 2ckj h GLU 570 Ca -0.49 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2ckj h GLU 570 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2ckj h GLU 570 CO 0.60 0.04 0.00 -0.85 -1.16 0.00 0.00 179.01 177.64 2ckj n GLU 571 N -4.28 2.71 -2.89 2.33 0.28 -1.26 -4.83 120.64 112.71 2ckj n GLU 571 Ca 0.23 -1.68 -0.42 0.00 -0.16 0.00 0.00 57.16 55.14 2ckj n GLU 571 Cb 1.10 -1.12 -0.04 0.00 1.43 0.00 0.00 31.44 32.81 2ckj n GLU 571 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ckj s ASP 572 N -0.96 6.91 0.00 -1.84 -1.08 -1.02 -4.52 116.67 114.17 2ckj s ASP 572 Ca 0.10 1.13 0.09 0.00 -0.52 0.00 0.00 52.55 53.35 2ckj s ASP 572 Cb 0.05 -2.45 0.07 0.00 -1.46 0.00 0.00 42.92 39.13 2ckj s ASP 572 CO 0.07 -0.44 0.78 0.23 0.52 0.00 0.00 175.17 176.33 2ckj n MET 573 N 5.52 0.33 -2.01 4.34 2.81 -1.26 -4.73 117.12 122.13 2ckj n MET 573 Ca 0.05 -1.02 -0.42 0.00 -1.81 0.00 0.00 57.70 54.50 2ckj n MET 573 Cb 0.48 -1.17 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 2ckj n MET 573 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ckj s VAL 574 N -0.77 3.25 0.00 2.03 1.01 -1.26 -2.37 120.40 122.29 2ckj s VAL 574 Ca 0.10 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2ckj s VAL 574 Cb 0.08 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2ckj s VAL 574 CO 0.12 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2ckj n GLY 575 N 3.92 2.97 3.90 4.51 0.00 0.20 -5.00 105.19 115.68 2ckj n GLY 575 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2ckj n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 576 N -0.88 3.62 -1.45 1.61 0.52 -1.00 -4.59 118.95 116.79 2ckj s ARG 576 Ca 0.00 -0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 2ckj s ARG 576 Cb 0.00 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.65 2ckj s ARG 576 CO 0.00 0.48 2.49 -0.35 0.02 0.00 0.00 175.30 177.94 2ckj n PRO 577 N 0.14 3.86 -3.15 3.54 -0.04 -1.26 -4.59 135.00 133.49 2ckj n PRO 577 Ca -0.03 -2.89 -0.39 0.00 -0.04 0.00 0.00 63.50 60.15 2ckj n PRO 577 Cb 0.52 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 2ckj n PRO 577 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ckj s LEU 578 N -0.33 4.21 0.26 1.53 2.96 -1.26 -4.78 118.68 121.26 2ckj s LEU 578 Ca 0.56 0.90 -0.31 0.00 -0.22 0.00 0.00 54.13 55.06 2ckj s LEU 578 Cb 0.16 -2.88 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 2ckj s LEU 578 CO -0.07 -0.17 1.56 -0.81 -1.32 0.00 0.00 176.35 175.55 2ckj n PRO 579 N 4.43 2.50 -0.04 0.98 -0.04 -1.26 -4.82 135.00 136.76 2ckj n PRO 579 Ca -0.03 0.89 -0.02 0.00 -0.04 0.00 0.00 63.50 64.31 2ckj n PRO 579 Cb 0.51 -2.65 -0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2ckj n PRO 579 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ckj n HIS 580 N 2.42 0.03 0.04 0.54 -0.00 -1.26 -4.70 115.22 112.29 2ckj n HIS 580 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2ckj n HIS 580 Cb 0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 2ckj n HIS 580 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2ckj n LEU 581 N 0.27 0.00 -0.57 0.27 4.77 -1.26 -1.34 117.00 119.15 2ckj n LEU 581 Ca 0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2ckj n LEU 581 Cb -0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ckj n LEU 581 CO 0.03 -0.07 0.24 0.00 -1.33 0.00 0.00 177.39 176.26 2ckj n ALA 582 N -0.57 2.03 0.07 -1.18 0.00 -1.26 -4.83 120.51 114.76 2ckj n ALA 582 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 53.44 52.42 2ckj n ALA 582 Cb 0.15 -0.48 0.34 0.00 0.00 0.00 0.00 19.45 19.45 2ckj n ALA 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 583 N 0.06 1.41 0.97 0.00 0.00 -1.54 -1.22 119.26 118.95 2ckj h ALA 583 Ca -0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2ckj h ALA 583 Cb 1.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2ckj h ALA 583 CO 0.01 0.41 -0.47 -0.44 0.00 0.00 0.00 179.25 178.76 2ckj h ASP 584 N 0.32 -1.11 -0.37 0.00 5.19 -1.88 0.19 116.42 118.76 2ckj h ASP 584 Ca 0.06 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.62 2ckj h ASP 584 Cb 0.41 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 2ckj h ASP 584 CO 0.02 -0.78 0.31 0.24 -3.12 0.00 0.00 179.24 175.92 2ckj h MET 585 N -1.33 0.00 -0.10 3.56 2.86 -1.91 0.17 114.93 118.18 2ckj h MET 585 Ca -0.13 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.30 2ckj h MET 585 Cb 1.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.67 2ckj h MET 585 CO 0.22 0.00 -0.74 1.96 1.06 0.00 0.00 176.91 179.40 2ckj h GLN 586 N 0.00 0.69 0.00 1.72 4.20 -0.68 -1.24 115.11 119.80 2ckj h GLN 586 Ca 0.18 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2ckj h GLN 586 Cb 0.80 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2ckj h GLN 586 CO -0.00 1.21 0.00 0.00 -0.67 0.00 0.00 178.83 179.37 2ckj h ALA 587 N 0.49 1.00 -0.33 3.87 0.00 0.76 -3.13 119.26 121.92 2ckj h ALA 587 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ckj h ALA 587 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ckj h ALA 587 CO 0.15 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 2ckj n SER 588 N -2.70 3.39 0.00 0.00 3.41 0.45 -4.72 113.62 113.45 2ckj n SER 588 Ca 0.01 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2ckj n SER 588 Cb 0.25 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2ckj n SER 588 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 589 N 1.47 2.78 0.11 5.00 0.00 -1.18 -4.60 105.19 108.76 2ckj n GLY 589 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 2ckj n GLY 589 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ckj h GLU 590 N 0.53 0.00 -6.69 1.61 5.08 -1.55 -3.43 114.58 110.14 2ckj h GLU 590 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2ckj h GLU 590 Cb 0.00 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.31 2ckj h GLU 590 CO 0.00 0.76 0.86 0.00 -1.00 0.00 0.00 179.01 179.63 2ckj s ALA 591 N -3.10 3.75 -0.28 3.43 0.00 -0.60 -4.91 121.76 120.05 2ckj s ALA 591 Ca 0.01 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 2ckj s ALA 591 Cb 0.11 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2ckj s ALA 591 CO 0.78 -0.82 0.49 0.08 0.00 0.00 0.00 175.76 176.28 2ckj s VAL 592 N 0.60 5.08 0.00 0.00 1.01 -1.26 -4.91 120.40 120.93 2ckj s VAL 592 Ca 0.66 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2ckj s VAL 592 Cb -0.45 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2ckj s VAL 592 CO 0.38 0.06 0.00 -1.22 0.00 0.00 0.00 175.10 174.32 2ckj n TYR 593 N 5.53 0.00 -0.00 5.22 4.01 -1.26 -4.80 117.16 125.85 2ckj n TYR 593 Ca -0.05 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2ckj n TYR 593 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2ckj n TYR 593 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ckj n ASP 595 N -2.50 0.00 -0.02 0.00 2.03 -1.26 -1.95 116.55 112.85 2ckj n ASP 595 Ca -0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2ckj n ASP 595 Cb 0.01 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.25 2ckj n ASP 595 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ckj n ASP 596 N 0.06 0.02 -4.72 1.67 8.00 -1.26 -4.80 116.55 115.53 2ckj n ASP 596 Ca 0.00 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 2ckj n ASP 596 Cb 0.00 1.79 -0.03 0.00 -0.02 0.00 0.00 41.12 42.86 2ckj n ASP 596 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ckj s ILE 597 N -3.33 3.86 0.97 0.53 -1.09 -0.82 -4.90 121.20 116.42 2ckj s ILE 597 Ca -0.08 1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.60 2ckj s ILE 597 Cb 0.12 -3.88 0.15 0.00 -1.58 0.00 0.00 42.46 37.28 2ckj s ILE 597 CO 0.89 0.13 0.99 -2.65 -1.23 0.00 0.00 174.94 173.07 2ckj n PRO 598 N 3.68 -0.79 -1.30 2.79 -0.02 -1.26 -5.03 135.00 133.07 2ckj n PRO 598 Ca 0.08 -0.17 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 2ckj n PRO 598 Cb 0.46 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.83 2ckj n PRO 598 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ckj s ARG 599 N -4.43 0.92 0.51 -0.52 1.81 -1.26 -5.05 118.95 110.93 2ckj s ARG 599 Ca 0.66 0.54 0.09 0.00 -1.72 0.00 0.00 55.73 55.29 2ckj s ARG 599 Cb -0.23 -1.79 0.05 0.00 -0.45 0.00 0.00 34.95 32.53 2ckj s ARG 599 CO 0.61 -2.40 0.66 0.71 -0.68 0.00 0.00 175.30 174.19 2ckj s TYR 600 N -3.05 2.01 -1.74 -0.53 1.51 -1.26 -4.96 117.35 109.33 2ckj s TYR 600 Ca 0.64 -0.60 0.26 0.00 -1.01 0.00 0.00 57.07 56.36 2ckj s TYR 600 Cb -0.17 -2.25 1.47 0.00 -0.11 0.00 0.00 41.96 40.90 2ckj s TYR 600 CO 0.56 -0.78 1.92 -0.85 -1.11 0.00 0.00 175.55 175.29 2ckj n GLU 601 N -2.02 0.62 -2.50 -0.62 0.28 -1.26 -2.95 120.64 112.19 2ckj n GLU 601 Ca 0.11 0.02 -0.19 0.00 -0.16 0.00 0.00 57.16 56.94 2ckj n GLU 601 Cb 0.61 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.00 2ckj n GLU 601 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2ckj n ASN 602 N -1.13 3.45 -4.67 -1.84 6.94 -1.26 -5.09 115.26 111.67 2ckj n ASN 602 Ca 0.17 -3.26 -0.37 0.00 -0.02 0.00 0.00 54.58 51.10 2ckj n ASN 602 Cb 0.14 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 37.00 2ckj n ASN 602 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ckj s GLU 603 N -3.44 4.08 0.66 -3.83 2.12 -1.15 -4.42 118.70 112.72 2ckj s GLU 603 Ca 0.40 -0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.43 2ckj s GLU 603 Cb 0.41 -3.53 0.04 0.00 0.26 0.00 0.00 34.13 31.31 2ckj s GLU 603 CO -0.07 0.07 0.98 -0.51 -0.54 0.00 0.00 175.26 175.18 2ckj s LEU 604 N 1.03 2.98 0.07 2.70 1.43 0.31 -4.89 118.68 122.29 2ckj s LEU 604 Ca 0.08 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2ckj s LEU 604 Cb -0.13 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2ckj s LEU 604 CO 0.04 -1.38 0.22 -0.44 0.23 0.00 0.00 176.35 175.02 2ckj s SER 605 N -4.43 6.37 0.01 2.29 0.01 0.96 -1.70 113.70 117.20 2ckj s SER 605 Ca 0.58 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2ckj s SER 605 Cb -0.11 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2ckj s SER 605 CO 0.45 0.16 0.00 -0.11 0.41 0.00 0.00 173.24 174.15 2ckj n LEU 606 N 0.27 0.00 0.00 2.44 0.00 -0.48 -1.27 117.00 117.95 2ckj n LEU 606 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 56.01 55.93 2ckj n LEU 606 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 2ckj n LEU 606 CO 0.52 -0.07 0.00 -1.14 0.00 0.00 0.00 177.39 176.70 2ckj n ARG 607 N -0.15 0.00 -4.37 1.96 0.63 -1.25 -4.82 116.66 108.67 2ckj n ARG 607 Ca -0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2ckj n ARG 607 Cb 0.01 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.79 2ckj n ARG 607 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ckj s LEU 608 N 0.00 2.25 -0.18 6.15 2.34 -1.26 -0.96 118.68 127.02 2ckj s LEU 608 Ca 0.00 -0.61 -0.06 0.00 0.06 0.00 0.00 54.13 53.51 2ckj s LEU 608 Cb 0.00 -0.83 -0.04 0.00 -0.56 0.00 0.00 46.19 44.77 2ckj s LEU 608 CO 0.00 0.06 0.03 -0.69 -1.06 0.00 0.00 176.35 174.70 2ckj s VAL 609 N -1.05 4.48 -0.08 1.48 1.01 0.11 -4.95 120.40 121.39 2ckj s VAL 609 Ca 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2ckj s VAL 609 Cb -0.09 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.31 2ckj s VAL 609 CO 0.03 0.46 0.20 0.42 0.00 0.00 0.00 175.10 176.21 2ckj s THR 610 N 0.47 -0.03 -0.12 3.92 -4.23 -1.26 -0.54 115.64 113.85 2ckj s THR 610 Ca 0.01 0.12 -0.41 0.00 -1.18 0.00 0.00 61.69 60.23 2ckj s THR 610 Cb -0.13 -0.31 -0.19 0.00 1.34 0.00 0.00 72.50 73.21 2ckj s THR 610 CO 0.01 0.05 1.34 -0.24 -0.54 0.00 0.00 174.62 175.25 2ckj n SER 611 N 3.89 1.01 -0.73 3.99 2.88 -1.10 -4.90 113.62 118.66 2ckj n SER 611 Ca -0.22 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.56 2ckj n SER 611 Cb 0.54 -1.01 0.07 0.00 -0.75 0.00 0.00 64.21 63.06 2ckj n SER 611 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ckj n THR 612 N 2.71 0.00 -4.43 2.46 -2.24 -1.26 -3.59 114.28 107.94 2ckj n THR 612 Ca 0.23 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 2ckj n THR 612 Cb 0.09 1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 2ckj n THR 612 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 613 N -1.65 1.71 0.08 -0.78 1.81 -1.26 -5.04 118.95 113.82 2ckj s ARG 613 Ca 0.22 -1.62 0.09 0.00 -1.72 0.00 0.00 55.73 52.69 2ckj s ARG 613 Cb 0.16 -1.86 -0.20 0.00 -0.45 0.00 0.00 34.95 32.59 2ckj s ARG 613 CO 0.26 0.36 1.12 0.00 -0.68 0.00 0.00 175.30 176.37 2ckj h ALA 614 N 2.58 0.48 -2.51 2.13 0.00 -1.83 -3.35 119.26 116.77 2ckj h ALA 614 Ca -0.43 -1.04 -0.09 0.00 0.00 0.00 0.00 54.91 53.35 2ckj h ALA 614 Cb 1.24 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.78 2ckj h ALA 614 CO 0.56 1.31 -0.33 -1.58 0.00 0.00 0.00 179.25 179.21 2ckj s HIS 615 N -2.69 -0.78 0.00 0.00 5.65 -1.26 -3.41 115.29 112.80 2ckj s HIS 615 Ca -0.00 1.52 -0.28 0.00 0.25 0.00 0.00 55.06 56.55 2ckj s HIS 615 Cb 0.09 0.33 0.10 0.00 -1.18 0.00 0.00 32.58 31.92 2ckj s HIS 615 CO 0.82 -0.46 0.86 0.00 -0.65 0.00 0.00 174.74 175.31 2ckj s ALA 616 N 2.29 -1.80 0.99 1.58 0.00 -0.87 -3.48 121.76 120.46 2ckj s ALA 616 Ca -0.04 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 2ckj s ALA 616 Cb -0.11 0.39 0.18 0.00 0.00 0.00 0.00 23.12 23.59 2ckj s ALA 616 CO -0.13 -0.67 1.13 0.21 0.00 0.00 0.00 175.76 176.30 2ckj s LYS 617 N -3.03 0.50 -0.32 0.00 2.20 -0.31 -1.33 119.74 117.46 2ckj s LYS 617 Ca 0.04 0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 2ckj s LYS 617 Cb -0.01 -1.77 0.11 0.00 -1.51 0.00 0.00 37.83 34.65 2ckj s LYS 617 CO -0.08 -2.63 0.13 -1.50 -0.36 0.00 0.00 175.35 170.91 2ckj s ILE 618 N -3.17 0.56 0.11 5.43 2.07 -1.20 -2.92 121.20 122.09 2ckj s ILE 618 Ca 0.66 -1.34 -0.07 0.00 -1.41 0.00 0.00 60.65 58.49 2ckj s ILE 618 Cb -0.15 -1.43 -0.19 0.00 0.13 0.00 0.00 42.46 40.82 2ckj s ILE 618 CO 0.55 -0.74 1.28 0.11 -1.91 0.00 0.00 174.94 174.22 2ckj h LYS 619 N 7.96 0.51 -1.05 3.50 1.79 0.36 -3.47 116.57 126.17 2ckj h LYS 619 Ca -0.12 -0.54 0.37 0.00 -2.18 0.00 0.00 60.65 58.17 2ckj h LYS 619 Cb 1.00 0.15 -0.17 0.00 -1.58 0.00 0.00 32.23 31.63 2ckj h LYS 619 CO 0.44 1.17 0.98 -1.54 -1.08 0.00 0.00 179.45 179.42 2ckj s SER 620 N -7.14 -0.01 -0.21 0.86 1.04 -1.16 -5.00 113.70 102.08 2ckj s SER 620 Ca -0.07 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 2ckj s SER 620 Cb 0.08 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2ckj s SER 620 CO 0.88 -0.03 -0.00 -0.63 0.98 0.00 0.00 173.24 174.44 2ckj s ILE 621 N -2.05 3.91 -0.28 -1.02 1.01 -1.26 -1.72 121.20 119.80 2ckj s ILE 621 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 2ckj s ILE 621 Cb 0.04 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.78 2ckj s ILE 621 CO -0.05 0.42 -0.04 -0.62 0.00 0.00 0.00 174.94 174.65 2ckj s ASP 622 N 1.09 4.61 0.00 3.58 -1.08 0.42 -4.94 116.67 120.35 2ckj s ASP 622 Ca 0.02 -1.17 0.27 0.00 -0.52 0.00 0.00 52.55 51.15 2ckj s ASP 622 Cb -0.14 -1.66 1.00 0.00 -1.46 0.00 0.00 42.92 40.65 2ckj s ASP 622 CO 0.01 -0.20 1.71 1.07 0.52 0.00 0.00 175.17 178.28 2ckj n THR 623 N 4.60 0.04 -0.03 1.71 5.66 -1.26 -2.22 114.28 122.78 2ckj n THR 623 Ca -0.14 -0.27 -0.09 0.00 -3.05 0.00 0.00 64.05 60.50 2ckj n THR 623 Cb 0.44 0.47 0.07 0.00 -1.55 0.00 0.00 70.33 69.76 2ckj n THR 623 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2ckj h SER 624 N 2.31 0.68 1.18 1.09 4.64 -1.92 -2.65 113.55 118.88 2ckj h SER 624 Ca 0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2ckj h SER 624 Cb 0.49 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2ckj h SER 624 CO 0.00 1.03 0.00 -0.08 -0.87 0.00 0.00 176.83 176.91 2ckj h GLU 625 N 0.51 0.00 0.11 4.77 4.57 -1.79 -3.33 114.58 119.42 2ckj h GLU 625 Ca 0.03 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 2ckj h GLU 625 Cb 0.97 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2ckj h GLU 625 CO 0.09 0.00 -1.68 0.00 -1.18 0.00 0.00 179.01 176.24 2ckj h ALA 626 N 2.17 0.30 0.00 2.92 0.00 -1.57 -3.33 119.26 119.75 2ckj h ALA 626 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 2ckj h ALA 626 Cb 0.59 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ckj h ALA 626 CO 0.00 1.04 0.05 1.63 0.00 0.00 0.00 179.25 181.97 2ckj n LYS 627 N -3.78 0.00 0.07 0.00 5.02 -1.22 -1.55 118.16 116.71 2ckj n LYS 627 Ca -0.29 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.14 2ckj n LYS 627 Cb 0.95 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 2ckj n LYS 627 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ckj h LYS 628 N 0.00 0.00 -6.76 1.97 1.57 -1.72 -3.47 116.57 108.16 2ckj h LYS 628 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2ckj h LYS 628 Cb 0.10 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.45 2ckj h LYS 628 CO 0.00 0.22 0.63 0.08 -0.57 0.00 0.00 179.45 179.81 2ckj s VAL 629 N -3.07 3.07 0.20 0.50 1.01 -0.60 -4.96 120.40 116.56 2ckj s VAL 629 Ca -0.01 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 62.60 2ckj s VAL 629 Cb 0.09 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.72 2ckj s VAL 629 CO 0.79 0.18 1.45 -2.65 0.00 0.00 0.00 175.10 174.87 2ckj n PRO 630 N 1.89 1.98 -0.91 2.72 -0.02 -1.26 -2.74 135.00 136.65 2ckj n PRO 630 Ca 0.03 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2ckj n PRO 630 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2ckj n PRO 630 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckj n GLY 631 N 2.56 0.67 3.72 -1.23 0.00 -1.26 -4.90 105.19 104.75 2ckj n GLY 631 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ckj n GLY 631 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 632 N -2.91 2.92 -0.22 1.61 5.36 -1.11 -2.99 117.98 120.64 2ckj s PHE 632 Ca 0.00 0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2ckj s PHE 632 Cb 0.00 -4.09 -0.13 0.00 -0.34 0.00 0.00 43.02 38.46 2ckj s PHE 632 CO 0.00 -4.09 -0.23 0.28 -1.46 0.00 0.00 175.22 169.73 2ckj n VAL 633 N 3.82 1.26 0.00 3.12 0.31 0.15 -4.99 118.33 122.00 2ckj n VAL 633 Ca 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2ckj n VAL 633 Cb 0.36 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2ckj n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s PHE 635 N -2.00 3.15 -0.08 0.00 5.36 -1.26 -1.36 117.98 121.79 2ckj s PHE 635 Ca 0.00 -0.57 -0.30 0.00 -0.96 0.00 0.00 56.93 55.10 2ckj s PHE 635 Cb 0.00 -2.31 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2ckj s PHE 635 CO 0.00 -0.44 1.02 -1.50 -1.46 0.00 0.00 175.22 172.84 2ckj s ILE 636 N 1.60 4.75 0.27 3.12 1.10 -0.33 -4.95 121.20 126.77 2ckj s ILE 636 Ca 0.05 2.01 0.06 0.00 -0.51 0.00 0.00 60.65 62.26 2ckj s ILE 636 Cb -0.17 -4.29 -0.02 0.00 0.15 0.00 0.00 42.46 38.13 2ckj s ILE 636 CO 0.05 0.04 0.23 -1.54 -2.11 0.00 0.00 174.94 171.61 2ckj n SER 637 N 4.79 -0.59 0.20 4.50 3.41 -1.26 -1.71 113.62 122.97 2ckj n SER 637 Ca 0.08 -2.81 0.17 0.00 -0.26 0.00 0.00 58.87 56.06 2ckj n SER 637 Cb 0.49 1.38 0.71 0.00 -0.26 0.00 0.00 64.21 66.54 2ckj n SER 637 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj h ALA 638 N 1.88 1.79 -0.01 7.33 0.00 -1.83 -0.43 119.26 127.99 2ckj h ALA 638 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ckj h ALA 638 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ckj h ALA 638 CO 0.28 -0.59 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 2ckj n ASP 639 N -3.23 0.08 -0.00 0.00 10.43 -1.26 -3.97 116.55 118.61 2ckj n ASP 639 Ca 0.03 -1.67 0.03 0.00 2.57 0.00 0.00 54.79 55.76 2ckj n ASP 639 Cb 0.58 -0.01 -0.05 0.00 1.84 0.00 0.00 41.12 43.49 2ckj n ASP 639 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2ckj n ASP 640 N -0.62 2.63 -4.74 -2.24 8.00 -0.17 -4.97 116.55 114.44 2ckj n ASP 640 Ca 0.08 -0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 2ckj n ASP 640 Cb 0.05 1.22 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 2ckj n ASP 640 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckj s VAL 641 N -2.24 2.60 -1.04 2.53 0.11 -1.25 -4.86 120.40 116.25 2ckj s VAL 641 Ca -0.01 0.48 0.18 0.00 -2.93 0.00 0.00 61.98 59.70 2ckj s VAL 641 Cb 0.04 -3.31 0.67 0.00 -1.53 0.00 0.00 36.38 32.26 2ckj s VAL 641 CO 0.27 0.07 1.58 -0.81 -3.33 0.00 0.00 175.10 172.88 2ckj n PRO 642 N 2.76 3.60 0.00 1.54 -0.04 -1.26 -4.76 135.00 136.84 2ckj n PRO 642 Ca 0.09 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 2ckj n PRO 642 Cb 0.40 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2ckj n PRO 642 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ckj n GLY 643 N 0.94 0.16 3.25 0.55 0.00 -1.16 -4.81 105.19 104.13 2ckj n GLY 643 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 2ckj n GLY 643 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 644 N -1.68 -0.29 0.00 1.61 0.15 -1.24 -4.77 113.70 107.49 2ckj s SER 644 Ca 0.00 0.36 0.16 0.00 0.70 0.00 0.00 55.95 57.16 2ckj s SER 644 Cb 0.00 1.31 0.79 0.00 -1.71 0.00 0.00 66.02 66.41 2ckj s SER 644 CO 0.00 -0.05 1.53 -3.20 1.20 0.00 0.00 173.24 172.71 2ckj n ASN 645 N 4.83 0.53 -4.05 5.45 5.15 -1.26 -4.33 115.26 121.58 2ckj n ASN 645 Ca -0.07 -1.62 -0.32 0.00 -0.60 0.00 0.00 54.58 51.96 2ckj n ASN 645 Cb 0.54 -0.04 -0.15 0.00 -0.53 0.00 0.00 39.78 39.60 2ckj n ASN 645 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2ckj s ILE 646 N -1.92 2.21 0.00 -1.44 2.07 -1.26 -0.65 121.20 120.22 2ckj s ILE 646 Ca 0.24 -1.89 0.00 0.00 -1.41 0.00 0.00 60.65 57.59 2ckj s ILE 646 Cb 0.12 -2.43 0.00 0.00 0.13 0.00 0.00 42.46 40.28 2ckj s ILE 646 CO 0.19 -0.23 0.00 0.41 -1.91 0.00 0.00 174.94 173.39 2ckj n THR 647 N 4.37 0.00 -3.32 4.00 -1.04 -0.45 -4.99 114.28 112.84 2ckj n THR 647 Ca -0.08 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.03 2ckj n THR 647 Cb 0.42 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.91 2ckj n THR 647 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ckj n GLY 648 N 3.48 -1.38 0.00 3.41 0.00 -1.26 -3.66 105.19 105.77 2ckj n GLY 648 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2ckj n GLY 648 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ckj n ILE 649 N -3.09 0.00 -2.23 -0.61 3.06 -1.26 -3.49 119.36 111.74 2ckj n ILE 649 Ca 0.00 -0.34 -0.27 0.00 -2.50 0.00 0.00 62.75 59.65 2ckj n ILE 649 Cb 0.32 0.84 0.01 0.00 0.54 0.00 0.00 39.64 41.35 2ckj n ILE 649 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ckj n ASN 651 N -0.58 -0.05 -0.21 0.00 3.02 -1.23 -4.79 115.26 111.42 2ckj n ASN 651 Ca 0.43 0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.95 2ckj n ASN 651 Cb 0.75 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 2ckj n ASN 651 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2ckj h ASP 652 N 0.00 0.63 -1.39 6.41 3.32 -1.86 -3.45 116.42 120.08 2ckj h ASP 652 Ca 0.00 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 2ckj h ASP 652 Cb 0.05 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2ckj h ASP 652 CO 0.00 0.45 -0.38 -1.83 -1.72 0.00 0.00 179.24 175.76 2ckj s GLU 653 N -6.14 2.45 -0.17 3.56 -1.05 -1.24 -5.00 118.70 111.11 2ckj s GLU 653 Ca -0.13 -1.64 -0.05 0.00 -0.15 0.00 0.00 54.97 53.00 2ckj s GLU 653 Cb 0.14 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.51 2ckj s GLU 653 CO 0.75 -0.25 -0.01 0.95 0.95 0.00 0.00 175.26 177.65 2ckj s THR 654 N -2.53 4.04 0.26 1.83 -4.23 -1.26 -1.35 115.64 112.41 2ckj s THR 654 Ca 0.46 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2ckj s THR 654 Cb -0.02 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 71.27 2ckj s THR 654 CO 0.27 0.48 1.78 0.58 -0.54 0.00 0.00 174.62 177.18 2ckj h VAL 655 N 5.14 0.79 -3.87 2.29 2.07 -1.24 -3.41 116.25 118.02 2ckj h VAL 655 Ca -0.33 -0.24 -0.29 0.00 0.82 0.00 0.00 66.70 66.66 2ckj h VAL 655 Cb 1.18 0.01 -0.27 0.00 -1.52 0.00 0.00 31.29 30.70 2ckj h VAL 655 CO 0.64 0.13 -0.74 -0.36 0.02 0.00 0.00 177.57 177.26 2ckj s PHE 656 N -5.97 0.37 0.47 1.57 2.99 -1.26 -4.89 117.98 111.25 2ckj s PHE 656 Ca -0.12 -0.14 -0.23 0.00 0.00 0.00 0.00 56.93 56.44 2ckj s PHE 656 Cb 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 43.02 42.93 2ckj s PHE 656 CO 0.78 -0.02 1.27 0.00 -0.00 0.00 0.00 175.22 177.25 2ckj s ALA 657 N -0.31 3.00 -0.21 5.36 0.00 -0.23 -4.76 121.76 124.60 2ckj s ALA 657 Ca -0.01 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2ckj s ALA 657 Cb -0.03 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.66 2ckj s ALA 657 CO -0.00 -0.94 -0.10 0.21 0.00 0.00 0.00 175.76 174.93 2ckj s LYS 658 N -2.64 2.05 0.00 0.00 2.20 -1.26 -4.65 119.74 115.44 2ckj s LYS 658 Ca 0.64 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2ckj s LYS 658 Cb -0.35 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2ckj s LYS 658 CO 0.43 -0.45 0.00 -0.25 -0.36 0.00 0.00 175.35 174.72 2ckj n ASP 659 N 4.65 0.00 -3.57 1.43 8.00 -1.26 -4.93 116.55 120.87 2ckj n ASP 659 Ca -0.15 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 2ckj n ASP 659 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 2ckj n ASP 659 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ckj s LYS 660 N 0.00 0.98 -0.02 -1.24 -2.85 -1.26 -3.23 119.74 112.12 2ckj s LYS 660 Ca 0.00 0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.12 2ckj s LYS 660 Cb 0.00 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2ckj s LYS 660 CO 0.00 -0.30 -0.11 0.14 0.10 0.00 0.00 175.35 175.17 2ckj s VAL 661 N -1.35 3.32 -0.03 1.79 -7.23 -0.44 -4.93 120.40 111.53 2ckj s VAL 661 Ca -0.11 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2ckj s VAL 661 Cb -0.01 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 2ckj s VAL 661 CO 0.08 0.47 0.06 0.35 -0.31 0.00 0.00 175.10 175.75 2ckj n THR 662 N 1.88 0.20 -4.04 5.32 -2.24 -1.26 -2.06 114.28 112.07 2ckj n THR 662 Ca -0.16 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2ckj n THR 662 Cb 0.52 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 2ckj n THR 662 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n VAL 664 N -0.08 1.62 0.00 0.00 0.31 -1.23 -4.33 118.33 114.61 2ckj n VAL 664 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2ckj n VAL 664 Cb 0.05 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2ckj n VAL 664 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 665 N 1.34 0.75 0.94 2.92 0.00 -1.24 -4.83 105.19 105.08 2ckj n GLY 665 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2ckj n GLY 665 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ckj n HIS 666 N 0.00 0.00 -2.81 1.61 -0.00 -1.26 -3.99 115.22 108.77 2ckj n HIS 666 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2ckj n HIS 666 Cb 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.99 29.64 2ckj n HIS 666 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ckj s ILE 667 N -0.51 4.85 -0.11 3.57 1.01 -1.26 -2.73 121.20 126.02 2ckj s ILE 667 Ca 0.00 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.56 2ckj s ILE 667 Cb 0.00 -4.22 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 2ckj s ILE 667 CO 0.00 0.05 0.40 -0.38 0.00 0.00 0.00 174.94 175.00 2ckj n ILE 668 N 4.52 1.59 -3.06 2.92 5.41 0.30 -1.07 119.36 129.97 2ckj n ILE 668 Ca 0.06 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 63.05 2ckj n ILE 668 Cb 0.49 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 2ckj n ILE 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ckj n GLY 669 N 1.75 -0.86 3.25 7.39 0.00 -1.14 -4.06 105.19 111.51 2ckj n GLY 669 Ca -0.26 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2ckj n GLY 669 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj s ALA 670 N -1.00 -0.34 0.10 4.61 0.00 -0.69 0.04 121.76 124.48 2ckj s ALA 670 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2ckj s ALA 670 Cb 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2ckj s ALA 670 CO 0.00 -0.55 -0.03 0.14 0.00 0.00 0.00 175.76 175.31 2ckj s VAL 671 N -3.86 3.80 -0.21 0.00 -7.23 -0.14 -1.18 120.40 111.58 2ckj s VAL 671 Ca 0.06 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2ckj s VAL 671 Cb 0.04 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2ckj s VAL 671 CO -0.10 0.10 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.99 2ckj s VAL 672 N -1.31 1.80 0.00 1.32 1.01 -0.46 -3.75 120.40 119.00 2ckj s VAL 672 Ca 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2ckj s VAL 672 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2ckj s VAL 672 CO 0.17 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.45 2ckj n ALA 673 N 4.63 0.00 0.03 5.51 0.00 -0.40 0.29 120.51 130.57 2ckj n ALA 673 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2ckj n ALA 673 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2ckj n ALA 673 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2ckj h ASP 674 N 0.00 0.00 -4.91 0.00 -0.00 -1.81 0.27 116.42 109.97 2ckj h ASP 674 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.74 2ckj h ASP 674 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 39.18 2ckj h ASP 674 CO 0.00 0.80 -0.63 0.42 -0.00 0.00 0.00 179.24 179.84 2ckj s THR 675 N -2.77 0.36 -0.74 1.15 -4.23 -1.26 -4.55 115.64 103.61 2ckj s THR 675 Ca -0.02 -1.99 0.26 0.00 -1.18 0.00 0.00 61.69 58.76 2ckj s THR 675 Cb 0.08 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.72 2ckj s THR 675 CO 0.81 -0.10 1.78 -0.81 -0.54 0.00 0.00 174.62 175.76 2ckj n PRO 676 N -0.34 0.22 0.08 3.99 -0.04 -1.26 -1.14 135.00 136.51 2ckj n PRO 676 Ca -0.01 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2ckj n PRO 676 Cb 0.66 -1.77 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2ckj n PRO 676 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ckj h GLU 677 N 0.00 0.00 -0.22 0.54 3.07 -1.99 -1.91 114.58 114.07 2ckj h GLU 677 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 2ckj h GLU 677 Cb 0.66 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2ckj h GLU 677 CO 0.00 0.44 -0.59 0.45 -1.40 0.00 0.00 179.01 177.91 2ckj h HIS 678 N 0.00 0.94 -1.00 4.33 3.86 -1.90 -2.70 115.15 118.68 2ckj h HIS 678 Ca -0.08 -0.35 0.12 0.00 -1.16 0.00 0.00 60.37 58.90 2ckj h HIS 678 Cb 1.51 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 29.73 2ckj h HIS 678 CO 0.00 1.15 0.63 0.00 0.86 0.00 0.00 177.93 180.57 2ckj h THR 679 N 0.55 0.92 0.40 2.45 1.03 -0.93 -1.87 112.91 115.46 2ckj h THR 679 Ca -0.00 -0.34 -0.02 0.00 -0.01 0.00 0.00 66.41 66.04 2ckj h THR 679 Cb 1.18 -0.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 2ckj h THR 679 CO 0.12 0.18 -0.19 1.56 -0.01 0.00 0.00 175.52 177.18 2ckj h GLN 680 N 0.99 -0.52 -0.52 0.00 1.08 -1.23 -2.54 115.11 112.37 2ckj h GLN 680 Ca 0.50 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.73 2ckj h GLN 680 Cb 0.50 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 2ckj h GLN 680 CO -0.26 -0.29 0.31 0.00 -0.95 0.00 0.00 178.83 177.63 2ckj h ARG 681 N -0.64 0.69 0.17 1.46 3.08 -1.15 -3.02 114.38 114.97 2ckj h ARG 681 Ca -0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2ckj h ARG 681 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2ckj h ARG 681 CO 0.09 0.49 -0.08 0.00 -1.07 0.00 0.00 179.97 179.40 2ckj h ALA 682 N 1.64 -0.98 -0.21 0.04 0.00 -1.30 -2.96 119.26 115.49 2ckj h ALA 682 Ca 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2ckj h ALA 682 Cb -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ckj h ALA 682 CO -0.04 -0.96 0.15 0.00 0.00 0.00 0.00 179.25 178.40 2ckj n ALA 683 N -2.12 0.20 -0.08 0.00 0.00 -0.96 -1.86 120.51 115.69 2ckj n ALA 683 Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ckj n ALA 683 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 2ckj n ALA 683 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ckj h GLN 684 N 0.00 0.00 0.00 0.00 5.75 -1.43 -3.27 115.11 116.16 2ckj h GLN 684 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2ckj h GLN 684 Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2ckj h GLN 684 CO -0.02 0.25 0.00 0.41 -2.65 0.00 0.00 178.83 176.83 2ckj n GLY 685 N 1.60 0.00 3.70 2.39 0.00 -0.78 -4.73 105.19 107.36 2ckj n GLY 685 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2ckj n GLY 685 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckj s VAL 686 N 0.00 4.98 -0.15 1.61 0.11 -1.15 -3.83 120.40 121.97 2ckj s VAL 686 Ca 0.00 1.55 0.02 0.00 -2.93 0.00 0.00 61.98 60.62 2ckj s VAL 686 Cb 0.00 -4.10 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 2ckj s VAL 686 CO 0.00 0.16 -0.20 -0.75 -3.33 0.00 0.00 175.10 170.98 2ckj s LYS 687 N 1.30 3.04 0.10 1.54 2.20 -0.94 -4.94 119.74 122.04 2ckj s LYS 687 Ca 0.39 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2ckj s LYS 687 Cb -0.18 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 2ckj s LYS 687 CO 0.17 -0.07 0.24 0.96 -0.36 0.00 0.00 175.35 176.29 2ckj s ILE 688 N 0.95 5.32 -0.14 5.43 -0.00 -1.26 -0.43 121.20 131.07 2ckj s ILE 688 Ca -0.03 -0.54 0.00 0.00 -0.00 0.00 0.00 60.65 60.08 2ckj s ILE 688 Cb -0.15 -3.66 0.02 0.00 -0.00 0.00 0.00 42.46 38.67 2ckj s ILE 688 CO -0.05 0.04 -0.13 0.42 -0.00 0.00 0.00 174.94 175.22 2ckj s THR 689 N -1.61 1.49 0.15 8.37 -4.23 -0.70 -4.99 115.64 114.12 2ckj s THR 689 Ca 0.35 -0.59 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 2ckj s THR 689 Cb -0.12 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2ckj s THR 689 CO 0.28 0.45 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.30 2ckj s TYR 690 N 1.46 1.88 -0.08 3.99 1.51 -1.26 0.11 117.35 124.95 2ckj s TYR 690 Ca 0.04 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2ckj s TYR 690 Cb -0.13 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 2ckj s TYR 690 CO -0.09 0.32 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.45 2ckj s GLU 691 N -2.54 2.67 -0.61 -0.62 2.12 -1.15 -4.91 118.70 113.66 2ckj s GLU 691 Ca 0.14 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.59 2ckj s GLU 691 Cb -0.07 -2.09 0.16 0.00 0.26 0.00 0.00 34.13 32.39 2ckj s GLU 691 CO 0.06 0.19 0.48 -2.00 -0.54 0.00 0.00 175.26 173.46 2ckj s GLU 692 N 0.29 2.78 1.05 4.30 2.12 -1.26 -1.16 118.70 126.82 2ckj s GLU 692 Ca -0.15 -2.17 -0.13 0.00 0.36 0.00 0.00 54.97 52.89 2ckj s GLU 692 Cb -0.16 -3.99 0.22 0.00 0.26 0.00 0.00 34.13 30.45 2ckj s GLU 692 CO 0.07 -1.21 1.08 -0.51 -0.54 0.00 0.00 175.26 174.14 2ckj s LEU 693 N 0.64 1.34 0.56 2.70 1.02 -1.23 -4.98 118.68 118.73 2ckj s LEU 693 Ca 0.12 1.25 -0.09 0.00 0.02 0.00 0.00 54.13 55.43 2ckj s LEU 693 Cb -0.21 -3.34 -0.04 0.00 0.02 0.00 0.00 46.19 42.62 2ckj s LEU 693 CO -0.03 -3.46 0.93 -2.16 0.02 0.00 0.00 176.35 171.64 2ckj s PRO 694 N -4.84 3.60 -0.19 1.29 0.04 -1.26 -4.62 135.00 129.02 2ckj s PRO 694 Ca 0.66 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2ckj s PRO 694 Cb -0.20 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.15 2ckj s PRO 694 CO 0.59 -0.40 -0.17 0.00 0.04 0.00 0.00 177.00 177.06 2ckj s ALA 695 N -2.96 2.41 -0.05 8.56 0.00 -1.26 -4.84 121.76 123.61 2ckj s ALA 695 Ca 0.52 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 2ckj s ALA 695 Cb -0.11 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2ckj s ALA 695 CO 0.49 -0.40 0.83 0.42 0.00 0.00 0.00 175.76 177.10 2ckj s ILE 696 N 1.31 4.95 0.04 0.00 1.01 -1.26 -4.94 121.20 122.31 2ckj s ILE 696 Ca 0.05 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2ckj s ILE 696 Cb -0.13 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2ckj s ILE 696 CO -0.11 0.19 0.00 -0.38 0.00 0.00 0.00 174.94 174.64 2ckj n ILE 697 N 3.93 0.39 -1.80 2.92 5.41 -1.26 -1.32 119.36 127.63 2ckj n ILE 697 Ca 0.02 0.13 -0.34 0.00 1.00 0.00 0.00 62.75 63.56 2ckj n ILE 697 Cb 0.51 -1.12 0.05 0.00 -0.71 0.00 0.00 39.64 38.37 2ckj n ILE 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ckj s THR 698 N -1.34 2.87 0.12 1.39 -1.32 -1.26 -4.72 115.64 111.38 2ckj s THR 698 Ca 0.00 0.46 -0.34 0.00 -1.21 0.00 0.00 61.69 60.60 2ckj s THR 698 Cb 0.00 -3.04 -0.12 0.00 -1.51 0.00 0.00 72.50 67.82 2ckj s THR 698 CO 0.00 -0.20 1.55 0.40 -2.21 0.00 0.00 174.62 174.16 2ckj h ILE 699 N 0.30 0.00 -3.23 5.08 1.08 -1.98 -3.25 117.51 115.50 2ckj h ILE 699 Ca -0.48 0.00 -0.47 0.00 -0.39 0.00 0.00 64.86 63.52 2ckj h ILE 699 Cb 1.27 0.00 0.22 0.00 -3.07 0.00 0.00 36.82 35.24 2ckj h ILE 699 CO 0.54 0.00 -0.26 -1.84 -0.69 0.00 0.00 178.15 175.90 2ckj n GLU 700 N -5.40 -1.72 0.00 2.37 0.00 -1.26 -3.32 120.64 111.31 2ckj n GLU 700 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 57.16 56.64 2ckj n GLU 700 Cb 0.36 -2.07 0.00 0.00 0.00 0.00 0.00 31.44 29.73 2ckj n GLU 700 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ckj n ASP 701 N -3.77 0.00 0.00 -1.84 9.92 -1.25 -4.62 116.55 114.99 2ckj n ASP 701 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2ckj n ASP 701 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2ckj n ASP 701 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ckj n ALA 702 N 10.98 0.00 -0.04 2.24 0.00 -1.22 0.21 120.51 132.68 2ckj n ALA 702 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ckj n ALA 702 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2ckj n ALA 702 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ckj h ILE 703 N 0.00 1.51 0.00 0.00 2.04 -1.81 0.14 117.51 119.39 2ckj h ILE 703 Ca 0.00 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2ckj h ILE 703 Cb 0.00 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2ckj h ILE 703 CO 0.00 0.45 0.37 0.50 0.00 0.00 0.00 178.15 179.47 2ckj h LYS 704 N -0.81 0.00 -0.01 2.37 3.64 0.20 0.75 116.57 122.72 2ckj h LYS 704 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ckj h LYS 704 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2ckj h LYS 704 CO 0.00 0.00 -0.46 0.09 -2.27 0.00 0.00 179.45 176.82 2ckj n ASN 705 N -2.75 1.12 -3.20 4.20 3.02 -1.17 -4.96 115.26 111.52 2ckj n ASN 705 Ca -0.02 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.37 2ckj n ASN 705 Cb 0.41 0.71 0.01 0.00 -0.61 0.00 0.00 39.78 40.30 2ckj n ASN 705 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ckj n ASN 706 N -0.69 -6.55 0.00 6.41 5.15 0.26 -5.00 115.26 114.84 2ckj n ASN 706 Ca 0.04 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 2ckj n ASN 706 Cb 0.26 -2.23 0.00 0.00 -0.53 0.00 0.00 39.78 37.29 2ckj n ASN 706 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ckj n SER 707 N 0.79 0.00 -4.38 1.20 7.64 0.40 -5.00 113.62 114.26 2ckj n SER 707 Ca -0.02 0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.72 2ckj n SER 707 Cb 0.48 -0.14 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 2ckj n SER 707 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2ckj s PHE 708 N -0.44 2.94 -0.50 1.43 -0.12 -1.26 -4.96 117.98 115.08 2ckj s PHE 708 Ca 0.00 -0.67 -0.22 0.00 -0.05 0.00 0.00 56.93 55.98 2ckj s PHE 708 Cb 0.00 -2.01 0.03 0.00 -0.63 0.00 0.00 43.02 40.42 2ckj s PHE 708 CO 0.00 -0.32 0.55 0.66 -0.05 0.00 0.00 175.22 176.06 2ckj n TYR 709 N 4.15 -2.10 -1.24 3.49 4.02 -1.24 -4.58 117.16 119.66 2ckj n TYR 709 Ca -0.18 0.88 0.14 0.00 -0.01 0.00 0.00 57.90 58.73 2ckj n TYR 709 Cb 0.52 -1.79 -0.05 0.00 -0.02 0.00 0.00 39.34 37.99 2ckj n TYR 709 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ckj n GLY 710 N -0.62 -2.06 3.71 2.72 0.00 -1.26 -4.42 105.19 103.25 2ckj n GLY 710 Ca -0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2ckj n GLY 710 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ckj s PRO 711 N -3.31 4.52 -0.01 1.61 0.04 -1.26 -4.75 135.00 131.85 2ckj s PRO 711 Ca 0.00 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 2ckj s PRO 711 Cb 0.00 -3.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 2ckj s PRO 711 CO 0.00 -0.03 0.02 -1.91 0.04 0.00 0.00 177.00 175.12 2ckj n GLU 712 N 3.92 0.00 -3.02 4.56 2.13 -1.26 -4.91 120.64 122.06 2ckj n GLU 712 Ca 0.04 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.48 2ckj n GLU 712 Cb 0.51 -0.02 -0.06 0.00 0.27 0.00 0.00 31.44 32.14 2ckj n GLU 712 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2ckj s LEU 713 N 0.05 4.46 -0.02 4.31 1.02 -0.92 -4.89 118.68 122.70 2ckj s LEU 713 Ca 0.01 1.56 -0.22 0.00 0.02 0.00 0.00 54.13 55.51 2ckj s LEU 713 Cb -0.02 -3.49 0.04 0.00 0.02 0.00 0.00 46.19 42.75 2ckj s LEU 713 CO 0.01 0.10 0.47 -1.59 0.02 0.00 0.00 176.35 175.36 2ckj s LYS 714 N -1.60 0.86 -0.04 1.70 -2.85 -1.26 -0.64 119.74 115.90 2ckj s LYS 714 Ca 0.40 -0.04 0.06 0.00 -1.00 0.00 0.00 55.97 55.40 2ckj s LYS 714 Cb -0.20 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 2ckj s LYS 714 CO 0.23 -0.26 -0.24 0.42 0.10 0.00 0.00 175.35 175.60 2ckj s ILE 715 N -1.44 1.93 0.01 3.79 1.01 0.01 -4.99 121.20 121.52 2ckj s ILE 715 Ca -0.11 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.53 2ckj s ILE 715 Cb -0.03 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2ckj s ILE 715 CO 0.05 0.54 -0.04 -1.61 0.00 0.00 0.00 174.94 173.89 2ckj s GLU 716 N -0.30 0.29 -0.23 2.79 2.02 -1.26 -2.39 118.70 119.61 2ckj s GLU 716 Ca 0.02 -0.32 -0.19 0.00 0.02 0.00 0.00 54.97 54.50 2ckj s GLU 716 Cb -0.12 -0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.02 2ckj s GLU 716 CO 0.02 0.03 0.60 0.21 0.02 0.00 0.00 175.26 176.14 2ckj s LYS 717 N -0.62 0.67 6.08 1.61 2.20 -1.17 -5.03 119.74 123.48 2ckj s LYS 717 Ca -0.04 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 2ckj s LYS 717 Cb -0.04 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2ckj s LYS 717 CO -0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2ckj n GLY 718 N 3.21 1.88 0.00 5.54 0.00 -1.26 -1.45 105.19 113.11 2ckj n GLY 718 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2ckj n GLY 718 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ckj n ASP 719 N 6.85 0.00 0.00 1.61 2.03 -1.26 -5.00 116.55 120.78 2ckj n ASP 719 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ckj n ASP 719 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ckj n ASP 719 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ckj n LEU 720 N 0.00 0.00 -0.32 -2.67 -0.00 -1.26 -4.45 117.00 108.31 2ckj n LEU 720 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 2ckj n LEU 720 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 43.69 2ckj n LEU 720 CO 0.00 0.00 0.83 0.50 -0.00 0.00 0.00 177.39 178.72 2ckj h LYS 721 N 0.00 0.06 0.07 1.96 1.63 -1.98 -2.89 116.57 115.43 2ckj h LYS 721 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ckj h LYS 721 Cb 0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2ckj h LYS 721 CO 0.00 0.04 -0.15 -0.22 -3.45 0.00 0.00 179.45 175.67 2ckj h LYS 722 N 0.06 -0.24 -6.72 1.90 3.64 -2.00 -3.23 116.57 109.99 2ckj h LYS 722 Ca 0.55 0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 59.49 2ckj h LYS 722 Cb 1.12 0.05 0.23 0.00 -0.41 0.00 0.00 32.23 33.22 2ckj h LYS 722 CO -0.82 -0.16 -0.97 0.41 -2.27 0.00 0.00 179.45 175.64 2ckj n GLY 723 N -1.15 -2.43 5.00 5.01 0.00 -1.09 -1.27 105.19 109.25 2ckj n GLY 723 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2ckj n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 724 N -4.42 0.00 0.04 1.61 3.01 -1.26 -4.19 117.46 112.25 2ckj n PHE 724 Ca 0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.50 2ckj n PHE 724 Cb 0.61 0.00 0.41 0.00 -0.01 0.00 0.00 39.48 40.49 2ckj n PHE 724 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2ckj h SER 725 N 0.00 0.40 -0.27 4.37 4.64 -1.56 -3.27 113.55 117.86 2ckj h SER 725 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2ckj h SER 725 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2ckj h SER 725 CO 0.00 0.37 0.00 -0.62 -0.87 0.00 0.00 176.83 175.71 2ckj n GLU 726 N -4.41 1.76 -4.35 4.77 1.02 -0.40 -4.97 120.64 114.06 2ckj n GLU 726 Ca 0.02 -1.16 -0.24 0.00 -0.02 0.00 0.00 57.16 55.75 2ckj n GLU 726 Cb 0.13 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.11 2ckj n GLU 726 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ckj s ALA 727 N -1.65 1.80 -0.06 0.62 0.00 -1.24 -5.00 121.76 116.23 2ckj s ALA 727 Ca 0.27 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.78 2ckj s ALA 727 Cb 0.14 -0.26 -0.19 0.00 0.00 0.00 0.00 23.12 22.81 2ckj s ALA 727 CO 0.20 0.37 0.96 -0.44 0.00 0.00 0.00 175.76 176.84 2ckj h ASP 728 N 4.22 -0.07 -4.07 0.00 3.45 -1.89 -3.47 116.42 114.58 2ckj h ASP 728 Ca -0.46 -0.54 -0.47 0.00 0.43 0.00 0.00 57.03 55.99 2ckj h ASP 728 Cb 1.18 0.02 -0.20 0.00 -0.56 0.00 0.00 39.33 39.77 2ckj h ASP 728 CO 0.40 0.56 -0.79 0.20 -1.57 0.00 0.00 179.24 178.05 2ckj s ASN 729 N -5.73 2.21 -0.22 6.45 0.01 -0.55 -5.00 114.94 112.11 2ckj s ASN 729 Ca -0.15 -0.75 -0.00 0.00 -0.71 0.00 0.00 52.86 51.25 2ckj s ASN 729 Cb -0.00 -0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.62 2ckj s ASN 729 CO 0.58 -0.06 -0.02 0.54 -1.51 0.00 0.00 177.10 176.63 2ckj s VAL 730 N -1.70 1.21 0.34 1.60 0.11 -1.26 -1.61 120.40 119.08 2ckj s VAL 730 Ca 0.07 -1.02 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2ckj s VAL 730 Cb -0.07 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2ckj s VAL 730 CO 0.04 -0.15 0.28 0.68 -3.33 0.00 0.00 175.10 172.62 2ckj s VAL 731 N 1.54 3.49 -0.30 2.04 -7.23 -1.15 -4.98 120.40 113.80 2ckj s VAL 731 Ca -0.04 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 2ckj s VAL 731 Cb -0.18 -3.17 0.18 0.00 0.56 0.00 0.00 36.38 33.77 2ckj s VAL 731 CO -0.07 -0.17 0.97 -0.55 -0.31 0.00 0.00 175.10 174.97 2ckj s SER 732 N -3.98 -0.61 0.33 4.85 0.15 -1.26 0.15 113.70 113.32 2ckj s SER 732 Ca 0.41 0.46 -0.18 0.00 0.70 0.00 0.00 55.95 57.33 2ckj s SER 732 Cb -0.05 1.54 0.05 0.00 -1.71 0.00 0.00 66.02 65.85 2ckj s SER 732 CO 0.26 -0.12 0.83 -0.83 1.20 0.00 0.00 173.24 174.58 2ckj s GLY 733 N 2.84 0.22 -0.01 9.45 0.00 -0.80 -5.02 107.32 114.00 2ckj s GLY 733 Ca 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 2ckj s GLY 733 CO -0.14 0.17 0.13 1.85 0.00 0.00 0.00 173.10 175.11 2ckj s GLU 734 N -2.60 0.38 -0.00 2.90 2.12 -1.26 -0.68 118.70 119.54 2ckj s GLU 734 Ca 0.16 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 2ckj s GLU 734 Cb -0.05 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.52 2ckj s GLU 734 CO 0.09 -0.08 0.27 0.96 -0.54 0.00 0.00 175.26 175.96 2ckj s ILE 735 N -0.94 0.07 -0.23 -3.70 -4.36 -0.73 -4.99 121.20 106.31 2ckj s ILE 735 Ca -0.10 -0.55 -0.07 0.00 -0.26 0.00 0.00 60.65 59.67 2ckj s ILE 735 Cb -0.06 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 43.02 2ckj s ILE 735 CO 0.01 -0.30 0.05 -0.47 0.24 0.00 0.00 174.94 174.47 2ckj s TYR 736 N -1.46 3.07 -0.27 1.37 5.04 -1.26 -2.63 117.35 121.21 2ckj s TYR 736 Ca -0.13 -0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 53.95 2ckj s TYR 736 Cb -0.05 -2.19 -0.05 0.00 0.35 0.00 0.00 41.96 40.02 2ckj s TYR 736 CO 0.03 -0.33 0.17 0.42 -1.34 0.00 0.00 175.55 174.50 2ckj s ILE 737 N 1.43 5.16 0.81 3.14 1.01 -0.27 -2.30 121.20 130.18 2ckj s ILE 737 Ca 0.05 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 2ckj s ILE 737 Cb -0.15 -3.45 0.04 0.00 0.01 0.00 0.00 42.46 38.92 2ckj s ILE 737 CO 0.03 0.27 0.91 0.61 0.00 0.00 0.00 174.94 176.76 2ckj n GLY 738 N 4.96 -0.71 3.91 6.18 0.00 0.16 -1.76 105.19 117.93 2ckj n GLY 738 Ca -0.14 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2ckj n GLY 738 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ckj s GLY 739 N -1.92 1.80 0.03 -0.02 0.00 -1.26 -4.70 107.32 101.25 2ckj s GLY 739 Ca 0.69 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 2ckj s GLY 739 CO 0.55 -0.46 0.62 1.62 0.00 0.00 0.00 173.10 175.44 2ckj s GLN 740 N -5.92 1.12 0.01 2.90 0.74 -1.24 -4.75 119.66 112.53 2ckj s GLN 740 Ca 0.76 -0.06 -0.17 0.00 0.05 0.00 0.00 55.36 55.94 2ckj s GLN 740 Cb -0.03 0.52 -0.06 0.00 1.10 0.00 0.00 33.01 34.55 2ckj s GLN 740 CO 0.54 -0.41 0.48 -2.00 -0.55 0.00 0.00 175.29 173.35 2ckj s GLU 741 N -2.23 4.09 0.12 1.67 2.56 -1.26 -0.59 118.70 123.06 2ckj s GLU 741 Ca -0.06 0.55 -0.16 0.00 0.00 0.00 0.00 54.97 55.30 2ckj s GLU 741 Cb -0.00 -3.26 -0.03 0.00 2.00 0.00 0.00 34.13 32.83 2ckj s GLU 741 CO 0.01 0.59 1.58 0.45 -0.56 0.00 0.00 175.26 177.32 2ckj h HIS 742 N 4.94 0.67 -6.63 5.30 3.86 -1.96 -3.48 115.15 117.84 2ckj h HIS 742 Ca -0.49 -0.10 -0.46 0.00 -1.16 0.00 0.00 60.37 58.15 2ckj h HIS 742 Cb 1.21 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 2ckj h HIS 742 CO 0.69 0.70 -1.03 0.34 0.86 0.00 0.00 177.93 179.48 2ckj n PHE 743 N -4.53 -1.85 -2.39 2.45 7.35 -1.26 -4.99 117.46 112.24 2ckj n PHE 743 Ca -0.01 0.76 -0.26 0.00 -0.76 0.00 0.00 57.45 57.18 2ckj n PHE 743 Cb 0.25 -2.52 0.04 0.00 0.35 0.00 0.00 39.48 37.60 2ckj n PHE 743 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ckj s TYR 744 N -2.91 3.20 -0.04 -5.13 -0.85 -1.26 -4.88 117.35 105.47 2ckj s TYR 744 Ca 0.00 0.59 -0.22 0.00 -0.52 0.00 0.00 57.07 56.92 2ckj s TYR 744 Cb -0.00 -2.79 -0.31 0.00 0.38 0.00 0.00 41.96 39.25 2ckj s TYR 744 CO 0.83 -0.89 0.91 -0.07 -1.52 0.00 0.00 175.55 174.81 2ckj h LEU 745 N -0.21 0.47 -9.43 -3.49 -0.00 -1.82 -3.41 115.31 97.42 2ckj h LEU 745 Ca -0.45 -0.94 -0.54 0.00 -0.00 0.00 0.00 57.88 55.95 2ckj h LEU 745 Cb 1.26 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2ckj h LEU 745 CO 0.60 1.38 0.61 -0.70 -0.00 0.00 0.00 178.44 180.33 2ckj s GLU 746 N -2.49 4.41 0.05 1.13 2.12 -1.24 -4.74 118.70 117.94 2ckj s GLU 746 Ca -0.14 1.75 0.00 0.00 0.36 0.00 0.00 54.97 56.94 2ckj s GLU 746 Cb 0.01 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2ckj s GLU 746 CO 0.83 -0.32 0.06 0.25 -0.54 0.00 0.00 175.26 175.54 2ckj n THR 747 N 4.15 0.00 -2.66 -1.70 -2.24 -1.26 -4.64 114.28 105.94 2ckj n THR 747 Ca 0.10 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 2ckj n THR 747 Cb 0.46 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 2ckj n THR 747 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ckj s HIS 748 N 0.30 3.48 -0.15 4.78 0.09 -1.26 -4.91 115.29 117.62 2ckj s HIS 748 Ca 0.04 1.18 0.00 0.00 -0.00 0.00 0.00 55.06 56.28 2ckj s HIS 748 Cb -0.00 -2.56 0.00 0.00 -0.00 0.00 0.00 32.58 30.02 2ckj s HIS 748 CO 0.03 -0.22 0.00 0.00 -0.00 0.00 0.00 174.74 174.55 2ckj s THR 750 N -2.44 -0.89 -0.24 0.00 2.01 -0.18 -2.38 115.64 111.53 2ckj s THR 750 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2ckj s THR 750 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2ckj s THR 750 CO 0.00 0.00 0.49 -0.63 -0.69 0.00 0.00 174.62 173.79 2ckj s ILE 751 N 2.87 5.11 -0.17 1.82 1.01 -0.87 -2.30 121.20 128.66 2ckj s ILE 751 Ca 0.15 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2ckj s ILE 751 Cb -0.14 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2ckj s ILE 751 CO -0.19 0.14 -0.16 0.00 0.00 0.00 0.00 174.94 174.73 2ckj s ALA 752 N 1.96 2.46 -0.29 9.38 0.00 -0.42 -0.23 121.76 134.62 2ckj s ALA 752 Ca 0.21 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2ckj s ALA 752 Cb -0.15 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 21.77 2ckj s ALA 752 CO 0.09 -0.22 -0.04 0.54 0.00 0.00 0.00 175.76 176.13 2ckj s VAL 753 N 1.11 2.41 -0.27 0.00 0.11 -0.77 -1.84 120.40 121.15 2ckj s VAL 753 Ca 0.00 -1.74 -0.19 0.00 -2.93 0.00 0.00 61.98 57.12 2ckj s VAL 753 Cb -0.14 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.20 2ckj s VAL 753 CO -0.06 -0.18 0.58 -2.16 -3.33 0.00 0.00 175.10 169.95 2ckj s PRO 754 N 1.10 4.04 0.41 1.54 0.04 -1.26 -1.99 135.00 138.88 2ckj s PRO 754 Ca -0.04 0.39 0.08 0.00 0.04 0.00 0.00 61.00 61.48 2ckj s PRO 754 Cb -0.20 -3.67 0.88 0.00 0.04 0.00 0.00 34.50 31.55 2ckj s PRO 754 CO -0.05 -0.43 2.03 0.87 0.04 0.00 0.00 177.00 179.47 2ckj h LYS 755 N 8.02 0.53 0.00 4.56 1.57 -1.94 -3.44 116.57 125.87 2ckj h LYS 755 Ca -0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2ckj h LYS 755 Cb 1.13 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2ckj h LYS 755 CO 0.76 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 180.40 2ckj n GLY 756 N -1.48 1.27 3.26 3.86 0.00 -1.25 -5.02 105.19 105.82 2ckj n GLY 756 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2ckj n GLY 756 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ckj s GLU 757 N -0.39 3.22 -1.64 1.61 -1.05 -1.26 -4.78 118.70 114.41 2ckj s GLU 757 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 2ckj s GLU 757 Cb 0.00 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 2ckj s GLU 757 CO 0.00 -0.04 0.00 0.00 0.95 0.00 0.00 175.26 176.17 2ckj n ALA 758 N 4.23 -0.25 -0.06 -0.84 0.00 -1.26 -3.10 120.51 119.23 2ckj n ALA 758 Ca -0.19 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ckj n ALA 758 Cb 0.51 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2ckj n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 759 N -1.05 0.49 3.56 0.00 0.00 -1.26 -4.97 105.19 101.95 2ckj n GLY 759 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 2ckj n GLY 759 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 760 N -2.00 1.09 -3.77 1.61 1.02 -1.18 -4.91 120.64 112.50 2ckj n GLU 760 Ca 0.00 0.39 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 2ckj n GLU 760 Cb 0.00 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 29.56 2ckj n GLU 760 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2ckj s MET 761 N -0.95 0.64 -0.04 3.49 1.75 -1.07 -3.45 119.30 119.67 2ckj s MET 761 Ca 0.66 -0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.94 2ckj s MET 761 Cb -0.80 0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.15 2ckj s MET 761 CO 0.56 -0.17 -0.14 -2.00 -0.65 0.00 0.00 175.02 172.62 2ckj s GLU 762 N -1.28 1.47 -0.02 4.11 2.12 -0.84 -2.53 118.70 121.74 2ckj s GLU 762 Ca -0.13 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.73 2ckj s GLU 762 Cb -0.05 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 33.04 2ckj s GLU 762 CO 0.04 0.18 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.38 2ckj s LEU 763 N 0.14 1.79 -0.32 2.70 1.02 -0.05 -1.85 118.68 122.12 2ckj s LEU 763 Ca -0.04 -0.10 -0.03 0.00 0.02 0.00 0.00 54.13 53.98 2ckj s LEU 763 Cb -0.11 -0.33 0.05 0.00 0.02 0.00 0.00 46.19 45.83 2ckj s LEU 763 CO 0.02 0.03 0.04 -0.36 0.02 0.00 0.00 176.35 176.10 2ckj s PHE 764 N 0.19 3.30 -0.02 0.29 0.40 0.68 -0.82 117.98 122.00 2ckj s PHE 764 Ca -0.02 -1.85 -0.01 0.00 -0.60 0.00 0.00 56.93 54.45 2ckj s PHE 764 Cb -0.06 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.23 2ckj s PHE 764 CO -0.00 -0.81 0.03 0.08 0.70 0.00 0.00 175.22 175.22 2ckj s VAL 765 N 1.27 -0.03 -1.31 -0.44 1.01 -0.59 -2.05 120.40 118.26 2ckj s VAL 765 Ca -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2ckj s VAL 765 Cb -0.20 -0.07 0.13 0.00 0.00 0.00 0.00 36.38 36.24 2ckj s VAL 765 CO -0.01 0.05 1.86 -0.24 0.00 0.00 0.00 175.10 176.76 2ckj n SER 766 N 3.66 4.83 -4.40 3.32 2.88 -1.00 -4.59 113.62 118.33 2ckj n SER 766 Ca -0.20 -3.01 -0.21 0.00 -1.33 0.00 0.00 58.87 54.12 2ckj n SER 766 Cb 0.55 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.35 2ckj n SER 766 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ckj s THR 767 N 1.59 2.02 -0.13 2.46 -1.32 -1.26 -4.76 115.64 114.24 2ckj s THR 767 Ca 0.43 -2.29 0.18 0.00 -1.21 0.00 0.00 61.69 58.80 2ckj s THR 767 Cb 0.08 -2.15 -0.14 0.00 -1.51 0.00 0.00 72.50 68.77 2ckj s THR 767 CO -0.01 -0.51 0.78 0.00 -2.21 0.00 0.00 174.62 172.67 2ckj n GLN 768 N -0.48 0.63 -3.83 7.08 6.02 -0.05 -4.85 117.38 121.90 2ckj n GLN 768 Ca -0.07 0.17 -0.35 0.00 -0.01 0.00 0.00 57.00 56.74 2ckj n GLN 768 Cb 0.60 -1.78 -0.12 0.00 1.02 0.00 0.00 30.24 29.96 2ckj n GLN 768 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ckj s ASN 769 N -5.64 5.13 -0.08 1.08 3.84 -1.23 -0.08 114.94 117.96 2ckj s ASN 769 Ca -0.03 -1.95 -0.26 0.00 0.21 0.00 0.00 52.86 50.82 2ckj s ASN 769 Cb 0.09 -1.78 -0.25 0.00 -0.55 0.00 0.00 41.25 38.76 2ckj s ASN 769 CO 0.82 -0.48 0.96 0.00 -2.79 0.00 0.00 177.10 175.60 2ckj h THR 770 N 6.41 1.61 -0.57 -5.21 1.03 -1.86 -2.40 112.91 111.93 2ckj h THR 770 Ca -0.13 -2.04 0.09 0.00 -0.01 0.00 0.00 66.41 64.32 2ckj h THR 770 Cb 1.04 2.95 -0.10 0.00 -1.07 0.00 0.00 68.15 70.97 2ckj h THR 770 CO 0.65 0.55 -0.44 -0.03 -0.01 0.00 0.00 175.52 176.23 2ckj h MET 771 N -0.67 -0.23 -0.19 0.00 1.85 -1.93 -1.73 114.93 112.05 2ckj h MET 771 Ca -0.02 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 2ckj h MET 771 Cb 0.99 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.07 2ckj h MET 771 CO 0.03 -0.15 -0.17 0.87 -0.40 0.00 0.00 176.91 177.09 2ckj h LYS 772 N -0.24 0.45 -0.90 0.39 1.79 -1.91 -2.08 116.57 114.08 2ckj h LYS 772 Ca 0.17 -0.23 0.22 0.00 -2.18 0.00 0.00 60.65 58.63 2ckj h LYS 772 Cb 0.56 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 2ckj h LYS 772 CO -0.68 0.80 0.61 1.15 -1.08 0.00 0.00 179.45 180.24 2ckj h THR 773 N 0.11 0.64 0.25 -0.16 2.02 -0.78 -1.80 112.91 113.18 2ckj h THR 773 Ca 0.03 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2ckj h THR 773 Cb 0.71 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2ckj h THR 773 CO 0.04 0.05 -0.12 -0.61 0.37 0.00 0.00 175.52 175.25 2ckj h GLN 774 N 0.28 -0.32 0.03 6.66 4.15 -1.06 -2.91 115.11 121.93 2ckj h GLN 774 Ca 0.46 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.90 2ckj h GLN 774 Cb 1.33 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2ckj h GLN 774 CO -0.13 -0.02 -0.01 0.77 -1.93 0.00 0.00 178.83 177.50 2ckj h SER 775 N -0.64 -0.03 0.71 -0.69 0.02 -0.66 -0.79 113.55 111.47 2ckj h SER 775 Ca -0.03 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2ckj h SER 775 Cb 0.45 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2ckj h SER 775 CO 0.06 0.42 0.00 -0.26 -1.14 0.00 0.00 176.83 175.91 2ckj h PHE 776 N -0.49 0.00 0.02 3.45 -1.00 -1.51 0.66 116.94 118.07 2ckj h PHE 776 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ckj h PHE 776 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2ckj h PHE 776 CO 0.08 0.00 -0.01 0.28 -1.61 0.00 0.00 178.31 177.05 2ckj h VAL 777 N 0.00 1.45 -0.90 -0.55 2.07 -1.28 -3.08 116.25 113.96 2ckj h VAL 777 Ca 0.00 -1.60 0.16 0.00 0.82 0.00 0.00 66.70 66.08 2ckj h VAL 777 Cb 0.36 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 2ckj h VAL 777 CO 0.00 0.40 0.58 0.00 0.02 0.00 0.00 177.57 178.57 2ckj h ALA 778 N 0.18 1.93 0.13 1.67 0.00 0.65 -1.97 119.26 121.85 2ckj h ALA 778 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ckj h ALA 778 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ckj h ALA 778 CO 0.00 -0.19 -0.06 -0.22 0.00 0.00 0.00 179.25 178.78 2ckj h LYS 779 N 0.61 -0.17 -0.00 0.00 3.64 0.10 -1.00 116.57 119.75 2ckj h LYS 779 Ca 0.46 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2ckj h LYS 779 Cb 0.86 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2ckj h LYS 779 CO -0.21 0.06 0.03 1.98 -2.27 0.00 0.00 179.45 179.03 2ckj h MET 780 N -0.38 0.00 0.00 1.90 4.05 -1.40 -2.79 114.93 116.31 2ckj h MET 780 Ca -0.02 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 2ckj h MET 780 Cb 0.31 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 2ckj h MET 780 CO 0.03 0.00 -2.09 1.28 0.23 0.00 0.00 176.91 176.36 2ckj n LEU 781 N -3.13 0.00 -0.84 3.39 4.77 -0.77 -3.01 117.00 117.41 2ckj n LEU 781 Ca -0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2ckj n LEU 781 Cb 0.10 0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2ckj n LEU 781 CO 0.20 0.18 0.02 0.61 -1.33 0.00 0.00 177.39 177.08 2ckj n GLY 782 N 1.51 0.78 3.12 -0.72 0.00 -0.43 -4.39 105.19 105.06 2ckj n GLY 782 Ca -0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2ckj n GLY 782 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ckj s VAL 783 N -3.03 0.61 0.22 1.61 -7.23 -0.87 -5.04 120.40 106.67 2ckj s VAL 783 Ca 0.06 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2ckj s VAL 783 Cb -0.02 -1.26 -0.15 0.00 0.56 0.00 0.00 36.38 35.50 2ckj s VAL 783 CO 0.07 -0.69 0.97 -0.81 -0.31 0.00 0.00 175.10 174.34 2ckj n PRO 784 N 0.55 0.96 0.13 4.82 -0.04 -1.26 -4.53 135.00 135.62 2ckj n PRO 784 Ca -0.16 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2ckj n PRO 784 Cb 0.58 -1.69 0.39 0.00 -0.04 0.00 0.00 33.50 32.74 2ckj n PRO 784 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj n ALA 785 N 0.71 0.89 -0.23 0.55 0.00 -1.26 -2.09 120.51 119.07 2ckj n ALA 785 Ca 0.14 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.82 2ckj n ALA 785 Cb 0.27 -1.07 0.28 0.00 0.00 0.00 0.00 19.45 18.94 2ckj n ALA 785 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ckj n ASN 786 N -2.01 3.75 -0.00 0.00 6.94 -1.26 -1.59 115.26 121.09 2ckj n ASN 786 Ca -0.01 -1.99 0.07 0.00 -0.02 0.00 0.00 54.58 52.63 2ckj n ASN 786 Cb 0.12 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.03 2ckj n ASN 786 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2ckj n ARG 787 N 1.50 1.82 -3.60 -3.83 5.12 -0.89 -4.95 116.66 111.83 2ckj n ARG 787 Ca 0.22 -0.01 -0.36 0.00 -1.93 0.00 0.00 57.85 55.77 2ckj n ARG 787 Cb 0.60 -1.24 -0.07 0.00 -1.16 0.00 0.00 32.46 30.59 2ckj n ARG 787 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ckj s ILE 788 N -2.49 5.31 -0.06 0.55 1.09 -0.62 -2.59 121.20 122.38 2ckj s ILE 788 Ca 0.05 0.50 0.02 0.00 -1.10 0.00 0.00 60.65 60.13 2ckj s ILE 788 Cb 0.12 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.94 2ckj s ILE 788 CO 0.64 0.45 -0.12 -0.69 -0.10 0.00 0.00 174.94 175.12 2ckj s VAL 789 N 0.06 1.10 -0.14 2.92 1.01 -1.05 -5.00 120.40 119.31 2ckj s VAL 789 Ca 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2ckj s VAL 789 Cb -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2ckj s VAL 789 CO 0.04 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 2ckj s VAL 790 N 0.69 2.32 0.04 2.92 1.01 -1.26 -0.87 120.40 125.24 2ckj s VAL 790 Ca -0.14 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2ckj s VAL 790 Cb -0.16 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2ckj s VAL 790 CO 0.03 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.51 2ckj s ARG 791 N 0.70 1.13 -0.21 2.72 1.70 -0.00 -3.40 118.95 121.58 2ckj s ARG 791 Ca -0.09 -0.80 0.01 0.00 -0.47 0.00 0.00 55.73 54.38 2ckj s ARG 791 Cb -0.16 -1.17 0.05 0.00 -0.57 0.00 0.00 34.95 33.10 2ckj s ARG 791 CO 0.01 0.30 -0.08 0.08 -1.08 0.00 0.00 175.30 174.53 2ckj s VAL 792 N -0.78 1.60 -0.23 4.99 1.01 -1.14 -1.54 120.40 124.32 2ckj s VAL 792 Ca 0.04 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 2ckj s VAL 792 Cb -0.08 -1.75 -0.17 0.00 0.00 0.00 0.00 36.38 34.37 2ckj s VAL 792 CO 0.01 0.06 -0.02 1.17 0.00 0.00 0.00 175.10 176.32 2ckj n LYS 793 N 4.68 0.61 -3.96 2.72 4.81 -1.26 -1.00 118.16 124.76 2ckj n LYS 793 Ca -0.14 0.37 -0.11 0.00 -0.87 0.00 0.00 58.31 57.57 2ckj n LYS 793 Cb 0.45 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 2ckj n LYS 793 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ckj s ARG 794 N -2.46 1.94 0.08 1.64 1.70 -1.26 -4.57 118.95 116.01 2ckj s ARG 794 Ca -0.32 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.47 2ckj s ARG 794 Cb 0.10 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.97 2ckj s ARG 794 CO 0.58 -0.85 -0.09 -1.64 -1.08 0.00 0.00 175.30 172.22 2ckj s MET 795 N -3.05 0.73 -0.17 3.89 -1.94 -0.82 -4.85 119.30 113.09 2ckj s MET 795 Ca 0.22 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.18 2ckj s MET 795 Cb -0.02 -0.39 0.26 0.00 2.01 0.00 0.00 34.83 36.68 2ckj s MET 795 CO 0.14 0.06 1.35 0.41 -0.01 0.00 0.00 175.02 176.96 2ckj n GLY 796 N 0.79 2.94 0.00 -0.03 0.00 -1.26 -4.25 105.19 103.38 2ckj n GLY 796 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2ckj n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 797 N -0.13 2.60 0.39 -0.02 0.00 -1.25 -2.50 105.19 104.29 2ckj n GLY 797 Ca 0.23 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2ckj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 798 N 0.98 0.00 4.51 -0.02 0.00 -1.26 -4.86 105.19 104.54 2ckj n GLY 798 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ckj n GLY 798 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 799 N -1.74 -1.21 0.00 1.61 3.01 -1.26 -0.24 117.46 117.63 2ckj n PHE 799 Ca 0.00 0.69 0.00 0.00 1.01 0.00 0.00 57.45 59.15 2ckj n PHE 799 Cb 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 39.48 37.50 2ckj n PHE 799 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ckj n GLY 800 N -1.17 1.52 0.32 1.37 0.00 -1.26 -2.86 105.19 103.11 2ckj n GLY 800 Ca 0.09 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.14 2ckj n GLY 800 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 801 N 0.00 0.00 -0.33 -0.02 0.00 -0.05 0.12 103.07 102.79 2ckj h GLY 801 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ckj h GLY 801 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2ckj n LYS 802 N -2.85 1.86 0.25 4.80 5.02 -1.20 -4.39 118.16 121.65 2ckj n LYS 802 Ca -0.02 -2.46 0.10 0.00 -2.02 0.00 0.00 58.31 53.90 2ckj n LYS 802 Cb 0.27 -1.49 0.64 0.00 -0.02 0.00 0.00 35.03 34.44 2ckj n LYS 802 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2ckj h GLU 803 N 0.39 0.00 0.00 1.97 4.81 -1.07 -0.08 114.58 120.60 2ckj h GLU 803 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ckj h GLU 803 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2ckj h GLU 803 CO 0.04 0.15 0.00 0.25 -0.73 0.00 0.00 179.01 178.72 2ckj n THR 804 N -3.87 0.00 0.09 0.32 -2.24 -1.26 -4.34 114.28 102.98 2ckj n THR 804 Ca -0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2ckj n THR 804 Cb 0.25 -0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.23 2ckj n THR 804 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ckj h ARG 805 N 0.00 0.23 -0.23 -0.78 2.47 -1.83 -2.33 114.38 111.91 2ckj h ARG 805 Ca 0.00 -0.39 0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2ckj h ARG 805 Cb 0.00 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2ckj h ARG 805 CO 0.00 1.17 0.06 -1.13 0.56 0.00 0.00 179.97 180.63 2ckj n SER 806 N -3.49 0.02 -0.05 7.04 3.41 -1.26 0.16 113.62 119.44 2ckj n SER 806 Ca -0.08 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 2ckj n SER 806 Cb 1.01 -0.16 0.43 0.00 -0.26 0.00 0.00 64.21 65.23 2ckj n SER 806 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ckj h THR 807 N 0.00 1.04 -1.00 6.66 1.35 -1.79 -2.59 112.91 116.58 2ckj h THR 807 Ca 0.16 -0.19 0.14 0.00 -0.55 0.00 0.00 66.41 65.97 2ckj h THR 807 Cb 0.39 0.44 -0.09 0.00 -1.73 0.00 0.00 68.15 67.16 2ckj h THR 807 CO -0.20 0.10 0.62 -0.37 -0.25 0.00 0.00 175.52 175.43 2ckj h VAL 808 N 0.55 0.86 0.28 6.82 -1.51 0.14 -0.26 116.25 123.14 2ckj h VAL 808 Ca 0.21 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 2ckj h VAL 808 Cb 0.15 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.17 2ckj h VAL 808 CO -0.06 0.17 -0.14 0.58 -1.23 0.00 0.00 177.57 176.90 2ckj h VAL 809 N 0.92 0.60 -0.79 7.19 2.07 -1.66 -3.26 116.25 121.31 2ckj h VAL 809 Ca 0.51 -0.81 0.14 0.00 0.82 0.00 0.00 66.70 67.36 2ckj h VAL 809 Cb 0.61 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2ckj h VAL 809 CO -0.29 0.13 0.36 0.28 0.02 0.00 0.00 177.57 178.08 2ckj h SER 810 N -0.90 0.40 0.10 0.57 0.02 -0.93 -0.66 113.55 112.15 2ckj h SER 810 Ca -0.04 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2ckj h SER 810 Cb 0.51 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 2ckj h SER 810 CO 0.06 0.17 -0.32 0.00 -1.14 0.00 0.00 176.83 175.60 2ckj h THR 811 N 0.53 0.32 0.46 -2.27 1.03 -1.24 0.05 112.91 111.79 2ckj h THR 811 Ca 0.43 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.82 2ckj h THR 811 Cb 0.62 0.32 -0.02 0.00 -1.07 0.00 0.00 68.15 68.00 2ckj h THR 811 CO -0.37 0.00 -0.42 0.00 -0.01 0.00 0.00 175.52 174.71 2ckj h ALA 812 N 0.13 -0.95 -0.93 0.00 0.00 -1.17 -2.89 119.26 113.45 2ckj h ALA 812 Ca 0.04 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.93 2ckj h ALA 812 Cb 0.57 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2ckj h ALA 812 CO -0.20 -1.07 -0.38 0.28 0.00 0.00 0.00 179.25 177.88 2ckj h VAL 813 N -0.89 0.03 -0.69 0.00 2.07 -1.47 -2.01 116.25 113.29 2ckj h VAL 813 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 2ckj h VAL 813 Cb 0.77 0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 2ckj h VAL 813 CO -0.05 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.28 2ckj h ALA 814 N 1.31 0.24 -0.84 1.67 0.00 -0.76 -1.75 119.26 119.13 2ckj h ALA 814 Ca 0.33 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2ckj h ALA 814 Cb 0.59 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2ckj h ALA 814 CO -0.94 -0.54 0.46 1.25 0.00 0.00 0.00 179.25 179.48 2ckj h LEU 815 N -0.07 1.06 -0.45 0.00 5.85 -1.35 0.17 115.31 120.51 2ckj h LEU 815 Ca 0.30 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2ckj h LEU 815 Cb 0.55 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ckj h LEU 815 CO -0.74 0.86 0.14 0.00 -0.34 0.00 0.00 178.44 178.36 2ckj h ALA 816 N 1.24 0.59 -0.04 1.25 0.00 -1.25 0.80 119.26 121.86 2ckj h ALA 816 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ckj h ALA 816 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2ckj h ALA 816 CO -0.05 0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.47 2ckj h ALA 817 N 0.99 0.05 -0.46 0.00 0.00 -0.51 -1.92 119.26 117.41 2ckj h ALA 817 Ca 0.15 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2ckj h ALA 817 Cb 0.27 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2ckj h ALA 817 CO -0.00 -0.42 -0.08 -0.92 0.00 0.00 0.00 179.25 177.83 2ckj h TYR 818 N -0.01 -0.17 0.73 0.00 3.20 -0.27 0.25 116.97 120.69 2ckj h TYR 818 Ca 0.01 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2ckj h TYR 818 Cb 0.06 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2ckj h TYR 818 CO -0.05 -0.17 -0.39 -0.22 -1.64 0.00 0.00 178.16 175.69 2ckj h LYS 819 N 0.04 -0.99 0.00 1.82 1.63 0.73 -3.32 116.57 116.47 2ckj h LYS 819 Ca 0.22 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2ckj h LYS 819 Cb 0.34 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2ckj h LYS 819 CO -0.44 -0.66 -0.14 1.79 -3.45 0.00 0.00 179.45 176.54 2ckj h THR 820 N -1.03 0.00 -0.15 1.00 1.35 -1.37 -3.48 112.91 109.22 2ckj h THR 820 Ca -0.10 -0.55 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 2ckj h THR 820 Cb 0.81 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 2ckj h THR 820 CO 0.14 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 175.96 2ckj n GLY 821 N 1.29 0.63 3.28 5.82 0.00 0.88 -4.99 105.19 112.10 2ckj n GLY 821 Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2ckj n GLY 821 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ckj s ARG 822 N -1.82 0.82 0.47 1.61 1.70 -1.23 -4.89 118.95 115.62 2ckj s ARG 822 Ca 0.00 -0.39 -0.23 0.00 -0.47 0.00 0.00 55.73 54.64 2ckj s ARG 822 Cb 0.00 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 2ckj s ARG 822 CO 0.00 -0.26 1.10 -0.35 -1.08 0.00 0.00 175.30 174.71 2ckj n PRO 823 N 0.70 1.44 -3.87 3.89 -0.04 -1.26 -4.49 135.00 131.37 2ckj n PRO 823 Ca -0.19 0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2ckj n PRO 823 Cb 0.59 -2.21 -0.14 0.00 -0.04 0.00 0.00 33.50 31.69 2ckj n PRO 823 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ckj s VAL 824 N -1.31 0.00 0.18 0.52 1.01 -0.77 0.11 120.40 120.14 2ckj s VAL 824 Ca 0.66 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2ckj s VAL 824 Cb -0.50 -0.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2ckj s VAL 824 CO 0.54 -0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.55 2ckj s ARG 825 N -0.01 1.17 -0.04 2.72 1.70 -0.69 -1.31 118.95 122.49 2ckj s ARG 825 Ca -0.00 -1.53 -0.30 0.00 -0.47 0.00 0.00 55.73 53.43 2ckj s ARG 825 Cb -0.00 -0.71 0.07 0.00 -0.57 0.00 0.00 34.95 33.74 2ckj s ARG 825 CO -0.00 0.05 0.66 0.00 -1.08 0.00 0.00 175.30 174.94 2ckj s MET 827 N -1.24 0.37 0.51 0.00 0.00 -1.26 -1.01 119.30 116.67 2ckj s MET 827 Ca -0.11 0.73 -0.20 0.00 0.00 0.00 0.00 55.69 56.11 2ckj s MET 827 Cb -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 34.83 34.75 2ckj s MET 827 CO 0.09 -0.15 1.08 -0.51 0.00 0.00 0.00 175.02 175.54 2ckj s LEU 828 N 1.25 3.81 0.49 4.11 1.43 -1.11 -5.01 118.68 123.66 2ckj s LEU 828 Ca -0.08 2.06 -0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2ckj s LEU 828 Cb -0.08 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 2ckj s LEU 828 CO -0.11 -0.98 0.81 -1.81 0.23 0.00 0.00 176.35 174.48 2ckj s ASP 829 N -1.86 6.25 0.18 2.29 1.01 -1.26 -4.78 116.67 118.51 2ckj s ASP 829 Ca 0.70 0.96 -0.13 0.00 0.71 0.00 0.00 52.55 54.79 2ckj s ASP 829 Cb -0.20 -2.26 0.15 0.00 1.01 0.00 0.00 42.92 41.62 2ckj s ASP 829 CO 0.24 -0.60 1.77 -0.09 0.21 0.00 0.00 175.17 176.69 2ckj h ARG 830 N 0.18 0.41 -0.61 8.23 2.43 -1.84 0.96 114.38 124.15 2ckj h ARG 830 Ca -0.47 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 58.77 2ckj h ARG 830 Cb 1.20 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 2ckj h ARG 830 CO 0.62 0.27 0.41 0.38 -1.51 0.00 0.00 179.97 180.14 2ckj h ASP 831 N 0.43 0.40 -0.04 -3.80 3.04 -1.84 -2.57 116.42 112.03 2ckj h ASP 831 Ca 0.23 0.01 -0.17 0.00 -3.24 0.00 0.00 57.03 53.86 2ckj h ASP 831 Cb 0.19 -0.08 0.01 0.00 -1.04 0.00 0.00 39.33 38.41 2ckj h ASP 831 CO -0.19 0.25 -0.63 -0.33 -2.04 0.00 0.00 179.24 176.29 2ckj h GLU 832 N 0.45 0.50 -0.29 4.15 5.08 -1.21 -3.32 114.58 119.93 2ckj h GLU 832 Ca 0.28 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2ckj h GLU 832 Cb 0.49 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2ckj h GLU 832 CO -0.08 1.12 0.18 0.22 -1.00 0.00 0.00 179.01 179.45 2ckj h ASP 833 N 0.06 0.30 0.43 1.42 3.58 -0.97 -1.71 116.42 119.53 2ckj h ASP 833 Ca -0.07 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2ckj h ASP 833 Cb 1.31 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 2ckj h ASP 833 CO 0.13 0.22 -0.07 0.24 -2.88 0.00 0.00 179.24 176.88 2ckj h MET 834 N 0.37 0.00 0.00 0.28 2.86 -1.60 -2.28 114.93 114.56 2ckj h MET 834 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2ckj h MET 834 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2ckj h MET 834 CO -0.04 0.07 0.00 -0.11 1.06 0.00 0.00 176.91 177.89 2ckj n LEU 835 N -3.42 0.06 0.13 1.22 7.94 -0.70 -4.28 117.00 117.96 2ckj n LEU 835 Ca -0.02 0.68 -0.13 0.00 -1.11 0.00 0.00 56.01 55.43 2ckj n LEU 835 Cb 0.22 -0.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.63 2ckj n LEU 835 CO 0.27 -0.48 0.68 0.40 -1.11 0.00 0.00 177.39 177.16 2ckj h ILE 836 N 0.00 0.41 -0.06 1.96 2.04 -1.28 -3.26 117.51 117.32 2ckj h ILE 836 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 2ckj h ILE 836 Cb 0.00 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2ckj h ILE 836 CO 0.00 0.00 -0.72 0.71 0.00 0.00 0.00 178.15 178.14 2ckj h THR 837 N -0.50 1.40 -2.32 -0.27 1.35 -1.67 -3.45 112.91 107.44 2ckj h THR 837 Ca 0.02 -2.17 0.27 0.00 -0.55 0.00 0.00 66.41 63.98 2ckj h THR 837 Cb 0.51 2.14 -0.08 0.00 -1.73 0.00 0.00 68.15 68.99 2ckj h THR 837 CO -0.13 0.65 -0.49 0.61 -0.25 0.00 0.00 175.52 175.91 2ckj n GLY 838 N 0.53 -2.04 3.66 5.82 0.00 -1.23 -4.76 105.19 107.17 2ckj n GLY 838 Ca -0.04 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 2ckj n GLY 838 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 839 N -3.51 2.18 3.76 -0.02 0.00 -1.26 -4.66 105.19 101.68 2ckj n GLY 839 Ca -0.01 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 2ckj n GLY 839 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ckj s ARG 840 N -4.38 3.26 0.03 1.61 3.52 0.24 -1.73 118.95 121.50 2ckj s ARG 840 Ca 0.50 1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 57.56 2ckj s ARG 840 Cb -0.04 -2.06 -0.07 0.00 -1.56 0.00 0.00 34.95 31.23 2ckj s ARG 840 CO 0.32 -0.96 1.50 -1.01 -0.81 0.00 0.00 175.30 174.33 2ckj s HIS 841 N -1.63 2.70 0.63 5.12 3.76 -1.26 -3.59 115.29 121.02 2ckj s HIS 841 Ca 0.73 0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 56.17 2ckj s HIS 841 Cb -0.28 -3.79 -0.00 0.00 1.11 0.00 0.00 32.58 29.62 2ckj s HIS 841 CO 0.32 -3.02 0.99 -1.25 -0.85 0.00 0.00 174.74 170.94 2ckj s PRO 842 N 2.44 3.08 0.02 8.40 0.05 -1.26 -4.71 135.00 143.02 2ckj s PRO 842 Ca 0.68 0.34 0.03 0.00 0.05 0.00 0.00 61.00 62.11 2ckj s PRO 842 Cb -0.35 -2.14 -0.02 0.00 0.05 0.00 0.00 34.50 32.04 2ckj s PRO 842 CO 0.29 -0.77 -0.11 -0.06 0.05 0.00 0.00 177.00 176.41 2ckj s PHE 843 N -3.15 0.94 -0.24 0.56 0.08 -0.72 -2.21 117.98 113.23 2ckj s PHE 843 Ca 0.55 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.21 2ckj s PHE 843 Cb -0.11 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2ckj s PHE 843 CO 0.49 -0.00 0.11 -1.17 -0.10 0.00 0.00 175.22 174.55 2ckj s LEU 844 N -0.88 3.74 0.03 -0.37 2.96 0.22 -1.12 118.68 123.27 2ckj s LEU 844 Ca -0.00 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2ckj s LEU 844 Cb -0.07 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2ckj s LEU 844 CO 0.01 0.01 -0.25 0.00 -1.32 0.00 0.00 176.35 174.80 2ckj s ALA 845 N 1.35 2.08 -0.02 5.97 0.00 -1.08 -1.81 121.76 128.25 2ckj s ALA 845 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2ckj s ALA 845 Cb -0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2ckj s ALA 845 CO 0.05 0.49 -0.14 1.03 0.00 0.00 0.00 175.76 177.19 2ckj s ARG 846 N -1.07 2.41 0.23 0.00 0.52 -1.08 -1.77 118.95 118.19 2ckj s ARG 846 Ca 0.10 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2ckj s ARG 846 Cb -0.10 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 2ckj s ARG 846 CO 0.01 0.60 0.12 1.52 0.02 0.00 0.00 175.30 177.57 2ckj s TYR 847 N -0.81 1.33 -0.21 -0.53 -0.85 0.14 -1.53 117.35 114.90 2ckj s TYR 847 Ca 0.13 -1.30 -0.09 0.00 -0.52 0.00 0.00 57.07 55.29 2ckj s TYR 847 Cb -0.11 -0.71 0.08 0.00 0.38 0.00 0.00 41.96 41.61 2ckj s TYR 847 CO 0.03 -0.51 0.46 0.21 -1.52 0.00 0.00 175.55 174.21 2ckj s LYS 848 N -4.09 0.40 -0.05 -3.49 2.20 -1.01 -1.90 119.74 111.80 2ckj s LYS 848 Ca 0.38 1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 57.00 2ckj s LYS 848 Cb 0.07 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 2ckj s LYS 848 CO 0.13 -0.21 0.03 0.54 -0.36 0.00 0.00 175.35 175.48 2ckj s VAL 849 N 2.20 0.11 -0.08 4.02 0.11 0.40 -1.05 120.40 126.11 2ckj s VAL 849 Ca -0.05 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 2ckj s VAL 849 Cb -0.10 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2ckj s VAL 849 CO -0.14 0.20 0.27 -0.83 -3.33 0.00 0.00 175.10 171.26 2ckj s GLY 850 N 1.83 2.29 -0.03 6.54 0.00 0.12 -2.96 107.32 115.10 2ckj s GLY 850 Ca 0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 2ckj s GLY 850 CO -0.03 -0.04 0.44 -0.11 0.00 0.00 0.00 173.10 173.36 2ckj s PHE 851 N -0.78 -0.35 1.00 1.90 -0.12 -0.64 -1.71 117.98 117.28 2ckj s PHE 851 Ca 0.18 0.59 -0.12 0.00 -0.05 0.00 0.00 56.93 57.53 2ckj s PHE 851 Cb -0.14 0.21 0.19 0.00 -0.63 0.00 0.00 43.02 42.65 2ckj s PHE 851 CO 0.07 -0.46 1.08 -1.64 -0.05 0.00 0.00 175.22 174.22 2ckj s MET 852 N -1.24 0.38 0.00 1.99 -1.94 -0.68 -1.48 119.30 116.32 2ckj s MET 852 Ca -0.12 0.64 0.27 0.00 -1.71 0.00 0.00 55.69 54.77 2ckj s MET 852 Cb -0.03 -1.72 0.91 0.00 2.01 0.00 0.00 34.83 35.99 2ckj s MET 852 CO 0.06 -2.80 1.66 0.36 -0.01 0.00 0.00 175.02 174.29 2ckj n LYS 853 N -4.24 1.39 0.03 2.03 2.85 -1.26 -2.41 118.16 116.55 2ckj n LYS 853 Ca 0.05 -0.83 -0.05 0.00 -1.05 0.00 0.00 58.31 56.42 2ckj n LYS 853 Cb 0.56 -1.48 0.14 0.00 -0.65 0.00 0.00 35.03 33.60 2ckj n LYS 853 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ckj h THR 854 N 2.03 1.31 0.00 0.58 1.35 -1.98 -3.48 112.91 112.73 2ckj h THR 854 Ca 0.00 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2ckj h THR 854 Cb 0.52 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2ckj h THR 854 CO 0.00 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2ckj n GLY 855 N -0.03 1.18 3.63 5.82 0.00 -1.01 -4.98 105.19 109.79 2ckj n GLY 855 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2ckj n GLY 855 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 856 N -2.00 3.10 0.42 2.61 2.01 -1.26 -4.80 115.64 115.71 2ckj s THR 856 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 2ckj s THR 856 Cb 0.00 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 2ckj s THR 856 CO 0.00 -0.04 0.96 0.54 -0.69 0.00 0.00 174.62 175.39 2ckj s VAL 857 N 6.47 4.27 0.00 3.82 0.11 -1.26 -1.69 120.40 132.11 2ckj s VAL 857 Ca 0.92 1.51 0.00 0.00 -2.93 0.00 0.00 61.98 61.48 2ckj s VAL 857 Cb -0.36 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2ckj s VAL 857 CO 0.37 -0.22 0.00 0.52 -3.33 0.00 0.00 175.10 172.44 2ckj n VAL 858 N -0.44 0.00 -3.67 2.04 0.31 -0.70 -4.74 118.33 111.14 2ckj n VAL 858 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 2ckj n VAL 858 Cb 0.53 -0.07 -0.08 0.00 -0.91 0.00 0.00 33.84 33.32 2ckj n VAL 858 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s ALA 859 N -0.87 -1.19 -0.20 3.52 0.00 -1.12 -4.08 121.76 117.83 2ckj s ALA 859 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 2ckj s ALA 859 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.13 2ckj s ALA 859 CO 0.00 -0.30 0.52 -1.17 0.00 0.00 0.00 175.76 174.81 2ckj s LEU 860 N -1.11 -0.17 -0.10 0.00 2.96 -0.73 0.11 118.68 119.64 2ckj s LEU 860 Ca -0.11 1.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 2ckj s LEU 860 Cb -0.03 1.76 0.02 0.00 0.50 0.00 0.00 46.19 48.45 2ckj s LEU 860 CO 0.06 -0.19 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.12 2ckj s GLU 861 N 0.80 1.43 -0.02 1.98 2.12 -0.22 -1.90 118.70 122.89 2ckj s GLU 861 Ca -0.04 -0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 2ckj s GLU 861 Cb -0.05 -1.47 0.03 0.00 0.26 0.00 0.00 34.13 32.89 2ckj s GLU 861 CO -0.06 -0.23 0.03 0.08 -0.54 0.00 0.00 175.26 174.54 2ckj s VAL 862 N 1.57 -0.05 -0.26 3.70 1.01 0.12 -2.40 120.40 124.09 2ckj s VAL 862 Ca 0.02 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 2ckj s VAL 862 Cb -0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2ckj s VAL 862 CO -0.06 0.10 0.16 -1.81 0.00 0.00 0.00 175.10 173.49 2ckj s ASP 863 N 1.19 5.92 -0.06 3.32 1.01 -0.58 -2.80 116.67 124.68 2ckj s ASP 863 Ca -0.08 0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.19 2ckj s ASP 863 Cb -0.13 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2ckj s ASP 863 CO -0.03 0.00 -0.02 -1.00 0.21 0.00 0.00 175.17 174.34 2ckj s HIS 864 N 1.42 3.08 -0.26 4.23 3.76 -0.64 -2.62 115.29 124.26 2ckj s HIS 864 Ca 0.07 0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2ckj s HIS 864 Cb -0.15 -1.74 0.12 0.00 1.11 0.00 0.00 32.58 31.92 2ckj s HIS 864 CO 0.07 0.43 0.26 -0.06 -0.85 0.00 0.00 174.74 174.60 2ckj s PHE 865 N -0.92 -0.36 0.00 1.40 0.40 -0.75 -0.37 117.98 117.38 2ckj s PHE 865 Ca 0.15 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2ckj s PHE 865 Cb -0.11 -0.42 0.00 0.00 0.51 0.00 0.00 43.02 42.99 2ckj s PHE 865 CO 0.04 -0.79 0.00 0.45 0.70 0.00 0.00 175.22 175.63 2ckj n SER 866 N 5.31 0.00 -4.69 1.36 2.88 -1.23 0.71 113.62 117.96 2ckj n SER 866 Ca -0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 2ckj n SER 866 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 2ckj n SER 866 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ckj s ASN 867 N 0.00 7.19 -0.16 -3.46 3.84 -0.94 -2.08 114.94 119.33 2ckj s ASN 867 Ca 0.00 1.45 -0.04 0.00 0.21 0.00 0.00 52.86 54.49 2ckj s ASN 867 Cb 0.00 -2.52 -0.23 0.00 -0.55 0.00 0.00 41.25 37.94 2ckj s ASN 867 CO 0.00 -0.36 0.19 0.52 -2.79 0.00 0.00 177.10 174.66 2ckj n VAL 868 N 4.35 1.70 -2.24 -5.21 0.31 -0.82 -4.41 118.33 112.01 2ckj n VAL 868 Ca 0.06 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2ckj n VAL 868 Cb 0.50 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2ckj n VAL 868 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 869 N 2.07 -1.15 1.26 2.92 0.00 -1.26 -1.66 105.19 107.38 2ckj n GLY 869 Ca -0.36 -1.55 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 2ckj n GLY 869 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 870 N 0.21 3.54 -3.58 1.61 6.94 -0.97 -3.10 115.26 119.91 2ckj n ASN 870 Ca 0.00 -3.36 -0.14 0.00 -0.02 0.00 0.00 54.58 51.06 2ckj n ASN 870 Cb 0.00 -0.63 -0.06 0.00 -2.36 0.00 0.00 39.78 36.73 2ckj n ASN 870 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ckj s THR 871 N -3.04 0.00 0.05 5.53 -1.32 -1.26 -4.93 115.64 110.66 2ckj s THR 871 Ca 0.46 0.00 -0.35 0.00 -1.21 0.00 0.00 61.69 60.59 2ckj s THR 871 Cb 0.39 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 70.19 2ckj s THR 871 CO 0.07 0.00 1.45 -0.61 -2.21 0.00 0.00 174.62 173.32 2ckj h GLN 872 N 3.66 -1.21 0.00 7.08 4.15 -1.95 -3.45 115.11 123.39 2ckj h GLN 872 Ca -0.26 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2ckj h GLN 872 Cb 1.16 0.27 0.00 0.00 0.21 0.00 0.00 27.48 29.12 2ckj h GLN 872 CO 0.23 -0.80 0.00 -3.47 -1.93 0.00 0.00 178.83 172.86 2ckj n ASP 873 N -5.55 -1.37 0.00 -0.69 -0.08 -1.26 -2.85 116.55 104.75 2ckj n ASP 873 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2ckj n ASP 873 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2ckj n ASP 873 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ckj n LEU 874 N 0.00 0.00 0.23 -2.67 4.77 -1.26 -4.19 117.00 113.87 2ckj n LEU 874 Ca 0.00 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 2ckj n LEU 874 Cb 0.00 -0.10 0.78 0.00 -2.33 0.00 0.00 43.42 41.77 2ckj n LEU 874 CO 0.00 -0.10 1.12 0.28 -1.33 0.00 0.00 177.39 177.36 2ckj h SER 875 N 0.00 0.00 0.13 -1.43 0.02 -1.82 0.91 113.55 111.36 2ckj h SER 875 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2ckj h SER 875 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2ckj h SER 875 CO 0.00 0.00 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.02 2ckj h GLN 876 N 0.00 -0.17 -0.15 3.45 4.15 -1.85 -2.45 115.11 118.09 2ckj h GLN 876 Ca 0.05 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.53 2ckj h GLN 876 Cb 0.26 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2ckj h GLN 876 CO -0.00 0.25 0.12 0.77 -1.93 0.00 0.00 178.83 178.04 2ckj h SER 877 N -0.65 0.00 0.01 -0.69 0.02 -1.15 -2.27 113.55 108.82 2ckj h SER 877 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ckj h SER 877 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2ckj h SER 877 CO 0.03 0.00 -0.00 0.40 -1.14 0.00 0.00 176.83 176.12 2ckj h ILE 878 N 0.00 1.27 -0.86 3.27 2.04 -1.33 -2.30 117.51 119.60 2ckj h ILE 878 Ca 0.07 -0.83 0.17 0.00 1.00 0.00 0.00 64.86 65.27 2ckj h ILE 878 Cb 0.31 1.84 -0.10 0.00 -0.74 0.00 0.00 36.82 38.12 2ckj h ILE 878 CO -0.00 0.21 0.42 -0.03 0.00 0.00 0.00 178.15 178.75 2ckj h MET 879 N -0.36 0.53 0.34 2.37 4.05 -0.94 0.13 114.93 121.05 2ckj h MET 879 Ca -0.00 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2ckj h MET 879 Cb 0.36 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2ckj h MET 879 CO 0.00 0.35 -0.16 0.93 0.23 0.00 0.00 176.91 178.26 2ckj h GLU 880 N 0.54 -0.44 -0.20 0.39 5.08 -1.35 -0.86 114.58 117.75 2ckj h GLU 880 Ca 0.49 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.93 2ckj h GLU 880 Cb 0.78 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2ckj h GLU 880 CO -0.42 -0.28 0.14 -0.09 -1.00 0.00 0.00 179.01 177.37 2ckj h ARG 881 N -0.47 0.04 -0.15 2.33 2.43 -0.73 0.14 114.38 117.97 2ckj h ARG 881 Ca -0.05 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2ckj h ARG 881 Cb 0.36 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2ckj h ARG 881 CO 0.08 0.03 -0.02 0.00 -1.51 0.00 0.00 179.97 178.55 2ckj h ALA 882 N 1.90 0.12 0.06 2.80 0.00 0.33 -3.06 119.26 121.41 2ckj h ALA 882 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ckj h ALA 882 Cb 0.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ckj h ALA 882 CO -0.01 -0.46 -0.03 -0.07 0.00 0.00 0.00 179.25 178.68 2ckj h LEU 883 N 0.03 -0.07 -0.21 0.00 3.38 0.27 0.61 115.31 119.33 2ckj h LEU 883 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ckj h LEU 883 Cb 0.10 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ckj h LEU 883 CO -0.14 0.10 0.49 0.49 0.09 0.00 0.00 178.44 179.47 2ckj n PHE 884 N -5.05 0.11 -0.04 1.13 0.99 -0.78 -2.04 117.46 111.78 2ckj n PHE 884 Ca -0.08 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2ckj n PHE 884 Cb 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.39 2ckj n PHE 884 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2ckj n HIS 885 N -1.55 0.00 0.32 1.38 8.25 0.20 -4.67 115.22 119.15 2ckj n HIS 885 Ca -0.00 -0.21 0.21 0.00 -0.26 0.00 0.00 57.72 57.47 2ckj n HIS 885 Cb 0.49 -0.02 1.10 0.00 1.12 0.00 0.00 29.99 32.68 2ckj n HIS 885 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ckj h MET 886 N 0.00 0.00 0.00 -0.41 -0.00 -1.33 -2.66 114.93 110.53 2ckj h MET 886 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ckj h MET 886 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2ckj h MET 886 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.91 177.29 2ckj h ASP 887 N 0.00 0.00 0.00 -0.10 2.03 -1.83 -3.42 116.42 113.10 2ckj h ASP 887 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ckj h ASP 887 Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 2ckj h ASP 887 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.01 2ckj n ASN 888 N -3.06 0.00 -0.86 4.15 5.15 -1.00 -0.35 115.26 119.28 2ckj n ASN 888 Ca 0.03 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.03 2ckj n ASN 888 Cb 0.48 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.94 2ckj n ASN 888 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ckj s TYR 890 N -3.17 2.71 0.18 0.00 1.51 0.52 -1.99 117.35 117.12 2ckj s TYR 890 Ca 0.41 -0.32 -0.24 0.00 -1.01 0.00 0.00 57.07 55.91 2ckj s TYR 890 Cb 0.38 -1.68 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2ckj s TYR 890 CO -0.01 0.06 0.77 -1.59 -1.11 0.00 0.00 175.55 173.67 2ckj s LYS 891 N -0.41 4.51 -0.37 -0.62 -2.85 -0.93 -4.78 119.74 114.30 2ckj s LYS 891 Ca 0.05 1.12 -0.05 0.00 -1.00 0.00 0.00 55.97 56.09 2ckj s LYS 891 Cb -0.12 -3.18 0.20 0.00 -2.06 0.00 0.00 37.83 32.67 2ckj s LYS 891 CO 0.02 0.53 1.00 -1.50 0.10 0.00 0.00 175.35 175.50 2ckj s ILE 892 N -1.23 -0.37 -2.05 3.79 2.07 -1.26 -4.92 121.20 117.23 2ckj s ILE 892 Ca 0.37 -0.23 0.31 0.00 -1.41 0.00 0.00 60.65 59.69 2ckj s ILE 892 Cb -0.22 0.00 0.84 0.00 0.13 0.00 0.00 42.46 43.21 2ckj s ILE 892 CO 0.25 0.00 2.14 -0.81 -1.91 0.00 0.00 174.94 174.61 2ckj n PRO 893 N 3.10 1.08 -3.47 3.50 -0.05 -1.26 -4.45 135.00 133.44 2ckj n PRO 893 Ca 0.11 -0.11 -0.13 0.00 -0.05 0.00 0.00 63.50 63.32 2ckj n PRO 893 Cb 0.63 -1.48 -0.11 0.00 -0.05 0.00 0.00 33.50 32.49 2ckj n PRO 893 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2ckj s ASN 894 N -1.97 0.59 -0.23 3.54 0.01 -1.26 -4.10 114.94 111.52 2ckj s ASN 894 Ca 0.45 0.20 -0.14 0.00 -0.71 0.00 0.00 52.86 52.67 2ckj s ASN 894 Cb 0.21 0.82 0.07 0.00 0.41 0.00 0.00 41.25 42.77 2ckj s ASN 894 CO 0.35 -0.29 0.58 -0.51 -1.51 0.00 0.00 177.10 175.72 2ckj s ILE 895 N 2.46 -0.01 -0.15 0.60 2.07 -0.53 -1.77 121.20 123.87 2ckj s ILE 895 Ca 0.08 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 2ckj s ILE 895 Cb -0.15 -0.84 0.05 0.00 0.13 0.00 0.00 42.46 41.65 2ckj s ILE 895 CO -0.13 0.01 -0.00 -0.60 -1.91 0.00 0.00 174.94 172.31 2ckj s ARG 896 N 1.41 0.89 -0.09 3.50 3.52 -0.80 -3.03 118.95 124.35 2ckj s ARG 896 Ca -0.09 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2ckj s ARG 896 Cb -0.06 -1.79 0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2ckj s ARG 896 CO -0.15 -0.49 -0.16 0.20 -0.81 0.00 0.00 175.30 173.89 2ckj s GLY 897 N 1.81 1.00 0.45 8.12 0.00 -1.00 -0.70 107.32 117.00 2ckj s GLY 897 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.14 2ckj s GLY 897 CO -0.07 0.04 0.10 -0.51 0.00 0.00 0.00 173.10 172.66 2ckj s THR 898 N 0.68 1.86 -0.05 0.90 -4.23 -1.12 -0.81 115.64 112.87 2ckj s THR 898 Ca -0.13 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 2ckj s THR 898 Cb -0.16 -2.72 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2ckj s THR 898 CO 0.03 0.00 0.87 -0.83 -0.54 0.00 0.00 174.62 174.15 2ckj s GLY 899 N -3.86 -0.43 0.31 3.99 0.00 0.18 -1.63 107.32 105.88 2ckj s GLY 899 Ca 0.30 1.38 0.09 0.00 0.00 0.00 0.00 44.72 46.49 2ckj s GLY 899 CO 0.16 0.67 -0.00 0.50 0.00 0.00 0.00 173.10 174.43 2ckj s ARG 900 N -2.14 2.13 -0.32 2.90 1.81 0.50 -2.16 118.95 121.67 2ckj s ARG 900 Ca -0.00 -1.62 0.03 0.00 -1.72 0.00 0.00 55.73 52.42 2ckj s ARG 900 Cb -0.01 -2.01 0.09 0.00 -0.45 0.00 0.00 34.95 32.57 2ckj s ARG 900 CO -0.02 0.23 0.04 -0.51 -0.68 0.00 0.00 175.30 174.36 2ckj s LEU 901 N -3.69 4.16 -0.19 2.53 1.43 -1.26 -4.29 118.68 117.38 2ckj s LEU 901 Ca 0.33 -1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.28 2ckj s LEU 901 Cb -0.03 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2ckj s LEU 901 CO 0.19 -0.36 0.52 0.00 0.23 0.00 0.00 176.35 176.93 2ckj s LYS 903 N 1.48 4.22 0.13 0.00 2.20 -1.26 -1.95 119.74 124.56 2ckj s LYS 903 Ca 0.25 1.95 -0.00 0.00 -0.36 0.00 0.00 55.97 57.80 2ckj s LYS 903 Cb -0.15 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2ckj s LYS 903 CO 0.10 -0.74 0.03 0.95 -0.36 0.00 0.00 175.35 175.32 2ckj s THR 904 N 3.51 0.29 -0.27 3.43 -4.23 -1.18 -4.77 115.64 112.42 2ckj s THR 904 Ca 0.65 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.21 2ckj s THR 904 Cb -0.29 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.61 2ckj s THR 904 CO 0.23 -0.56 2.65 0.59 -0.54 0.00 0.00 174.62 177.00 2ckj n ASN 905 N -0.10 6.09 -4.40 3.99 5.03 -0.44 -3.22 115.26 122.21 2ckj n ASN 905 Ca -0.07 -2.93 -0.31 0.00 0.87 0.00 0.00 54.58 52.15 2ckj n ASN 905 Cb 0.63 -1.21 -0.14 0.00 -1.02 0.00 0.00 39.78 38.04 2ckj n ASN 905 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ckj s LEU 906 N -1.38 2.40 0.52 3.41 1.43 -1.26 -3.58 118.68 120.22 2ckj s LEU 906 Ca 0.46 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 2ckj s LEU 906 Cb 0.29 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 2ckj s LEU 906 CO -0.09 0.27 1.05 -0.81 0.23 0.00 0.00 176.35 177.00 2ckj n PRO 907 N 1.74 1.25 -2.10 1.29 -0.04 -1.26 -2.28 135.00 133.61 2ckj n PRO 907 Ca -0.17 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 2ckj n PRO 907 Cb 0.52 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 2ckj n PRO 907 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ckj s SER 908 N -0.96 6.74 0.34 3.54 0.15 -1.26 -4.58 113.70 117.68 2ckj s SER 908 Ca 0.69 2.22 -0.26 0.00 0.70 0.00 0.00 55.95 59.30 2ckj s SER 908 Cb -0.47 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.19 2ckj s SER 908 CO 0.52 -0.82 1.04 0.20 1.20 0.00 0.00 173.24 175.38 2ckj s ASN 909 N 2.38 7.05 0.00 5.45 -0.87 -0.66 -4.48 114.94 123.81 2ckj s ASN 909 Ca 0.68 2.08 0.00 0.00 -1.57 0.00 0.00 52.86 54.05 2ckj s ASN 909 Cb -0.34 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.29 2ckj s ASN 909 CO 0.28 -0.29 0.00 0.41 -2.57 0.00 0.00 177.10 174.93 2ckj n THR 910 N 0.50 0.00 -2.61 1.60 -1.04 -0.70 -4.75 114.28 107.28 2ckj n THR 910 Ca 0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 2ckj n THR 910 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 2ckj n THR 910 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ckj s ALA 911 N -2.00 3.24 -0.15 2.41 0.00 -1.26 -4.53 121.76 119.47 2ckj s ALA 911 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 2ckj s ALA 911 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.82 2ckj s ALA 911 CO 0.00 -0.30 0.22 0.12 0.00 0.00 0.00 175.76 175.80 2ckj s PHE 912 N 1.01 -0.30 0.00 0.00 5.99 -1.26 -2.09 117.98 121.32 2ckj s PHE 912 Ca 0.54 0.58 0.00 0.00 0.00 0.00 0.00 56.93 58.05 2ckj s PHE 912 Cb -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 43.02 42.55 2ckj s PHE 912 CO 0.28 -0.43 0.00 -2.13 -0.00 0.00 0.00 175.22 172.94 2ckj n ARG 913 N 5.33 0.00 0.00 10.12 0.63 -1.13 -1.33 116.66 130.27 2ckj n ARG 913 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2ckj n ARG 913 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 2ckj n ARG 913 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ckj n GLY 914 N 0.00 3.03 2.73 5.14 0.00 -1.26 -4.91 105.19 109.92 2ckj n GLY 914 Ca 0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2ckj n GLY 914 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 915 N 0.00 -1.52 0.00 1.61 -0.00 -0.44 -2.26 117.46 114.85 2ckj n PHE 915 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.45 57.82 2ckj n PHE 915 Cb 0.00 -3.87 0.00 0.00 -0.00 0.00 0.00 39.48 35.61 2ckj n PHE 915 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ckj n GLY 916 N -1.34 1.69 0.09 7.13 0.00 -1.26 -4.47 105.19 107.02 2ckj n GLY 916 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 916 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 917 N 0.00 0.17 1.90 -0.02 0.00 -1.71 -3.05 103.07 100.36 2ckj h GLY 917 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2ckj h GLY 917 CO 0.00 0.11 0.04 -0.56 0.00 0.00 0.00 176.54 176.13 2ckj h PRO 918 N -0.10 0.00 -6.56 4.80 0.13 -1.83 -3.10 132.00 125.33 2ckj h PRO 918 Ca 0.03 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.63 2ckj h PRO 918 Cb 0.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.47 2ckj h PRO 918 CO 0.00 0.00 0.66 -0.65 -0.23 0.00 0.00 178.00 177.79 2ckj s GLN 919 N -4.91 4.37 -0.04 0.86 1.11 -1.15 -4.33 119.66 115.57 2ckj s GLN 919 Ca -0.05 1.99 -0.00 0.00 0.01 0.00 0.00 55.36 57.30 2ckj s GLN 919 Cb 0.16 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.89 2ckj s GLN 919 CO 0.63 -0.34 0.19 0.41 0.01 0.00 0.00 175.29 176.19 2ckj n GLY 920 N 3.13 -0.02 3.56 3.09 0.00 -1.26 -4.76 105.19 108.94 2ckj n GLY 920 Ca 0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2ckj n GLY 920 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ckj s MET 921 N 0.79 2.13 0.00 1.61 -1.94 -1.17 -3.87 119.30 116.85 2ckj s MET 921 Ca 0.06 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2ckj s MET 921 Cb -0.04 -4.99 0.00 0.00 2.01 0.00 0.00 34.83 31.81 2ckj s MET 921 CO 0.02 -3.98 0.00 -0.11 -0.01 0.00 0.00 175.02 170.94 2ckj n LEU 922 N 16.00 0.00 0.00 -0.03 -0.00 -1.26 -4.68 117.00 127.02 2ckj n LEU 922 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 2ckj n LEU 922 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2ckj n LEU 922 CO 0.59 0.00 0.12 -0.38 -0.00 0.00 0.00 177.39 177.72 2ckj n ILE 923 N 0.00 0.00 -1.67 1.96 2.08 -1.25 -3.87 119.36 116.60 2ckj n ILE 923 Ca 0.00 0.75 -0.52 0.00 0.56 0.00 0.00 62.75 63.54 2ckj n ILE 923 Cb 0.00 -1.69 -0.06 0.00 -0.75 0.00 0.00 39.64 37.14 2ckj n ILE 923 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ckj n ALA 924 N -1.79 0.24 0.00 -1.39 0.00 -1.26 -1.79 120.51 114.52 2ckj n ALA 924 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2ckj n ALA 924 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2ckj n ALA 924 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ckj n GLU 925 N 4.86 0.00 0.00 0.00 0.00 -1.25 -4.33 120.64 119.92 2ckj n GLU 925 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.38 2ckj n GLU 925 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.66 2ckj n GLU 925 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ckj n TRP 927 N -0.34 0.00 0.01 0.00 -0.00 -1.25 -1.04 117.44 114.82 2ckj n TRP 927 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 2ckj n TRP 927 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 2ckj n TRP 927 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 2ckj h MET 928 N 0.00 -0.03 0.00 5.87 4.05 -1.81 0.13 114.93 123.14 2ckj h MET 928 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2ckj h MET 928 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2ckj h MET 928 CO 0.00 -0.02 0.00 -1.13 0.23 0.00 0.00 176.91 175.99 2ckj n SER 929 N -5.16 0.00 0.02 1.39 3.41 -0.78 -2.24 113.62 110.26 2ckj n SER 929 Ca -0.05 0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.36 2ckj n SER 929 Cb 0.09 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.58 2ckj n SER 929 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ckj h GLU 930 N 0.00 0.27 0.00 4.33 5.08 -0.08 -3.11 114.58 121.08 2ckj h GLU 930 Ca 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ckj h GLU 930 Cb 0.25 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2ckj h GLU 930 CO 0.00 1.22 0.00 0.28 -1.00 0.00 0.00 179.01 179.51 2ckj n VAL 931 N -3.92 0.00 0.24 3.13 0.31 -0.06 -1.56 118.33 116.47 2ckj n VAL 931 Ca -0.23 0.83 0.00 0.00 -0.01 0.00 0.00 64.34 64.93 2ckj n VAL 931 Cb 0.91 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2ckj n VAL 931 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj n ALA 932 N -1.60 0.00 -0.08 3.52 0.00 -0.95 0.97 120.51 122.38 2ckj n ALA 932 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2ckj n ALA 932 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2ckj n ALA 932 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ckj n VAL 933 N -1.98 1.58 -0.05 0.00 0.31 -1.05 -2.88 118.33 114.25 2ckj n VAL 933 Ca 0.00 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.58 2ckj n VAL 933 Cb 0.75 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 32.27 2ckj n VAL 933 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ckj h THR 934 N 0.02 1.10 -0.49 2.52 2.02 0.17 -2.95 112.91 115.30 2ckj h THR 934 Ca -0.51 -0.26 0.10 0.00 0.77 0.00 0.00 66.41 66.51 2ckj h THR 934 Cb 1.99 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 69.21 2ckj h THR 934 CO -0.01 0.10 -0.09 0.00 0.37 0.00 0.00 175.52 175.89 2ckj n GLY 936 N -1.34 -0.83 0.00 0.00 0.00 -1.12 -5.09 105.19 96.82 2ckj n GLY 936 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2ckj n GLY 936 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ckj n MET 937 N 1.70 0.00 -0.94 1.61 3.85 -1.24 -5.00 117.12 117.10 2ckj n MET 937 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.70 56.38 2ckj n MET 937 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 33.22 32.15 2ckj n MET 937 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2ckj n PRO 938 N 0.00 0.00 0.24 3.17 -0.04 -1.26 -4.79 135.00 132.32 2ckj n PRO 938 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2ckj n PRO 938 Cb 0.00 -0.68 0.62 0.00 -0.04 0.00 0.00 33.50 33.40 2ckj n PRO 938 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj h ALA 939 N 0.60 1.30 0.48 0.55 0.00 -1.98 -1.86 119.26 118.34 2ckj h ALA 939 Ca -0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2ckj h ALA 939 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ckj h ALA 939 CO 0.37 0.22 -0.23 1.49 0.00 0.00 0.00 179.25 181.10 2ckj h GLU 940 N 0.00 -0.62 -0.75 0.00 4.22 -1.94 -3.03 114.58 112.45 2ckj h GLU 940 Ca -0.00 0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.57 2ckj h GLU 940 Cb 0.44 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2ckj h GLU 940 CO 0.02 -0.37 0.50 1.49 -2.18 0.00 0.00 179.01 178.47 2ckj h GLU 941 N -0.74 0.66 -0.37 1.92 4.81 -1.69 -0.80 114.58 118.38 2ckj h GLU 941 Ca -0.07 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 2ckj h GLU 941 Cb 0.54 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2ckj h GLU 941 CO 0.11 0.44 -0.28 0.28 -0.73 0.00 0.00 179.01 178.83 2ckj h VAL 942 N 0.68 1.28 -0.01 0.32 2.07 -1.55 -0.98 116.25 118.07 2ckj h VAL 942 Ca 0.34 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 2ckj h VAL 942 Cb 0.44 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2ckj h VAL 942 CO -0.13 0.48 -0.22 0.03 0.02 0.00 0.00 177.57 177.75 2ckj h ARG 943 N 0.63 0.16 -0.81 1.57 3.08 -1.08 -3.16 114.38 114.77 2ckj h ARG 943 Ca 0.07 -0.17 0.19 0.00 0.07 0.00 0.00 59.98 60.14 2ckj h ARG 943 Cb 0.85 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.83 2ckj h ARG 943 CO 0.07 0.90 0.26 -0.09 -1.07 0.00 0.00 179.97 180.04 2ckj h ARG 944 N -0.51 0.31 -0.74 0.04 2.43 -1.22 -1.65 114.38 113.04 2ckj h ARG 944 Ca -0.03 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2ckj h ARG 944 Cb 0.97 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.37 2ckj h ARG 944 CO 0.04 0.21 0.35 -0.22 -1.51 0.00 0.00 179.97 178.84 2ckj h LYS 945 N 0.32 0.54 -1.19 0.20 3.64 -1.14 -3.22 116.57 115.73 2ckj h LYS 945 Ca 0.48 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 59.27 2ckj h LYS 945 Cb 0.85 -0.12 -0.42 0.00 -0.41 0.00 0.00 32.23 32.13 2ckj h LYS 945 CO -0.53 0.36 -0.79 0.27 -2.27 0.00 0.00 179.45 176.49 2ckj n ASN 946 N -4.91 4.57 -4.72 4.20 2.04 -0.62 -5.02 115.26 110.80 2ckj n ASN 946 Ca 0.13 -3.64 -0.42 0.00 -0.44 0.00 0.00 54.58 50.20 2ckj n ASN 946 Cb 0.33 -0.42 -0.03 0.00 -2.53 0.00 0.00 39.78 37.13 2ckj n ASN 946 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2ckj s LEU 947 N -3.55 4.37 0.48 -4.53 1.43 -1.22 -2.19 118.68 113.47 2ckj s LEU 947 Ca 0.48 2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 2ckj s LEU 947 Cb 0.40 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.91 2ckj s LEU 947 CO -0.09 -0.60 -0.18 -1.22 0.23 0.00 0.00 176.35 174.49 2ckj n TYR 948 N 3.89 -2.69 -4.25 0.29 4.01 -0.84 -4.62 117.16 112.95 2ckj n TYR 948 Ca 0.11 0.33 -0.16 0.00 -0.16 0.00 0.00 57.90 58.02 2ckj n TYR 948 Cb 0.43 -1.40 -0.10 0.00 -0.31 0.00 0.00 39.34 37.96 2ckj n TYR 948 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2ckj s LYS 949 N -0.96 1.05 -0.44 -0.72 -2.85 -1.26 -4.96 119.74 109.60 2ckj s LYS 949 Ca 0.46 -1.37 -0.43 0.00 -1.00 0.00 0.00 55.97 53.64 2ckj s LYS 949 Cb -0.39 -0.73 -0.18 0.00 -2.06 0.00 0.00 37.83 34.48 2ckj s LYS 949 CO 0.58 0.11 1.95 -1.91 0.10 0.00 0.00 175.35 176.17 2ckj n GLU 950 N 0.08 0.35 0.00 1.78 4.07 -1.26 -1.23 120.64 124.43 2ckj n GLU 950 Ca -0.12 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2ckj n GLU 950 Cb 0.59 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2ckj n GLU 950 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ckj n GLY 951 N 5.92 0.77 0.65 8.31 0.00 -0.38 -5.04 105.19 115.42 2ckj n GLY 951 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 2ckj n GLY 951 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ckj n ASP 952 N 0.00 -0.87 -4.01 1.61 8.00 -0.37 -4.57 116.55 116.34 2ckj n ASP 952 Ca 0.00 -0.74 -0.19 0.00 0.71 0.00 0.00 54.79 54.57 2ckj n ASP 952 Cb 0.00 -0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 2ckj n ASP 952 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2ckj s LEU 953 N 0.00 1.93 0.84 0.64 0.05 -1.26 -1.69 118.68 119.18 2ckj s LEU 953 Ca 0.13 -0.17 -0.13 0.00 0.05 0.00 0.00 54.13 54.01 2ckj s LEU 953 Cb -0.01 -0.48 0.06 0.00 -2.05 0.00 0.00 46.19 43.71 2ckj s LEU 953 CO 0.10 0.09 0.90 0.35 -0.55 0.00 0.00 176.35 177.24 2ckj n THR 954 N 3.02 1.27 0.07 5.48 -2.24 -1.18 -4.76 114.28 115.94 2ckj n THR 954 Ca -0.15 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 2ckj n THR 954 Cb 0.56 -0.96 0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2ckj n THR 954 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n HIS 955 N -3.33 0.00 -0.01 4.78 1.44 -1.26 0.35 115.22 117.19 2ckj n HIS 955 Ca 0.11 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.83 2ckj n HIS 955 Cb 0.51 -0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.62 2ckj n HIS 955 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2ckj n PHE 956 N -1.02 0.05 -3.18 -1.40 1.16 -1.26 -4.75 117.46 107.07 2ckj n PHE 956 Ca 0.01 -0.42 -0.15 0.00 -1.87 0.00 0.00 57.45 55.02 2ckj n PHE 956 Cb 0.00 -0.04 0.05 0.00 -1.61 0.00 0.00 39.48 37.89 2ckj n PHE 956 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2ckj n ASN 957 N -0.28 -4.55 -4.71 5.98 3.02 1.10 -4.56 115.26 111.25 2ckj n ASN 957 Ca 0.02 -0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 53.86 2ckj n ASN 957 Cb 0.24 -3.41 -0.09 0.00 -0.61 0.00 0.00 39.78 35.91 2ckj n ASN 957 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 958 N -5.75 3.03 0.12 3.52 0.74 -1.26 -4.77 119.66 115.29 2ckj s GLN 958 Ca 0.34 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 2ckj s GLN 958 Cb -0.15 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.05 2ckj s GLN 958 CO 0.47 0.71 1.14 0.21 -0.55 0.00 0.00 175.29 177.27 2ckj s LYS 959 N -0.97 4.51 -1.14 1.67 2.20 -1.26 -3.13 119.74 121.62 2ckj s LYS 959 Ca 0.14 1.74 -0.20 0.00 -0.36 0.00 0.00 55.97 57.29 2ckj s LYS 959 Cb -0.11 -3.31 0.07 0.00 -1.51 0.00 0.00 37.83 32.97 2ckj s LYS 959 CO 0.03 -0.09 1.54 -0.51 -0.36 0.00 0.00 175.35 175.96 2ckj s LEU 960 N 0.34 3.89 0.30 5.43 1.43 -0.68 -4.99 118.68 124.40 2ckj s LEU 960 Ca 0.54 -2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 51.51 2ckj s LEU 960 Cb -0.29 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.32 2ckj s LEU 960 CO 0.32 -1.27 0.63 -1.61 0.23 0.00 0.00 176.35 174.65 2ckj s GLU 961 N 4.21 3.77 -0.15 1.70 2.02 -1.26 -1.25 118.70 127.74 2ckj s GLU 961 Ca 0.48 0.30 -0.14 0.00 0.02 0.00 0.00 54.97 55.63 2ckj s GLU 961 Cb 0.01 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.71 2ckj s GLU 961 CO -0.02 0.17 0.23 0.41 0.02 0.00 0.00 175.26 176.08 2ckj n GLY 962 N -0.70 0.07 3.32 -1.39 0.00 -1.26 -4.91 105.19 100.32 2ckj n GLY 962 Ca 0.01 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 962 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 963 N -0.60 3.21 -0.14 1.61 5.36 -1.26 -4.97 117.98 121.19 2ckj s PHE 963 Ca 0.13 -1.15 0.19 0.00 -0.96 0.00 0.00 56.93 55.14 2ckj s PHE 963 Cb -0.01 -2.30 -0.16 0.00 -0.34 0.00 0.00 43.02 40.21 2ckj s PHE 963 CO 0.30 -0.65 0.71 0.25 -1.46 0.00 0.00 175.22 174.37 2ckj n THR 964 N 4.87 0.87 -0.30 0.12 -2.24 -1.26 -4.58 114.28 111.76 2ckj n THR 964 Ca -0.13 -0.65 0.04 0.00 -2.27 0.00 0.00 64.05 61.04 2ckj n THR 964 Cb 0.46 -0.48 0.11 0.00 -2.10 0.00 0.00 70.33 68.32 2ckj n THR 964 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 965 N -2.71 -0.33 -0.13 3.22 7.94 -1.26 0.47 117.00 124.21 2ckj n LEU 965 Ca -0.10 1.43 -0.03 0.00 -1.11 0.00 0.00 56.01 56.20 2ckj n LEU 965 Cb 0.77 -0.42 0.18 0.00 0.53 0.00 0.00 43.42 44.47 2ckj n LEU 965 CO 0.43 -1.36 0.94 1.55 -1.11 0.00 0.00 177.39 177.84 2ckj h PRO 966 N 0.00 0.83 -0.60 1.96 0.13 -1.95 0.13 132.00 132.50 2ckj h PRO 966 Ca 0.39 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2ckj h PRO 966 Cb 0.59 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2ckj h PRO 966 CO -0.85 0.77 0.36 -0.09 -0.23 0.00 0.00 178.00 177.96 2ckj h ARG 967 N 0.79 0.81 -0.48 0.86 2.43 -0.29 0.59 114.38 119.08 2ckj h ARG 967 Ca 0.17 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2ckj h ARG 967 Cb 0.35 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2ckj h ARG 967 CO 0.01 0.57 -0.18 0.00 -1.51 0.00 0.00 179.97 178.86 2ckj h TRP 969 N 0.83 -0.04 -0.81 0.00 2.91 -0.05 -1.66 115.95 117.14 2ckj h TRP 969 Ca 0.12 -0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.31 2ckj h TRP 969 Cb 0.73 0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 29.29 2ckj h TRP 969 CO 0.05 -0.02 0.32 1.49 -1.03 0.00 0.00 178.44 179.24 2ckj h GLU 970 N -0.04 0.41 0.00 2.65 4.57 0.21 0.18 114.58 122.56 2ckj h GLU 970 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ckj h GLU 970 Cb 0.03 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2ckj h GLU 970 CO 0.01 0.27 0.00 1.49 -1.18 0.00 0.00 179.01 179.60 2ckj h GLU 971 N 0.42 0.00 0.00 1.92 4.81 -1.40 -3.14 114.58 117.19 2ckj h GLU 971 Ca 0.46 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2ckj h GLU 971 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2ckj h GLU 971 CO -0.46 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 177.82 2ckj n LEU 973 N -4.71 0.30 0.00 0.00 4.32 -1.16 -1.89 117.00 113.86 2ckj n LEU 973 Ca -0.04 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 2ckj n LEU 973 Cb 0.20 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2ckj n LEU 973 CO 0.14 -0.67 0.13 0.00 -1.22 0.00 0.00 177.39 175.77 2ckj n ALA 974 N -1.57 0.00 -0.04 -1.18 0.00 -1.19 -2.63 120.51 113.89 2ckj n ALA 974 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2ckj n ALA 974 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2ckj n ALA 974 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 975 N 0.00 -0.54 -0.55 0.00 4.64 -1.65 -1.88 113.55 113.58 2ckj h SER 975 Ca 0.00 0.11 0.14 0.00 -0.47 0.00 0.00 61.79 61.57 2ckj h SER 975 Cb 0.00 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2ckj h SER 975 CO 0.00 -0.21 0.38 0.77 -0.87 0.00 0.00 176.83 176.91 2ckj h SER 976 N -0.17 0.09 -6.16 4.97 4.64 -1.59 -3.47 113.55 111.86 2ckj h SER 976 Ca 0.12 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.17 2ckj h SER 976 Cb 0.36 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2ckj h SER 976 CO -0.31 0.05 -0.81 0.00 -0.87 0.00 0.00 176.83 174.89 2ckj n GLN 977 N -4.41 -1.76 0.00 4.77 10.64 -0.71 -4.93 117.38 120.98 2ckj n GLN 977 Ca 0.10 1.34 0.00 0.00 -1.83 0.00 0.00 57.00 56.61 2ckj n GLN 977 Cb 0.55 -3.51 0.00 0.00 -0.86 0.00 0.00 30.24 26.42 2ckj n GLN 977 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2ckj n TYR 978 N -1.35 0.00 -1.56 2.61 9.36 -1.21 -3.13 117.16 121.88 2ckj n TYR 978 Ca -0.11 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.74 2ckj n TYR 978 Cb 0.61 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 39.27 2ckj n TYR 978 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2ckj n HIS 979 N -0.58 1.49 0.00 2.98 1.44 -1.26 0.28 115.22 119.57 2ckj n HIS 979 Ca 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 2ckj n HIS 979 Cb 0.00 -2.65 0.00 0.00 0.12 0.00 0.00 29.99 27.46 2ckj n HIS 979 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ckj n ALA 980 N 15.35 2.20 -0.12 1.59 0.00 -1.18 -4.87 120.51 133.48 2ckj n ALA 980 Ca 0.36 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.82 2ckj n ALA 980 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 2ckj n ALA 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ckj n ARG 981 N -1.73 -0.03 -0.06 0.00 1.74 0.01 0.87 116.66 117.46 2ckj n ARG 981 Ca 0.00 0.52 -0.09 0.00 -0.77 0.00 0.00 57.85 57.50 2ckj n ARG 981 Cb 0.00 -0.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 2ckj n ARG 981 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ckj h LYS 982 N 0.00 -0.28 -0.49 5.56 1.63 -0.45 -1.21 116.57 121.32 2ckj h LYS 982 Ca 0.16 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2ckj h LYS 982 Cb 0.24 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 2ckj h LYS 982 CO -0.34 -0.19 -0.55 1.03 -3.45 0.00 0.00 179.45 175.95 2ckj h SER 983 N -0.30 -1.86 -1.21 4.20 0.87 0.21 -0.02 113.55 115.43 2ckj h SER 983 Ca 0.04 0.25 0.35 0.00 -1.23 0.00 0.00 61.79 61.20 2ckj h SER 983 Cb 0.40 0.78 -0.05 0.00 -0.44 0.00 0.00 62.40 63.09 2ckj h SER 983 CO -0.34 -0.38 0.98 -0.08 -0.53 0.00 0.00 176.83 176.48 2ckj h GLU 984 N -0.34 0.00 0.20 2.24 4.81 -1.09 -2.83 114.58 117.57 2ckj h GLU 984 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2ckj h GLU 984 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2ckj h GLU 984 CO -0.64 0.00 -0.10 0.28 -0.73 0.00 0.00 179.01 177.82 2ckj h VAL 985 N 0.00 0.00 -2.75 0.32 2.07 0.14 -3.31 116.25 112.73 2ckj h VAL 985 Ca 0.58 -0.51 -0.57 0.00 0.82 0.00 0.00 66.70 67.01 2ckj h VAL 985 Cb 2.53 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 2ckj h VAL 985 CO -0.01 0.00 1.23 1.51 0.02 0.00 0.00 177.57 180.32 2ckj s ASP 986 N -4.43 6.04 0.00 0.57 -4.77 -1.07 -0.29 116.67 112.72 2ckj s ASP 986 Ca -0.04 1.34 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 2ckj s ASP 986 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 2ckj s ASP 986 CO 0.12 -1.58 0.00 1.17 0.70 0.00 0.00 175.17 175.58 2ckj n LYS 987 N 8.24 0.00 -0.01 2.11 3.00 -1.26 -4.81 118.16 125.42 2ckj n LYS 987 Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.40 2ckj n LYS 987 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.41 2ckj n LYS 987 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2ckj h PHE 988 N 0.00 0.09 -1.00 5.64 3.57 -0.73 -0.95 116.94 123.55 2ckj h PHE 988 Ca 0.00 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.67 2ckj h PHE 988 Cb 0.00 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.61 2ckj h PHE 988 CO 0.00 0.40 0.61 -0.91 -2.23 0.00 0.00 178.31 176.19 2ckj h ASN 989 N -0.25 0.79 0.37 0.41 2.35 -1.55 -0.86 115.58 116.86 2ckj h ASN 989 Ca 0.01 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2ckj h ASN 989 Cb 0.37 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2ckj h ASN 989 CO 0.00 0.29 -0.18 0.50 -1.65 0.00 0.00 177.43 176.40 2ckj h LYS 990 N 0.78 -0.48 0.00 0.81 3.64 -1.77 -3.28 116.57 116.27 2ckj h LYS 990 Ca 0.57 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 2ckj h LYS 990 Cb 0.87 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2ckj h LYS 990 CO -0.37 -0.18 0.00 0.93 -2.27 0.00 0.00 179.45 177.56 2ckj h GLU 991 N -0.78 0.00 -5.98 1.90 5.08 -0.99 -3.45 114.58 110.36 2ckj h GLU 991 Ca -0.05 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.63 2ckj h GLU 991 Cb 0.52 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.54 2ckj h GLU 991 CO 0.08 0.00 -0.74 -0.80 -1.00 0.00 0.00 179.01 176.55 2ckj s ASN 992 N -4.65 4.23 -0.11 1.42 0.01 -0.34 -5.02 114.94 110.48 2ckj s ASN 992 Ca 0.02 -0.18 0.18 0.00 -0.71 0.00 0.00 52.86 52.17 2ckj s ASN 992 Cb 0.09 -1.16 -0.25 0.00 0.41 0.00 0.00 41.25 40.34 2ckj s ASN 992 CO 0.40 0.30 0.33 0.00 -1.51 0.00 0.00 177.10 176.62 2ckj n TRP 994 N -2.70 0.00 -4.17 0.00 5.03 -1.26 -4.95 117.44 109.39 2ckj n TRP 994 Ca -0.22 0.00 -0.18 0.00 3.03 0.00 0.00 57.50 60.14 2ckj n TRP 994 Cb 0.98 0.00 -0.12 0.00 -1.03 0.00 0.00 31.31 31.14 2ckj n TRP 994 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 2ckj s LYS 995 N -0.36 0.81 0.15 -0.99 1.02 -1.26 -1.92 119.74 117.19 2ckj s LYS 995 Ca 0.00 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.97 2ckj s LYS 995 Cb 0.00 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.51 2ckj s LYS 995 CO 0.00 0.17 0.19 0.15 -0.92 0.00 0.00 175.35 174.94 2ckj s LYS 996 N -1.82 1.07 0.14 1.68 -0.14 -1.11 -4.72 119.74 114.84 2ckj s LYS 996 Ca -0.02 -1.30 0.03 0.00 -1.36 0.00 0.00 55.97 53.33 2ckj s LYS 996 Cb -0.09 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 2ckj s LYS 996 CO 0.02 -0.36 -0.07 1.03 -0.76 0.00 0.00 175.35 175.22 2ckj s ARG 997 N -4.01 1.03 0.04 1.68 0.52 -1.26 -1.33 118.95 115.61 2ckj s ARG 997 Ca 0.21 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 2ckj s ARG 997 Cb 0.05 -0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2ckj s ARG 997 CO 0.01 -0.00 0.06 0.20 0.02 0.00 0.00 175.30 175.59 2ckj s GLY 998 N -3.14 0.22 -0.02 -3.53 0.00 0.31 -4.27 107.32 96.88 2ckj s GLY 998 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2ckj s GLY 998 CO 0.00 -0.75 0.00 -2.27 0.00 0.00 0.00 173.10 170.08 2ckj s LEU 999 N -2.09 1.39 0.05 0.66 2.96 -1.26 -1.94 118.68 118.45 2ckj s LEU 999 Ca -0.06 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2ckj s LEU 999 Cb -0.02 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.53 2ckj s LEU 999 CO -0.04 -0.07 0.20 0.00 -1.32 0.00 0.00 176.35 175.12 2ckj s ILE 1001N -2.95 0.18 0.08 0.00 1.10 -1.26 -2.17 121.20 116.19 2ckj s ILE 1001Ca -0.02 -0.08 0.08 0.00 -0.51 0.00 0.00 60.65 60.12 2ckj s ILE 1001Cb 0.01 -0.60 -0.03 0.00 0.15 0.00 0.00 42.46 41.99 2ckj s ILE 1001CO -0.06 -0.04 -0.22 -0.63 -2.11 0.00 0.00 174.94 171.88 2ckj s ILE 1002N 2.03 1.76 0.36 2.00 1.09 -0.64 -4.98 121.20 122.82 2ckj s ILE 1002Ca 0.03 -1.45 0.07 0.00 -1.10 0.00 0.00 60.65 58.20 2ckj s ILE 1002Cb -0.15 -1.57 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 2ckj s ILE 1002CO -0.07 0.05 0.39 -2.16 -0.10 0.00 0.00 174.94 173.06 2ckj s PRO 1003N -1.66 2.82 -0.22 2.79 0.04 -1.26 -1.13 135.00 136.37 2ckj s PRO 1003Ca 0.08 -1.25 -0.27 0.00 0.04 0.00 0.00 61.00 59.60 2ckj s PRO 1003Cb -0.10 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 31.96 2ckj s PRO 1003CO 0.04 -0.00 0.91 -0.08 0.04 0.00 0.00 177.00 177.90 2ckj s THR 1004N -2.30 0.00 -0.01 1.26 -1.32 -0.44 -4.88 115.64 107.95 2ckj s THR 1004Ca 0.45 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 2ckj s THR 1004Cb -0.07 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 2ckj s THR 1004CO 0.29 0.00 0.00 -1.59 -2.21 0.00 0.00 174.62 171.11 2ckj s LYS 1005N -0.21 0.05 -0.05 7.08 -2.85 -1.26 -2.16 119.74 120.34 2ckj s LYS 1005Ca -0.01 0.04 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 2ckj s LYS 1005Cb -0.03 -0.14 0.03 0.00 -2.06 0.00 0.00 37.83 35.63 2ckj s LYS 1005CO -0.01 -0.05 0.04 0.12 0.10 0.00 0.00 175.35 175.55 2ckj s PHE 1006N 0.36 0.24 0.18 1.78 5.36 -0.91 -4.94 117.98 120.06 2ckj s PHE 1006Ca -0.03 0.11 -0.30 0.00 -0.96 0.00 0.00 56.93 55.75 2ckj s PHE 1006Cb -0.05 -0.54 -0.07 0.00 -0.34 0.00 0.00 43.02 42.02 2ckj s PHE 1006CO -0.01 -0.21 1.01 0.20 -1.46 0.00 0.00 175.22 174.74 2ckj s GLY 1007N 1.91 3.00 -0.28 13.12 0.00 -1.26 -1.09 107.32 122.72 2ckj s GLY 1007Ca 0.02 0.68 -0.08 0.00 0.00 0.00 0.00 44.72 45.35 2ckj s GLY 1007CO -0.03 1.44 0.09 -0.42 0.00 0.00 0.00 173.10 174.18 2ckj s ILE 1008N -0.49 4.24 0.00 0.90 1.01 -0.64 -4.91 121.20 121.31 2ckj s ILE 1008Ca 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2ckj s ILE 1008Cb -0.26 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2ckj s ILE 1008CO 0.33 0.19 0.00 -1.20 0.00 0.00 0.00 174.94 174.26 2ckj n SER 1009N 4.92 0.00 -4.77 3.58 7.64 -1.26 -2.25 113.62 121.48 2ckj n SER 1009Ca -0.15 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.33 2ckj n SER 1009Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2ckj n SER 1009CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckj s PHE 1010N -2.00 2.92 -0.06 1.43 0.40 -1.26 -4.94 117.98 114.47 2ckj s PHE 1010Ca 0.00 1.44 -0.24 0.00 -0.60 0.00 0.00 56.93 57.53 2ckj s PHE 1010Cb 0.00 -3.63 -0.25 0.00 0.51 0.00 0.00 43.02 39.65 2ckj s PHE 1010CO 0.00 -1.90 0.97 1.79 0.70 0.00 0.00 175.22 176.78 2ckj h THR 1011N 2.58 1.57 -2.29 0.64 1.35 -1.98 -3.39 112.91 111.38 2ckj h THR 1011Ca -0.49 -2.14 -0.54 0.00 -0.55 0.00 0.00 66.41 62.68 2ckj h THR 1011Cb 1.24 2.94 0.02 0.00 -1.73 0.00 0.00 68.15 70.61 2ckj h THR 1011CO 0.63 0.59 1.23 0.52 -0.25 0.00 0.00 175.52 178.24 2ckj n VAL 1012N -4.42 0.73 -0.14 6.82 0.31 -1.26 -4.85 118.33 115.53 2ckj n VAL 1012Ca -0.11 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 2ckj n VAL 1012Cb 0.58 -2.27 0.02 0.00 -0.91 0.00 0.00 33.84 31.25 2ckj n VAL 1012CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2ckj h PRO 1013N 10.63 0.94 -0.21 5.55 0.13 -1.94 -2.83 132.00 144.27 2ckj h PRO 1013Ca -0.49 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2ckj h PRO 1013Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ckj h PRO 1013CO 0.94 1.07 0.00 1.97 -0.23 0.00 0.00 178.00 181.76 2ckj n PHE 1014N -4.10 0.00 1.05 1.56 1.16 -1.26 -0.81 117.46 115.06 2ckj n PHE 1014Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 2ckj n PHE 1014Cb 0.47 -0.02 0.06 0.00 -1.61 0.00 0.00 39.48 38.38 2ckj n PHE 1014CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2ckj n LEU 1015N -0.05 1.45 -4.24 5.98 4.77 -1.07 -4.67 117.00 119.17 2ckj n LEU 1015Ca 0.00 -0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 55.01 2ckj n LEU 1015Cb 0.05 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ckj n LEU 1015CO 0.00 0.29 1.80 0.59 -1.33 0.00 0.00 177.39 178.74 2ckj n ASN 1016N -0.64 4.99 -3.63 -1.43 3.02 0.01 -4.82 115.26 112.77 2ckj n ASN 1016Ca 0.08 -2.99 -0.15 0.00 -0.03 0.00 0.00 54.58 51.49 2ckj n ASN 1016Cb 0.40 -1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 37.91 2ckj n ASN 1016CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj s GLN 1017N 1.88 0.82 0.00 3.52 -2.07 -1.26 -2.10 119.66 120.46 2ckj s GLN 1017Ca 0.44 0.37 0.00 0.00 -1.82 0.00 0.00 55.36 54.36 2ckj s GLN 1017Cb 0.04 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 2ckj s GLN 1017CO 0.01 -0.20 0.00 0.00 -1.32 0.00 0.00 175.29 173.78 2ckj n ALA 1018N 1.71 0.00 -3.61 2.60 0.00 -1.12 -4.52 120.51 115.58 2ckj n ALA 1018Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 2ckj n ALA 1018Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 2ckj n ALA 1018CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ckj s GLY 1019N -0.80 -0.12 0.26 0.00 0.00 -1.26 -2.06 107.32 103.35 2ckj s GLY 1019Ca 0.00 2.45 -0.00 0.00 0.00 0.00 0.00 44.72 47.17 2ckj s GLY 1019CO 0.00 1.27 0.26 0.00 0.00 0.00 0.00 173.10 174.63 2ckj s ALA 1020N -0.75 1.16 -0.24 3.20 0.00 0.11 -2.06 121.76 123.19 2ckj s ALA 1020Ca 0.02 -1.69 -0.06 0.00 0.00 0.00 0.00 51.96 50.22 2ckj s ALA 1020Cb -0.02 1.35 0.11 0.00 0.00 0.00 0.00 23.12 24.57 2ckj s ALA 1020CO -0.03 -0.67 0.48 -1.17 0.00 0.00 0.00 175.76 174.37 2ckj s LEU 1021N -3.22 -0.82 -0.14 0.00 2.96 -0.27 -1.16 118.68 116.03 2ckj s LEU 1021Ca 0.37 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2ckj s LEU 1021Cb 0.04 1.60 0.01 0.00 0.50 0.00 0.00 46.19 48.34 2ckj s LEU 1021CO 0.17 -0.24 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.54 2ckj s LEU 1022N 2.69 2.04 -0.07 -0.68 2.96 -0.46 -1.07 118.68 124.08 2ckj s LEU 1022Ca 0.01 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2ckj s LEU 1022Cb -0.13 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2ckj s LEU 1022CO -0.15 0.06 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.79 2ckj s HIS 1023N 0.88 2.70 -0.31 5.38 3.76 -1.22 -0.61 115.29 125.87 2ckj s HIS 1023Ca -0.06 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.50 2ckj s HIS 1023Cb -0.15 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 31.91 2ckj s HIS 1023CO -0.03 0.06 0.03 0.08 -0.85 0.00 0.00 174.74 174.04 2ckj s VAL 1024N -0.44 3.23 0.62 -0.90 1.01 -0.18 0.90 120.40 124.64 2ckj s VAL 1024Ca 0.05 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 2ckj s VAL 1024Cb -0.12 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2ckj s VAL 1024CO 0.02 -0.12 1.07 -0.31 0.00 0.00 0.00 175.10 175.76 2ckj s TYR 1025N 1.30 2.90 -1.70 5.22 1.51 -0.25 -4.84 117.35 121.50 2ckj s TYR 1025Ca -0.04 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 2ckj s TYR 1025Cb -0.20 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 2ckj s TYR 1025CO 0.00 -1.28 0.64 0.25 -1.11 0.00 0.00 175.55 174.05 2ckj n THR 1026N -2.27 0.57 0.01 -0.71 -2.24 -1.26 -1.56 114.28 106.82 2ckj n THR 1026Ca 0.09 0.14 0.05 0.00 -2.27 0.00 0.00 64.05 62.07 2ckj n THR 1026Cb 0.53 -1.14 0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2ckj n THR 1026CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ckj n ASP 1027N -1.14 2.61 0.00 3.42 3.85 -1.26 -4.58 116.55 119.46 2ckj n ASP 1027Ca 0.00 -1.84 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 2ckj n ASP 1027Cb 0.00 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 2ckj n ASP 1027CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ckj n GLY 1028N 0.52 2.98 3.77 6.12 0.00 -0.60 -4.98 105.19 112.99 2ckj n GLY 1028Ca 0.10 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2ckj n GLY 1028CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 1029N 0.76 6.74 -0.07 1.61 1.04 -1.26 -4.78 113.70 117.74 2ckj s SER 1029Ca 0.00 2.32 -0.04 0.00 0.48 0.00 0.00 55.95 58.71 2ckj s SER 1029Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2ckj s SER 1029CO 0.00 -0.52 0.10 -0.69 0.98 0.00 0.00 173.24 173.11 2ckj s VAL 1030N -1.37 5.06 -0.61 5.02 1.01 -1.16 -1.08 120.40 127.27 2ckj s VAL 1030Ca 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 2ckj s VAL 1030Cb -0.31 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.00 2ckj s VAL 1030CO 0.39 0.52 0.42 -0.22 0.00 0.00 0.00 175.10 176.21 2ckj s LEU 1031N -1.26 5.26 -0.04 3.92 2.96 0.26 -1.93 118.68 127.85 2ckj s LEU 1031Ca 0.18 -2.77 -0.19 0.00 -0.22 0.00 0.00 54.13 51.13 2ckj s LEU 1031Cb -0.12 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2ckj s LEU 1031CO 0.08 -0.39 0.53 -0.22 -1.32 0.00 0.00 176.35 175.03 2ckj s LEU 1032N 0.06 4.38 0.04 -0.68 0.20 -0.58 -3.39 118.68 118.70 2ckj s LEU 1032Ca 0.16 1.02 0.01 0.00 0.69 0.00 0.00 54.13 56.01 2ckj s LEU 1032Cb -0.20 -2.80 -0.03 0.00 -0.43 0.00 0.00 46.19 42.73 2ckj s LEU 1032CO -0.03 0.10 -0.05 0.28 -0.29 0.00 0.00 176.35 176.36 2ckj s THR 1033N -0.04 0.31 0.28 3.68 -1.32 -0.24 -4.03 115.64 114.28 2ckj s THR 1033Ca 0.28 -1.28 -0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2ckj s THR 1033Cb -0.17 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 2ckj s THR 1033CO 0.14 -0.63 0.42 -1.38 -2.21 0.00 0.00 174.62 170.97 2ckj s HIS 1034N -2.25 0.75 0.44 9.09 -3.43 -1.26 -1.12 115.29 117.51 2ckj s HIS 1034Ca -0.06 -1.05 0.11 0.00 -0.80 0.00 0.00 55.06 53.26 2ckj s HIS 1034Cb -0.04 -0.03 0.98 0.00 -1.43 0.00 0.00 32.58 32.06 2ckj s HIS 1034CO -0.03 -1.00 2.06 0.78 -2.00 0.00 0.00 174.74 174.55 2ckj h GLY 1035N 2.26 0.47 -2.79 -1.38 0.00 -1.76 -3.45 103.07 96.41 2ckj h GLY 1035Ca -0.29 -0.16 -0.47 0.00 0.00 0.00 0.00 47.33 46.41 2ckj h GLY 1035CO 0.40 0.15 -0.41 -0.32 0.00 0.00 0.00 176.54 176.35 2ckj s GLY 1036N -3.78 1.56 0.09 4.60 0.00 -1.26 -4.91 107.32 103.63 2ckj s GLY 1036Ca -0.07 -1.48 0.10 0.00 0.00 0.00 0.00 44.72 43.26 2ckj s GLY 1036CO 0.72 -1.43 -0.25 -0.51 0.00 0.00 0.00 173.10 171.63 2ckj s THR 1037N -2.18 2.08 -0.33 0.90 -4.23 -1.26 -4.92 115.64 105.69 2ckj s THR 1037Ca 0.40 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 2ckj s THR 1037Cb -0.08 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 2ckj s THR 1037CO 0.28 0.15 0.44 -0.70 -0.54 0.00 0.00 174.62 174.26 2ckj s GLU 1038N -1.72 3.66 -0.20 3.99 2.56 -1.26 -4.89 118.70 120.84 2ckj s GLU 1038Ca 0.11 -0.21 0.15 0.00 0.00 0.00 0.00 54.97 55.03 2ckj s GLU 1038Cb -0.10 -3.78 0.76 0.00 2.00 0.00 0.00 34.13 33.01 2ckj s GLU 1038CO 0.04 -0.55 1.68 -1.33 -0.56 0.00 0.00 175.26 174.54 2ckj n MET 1039N 5.56 4.36 -1.30 4.30 2.81 -1.26 -1.94 117.12 129.65 2ckj n MET 1039Ca -0.07 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 52.77 2ckj n MET 1039Cb 0.49 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 2ckj n MET 1039CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ckj n GLY 1040N 0.61 0.75 0.00 3.03 0.00 -1.26 -3.80 105.19 104.52 2ckj n GLY 1040Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ckj n GLY 1040CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLN 1041N -1.23 0.00 -1.00 1.61 0.00 -1.26 -3.25 117.38 112.25 2ckj n GLN 1041Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 57.00 56.97 2ckj n GLN 1041Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 30.24 30.63 2ckj n GLN 1041CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ckj n GLY 1042N 0.00 0.39 0.28 2.61 0.00 -1.26 -4.91 105.19 102.30 2ckj n GLY 1042Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.97 2ckj n GLY 1042CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ckj h LEU 1043N 0.00 0.55 -1.35 0.99 5.85 -1.96 0.15 115.31 119.54 2ckj h LEU 1043Ca -0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2ckj h LEU 1043Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2ckj h LEU 1043CO 0.00 0.33 -0.32 0.45 -0.34 0.00 0.00 178.44 178.56 2ckj h HIS 1044N 0.68 0.00 0.00 1.25 3.86 -1.94 0.35 115.15 119.36 2ckj h HIS 1044Ca 0.35 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.34 2ckj h HIS 1044Cb 0.31 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2ckj h HIS 1044CO -0.09 0.32 -1.15 1.15 0.86 0.00 0.00 177.93 179.03 2ckj h THR 1045N 0.00 1.38 0.02 2.45 2.02 -1.69 0.15 112.91 117.25 2ckj h THR 1045Ca -0.00 -3.09 -0.13 0.00 0.77 0.00 0.00 66.41 63.96 2ckj h THR 1045Cb 0.61 2.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2ckj h THR 1045CO 0.04 0.79 -0.51 0.11 0.37 0.00 0.00 175.52 176.32 2ckj h LYS 1046N 0.00 0.30 -0.92 6.66 1.57 -0.20 -2.35 116.57 121.63 2ckj h LYS 1046Ca -0.08 -0.36 0.15 0.00 -1.87 0.00 0.00 60.65 58.49 2ckj h LYS 1046Cb 1.79 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 34.11 2ckj h LYS 1046CO 0.11 1.07 0.53 0.52 -0.57 0.00 0.00 179.45 181.11 2ckj h MET 1047N -0.31 0.72 0.79 3.15 2.86 -0.19 -1.26 114.93 120.70 2ckj h MET 1047Ca -0.07 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2ckj h MET 1047Cb 1.27 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.77 2ckj h MET 1047CO 0.10 0.48 -0.38 0.28 1.06 0.00 0.00 176.91 178.45 2ckj h VAL 1048N 0.75 0.22 -0.94 -2.22 2.07 -0.72 -3.10 116.25 112.30 2ckj h VAL 1048Ca 0.50 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 68.18 2ckj h VAL 1048Cb 0.68 0.22 -0.16 0.00 -1.52 0.00 0.00 31.29 30.51 2ckj h VAL 1048CO -0.34 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 176.94 2ckj n GLN 1049N -5.55 -0.16 0.33 1.57 6.02 -0.76 -0.47 117.38 118.36 2ckj n GLN 1049Ca -0.15 1.46 -0.19 0.00 -0.01 0.00 0.00 57.00 58.11 2ckj n GLN 1049Cb 0.43 -2.17 -0.10 0.00 1.02 0.00 0.00 30.24 29.42 2ckj n GLN 1049CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2ckj h VAL 1050N 0.00 0.00 -0.15 5.09 2.07 -1.30 -1.73 116.25 120.24 2ckj h VAL 1050Ca 0.38 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.94 2ckj h VAL 1050Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2ckj h VAL 1050CO -0.95 0.00 0.14 0.00 0.02 0.00 0.00 177.57 176.78 2ckj h ALA 1051N -0.95 1.88 -0.25 1.67 0.00 -1.27 0.35 119.26 120.69 2ckj h ALA 1051Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ckj h ALA 1051Cb 0.91 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2ckj h ALA 1051CO -0.03 -0.22 -0.07 1.03 0.00 0.00 0.00 179.25 179.97 2ckj h SER 1052N 0.00 0.49 -0.01 0.00 0.87 -0.32 -2.84 113.55 111.73 2ckj h SER 1052Ca 0.07 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2ckj h SER 1052Cb 0.35 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2ckj h SER 1052CO -0.00 0.74 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.95 2ckj h ARG 1053N 0.22 0.02 0.00 2.24 2.43 -0.25 -1.44 114.38 117.60 2ckj h ARG 1053Ca 0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2ckj h ARG 1053Cb 0.53 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2ckj h ARG 1053CO 0.03 0.34 -0.09 0.00 -1.51 0.00 0.00 179.97 178.74 2ckj h ALA 1054N 0.68 1.31 0.00 2.80 0.00 -0.37 -1.99 119.26 121.69 2ckj h ALA 1054Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ckj h ALA 1054Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ckj h ALA 1054CO 0.00 0.11 -1.85 1.28 0.00 0.00 0.00 179.25 178.79 2ckj n LEU 1055N -3.65 0.18 -1.31 0.00 4.32 -1.08 -4.97 117.00 110.49 2ckj n LEU 1055Ca -0.02 0.07 -0.07 0.00 -0.02 0.00 0.00 56.01 55.97 2ckj n LEU 1055Cb 0.20 0.05 0.02 0.00 -1.62 0.00 0.00 43.42 42.07 2ckj n LEU 1055CO 0.29 0.03 0.05 0.29 -1.22 0.00 0.00 177.39 176.82 2ckj n LYS 1056N -2.41 -2.08 -4.25 3.23 5.02 -0.56 -5.06 118.16 112.05 2ckj n LYS 1056Ca -0.07 0.27 -0.19 0.00 -2.02 0.00 0.00 58.31 56.30 2ckj n LYS 1056Cb 0.64 -3.66 -0.11 0.00 -0.02 0.00 0.00 35.03 31.88 2ckj n LYS 1056CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ckj s ILE 1057N -2.95 1.40 0.36 -0.18 -4.36 -1.10 -5.06 121.20 109.31 2ckj s ILE 1057Ca 0.15 -1.74 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 2ckj s ILE 1057Cb -0.06 -1.57 -0.10 0.00 1.25 0.00 0.00 42.46 41.98 2ckj s ILE 1057CO 0.18 -0.39 1.33 -2.84 0.24 0.00 0.00 174.94 173.46 2ckj s PRO 1058N -2.66 4.19 0.27 0.37 0.02 -1.26 -4.60 135.00 131.33 2ckj s PRO 1058Ca 0.10 2.25 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 2ckj s PRO 1058Cb -0.05 -2.95 0.50 0.00 0.02 0.00 0.00 34.50 32.02 2ckj s PRO 1058CO 0.03 -0.34 1.58 0.00 -0.33 0.00 0.00 177.00 177.95 2ckj h THR 1059N 2.84 0.10 -1.54 0.99 1.03 -1.89 -1.58 112.91 112.85 2ckj h THR 1059Ca -0.49 -0.01 0.45 0.00 -0.01 0.00 0.00 66.41 66.35 2ckj h THR 1059Cb 1.23 0.08 -0.06 0.00 -1.07 0.00 0.00 68.15 68.33 2ckj h THR 1059CO 0.64 0.00 1.17 0.77 -0.01 0.00 0.00 175.52 178.10 2ckj h SER 1060N 0.01 0.00 0.54 0.00 4.64 -1.98 -1.94 113.55 114.83 2ckj h SER 1060Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2ckj h SER 1060Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2ckj h SER 1060CO -0.91 0.00 -0.85 0.29 -0.87 0.00 0.00 176.83 174.49 2ckj n LYS 1061N -3.93 0.25 -3.92 4.77 5.02 -0.59 -4.87 118.16 114.89 2ckj n LYS 1061Ca 0.34 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.30 2ckj n LYS 1061Cb 1.65 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 34.96 2ckj n LYS 1061CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ckj s ILE 1062N -3.16 4.88 -0.02 -0.18 1.01 -0.73 -2.98 121.20 120.02 2ckj s ILE 1062Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2ckj s ILE 1062Cb 0.15 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2ckj s ILE 1062CO 0.77 0.43 -0.25 -0.47 0.00 0.00 0.00 174.94 175.42 2ckj s TYR 1063N 0.56 2.26 -0.07 3.97 5.04 -0.81 -5.00 117.35 123.29 2ckj s TYR 1063Ca 0.04 -0.45 0.04 0.00 -2.44 0.00 0.00 57.07 54.27 2ckj s TYR 1063Cb -0.13 -1.46 -0.01 0.00 0.35 0.00 0.00 41.96 40.71 2ckj s TYR 1063CO 0.01 -0.05 -0.20 0.42 -1.34 0.00 0.00 175.55 174.39 2ckj s ILE 1064N -0.56 2.52 -0.13 3.14 1.01 -1.26 -1.53 121.20 124.39 2ckj s ILE 1064Ca 0.09 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2ckj s ILE 1064Cb -0.10 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 40.28 2ckj s ILE 1064CO -0.01 0.56 -0.03 -0.24 0.00 0.00 0.00 174.94 175.22 2ckj n SER 1065N 2.94 2.47 -3.61 3.58 2.88 -1.26 -5.03 113.62 115.60 2ckj n SER 1065Ca -0.18 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.33 2ckj n SER 1065Cb 0.52 0.34 0.01 0.00 -0.75 0.00 0.00 64.21 64.33 2ckj n SER 1065CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2ckj s GLU 1066N -2.28 0.82 -0.07 -1.46 -1.05 -1.26 -4.95 118.70 108.44 2ckj s GLU 1066Ca -0.12 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.24 2ckj s GLU 1066Cb 0.04 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2ckj s GLU 1066CO 0.41 -0.38 -0.20 0.99 0.95 0.00 0.00 175.26 177.04 2ckj s THR 1067N -2.39 2.54 0.17 1.83 2.01 -0.17 -4.81 115.64 114.83 2ckj s THR 1067Ca 0.20 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 2ckj s THR 1067Cb 0.00 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.58 2ckj s THR 1067CO 0.01 0.57 0.57 -0.55 -0.69 0.00 0.00 174.62 174.52 2ckj s SER 1068N -0.19 -0.44 -0.44 3.53 0.15 -1.26 -2.90 113.70 112.16 2ckj s SER 1068Ca -0.02 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.46 2ckj s SER 1068Cb -0.13 0.59 0.43 0.00 -1.71 0.00 0.00 66.02 65.19 2ckj s SER 1068CO 0.03 -1.00 1.88 0.35 1.20 0.00 0.00 173.24 175.70 2ckj n THR 1069N -0.36 3.00 -1.77 6.45 -2.24 -1.22 -2.79 114.28 115.36 2ckj n THR 1069Ca -0.14 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 2ckj n THR 1069Cb 0.64 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2ckj n THR 1069CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ckj n ASN 1070N -0.56 0.00 -0.06 3.42 2.04 -1.26 -4.79 115.26 114.05 2ckj n ASN 1070Ca 0.48 -1.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.49 2ckj n ASN 1070Cb 0.99 -0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 38.10 2ckj n ASN 1070CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2ckj n THR 1071N 0.00 1.55 -3.21 5.53 -2.24 -1.13 -4.96 114.28 109.82 2ckj n THR 1071Ca 0.00 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 2ckj n THR 1071Cb 0.50 -1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 2ckj n THR 1071CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ckj s VAL 1072N -2.54 -0.87 0.52 2.28 0.11 -1.12 -4.83 120.40 113.96 2ckj s VAL 1072Ca -0.15 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2ckj s VAL 1072Cb 0.07 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2ckj s VAL 1072CO 0.78 -0.10 0.78 -2.16 -3.33 0.00 0.00 175.10 171.08 2ckj s PRO 1073N 2.73 2.92 -0.19 1.54 0.04 -1.26 -4.54 135.00 136.23 2ckj s PRO 1073Ca 0.11 -0.33 -0.01 0.00 0.04 0.00 0.00 61.00 60.81 2ckj s PRO 1073Cb -0.11 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2ckj s PRO 1073CO -0.27 -0.52 0.17 0.09 0.04 0.00 0.00 177.00 176.51 2ckj n ASN 1074N -2.33 -2.51 -4.85 6.66 3.02 -1.26 -5.00 115.26 108.99 2ckj n ASN 1074Ca 0.04 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 2ckj n ASN 1074Cb 0.58 -1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 2ckj n ASN 1074CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ckj s THR 1075N -3.05 5.15 0.61 3.41 -4.23 -1.26 -5.04 115.64 111.23 2ckj s THR 1075Ca 0.07 0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 61.09 2ckj s THR 1075Cb -0.03 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 2ckj s THR 1075CO 0.11 0.58 1.10 -0.44 -0.54 0.00 0.00 174.62 175.43 2ckj s SER 1076N -1.08 5.43 0.63 3.99 0.01 -1.26 -4.37 113.70 117.05 2ckj s SER 1076Ca 0.22 1.99 -0.17 0.00 1.31 0.00 0.00 55.95 59.29 2ckj s SER 1076Cb -0.15 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 2ckj s SER 1076CO 0.11 -1.41 0.36 -2.65 0.41 0.00 0.00 173.24 170.06 2ckj n PRO 1077N -2.06 0.33 -2.90 12.44 -0.02 -1.26 -4.77 135.00 136.76 2ckj n PRO 1077Ca 0.10 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 2ckj n PRO 1077Cb 0.52 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 2ckj n PRO 1077CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ckj s THR 1078N -1.84 4.55 0.00 3.45 2.01 0.88 -4.71 115.64 119.98 2ckj s THR 1078Ca 0.64 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.59 2ckj s THR 1078Cb -0.41 -4.74 0.00 0.00 0.01 0.00 0.00 72.50 67.36 2ckj s THR 1078CO 0.59 -1.48 0.00 0.00 -0.69 0.00 0.00 174.62 173.04 2ckj n ALA 1079N 7.06 0.00 -1.08 7.40 0.00 -1.26 -4.87 120.51 127.75 2ckj n ALA 1079Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 2ckj n ALA 1079Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2ckj n ALA 1079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n ALA 1080N -3.00 6.40 0.00 0.00 0.00 -1.26 -4.30 120.51 118.34 2ckj n ALA 1080Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2ckj n ALA 1080Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 2ckj n ALA 1080CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ckj n SER 1081N 2.22 0.00 0.15 0.00 7.64 -1.26 -4.54 113.62 117.83 2ckj n SER 1081Ca 0.44 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.44 2ckj n SER 1081Cb 0.86 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.13 2ckj n SER 1081CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2ckj h VAL 1082N 0.00 0.00 -0.19 0.44 -1.51 -1.99 -3.30 116.25 109.70 2ckj h VAL 1082Ca 0.00 -0.98 0.08 0.00 -1.23 0.00 0.00 66.70 64.56 2ckj h VAL 1082Cb 0.00 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 2ckj h VAL 1082CO 0.00 0.00 0.11 -1.54 -1.23 0.00 0.00 177.57 174.91 2ckj n SER 1083N -2.84 0.05 0.08 4.19 3.41 -1.26 -0.91 113.62 116.34 2ckj n SER 1083Ca 0.02 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.86 2ckj n SER 1083Cb 0.54 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2ckj n SER 1083CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj h ALA 1084N 0.32 -0.49 -0.60 7.33 0.00 -1.96 -3.20 119.26 120.66 2ckj h ALA 1084Ca 0.15 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2ckj h ALA 1084Cb 0.42 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 2ckj h ALA 1084CO -0.11 -0.47 -0.31 -0.44 0.00 0.00 0.00 179.25 177.91 2ckj h ASP 1085N -0.45 -1.09 -0.28 0.00 3.32 -1.56 0.44 116.42 116.81 2ckj h ASP 1085Ca -0.02 0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2ckj h ASP 1085Cb 0.17 0.55 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2ckj h ASP 1085CO 0.04 -0.29 0.00 -0.07 -1.72 0.00 0.00 179.24 177.20 2ckj h LEU 1086N -0.14 0.56 0.00 1.55 3.38 -1.20 -2.31 115.31 117.15 2ckj h LEU 1086Ca 0.24 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 2ckj h LEU 1086Cb 0.54 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2ckj h LEU 1086CO -0.68 0.63 -1.28 0.78 0.09 0.00 0.00 178.44 177.98 2ckj h ASN 1087N 0.57 0.00 -1.01 -0.43 2.35 -1.50 -2.64 115.58 112.91 2ckj h ASN 1087Ca 0.12 0.00 0.38 0.00 -0.55 0.00 0.00 56.30 56.25 2ckj h ASN 1087Cb 0.36 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.56 2ckj h ASN 1087CO 0.01 0.85 0.56 1.23 -1.65 0.00 0.00 177.43 178.43 2ckj h GLY 1088N 3.40 2.16 0.53 2.83 0.00 -0.02 0.11 103.07 112.08 2ckj h GLY 1088Ca -0.14 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 2ckj h GLY 1088CO 0.09 -0.66 -0.80 -1.61 0.00 0.00 0.00 176.54 173.55 2ckj h GLN 1089N 0.14 0.23 -0.49 4.80 5.75 -1.05 -2.47 115.11 122.02 2ckj h GLN 1089Ca 0.80 -0.40 0.03 0.00 -0.15 0.00 0.00 58.65 58.93 2ckj h GLN 1089Cb 2.02 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 30.68 2ckj h GLN 1089CO -0.69 1.19 0.28 0.00 -2.65 0.00 0.00 178.83 176.96 2ckj h ALA 1090N 0.03 0.63 -0.61 3.38 0.00 -1.30 0.15 119.26 121.53 2ckj h ALA 1090Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2ckj h ALA 1090Cb 1.55 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 2ckj h ALA 1090CO 0.10 -0.04 0.26 0.28 0.00 0.00 0.00 179.25 179.85 2ckj h VAL 1091N 0.55 0.82 0.25 0.00 2.07 -1.06 -2.77 116.25 116.11 2ckj h VAL 1091Ca 0.21 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2ckj h VAL 1091Cb 0.06 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2ckj h VAL 1091CO -0.11 0.09 -0.37 0.22 0.02 0.00 0.00 177.57 177.41 2ckj h TYR 1092N 0.47 -1.03 -0.74 1.57 3.20 -0.29 -1.22 116.97 118.94 2ckj h TYR 1092Ca 0.30 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.35 2ckj h TYR 1092Cb 0.33 0.42 -0.11 0.00 1.54 0.00 0.00 36.73 38.91 2ckj h TYR 1092CO -0.14 -0.50 0.19 0.00 -1.64 0.00 0.00 178.16 176.07 2ckj h ALA 1093N -0.20 0.96 -0.43 1.82 0.00 -0.90 0.44 119.26 120.95 2ckj h ALA 1093Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2ckj h ALA 1093Cb 0.66 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ckj h ALA 1093CO -0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 179.25 178.57 2ckj h ALA 1094N 1.61 0.60 -0.17 0.00 0.00 -1.27 -1.51 119.26 118.53 2ckj h ALA 1094Ca 0.42 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2ckj h ALA 1094Cb 0.71 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2ckj h ALA 1094CO -0.50 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.07 2ckj h GLN 1096N -0.30 0.96 0.00 0.00 1.08 -0.17 -0.66 115.11 116.02 2ckj h GLN 1096Ca 0.11 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2ckj h GLN 1096Cb 0.47 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2ckj h GLN 1096CO -0.34 0.63 -0.32 1.15 -0.95 0.00 0.00 178.83 179.01 2ckj h THR 1097N 0.99 0.78 -0.10 -0.54 2.02 -0.60 -1.97 112.91 113.48 2ckj h THR 1097Ca 0.35 -1.34 -0.18 0.00 0.77 0.00 0.00 66.41 66.01 2ckj h THR 1097Cb 0.14 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2ckj h THR 1097CO -0.12 0.31 -0.66 0.40 0.37 0.00 0.00 175.52 175.82 2ckj h ILE 1098N 0.00 1.33 0.00 3.11 2.04 -0.61 -3.23 117.51 120.16 2ckj h ILE 1098Ca -0.00 -1.94 -0.05 0.00 1.00 0.00 0.00 64.86 63.86 2ckj h ILE 1098Cb 0.82 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2ckj h ILE 1098CO 0.04 0.60 -0.25 -0.07 0.00 0.00 0.00 178.15 178.47 2ckj h LEU 1099N 0.26 0.00 -1.35 1.44 3.38 -1.06 0.42 115.31 118.40 2ckj h LEU 1099Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2ckj h LEU 1099Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2ckj h LEU 1099CO 0.13 0.25 -0.31 0.50 0.09 0.00 0.00 178.44 179.10 2ckj h LYS 1100N 0.00 0.00 0.08 1.13 1.63 -1.44 -2.39 116.57 115.57 2ckj h LYS 1100Ca -0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 2ckj h LYS 1100Cb 0.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2ckj h LYS 1100CO 0.03 0.31 -1.14 0.00 -3.45 0.00 0.00 179.45 175.21 2ckj h ARG 1101N 0.00 0.20 0.17 1.90 3.08 -0.94 -3.26 114.38 115.53 2ckj h ARG 1101Ca -0.00 -0.33 -0.30 0.00 0.07 0.00 0.00 59.98 59.42 2ckj h ARG 1101Cb 0.61 0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.80 2ckj h ARG 1101CO 0.04 1.14 -1.34 -0.07 -1.07 0.00 0.00 179.97 178.67 2ckj h LEU 1102N 0.07 0.55 -0.17 3.04 3.38 -1.47 -3.40 115.31 117.31 2ckj h LEU 1102Ca -0.09 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.29 2ckj h LEU 1102Cb 1.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2ckj h LEU 1102CO 0.18 1.48 -0.10 -0.62 0.09 0.00 0.00 178.44 179.47 2ckj n GLU 1103N -3.58 -0.07 -0.35 1.13 -0.58 -0.90 0.39 120.64 116.67 2ckj n GLU 1103Ca -0.12 0.29 0.26 0.00 -0.42 0.00 0.00 57.16 57.17 2ckj n GLU 1103Cb 1.05 -0.43 0.53 0.00 -0.57 0.00 0.00 31.44 32.02 2ckj n GLU 1103CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2ckj h PRO 1104N 0.00 0.31 0.00 3.49 0.11 -1.80 0.34 132.00 134.45 2ckj h PRO 1104Ca 0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 2ckj h PRO 1104Cb 0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2ckj h PRO 1104CO -0.16 0.21 -1.07 1.88 -0.21 0.00 0.00 178.00 178.65 2ckj h TYR 1105N 0.32 0.00 0.17 0.65 -1.99 -0.39 -2.42 116.97 113.31 2ckj h TYR 1105Ca 0.67 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.39 2ckj h TYR 1105Cb 1.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.50 2ckj h TYR 1105CO -0.00 0.23 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.09 2ckj h LYS 1106N 0.00 -0.21 -0.80 4.88 3.64 -0.22 -3.09 116.57 120.76 2ckj h LYS 1106Ca -0.06 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2ckj h LYS 1106Cb 1.23 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 2ckj h LYS 1106CO 0.02 0.20 -0.47 1.17 -2.27 0.00 0.00 179.45 178.10 2ckj n LYS 1107N -4.92 -0.35 0.05 1.90 3.00 0.58 -0.75 118.16 117.66 2ckj n LYS 1107Ca -0.07 1.35 0.05 0.00 -0.00 0.00 0.00 58.31 59.63 2ckj n LYS 1107Cb 0.26 -1.99 0.24 0.00 0.00 0.00 0.00 35.03 33.54 2ckj n LYS 1107CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ckj n LYS 1108N -4.85 0.05 -2.91 1.64 5.02 -0.92 -3.56 118.16 112.63 2ckj n LYS 1108Ca 0.02 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2ckj n LYS 1108Cb 0.21 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.61 2ckj n LYS 1108CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ckj n ASN 1109N -1.76 -1.18 0.00 4.39 5.15 0.07 -5.01 115.26 116.93 2ckj n ASN 1109Ca 0.00 -3.38 0.06 0.00 -0.60 0.00 0.00 54.58 50.67 2ckj n ASN 1109Cb 0.05 0.91 0.36 0.00 -0.53 0.00 0.00 39.78 40.58 2ckj n ASN 1109CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ckj n PRO 1110N 0.52 0.80 -0.44 1.20 -0.04 -0.81 -1.33 135.00 134.88 2ckj n PRO 1110Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2ckj n PRO 1110Cb 0.67 -1.24 0.19 0.00 -0.04 0.00 0.00 33.50 33.08 2ckj n PRO 1110CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ckj n SER 1111N -0.74 2.00 -5.00 3.54 3.41 -1.26 -5.05 113.62 110.53 2ckj n SER 1111Ca 0.09 -3.63 -0.20 0.00 -0.26 0.00 0.00 58.87 54.87 2ckj n SER 1111Cb 0.04 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.52 2ckj n SER 1111CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ckj s GLY 1112N -3.06 1.91 0.82 5.00 0.00 -0.44 -5.10 107.32 106.44 2ckj s GLY 1112Ca 0.37 -1.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.09 2ckj s GLY 1112CO -0.03 -1.68 1.10 -1.35 0.00 0.00 0.00 173.10 171.15 2ckj s SER 1113N -4.49 4.04 0.38 1.64 1.04 -1.26 -4.91 113.70 110.14 2ckj s SER 1113Ca 0.55 1.89 0.09 0.00 0.48 0.00 0.00 55.95 58.96 2ckj s SER 1113Cb -0.06 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.30 2ckj s SER 1113CO 0.34 -2.34 1.90 -0.25 0.98 0.00 0.00 173.24 173.87 2ckj h TRP 1114N -1.34 0.28 -0.53 5.02 2.91 -2.00 -2.13 115.95 118.16 2ckj h TRP 1114Ca -0.44 -0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.48 2ckj h TRP 1114Cb 1.24 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 2ckj h TRP 1114CO 0.55 0.40 0.04 0.93 -1.03 0.00 0.00 178.44 179.33 2ckj h GLU 1115N 0.25 0.86 0.07 2.65 3.07 -1.93 -2.76 114.58 116.79 2ckj h GLU 1115Ca 0.05 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 2ckj h GLU 1115Cb 0.39 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2ckj h GLU 1115CO 0.02 0.83 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.93 2ckj h ASP 1116N 0.81 -0.28 0.26 1.42 5.19 -1.77 -1.18 116.42 120.87 2ckj h ASP 1116Ca 0.16 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2ckj h ASP 1116Cb 0.43 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 2ckj h ASP 1116CO 0.02 -0.15 -0.07 -0.50 -3.12 0.00 0.00 179.24 175.41 2ckj h TRP 1117N -0.21 0.00 0.00 4.55 6.55 -1.23 -2.58 115.95 123.02 2ckj h TRP 1117Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2ckj h TRP 1117Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2ckj h TRP 1117CO -0.13 0.07 -0.08 0.28 -1.05 0.00 0.00 178.44 177.52 2ckj h VAL 1118N 0.00 0.00 -1.35 1.49 2.07 -1.22 -2.28 116.25 114.96 2ckj h VAL 1118Ca -0.00 -0.77 0.43 0.00 0.82 0.00 0.00 66.70 67.18 2ckj h VAL 1118Cb 0.22 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.87 2ckj h VAL 1118CO 0.01 0.00 0.88 0.74 0.02 0.00 0.00 177.57 179.22 2ckj h THR 1119N -0.77 0.15 0.88 2.57 2.02 -1.29 -0.59 112.91 115.88 2ckj h THR 1119Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2ckj h THR 1119Cb 0.08 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2ckj h THR 1119CO 0.00 0.02 -0.42 0.00 0.37 0.00 0.00 175.52 175.48 2ckj h ALA 1120N 1.55 -1.27 -0.87 6.16 0.00 -1.52 -1.04 119.26 122.26 2ckj h ALA 1120Ca 0.81 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2ckj h ALA 1120Cb 2.59 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 20.78 2ckj h ALA 1120CO -0.37 -1.18 0.55 0.00 0.00 0.00 0.00 179.25 178.25 2ckj h ALA 1121N -1.41 1.20 -0.01 0.00 0.00 -0.75 -2.72 119.26 115.56 2ckj h ALA 1121Ca -0.12 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ckj h ALA 1121Cb 0.91 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2ckj h ALA 1121CO 0.20 0.30 -0.42 -0.92 0.00 0.00 0.00 179.25 178.42 2ckj h TYR 1122N 1.00 -1.22 0.00 0.00 3.20 -0.95 0.49 116.97 119.49 2ckj h TYR 1122Ca 0.38 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2ckj h TYR 1122Cb 0.16 0.53 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2ckj h TYR 1122CO -0.03 -0.44 0.00 0.52 -1.64 0.00 0.00 178.16 176.57 2ckj h MET 1123N -0.51 0.00 0.00 1.82 0.00 -1.00 0.25 114.93 115.49 2ckj h MET 1123Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.71 2ckj h MET 1123Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.15 2ckj h MET 1123CO -0.28 0.00 -1.11 -3.47 0.00 0.00 0.00 176.91 172.04 2ckj n ASP 1124N -2.52 0.64 0.00 1.22 2.03 -0.93 -5.02 116.55 111.97 2ckj n ASP 1124Ca -0.01 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2ckj n ASP 1124Cb 0.11 0.75 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 2ckj n ASP 1124CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ckj n THR 1125N -2.33 0.00 -4.26 5.18 -1.04 0.17 -5.07 114.28 106.92 2ckj n THR 1125Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2ckj n THR 1125Cb 0.51 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.93 2ckj n THR 1125CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ckj s VAL 1126N -1.36 3.45 0.19 12.58 1.01 -0.92 -5.04 120.40 130.31 2ckj s VAL 1126Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 2ckj s VAL 1126Cb 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 2ckj s VAL 1126CO 0.00 -0.20 1.18 -0.55 0.00 0.00 0.00 175.10 175.53 2ckj s SER 1127N -3.15 7.12 -0.25 3.32 0.15 -1.26 -4.71 113.70 114.93 2ckj s SER 1127Ca 0.28 2.21 0.13 0.00 0.70 0.00 0.00 55.95 59.27 2ckj s SER 1127Cb -0.08 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.18 2ckj s SER 1127CO 0.18 -0.34 1.51 0.18 1.20 0.00 0.00 173.24 175.97 2ckj n LEU 1128N 2.42 4.37 -3.87 3.45 4.77 -1.26 -4.95 117.00 121.93 2ckj n LEU 1128Ca 0.04 -3.33 -0.17 0.00 -0.03 0.00 0.00 56.01 52.52 2ckj n LEU 1128Cb 0.45 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 2ckj n LEU 1128CO 0.55 0.91 -0.39 -0.55 -1.33 0.00 0.00 177.39 176.58 2ckj s SER 1129N -2.01 0.56 -0.04 -1.43 0.15 -1.26 -1.01 113.70 108.65 2ckj s SER 1129Ca 0.45 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 2ckj s SER 1129Cb 0.38 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 2ckj s SER 1129CO 0.06 -0.05 0.55 0.00 1.20 0.00 0.00 173.24 175.01 2ckj s ALA 1130N 0.68 -1.42 0.86 5.45 0.00 0.22 -5.01 121.76 122.54 2ckj s ALA 1130Ca -0.07 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2ckj s ALA 1130Cb -0.11 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.12 2ckj s ALA 1130CO -0.01 -0.33 1.22 0.95 0.00 0.00 0.00 175.76 177.59 2ckj s THR 1131N -1.18 2.00 -0.29 0.00 -4.23 -1.26 -1.36 115.64 109.32 2ckj s THR 1131Ca -0.11 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 2ckj s THR 1131Cb -0.02 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.99 2ckj s THR 1131CO 0.08 0.00 1.18 -0.83 -0.54 0.00 0.00 174.62 174.51 2ckj s GLY 1132N -4.65 0.15 0.35 3.99 0.00 -0.31 -4.22 107.32 102.64 2ckj s GLY 1132Ca 0.66 3.21 0.03 0.00 0.00 0.00 0.00 44.72 48.61 2ckj s GLY 1132CO 0.50 2.15 0.10 -0.12 0.00 0.00 0.00 173.10 175.73 2ckj s PHE 1133N 0.50 1.82 -0.28 1.90 5.99 -1.26 0.09 117.98 126.74 2ckj s PHE 1133Ca 0.01 -1.14 -0.25 0.00 0.00 0.00 0.00 56.93 55.54 2ckj s PHE 1133Cb -0.04 -1.17 0.15 0.00 0.00 0.00 0.00 43.02 41.95 2ckj s PHE 1133CO -0.11 -0.18 1.16 -0.47 -0.00 0.00 0.00 175.22 175.62 2ckj s TYR 1134N -3.33 -0.33 0.01 10.12 5.04 -0.87 -4.33 117.35 123.66 2ckj s TYR 1134Ca 0.31 0.78 0.06 0.00 -2.44 0.00 0.00 57.07 55.78 2ckj s TYR 1134Cb 0.06 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.76 2ckj s TYR 1134CO 0.15 -0.17 -0.18 -0.98 -1.34 0.00 0.00 175.55 173.03 2ckj s ARG 1135N 0.04 1.35 -0.08 4.97 1.70 -1.26 -2.79 118.95 122.87 2ckj s ARG 1135Ca 0.04 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.36 2ckj s ARG 1135Cb -0.05 -1.35 -0.04 0.00 -0.57 0.00 0.00 34.95 32.95 2ckj s ARG 1135CO -0.09 0.36 0.67 0.99 -1.08 0.00 0.00 175.30 176.15 2ckj s THR 1136N -0.56 5.06 0.20 4.99 2.01 -0.89 -5.01 115.64 121.44 2ckj s THR 1136Ca 0.06 1.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2ckj s THR 1136Cb -0.07 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 2ckj s THR 1136CO 0.00 0.25 0.57 -2.16 -0.69 0.00 0.00 174.62 172.60 2ckj s PRO 1137N 0.85 3.91 0.00 4.92 0.04 -1.26 -4.56 135.00 138.90 2ckj s PRO 1137Ca 0.36 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2ckj s PRO 1137Cb -0.17 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2ckj s PRO 1137CO 0.17 0.37 0.00 0.09 0.04 0.00 0.00 177.00 177.67 2ckj n ASN 1138N 0.26 -1.84 -4.61 6.66 3.02 -1.26 -5.06 115.26 112.45 2ckj n ASN 1138Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2ckj n ASN 1138Cb 0.52 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 2ckj n ASN 1138CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ckj s LEU 1139N -0.88 3.15 0.00 3.41 1.02 -1.26 -4.82 118.68 119.30 2ckj s LEU 1139Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.81 2ckj s LEU 1139Cb 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.28 2ckj s LEU 1139CO 0.00 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.15 2ckj n GLY 1140N 0.65 1.54 3.72 -3.19 0.00 0.22 -4.89 105.19 103.23 2ckj n GLY 1140Ca -0.13 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2ckj n GLY 1140CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 1141N 0.00 3.42 -0.07 1.61 5.04 -1.24 -1.95 117.35 124.16 2ckj s TYR 1141Ca 0.00 0.48 -0.05 0.00 -2.44 0.00 0.00 57.07 55.07 2ckj s TYR 1141Cb 0.00 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 2ckj s TYR 1141CO 0.00 0.22 0.13 0.45 -1.34 0.00 0.00 175.55 175.01 2ckj s SER 1142N 0.54 6.18 0.32 4.32 0.15 -0.63 -4.93 113.70 119.65 2ckj s SER 1142Ca 0.13 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.32 2ckj s SER 1142Cb -0.13 -1.94 0.31 0.00 -1.71 0.00 0.00 66.02 62.56 2ckj s SER 1142CO 0.02 0.35 1.56 -0.26 1.20 0.00 0.00 173.24 176.11 2ckj h PHE 1143N 4.58 0.00 -2.22 3.44 -1.00 -1.99 -2.93 116.94 116.82 2ckj h PHE 1143Ca -0.52 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.67 2ckj h PHE 1143Cb 1.21 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 40.35 2ckj h PHE 1143CO 0.71 0.44 -0.64 -0.85 -1.61 0.00 0.00 178.31 176.36 2ckj n GLU 1144N -3.31 2.77 0.00 1.51 0.00 -1.26 -3.91 120.64 116.43 2ckj n GLU 1144Ca 0.01 -4.70 0.00 0.00 0.00 0.00 0.00 57.16 52.47 2ckj n GLU 1144Cb 0.65 -2.21 0.00 0.00 0.00 0.00 0.00 31.44 29.87 2ckj n GLU 1144CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ckj n THR 1145N 0.37 0.00 -3.77 3.84 5.66 -1.26 -5.04 114.28 114.09 2ckj n THR 1145Ca 0.30 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.11 2ckj n THR 1145Cb 0.41 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.19 2ckj n THR 1145CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ckj n ASN 1146N 0.00 -1.32 -3.78 1.09 2.85 -1.11 -4.88 115.26 108.11 2ckj n ASN 1146Ca 0.00 -0.56 -0.14 0.00 -0.11 0.00 0.00 54.58 53.76 2ckj n ASN 1146Cb 0.00 -0.68 -0.08 0.00 1.24 0.00 0.00 39.78 40.26 2ckj n ASN 1146CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ckj s SER 1147N -4.21 0.71 0.00 1.20 1.04 -1.22 -4.72 113.70 106.50 2ckj s SER 1147Ca 0.17 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.13 2ckj s SER 1147Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ckj s SER 1147CO 0.42 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2ckj n GLY 1148N -0.43 -0.82 3.03 7.32 0.00 -1.26 -1.61 105.19 111.41 2ckj n GLY 1148Ca 0.03 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2ckj n GLY 1148CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 1149N -1.62 4.30 -0.10 1.61 0.02 -0.82 -4.59 114.94 113.73 2ckj s ASN 1149Ca 0.00 -1.38 0.07 0.00 -1.02 0.00 0.00 52.86 50.54 2ckj s ASN 1149Cb 0.00 -1.44 -0.24 0.00 0.02 0.00 0.00 41.25 39.59 2ckj s ASN 1149CO 0.00 -0.21 0.44 -0.81 0.02 0.00 0.00 177.10 176.54 2ckj n PRO 1150N 4.49 0.68 -2.37 -0.60 -0.04 -1.26 0.71 135.00 136.61 2ckj n PRO 1150Ca -0.12 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2ckj n PRO 1150Cb 0.43 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2ckj n PRO 1150CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ckj n PHE 1151N -3.13 -1.11 0.00 0.54 3.01 -1.26 -4.72 117.46 110.79 2ckj n PHE 1151Ca -0.25 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.37 2ckj n PHE 1151Cb 1.06 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 2ckj n PHE 1151CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2ckj n HIS 1152N -0.94 0.00 -3.71 1.38 -0.00 -0.95 -4.97 115.22 106.01 2ckj n HIS 1152Ca -0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.16 2ckj n HIS 1152Cb 0.23 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.11 2ckj n HIS 1152CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 2ckj n TYR 1153N -1.74 -0.90 -4.58 1.57 0.18 -1.26 -5.02 117.16 105.42 2ckj n TYR 1153Ca 0.00 -0.64 -0.23 0.00 1.88 0.00 0.00 57.90 58.90 2ckj n TYR 1153Cb 0.33 0.31 -0.14 0.00 -0.38 0.00 0.00 39.34 39.46 2ckj n TYR 1153CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2ckj s PHE 1154N -3.73 1.53 0.30 -3.48 0.40 -1.26 -1.63 117.98 110.11 2ckj s PHE 1154Ca 0.13 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.96 2ckj s PHE 1154Cb -0.01 -0.93 -0.09 0.00 0.51 0.00 0.00 43.02 42.50 2ckj s PHE 1154CO 0.03 0.04 0.73 0.45 0.70 0.00 0.00 175.22 177.17 2ckj s SER 1155N -0.97 6.82 0.14 1.36 0.15 -0.25 -4.92 113.70 116.03 2ckj s SER 1155Ca 0.05 1.29 0.03 0.00 0.70 0.00 0.00 55.95 58.02 2ckj s SER 1155Cb -0.08 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2ckj s SER 1155CO 0.01 -0.15 -0.05 -0.31 1.20 0.00 0.00 173.24 173.94 2ckj s TYR 1156N -1.88 1.14 0.00 3.44 1.51 -1.26 -2.13 117.35 118.16 2ckj s TYR 1156Ca 0.52 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2ckj s TYR 1156Cb -0.12 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.10 2ckj s TYR 1156CO 0.18 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 2ckj n GLY 1157N -0.17 0.24 3.64 0.71 0.00 -0.92 -2.22 105.19 106.48 2ckj n GLY 1157Ca -0.09 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 2ckj n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ckj s VAL 1158N -2.00 0.00 0.04 1.61 1.01 -1.15 -1.32 120.40 118.58 2ckj s VAL 1158Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2ckj s VAL 1158Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2ckj s VAL 1158CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 175.10 174.94 2ckj s ALA 1159N 1.23 1.30 -0.04 5.51 0.00 -0.28 -2.05 121.76 127.43 2ckj s ALA 1159Ca -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 2ckj s ALA 1159Cb -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2ckj s ALA 1159CO -0.14 0.26 0.05 0.00 0.00 0.00 0.00 175.76 175.92 2ckj s SER 1161N 2.02 1.88 -0.03 0.00 0.01 -0.92 0.20 113.70 116.86 2ckj s SER 1161Ca 0.03 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.05 2ckj s SER 1161Cb -0.12 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 2ckj s SER 1161CO -0.03 0.19 -0.18 -0.70 0.41 0.00 0.00 173.24 172.93 2ckj s GLU 1162N -0.42 2.31 0.05 12.44 2.12 0.82 -1.46 118.70 134.57 2ckj s GLU 1162Ca 0.06 -0.81 -0.02 0.00 0.36 0.00 0.00 54.97 54.56 2ckj s GLU 1162Cb -0.06 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 2ckj s GLU 1162CO -0.01 0.59 0.01 0.14 -0.54 0.00 0.00 175.26 175.46 2ckj s VAL 1163N -0.73 0.19 -0.05 3.70 -7.23 -0.82 -2.55 120.40 112.92 2ckj s VAL 1163Ca 0.12 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2ckj s VAL 1163Cb -0.10 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.52 2ckj s VAL 1163CO 0.01 -0.88 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.19 2ckj s GLU 1164N -3.60 0.74 0.42 4.82 2.12 -1.23 -0.53 118.70 121.44 2ckj s GLU 1164Ca 0.04 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.37 2ckj s GLU 1164Cb 0.05 -0.83 0.01 0.00 0.26 0.00 0.00 34.13 33.62 2ckj s GLU 1164CO -0.09 -0.12 0.59 0.96 -0.54 0.00 0.00 175.26 176.06 2ckj s ILE 1165N 1.10 3.39 -0.29 -3.70 -4.36 -0.44 -1.69 121.20 115.20 2ckj s ILE 1165Ca -0.08 -0.88 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 2ckj s ILE 1165Cb -0.14 -3.18 0.08 0.00 1.25 0.00 0.00 42.46 40.47 2ckj s ILE 1165CO -0.01 -0.09 -0.03 -0.62 0.24 0.00 0.00 174.94 174.43 2ckj s ASP 1166N -4.29 4.45 0.00 4.36 2.15 -0.80 -2.76 116.67 119.77 2ckj s ASP 1166Ca 0.52 -1.66 0.15 0.00 0.43 0.00 0.00 52.55 51.99 2ckj s ASP 1166Cb -0.10 -1.48 0.44 0.00 -0.30 0.00 0.00 42.92 41.48 2ckj s ASP 1166CO 0.34 -0.28 1.36 0.00 -0.17 0.00 0.00 175.17 176.42 2ckj h LEU 1168N 2.69 0.41 0.00 0.00 3.38 -1.94 -3.43 115.31 116.41 2ckj h LEU 1168Ca 0.00 -0.89 -0.28 0.00 0.09 0.00 0.00 57.88 56.80 2ckj h LEU 1168Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2ckj h LEU 1168CO 0.00 1.26 -2.20 0.35 0.09 0.00 0.00 178.44 177.94 2ckj n THR 1169N -4.24 1.04 0.00 0.22 -2.24 -1.14 -4.92 114.28 103.00 2ckj n THR 1169Ca -0.12 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2ckj n THR 1169Cb 0.71 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2ckj n THR 1169CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1170N 1.78 0.82 3.85 3.38 0.00 -0.63 -4.82 105.19 109.57 2ckj n GLY 1170Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 2ckj n GLY 1170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ckj s ASP 1171N -2.32 6.75 0.13 1.61 2.15 -1.25 -3.57 116.67 120.17 2ckj s ASP 1171Ca 0.00 0.97 0.04 0.00 0.43 0.00 0.00 52.55 53.98 2ckj s ASP 1171Cb 0.00 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 2ckj s ASP 1171CO 0.00 0.13 -0.09 -1.38 -0.17 0.00 0.00 175.17 173.66 2ckj s HIS 1172N -1.44 1.14 0.43 -5.34 -3.43 -1.26 -1.91 115.29 103.48 2ckj s HIS 1172Ca 0.36 -0.80 -0.05 0.00 -0.80 0.00 0.00 55.06 53.77 2ckj s HIS 1172Cb -0.15 -0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2ckj s HIS 1172CO 0.19 0.01 0.72 0.15 -2.00 0.00 0.00 174.74 173.81 2ckj s LYS 1173N -3.74 3.57 -0.63 -0.38 1.02 -0.68 -4.99 119.74 113.91 2ckj s LYS 1173Ca 0.15 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.31 2ckj s LYS 1173Cb 0.03 -2.45 0.32 0.00 -0.52 0.00 0.00 37.83 35.21 2ckj s LYS 1173CO -0.01 -0.09 1.00 0.09 -0.92 0.00 0.00 175.35 175.42 2ckj n ASN 1174N -1.94 4.65 -0.26 2.83 3.02 -1.26 -3.54 115.26 118.76 2ckj n ASN 1174Ca -0.00 -3.65 -0.07 0.00 -0.03 0.00 0.00 54.58 50.83 2ckj n ASN 1174Cb 0.55 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 2ckj n ASN 1174CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ckj n LEU 1175N -0.04 -0.66 -3.89 3.41 4.77 -1.06 -2.30 117.00 117.24 2ckj n LEU 1175Ca 0.32 1.33 -0.09 0.00 -0.03 0.00 0.00 56.01 57.53 2ckj n LEU 1175Cb 0.38 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2ckj n LEU 1175CO 0.37 -1.01 0.02 -0.60 -1.33 0.00 0.00 177.39 174.84 2ckj s ARG 1176N -4.79 1.12 -0.29 3.23 3.52 -1.06 -2.53 118.95 118.16 2ckj s ARG 1176Ca -0.07 -1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 54.34 2ckj s ARG 1176Cb 0.07 0.40 0.11 0.00 -1.56 0.00 0.00 34.95 33.97 2ckj s ARG 1176CO 0.39 -0.42 0.65 0.99 -0.81 0.00 0.00 175.30 176.10 2ckj s THR 1177N -3.93 -0.67 -0.11 4.11 2.01 -0.76 -0.12 115.64 116.18 2ckj s THR 1177Ca 0.13 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2ckj s THR 1177Cb 0.03 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2ckj s THR 1177CO -0.03 0.00 -0.17 -1.81 -0.69 0.00 0.00 174.62 171.92 2ckj s ASP 1178N 2.48 3.69 0.17 3.53 1.01 0.13 -1.33 116.67 126.35 2ckj s ASP 1178Ca -0.07 -0.39 0.11 0.00 0.71 0.00 0.00 52.55 52.91 2ckj s ASP 1178Cb -0.10 -1.39 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 2ckj s ASP 1178CO -0.19 0.19 -0.25 -0.63 0.21 0.00 0.00 175.17 174.51 2ckj s ILE 1179N 0.17 2.28 -0.07 0.77 1.01 0.20 -0.48 121.20 125.08 2ckj s ILE 1179Ca -0.10 -1.92 -0.01 0.00 0.00 0.00 0.00 60.65 58.62 2ckj s ILE 1179Cb -0.16 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.28 2ckj s ILE 1179CO 0.06 -0.06 -0.02 -0.69 0.00 0.00 0.00 174.94 174.23 2ckj s VAL 1180N -1.47 0.49 -0.05 2.92 1.01 -0.87 -2.34 120.40 120.08 2ckj s VAL 1180Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2ckj s VAL 1180Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2ckj s VAL 1180CO 0.08 0.26 -0.16 -0.32 0.00 0.00 0.00 175.10 174.97 2ckj s MET 1181N 1.65 1.78 -0.36 2.72 0.00 -0.42 -2.95 119.30 121.72 2ckj s MET 1181Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 55.69 54.87 2ckj s MET 1181Cb -0.13 -1.51 0.02 0.00 0.00 0.00 0.00 34.83 33.21 2ckj s MET 1181CO -0.04 0.17 1.04 0.34 0.00 0.00 0.00 175.02 176.52 2ckj s ASP 1182N 0.25 6.80 0.00 1.11 2.15 -0.94 -1.58 116.67 124.47 2ckj s ASP 1182Ca -0.08 0.81 0.11 0.00 0.43 0.00 0.00 52.55 53.82 2ckj s ASP 1182Cb -0.13 -2.52 0.08 0.00 -0.30 0.00 0.00 42.92 40.06 2ckj s ASP 1182CO 0.03 -0.93 0.84 1.33 -0.17 0.00 0.00 175.17 176.27 2ckj n VAL 1183N 6.06 0.00 -2.78 1.11 0.24 -1.26 -4.31 118.33 117.40 2ckj n VAL 1183Ca 0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2ckj n VAL 1183Cb 0.48 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2ckj n VAL 1183CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ckj n GLY 1184N 0.64 0.75 3.36 7.63 0.00 -1.26 0.14 105.19 116.44 2ckj n GLY 1184Ca 0.06 -0.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 2ckj n GLY 1184CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ckj s SER 1185N -4.00 6.81 0.24 1.61 0.01 -0.60 -4.81 113.70 112.96 2ckj s SER 1185Ca 0.00 -2.68 -0.30 0.00 1.31 0.00 0.00 55.95 54.27 2ckj s SER 1185Cb 0.00 -2.25 -0.14 0.00 0.21 0.00 0.00 66.02 63.84 2ckj s SER 1185CO 0.00 -0.63 1.21 -0.24 0.41 0.00 0.00 173.24 173.99 2ckj n SER 1186N 4.33 1.91 0.24 2.44 2.88 -1.26 -4.21 113.62 119.94 2ckj n SER 1186Ca 0.17 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.94 2ckj n SER 1186Cb 0.46 -1.33 0.56 0.00 -0.75 0.00 0.00 64.21 63.16 2ckj n SER 1186CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ckj h LEU 1187N 3.17 0.00 -5.94 2.46 3.38 -1.92 -3.33 115.31 113.13 2ckj h LEU 1187Ca -0.43 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.62 2ckj h LEU 1187Cb 1.32 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.87 2ckj h LEU 1187CO 0.68 0.16 -0.27 0.21 0.09 0.00 0.00 178.44 179.31 2ckj s ASN 1188N -6.83 -1.17 0.49 -0.43 3.84 -1.26 0.62 114.94 110.20 2ckj s ASN 1188Ca -0.04 -0.03 0.28 0.00 0.21 0.00 0.00 52.86 53.29 2ckj s ASN 1188Cb 0.15 1.68 1.15 0.00 -0.55 0.00 0.00 41.25 43.68 2ckj s ASN 1188CO 0.67 -0.20 1.91 -0.65 -2.79 0.00 0.00 177.10 176.05 2ckj h PRO 1189N 7.43 0.00 0.30 0.43 0.11 -1.81 0.67 132.00 139.13 2ckj h PRO 1189Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2ckj h PRO 1189Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ckj h PRO 1189CO 0.05 0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 177.82 2ckj h ALA 1190N 1.88 -0.41 -0.47 -0.75 0.00 -1.90 -3.30 119.26 114.32 2ckj h ALA 1190Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2ckj h ALA 1190Cb 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ckj h ALA 1190CO 0.02 -0.48 0.12 0.82 0.00 0.00 0.00 179.25 179.73 2ckj h ILE 1191N -0.91 1.20 -4.09 0.00 2.04 -1.81 -3.08 117.51 110.87 2ckj h ILE 1191Ca -0.04 -0.73 -0.47 0.00 1.00 0.00 0.00 64.86 64.63 2ckj h ILE 1191Cb 0.51 0.72 0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2ckj h ILE 1191CO 0.07 0.27 0.37 -1.81 0.00 0.00 0.00 178.15 177.05 2ckj s ASP 1192N -6.63 6.45 0.00 1.72 1.01 0.20 -1.25 116.67 118.18 2ckj s ASP 1192Ca -0.09 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.00 2ckj s ASP 1192Cb 0.16 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2ckj s ASP 1192CO 0.78 -0.70 0.00 -0.38 0.21 0.00 0.00 175.17 175.08 2ckj n ILE 1193N -1.04 0.00 -0.36 0.77 5.41 -1.26 -4.27 119.36 118.61 2ckj n ILE 1193Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.88 2ckj n ILE 1193Cb 0.53 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.58 2ckj n ILE 1193CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ckj n GLY 1194N 0.00 -1.71 0.12 7.39 0.00 -1.16 0.17 105.19 110.00 2ckj n GLY 1194Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.97 2ckj n GLY 1194CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ckj h GLN 1195N 0.00 0.31 0.41 1.61 5.75 -1.36 -2.32 115.11 119.50 2ckj h GLN 1195Ca 0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2ckj h GLN 1195Cb 0.69 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 2ckj h GLN 1195CO -1.00 0.26 -0.42 0.28 -2.65 0.00 0.00 178.83 175.30 2ckj h VAL 1196N 0.26 0.00 -0.99 2.39 2.07 -1.08 -2.68 116.25 116.22 2ckj h VAL 1196Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 2ckj h VAL 1196Cb 0.04 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 2ckj h VAL 1196CO -0.01 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.88 2ckj h GLU 1197N -0.83 1.02 0.12 1.57 5.08 0.16 -2.20 114.58 119.50 2ckj h GLU 1197Ca -0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2ckj h GLU 1197Cb 0.72 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ckj h GLU 1197CO -0.06 0.68 -0.06 0.78 -1.00 0.00 0.00 179.01 179.35 2ckj h GLY 1198N 1.05 -0.16 0.93 -3.84 0.00 -1.28 -1.35 103.07 98.42 2ckj h GLY 1198Ca 0.46 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.87 2ckj h GLY 1198CO -0.22 -0.06 0.38 0.00 0.00 0.00 0.00 176.54 176.64 2ckj h ALA 1199N 0.70 0.77 -0.51 3.60 0.00 -1.26 -1.49 119.26 121.07 2ckj h ALA 1199Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ckj h ALA 1199Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2ckj h ALA 1199CO 0.03 0.14 0.27 0.35 0.00 0.00 0.00 179.25 180.03 2ckj h PHE 1200N 0.76 0.50 -0.44 0.00 3.57 -1.22 0.65 116.94 120.76 2ckj h PHE 1200Ca 0.23 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2ckj h PHE 1200Cb -0.02 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2ckj h PHE 1200CO -0.05 0.25 0.29 0.28 -2.23 0.00 0.00 178.31 176.86 2ckj h VAL 1201N 0.53 1.10 0.00 1.41 2.07 -1.05 -2.08 116.25 118.23 2ckj h VAL 1201Ca 0.22 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 2ckj h VAL 1201Cb 0.11 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2ckj h VAL 1201CO -0.14 0.11 -0.43 1.56 0.02 0.00 0.00 177.57 178.68 2ckj h GLN 1202N 0.58 0.00 -0.43 1.57 4.20 0.13 -1.74 115.11 119.42 2ckj h GLN 1202Ca 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2ckj h GLN 1202Cb -0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2ckj h GLN 1202CO -0.04 0.43 0.18 0.78 -0.67 0.00 0.00 178.83 179.51 2ckj h GLY 1203N 1.84 0.68 -0.85 3.46 0.00 -0.83 -2.45 103.07 104.93 2ckj h GLY 1203Ca -0.00 -0.37 0.13 0.00 0.00 0.00 0.00 47.33 47.09 2ckj h GLY 1203CO 0.06 0.35 -0.34 -0.10 0.00 0.00 0.00 176.54 176.51 2ckj n LEU 1204N -4.63 -0.57 0.36 3.11 -0.00 -0.69 -0.56 117.00 114.03 2ckj n LEU 1204Ca 0.00 1.48 -0.17 0.00 -0.00 0.00 0.00 56.01 57.32 2ckj n LEU 1204Cb 0.14 -0.33 -0.08 0.00 -0.00 0.00 0.00 43.42 43.15 2ckj n LEU 1204CO 0.37 -1.32 0.53 1.23 -0.00 0.00 0.00 177.39 178.20 2ckj h GLY 1205N 0.00 -1.20 0.98 -3.96 0.00 -1.27 -2.65 103.07 94.98 2ckj h GLY 1205Ca 0.29 0.49 0.13 0.00 0.00 0.00 0.00 47.33 48.24 2ckj h GLY 1205CO -0.84 -0.40 0.38 -2.00 0.00 0.00 0.00 176.54 173.68 2ckj h LEU 1206N -1.02 0.00 0.00 3.11 5.85 -0.92 -0.65 115.31 121.68 2ckj h LEU 1206Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ckj h LEU 1206Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2ckj h LEU 1206CO 0.08 0.00 -1.41 0.49 -0.34 0.00 0.00 178.44 177.27 2ckj n PHE 1207N -4.12 0.00 -0.01 1.25 0.99 0.27 -4.58 117.46 111.27 2ckj n PHE 1207Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 2ckj n PHE 1207Cb 0.58 -0.22 0.00 0.00 -1.00 0.00 0.00 39.48 38.84 2ckj n PHE 1207CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ckj n THR 1208N -1.82 0.00 0.00 4.37 -2.24 -1.00 0.34 114.28 113.93 2ckj n THR 1208Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ckj n THR 1208Cb 0.42 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2ckj n THR 1208CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 1209N -0.03 0.77 -4.65 3.22 7.94 -0.30 -3.87 117.00 120.07 2ckj n LEU 1209Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 2ckj n LEU 1209Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.86 2ckj n LEU 1209CO 0.00 0.13 -0.19 -1.61 -1.11 0.00 0.00 177.39 174.60 2ckj s GLU 1210N -1.43 4.05 -0.03 1.96 2.02 -0.89 -4.67 118.70 119.71 2ckj s GLU 1210Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2ckj s GLU 1210Cb 0.00 -3.46 0.03 0.00 0.10 0.00 0.00 34.13 30.80 2ckj s GLU 1210CO 0.00 0.11 -0.00 -2.00 0.02 0.00 0.00 175.26 173.39 2ckj s GLU 1211N 0.88 0.32 0.09 1.61 2.12 -1.26 -4.85 118.70 117.61 2ckj s GLU 1211Ca 0.07 0.06 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2ckj s GLU 1211Cb -0.13 -0.48 -0.06 0.00 0.26 0.00 0.00 34.13 33.72 2ckj s GLU 1211CO 0.03 -0.12 0.43 -0.51 -0.54 0.00 0.00 175.26 174.54 2ckj s LEU 1212N 0.95 4.35 -0.03 2.70 1.02 -1.26 -4.88 118.68 121.53 2ckj s LEU 1212Ca -0.10 0.84 0.05 0.00 0.02 0.00 0.00 54.13 54.94 2ckj s LEU 1212Cb -0.13 -3.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.03 2ckj s LEU 1212CO -0.02 0.16 -0.17 -1.00 0.02 0.00 0.00 176.35 175.34 2ckj s HIS 1213N -1.40 2.60 -0.05 0.29 3.76 -1.26 -5.04 115.29 114.18 2ckj s HIS 1213Ca 0.34 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 2ckj s HIS 1213Cb -0.14 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 31.98 2ckj s HIS 1213CO 0.18 0.15 -0.14 0.71 -0.85 0.00 0.00 174.74 174.79 2ckj s TYR 1214N -0.74 1.51 0.48 1.40 1.51 -1.26 -1.23 117.35 119.02 2ckj s TYR 1214Ca 0.12 -0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 55.49 2ckj s TYR 1214Cb -0.10 -1.06 -0.13 0.00 -0.11 0.00 0.00 41.96 40.55 2ckj s TYR 1214CO 0.01 -0.21 0.17 -1.13 -1.11 0.00 0.00 175.55 173.27 2ckj n SER 1215N 3.48 -2.50 -0.34 2.29 3.41 -0.67 -4.78 113.62 114.51 2ckj n SER 1215Ca -0.20 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2ckj n SER 1215Cb 0.53 -0.97 0.34 0.00 -0.26 0.00 0.00 64.21 63.84 2ckj n SER 1215CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2ckj h PRO 1216N 0.23 0.73 -0.35 4.33 0.13 -1.92 -0.57 132.00 134.58 2ckj h PRO 1216Ca -0.41 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ckj h PRO 1216Cb 1.43 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ckj h PRO 1216CO 0.45 0.48 0.00 -0.85 -0.23 0.00 0.00 178.00 177.86 2ckj n GLU 1217N -4.70 1.83 0.00 0.86 0.00 -1.26 -4.99 120.64 112.38 2ckj n GLU 1217Ca 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 57.16 56.09 2ckj n GLU 1217Cb 0.55 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.70 2ckj n GLU 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 1218N 1.08 1.12 3.69 -1.84 0.00 -0.22 -4.66 105.19 104.36 2ckj n GLY 1218Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2ckj n GLY 1218CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 1219N -2.00 6.27 0.26 1.61 0.15 -1.26 -4.51 113.70 114.21 2ckj s SER 1219Ca 0.00 0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.65 2ckj s SER 1219Cb 0.00 -2.15 -0.11 0.00 -1.71 0.00 0.00 66.02 62.05 2ckj s SER 1219CO 0.00 0.05 1.57 -0.22 1.20 0.00 0.00 173.24 175.84 2ckj s LEU 1220N 0.90 4.36 -0.16 3.45 2.96 -1.26 -1.68 118.68 127.26 2ckj s LEU 1220Ca 0.12 2.83 0.15 0.00 -0.22 0.00 0.00 54.13 57.01 2ckj s LEU 1220Cb -0.13 -3.62 -0.24 0.00 0.50 0.00 0.00 46.19 42.69 2ckj s LEU 1220CO 0.04 -0.86 0.22 1.41 -1.32 0.00 0.00 176.35 175.84 2ckj n HIS 1221N 2.64 0.29 -3.41 5.38 8.25 -0.37 -4.87 115.22 123.13 2ckj n HIS 1221Ca 0.09 0.10 -0.44 0.00 -0.26 0.00 0.00 57.72 57.21 2ckj n HIS 1221Cb 0.38 -1.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.37 2ckj n HIS 1221CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ckj s THR 1222N -2.52 4.95 -0.10 1.59 -1.32 -1.24 -4.96 115.64 112.03 2ckj s THR 1222Ca -0.10 -1.38 0.17 0.00 -1.21 0.00 0.00 61.69 59.17 2ckj s THR 1222Cb 0.07 -4.09 0.38 0.00 -1.51 0.00 0.00 72.50 67.35 2ckj s THR 1222CO 0.82 -0.71 1.18 0.54 -2.21 0.00 0.00 174.62 174.23 2ckj n ARG 1223N 5.14 0.76 -3.60 7.08 1.74 -1.26 -4.86 116.66 121.67 2ckj n ARG 1223Ca -0.12 -2.51 0.01 0.00 -0.77 0.00 0.00 57.85 54.46 2ckj n ARG 1223Cb 0.42 -0.83 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 2ckj n ARG 1223CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ckj s GLY 1224N -2.50 -0.38 0.00 -0.13 0.00 -1.26 -4.02 107.32 99.03 2ckj s GLY 1224Ca 0.33 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.25 2ckj s GLY 1224CO -0.10 0.32 0.64 -1.55 0.00 0.00 0.00 173.10 172.42 2ckj n PRO 1225N -0.32 0.00 -0.04 2.90 -0.04 -1.26 -0.52 135.00 135.72 2ckj n PRO 1225Ca -0.04 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2ckj n PRO 1225Cb 0.61 -1.81 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 2ckj n PRO 1225CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ckj h SER 1226N 0.00 0.20 0.22 3.54 4.64 -1.94 -3.42 113.55 116.80 2ckj h SER 1226Ca 0.00 -0.79 -0.34 0.00 -0.47 0.00 0.00 61.79 60.19 2ckj h SER 1226Cb 0.62 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 2ckj h SER 1226CO 0.00 1.46 -2.05 0.35 -0.87 0.00 0.00 176.83 175.72 2ckj n THR 1227N -4.20 1.57 -3.01 2.95 -2.24 0.32 -4.76 114.28 104.92 2ckj n THR 1227Ca -0.24 -0.75 -0.44 0.00 -2.27 0.00 0.00 64.05 60.35 2ckj n THR 1227Cb 0.76 -1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 2ckj n THR 1227CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ckj s TYR 1228N -2.55 2.88 -0.89 4.78 5.04 -0.02 -4.92 117.35 121.67 2ckj s TYR 1228Ca -0.14 -0.73 -0.19 0.00 -2.44 0.00 0.00 57.07 53.57 2ckj s TYR 1228Cb 0.07 -4.07 0.13 0.00 0.35 0.00 0.00 41.96 38.45 2ckj s TYR 1228CO 0.78 -1.40 1.07 0.15 -1.34 0.00 0.00 175.55 174.81 2ckj s LYS 1229N 3.22 3.55 0.77 4.97 -0.14 -1.26 -4.22 119.74 126.63 2ckj s LYS 1229Ca 0.16 -1.75 -0.11 0.00 -1.36 0.00 0.00 55.97 52.91 2ckj s LYS 1229Cb -0.21 -4.80 0.05 0.00 -1.68 0.00 0.00 37.83 31.20 2ckj s LYS 1229CO 0.09 -1.72 1.09 0.96 -0.76 0.00 0.00 175.35 175.01 2ckj s ILE 1230N 2.54 3.27 0.24 2.17 -4.36 -1.26 -4.43 121.20 119.38 2ckj s ILE 1230Ca 0.30 0.41 -0.30 0.00 -0.26 0.00 0.00 60.65 60.80 2ckj s ILE 1230Cb -0.07 -3.20 -0.09 0.00 1.25 0.00 0.00 42.46 40.35 2ckj s ILE 1230CO -0.08 -0.54 1.02 -2.16 0.24 0.00 0.00 174.94 173.43 2ckj s PRO 1231N -5.18 4.73 0.48 0.37 0.04 -1.26 -5.00 135.00 129.19 2ckj s PRO 1231Ca 0.60 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.36 2ckj s PRO 1231Cb -0.14 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.19 2ckj s PRO 1231CO 0.54 0.33 0.57 0.00 0.04 0.00 0.00 177.00 178.48 2ckj s ALA 1232N -1.01 4.47 0.16 8.56 0.00 -1.26 -4.84 121.76 127.83 2ckj s ALA 1232Ca 0.44 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2ckj s ALA 1232Cb -0.29 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2ckj s ALA 1232CO 0.36 -0.46 1.55 0.74 0.00 0.00 0.00 175.76 177.95 2ckj h PHE 1233N 0.60 -1.61 0.00 0.00 -1.00 -1.85 0.14 116.94 113.22 2ckj h PHE 1233Ca -0.37 0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2ckj h PHE 1233Cb 1.28 0.79 0.00 0.00 3.61 0.00 0.00 35.95 41.64 2ckj h PHE 1233CO 0.51 -0.43 0.71 0.41 -1.61 0.00 0.00 178.31 177.89 2ckj n GLY 1234N -1.35 -0.31 0.00 -1.45 0.00 -1.26 -3.64 105.19 97.18 2ckj n GLY 1234Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2ckj n GLY 1234CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ckj n SER 1235N -1.80 1.20 -4.77 1.61 7.64 0.50 -5.00 113.62 113.00 2ckj n SER 1235Ca 0.00 -0.48 -0.36 0.00 1.01 0.00 0.00 58.87 59.04 2ckj n SER 1235Cb 0.71 1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 65.12 2ckj n SER 1235CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ckj s ILE 1236N -2.37 3.09 0.45 0.44 -5.25 -1.24 -4.84 121.20 111.48 2ckj s ILE 1236Ca 0.01 0.75 -0.22 0.00 -0.99 0.00 0.00 60.65 60.20 2ckj s ILE 1236Cb 0.08 -3.34 -0.12 0.00 2.95 0.00 0.00 42.46 42.03 2ckj s ILE 1236CO 0.48 -0.08 0.55 -0.81 -1.79 0.00 0.00 174.94 173.29 2ckj n PRO 1237N -0.92 0.59 0.09 0.37 -0.04 -1.26 -4.85 135.00 128.98 2ckj n PRO 1237Ca 0.10 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2ckj n PRO 1237Cb 0.49 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2ckj n PRO 1237CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ckj h ILE 1238N 0.72 0.46 -3.48 0.52 1.08 -1.44 -3.39 117.51 111.98 2ckj h ILE 1238Ca -0.42 -0.95 -0.67 0.00 -0.39 0.00 0.00 64.86 62.43 2ckj h ILE 1238Cb 1.40 0.78 -0.19 0.00 -3.07 0.00 0.00 36.82 35.73 2ckj h ILE 1238CO 0.51 0.12 -0.67 -1.83 -0.69 0.00 0.00 178.15 175.59 2ckj s GLU 1239N -3.12 3.10 -0.42 2.37 -1.05 -1.05 -5.03 118.70 113.50 2ckj s GLU 1239Ca -0.10 -0.52 0.03 0.00 -0.15 0.00 0.00 54.97 54.23 2ckj s GLU 1239Cb 0.00 -2.73 0.12 0.00 -0.44 0.00 0.00 34.13 31.09 2ckj s GLU 1239CO 0.34 0.53 0.19 0.12 0.95 0.00 0.00 175.26 177.38 2ckj s PHE 1240N -0.42 2.61 -0.37 4.83 5.99 -1.26 -1.84 117.98 127.52 2ckj s PHE 1240Ca 0.07 -2.64 -0.12 0.00 0.00 0.00 0.00 56.93 54.24 2ckj s PHE 1240Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 43.02 40.60 2ckj s PHE 1240CO 0.02 -0.82 0.22 0.50 -0.00 0.00 0.00 175.22 175.14 2ckj s ARG 1241N 0.47 2.98 -0.00 10.12 3.52 -0.44 -4.04 118.95 131.55 2ckj s ARG 1241Ca 0.15 -0.98 0.05 0.00 -0.13 0.00 0.00 55.73 54.81 2ckj s ARG 1241Cb -0.23 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2ckj s ARG 1241CO -0.05 -0.65 -0.13 0.08 -0.81 0.00 0.00 175.30 173.74 2ckj s VAL 1242N 1.60 3.17 -0.16 7.11 1.01 -1.15 0.63 120.40 132.60 2ckj s VAL 1242Ca 0.03 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2ckj s VAL 1242Cb -0.19 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2ckj s VAL 1242CO 0.07 0.45 0.38 -0.94 0.00 0.00 0.00 175.10 175.06 2ckj s SER 1243N -1.17 -0.37 0.32 3.32 1.04 -0.99 -2.32 113.70 113.53 2ckj s SER 1243Ca 0.14 0.84 -0.22 0.00 0.48 0.00 0.00 55.95 57.20 2ckj s SER 1243Cb -0.11 0.83 -0.09 0.00 0.10 0.00 0.00 66.02 66.74 2ckj s SER 1243CO 0.04 -0.20 0.85 -0.76 0.98 0.00 0.00 173.24 174.15 2ckj s LEU 1244N 1.68 4.22 -0.14 2.42 1.43 -0.66 -1.30 118.68 126.34 2ckj s LEU 1244Ca -0.07 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 54.42 2ckj s LEU 1244Cb -0.10 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 2ckj s LEU 1244CO -0.12 -0.12 0.64 -0.22 0.23 0.00 0.00 176.35 176.77 2ckj s LEU 1245N -2.40 4.22 0.32 1.79 2.96 -0.61 -4.69 118.68 120.27 2ckj s LEU 1245Ca 0.51 0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 2ckj s LEU 1245Cb -0.15 -2.95 -0.07 0.00 0.50 0.00 0.00 46.19 43.52 2ckj s LEU 1245CO 0.20 -0.19 0.67 0.00 -1.32 0.00 0.00 176.35 175.70 2ckj s ARG 1246N 1.40 3.83 -0.56 1.98 1.70 -1.26 -4.63 118.95 121.40 2ckj s ARG 1246Ca 0.32 0.40 -0.15 0.00 -0.47 0.00 0.00 55.73 55.83 2ckj s ARG 1246Cb -0.16 -2.51 0.02 0.00 -0.57 0.00 0.00 34.95 31.73 2ckj s ARG 1246CO 0.13 0.15 0.64 -0.25 -1.08 0.00 0.00 175.30 174.89 2ckj n ASP 1247N -0.67 -7.05 -2.69 -2.89 8.00 -1.26 -5.01 116.55 104.98 2ckj n ASP 1247Ca 0.02 0.06 -0.06 0.00 0.71 0.00 0.00 54.79 55.51 2ckj n ASP 1247Cb 0.53 -4.17 0.10 0.00 -0.02 0.00 0.00 41.12 37.56 2ckj n ASP 1247CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj s PRO 1249N 0.15 2.80 -0.27 0.00 0.02 -1.26 -4.54 135.00 131.90 2ckj s PRO 1249Ca 0.20 1.87 -0.00 0.00 0.02 0.00 0.00 61.00 63.09 2ckj s PRO 1249Cb 0.28 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.95 2ckj s PRO 1249CO -0.12 -1.35 -0.06 1.21 -0.33 0.00 0.00 177.00 176.35 2ckj s ASN 1250N -1.60 4.50 0.00 2.53 2.47 -1.05 -4.96 114.94 116.83 2ckj s ASN 1250Ca 0.78 -1.15 0.27 0.00 0.42 0.00 0.00 52.86 53.18 2ckj s ASN 1250Cb -0.32 -1.64 0.80 0.00 -1.45 0.00 0.00 41.25 38.64 2ckj s ASN 1250CO 0.36 -0.19 1.60 2.29 -3.72 0.00 0.00 177.10 177.44 2ckj n LYS 1251N 4.59 0.51 -0.08 0.43 2.85 -1.26 -3.72 118.16 121.47 2ckj n LYS 1251Ca -0.15 -0.27 0.11 0.00 -1.05 0.00 0.00 58.31 56.95 2ckj n LYS 1251Cb 0.44 -1.49 0.37 0.00 -0.65 0.00 0.00 35.03 33.70 2ckj n LYS 1251CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ckj n LYS 1252N -1.01 1.78 -3.75 -1.58 5.02 -1.26 -4.94 118.16 112.42 2ckj n LYS 1252Ca 0.10 -1.16 -0.12 0.00 -2.02 0.00 0.00 58.31 55.10 2ckj n LYS 1252Cb 0.33 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2ckj n LYS 1252CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ckj s ALA 1253N -1.78 -0.76 0.00 7.82 0.00 -1.24 -5.08 121.76 120.72 2ckj s ALA 1253Ca 0.33 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2ckj s ALA 1253Cb 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2ckj s ALA 1253CO 0.27 -0.17 0.00 1.51 0.00 0.00 0.00 175.76 177.36 2ckj n ILE 1254N 3.36 0.00 -2.19 0.00 3.06 -1.26 -1.72 119.36 120.62 2ckj n ILE 1254Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 2ckj n ILE 1254Cb 0.57 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.75 2ckj n ILE 1254CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2ckj n TYR 1255N 0.00 0.00 -0.90 9.51 4.02 -1.26 -1.35 117.16 127.18 2ckj n TYR 1255Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2ckj n TYR 1255Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2ckj n TYR 1255CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ckj n ALA 1256N -0.77 0.00 -2.72 -0.72 0.00 -0.70 -4.87 120.51 110.73 2ckj n ALA 1256Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2ckj n ALA 1256Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 2ckj n ALA 1256CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ckj s SER 1257N -2.36 5.29 0.14 0.00 1.04 -0.46 -1.56 113.70 115.79 2ckj s SER 1257Ca 0.00 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2ckj s SER 1257Cb 0.00 -1.38 -0.05 0.00 0.10 0.00 0.00 66.02 64.70 2ckj s SER 1257CO 0.00 0.21 0.33 -0.54 0.98 0.00 0.00 173.24 174.22 2ckj s LYS 1258N -2.06 3.53 0.59 4.02 1.02 0.37 -4.62 119.74 122.59 2ckj s LYS 1258Ca 0.25 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 55.74 2ckj s LYS 1258Cb -0.12 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 2ckj s LYS 1258CO 0.17 0.49 1.06 0.00 -0.92 0.00 0.00 175.35 176.15 2ckj n ALA 1259N -0.15 0.49 0.00 5.17 0.00 -1.26 -4.80 120.51 119.95 2ckj n ALA 1259Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ckj n ALA 1259Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2ckj n ALA 1259CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2ckj n VAL 1260N -1.58 0.00 -0.27 0.00 3.14 -1.26 -4.91 118.33 113.45 2ckj n VAL 1260Ca 0.13 -0.04 -0.03 0.00 -2.96 0.00 0.00 64.34 61.44 2ckj n VAL 1260Cb 0.46 0.39 -0.01 0.00 -1.06 0.00 0.00 33.84 33.63 2ckj n VAL 1260CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ckj n GLY 1261N 0.60 -1.53 0.00 7.55 0.00 -1.26 -4.47 105.19 106.08 2ckj n GLY 1261Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2ckj n GLY 1261CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 1262N -4.93 0.40 -0.32 1.61 1.02 -1.26 -4.75 120.64 112.41 2ckj n GLU 1262Ca 0.05 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 2ckj n GLU 1262Cb 0.23 -0.97 0.13 0.00 -0.02 0.00 0.00 31.44 30.81 2ckj n GLU 1262CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ckj h PRO 1263N 0.00 0.00 0.00 3.49 0.11 -1.93 -0.19 132.00 133.49 2ckj h PRO 1263Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ckj h PRO 1263Cb 0.93 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ckj h PRO 1263CO 0.00 0.00 0.00 -1.00 -0.21 0.00 0.00 178.00 176.79 2ckj h PRO 1264N 0.00 0.00 -0.88 1.05 0.13 -1.85 -3.16 132.00 127.29 2ckj h PRO 1264Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 2ckj h PRO 1264Cb 0.68 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 2ckj h PRO 1264CO -0.94 0.00 0.55 1.25 -0.23 0.00 0.00 178.00 178.63 2ckj h LEU 1265N 0.00 1.03 -0.82 1.56 6.46 -1.24 -2.06 115.31 120.23 2ckj h LEU 1265Ca 0.00 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.85 2ckj h LEU 1265Cb 0.22 -0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 39.80 2ckj h LEU 1265CO 0.00 0.77 0.41 0.15 -0.62 0.00 0.00 178.44 179.16 2ckj h PHE 1266N 1.20 0.73 -0.66 1.25 -0.00 -1.74 -3.10 116.94 114.61 2ckj h PHE 1266Ca 0.32 0.03 0.19 0.00 -0.00 0.00 0.00 57.97 58.51 2ckj h PHE 1266Cb -0.09 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 35.63 2ckj h PHE 1266CO 0.00 0.19 0.99 -0.07 -0.00 0.00 0.00 178.31 179.43 2ckj h LEU 1267N 0.62 0.00 -1.48 0.59 3.38 -1.59 0.31 115.31 117.13 2ckj h LEU 1267Ca 0.44 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.53 2ckj h LEU 1267Cb 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2ckj h LEU 1267CO -0.34 0.00 0.50 0.00 0.09 0.00 0.00 178.44 178.69 2ckj h ALA 1268N 0.63 1.95 0.00 1.53 0.00 -1.74 -1.27 119.26 120.37 2ckj h ALA 1268Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ckj h ALA 1268Cb 2.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2ckj h ALA 1268CO -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2ckj n ALA 1269N -2.49 0.00 -0.32 0.00 0.00 0.10 0.11 120.51 117.91 2ckj n ALA 1269Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.76 2ckj n ALA 1269Cb 0.43 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.25 2ckj n ALA 1269CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 1270N 0.00 0.10 -0.10 0.00 4.64 -1.47 0.44 113.55 117.15 2ckj h SER 1270Ca 0.00 0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 2ckj h SER 1270Cb 0.00 0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2ckj h SER 1270CO 0.00 -0.22 -0.16 0.40 -0.87 0.00 0.00 176.83 175.99 2ckj h ILE 1271N 0.18 1.24 -0.33 0.95 2.04 0.48 0.16 117.51 122.22 2ckj h ILE 1271Ca 0.64 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2ckj h ILE 1271Cb 1.41 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2ckj h ILE 1271CO -0.70 0.34 0.14 0.15 0.00 0.00 0.00 178.15 178.08 2ckj h PHE 1272N 0.43 0.51 0.00 1.37 3.57 -0.13 -2.00 116.94 120.69 2ckj h PHE 1272Ca 0.08 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 2ckj h PHE 1272Cb 0.53 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2ckj h PHE 1272CO 0.02 0.47 -0.58 0.74 -2.23 0.00 0.00 178.31 176.73 2ckj h PHE 1273N 0.39 0.00 0.00 0.41 -1.00 -1.12 0.14 116.94 115.76 2ckj h PHE 1273Ca 0.11 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 2ckj h PHE 1273Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2ckj h PHE 1273CO -0.01 0.58 -0.48 0.00 -1.61 0.00 0.00 178.31 176.80 2ckj h ALA 1274N 1.42 1.04 -0.32 2.45 0.00 -0.65 -1.78 119.26 121.41 2ckj h ALA 1274Ca -0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2ckj h ALA 1274Cb 1.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ckj h ALA 1274CO 0.08 0.60 -0.50 0.82 0.00 0.00 0.00 179.25 180.25 2ckj h ILE 1275N 0.00 1.27 -0.47 0.00 2.04 -0.57 -2.91 117.51 116.87 2ckj h ILE 1275Ca -0.00 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.19 2ckj h ILE 1275Cb 0.95 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2ckj h ILE 1275CO 0.06 0.55 0.31 0.50 0.00 0.00 0.00 178.15 179.58 2ckj h LYS 1276N 0.70 0.57 0.10 2.37 3.64 -0.21 -2.79 116.57 120.95 2ckj h LYS 1276Ca 0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ckj h LYS 1276Cb 1.11 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2ckj h LYS 1276CO 0.12 0.37 -0.05 0.22 -2.27 0.00 0.00 179.45 177.84 2ckj h ASP 1277N 0.58 -0.11 -0.03 4.20 3.58 -1.26 -2.11 116.42 121.28 2ckj h ASP 1277Ca 0.18 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 2ckj h ASP 1277Cb 0.02 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2ckj h ASP 1277CO -0.04 0.05 -0.43 0.00 -2.88 0.00 0.00 179.24 175.94 2ckj h ALA 1278N 0.63 0.83 -0.55 -0.78 0.00 -1.40 -1.50 119.26 116.49 2ckj h ALA 1278Ca -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.55 2ckj h ALA 1278Cb 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 2ckj h ALA 1278CO 0.02 0.65 -0.34 0.82 0.00 0.00 0.00 179.25 180.40 2ckj h ILE 1279N 0.46 0.18 0.00 0.00 1.08 -1.47 -1.97 117.51 115.79 2ckj h ILE 1279Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2ckj h ILE 1279Cb 0.93 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 2ckj h ILE 1279CO 0.08 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.08 2ckj n ARG 1280N -5.43 0.00 -0.58 2.37 5.12 -0.59 -1.22 116.66 116.32 2ckj n ARG 1280Ca 0.03 0.76 0.47 0.00 -1.93 0.00 0.00 57.85 57.18 2ckj n ARG 1280Cb 0.35 -1.24 0.77 0.00 -1.16 0.00 0.00 32.46 31.18 2ckj n ARG 1280CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ckj h ALA 1281N -1.40 3.49 0.00 7.54 0.00 -1.03 0.43 119.26 128.28 2ckj h ALA 1281Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2ckj h ALA 1281Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ckj h ALA 1281CO 0.00 -2.03 -1.20 0.00 0.00 0.00 0.00 179.25 176.02 2ckj h ALA 1282N 1.22 0.65 -0.46 0.00 0.00 -0.77 -3.18 119.26 116.71 2ckj h ALA 1282Ca 0.85 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ckj h ALA 1282Cb 3.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 21.21 2ckj h ALA 1282CO -0.11 0.84 0.07 0.00 0.00 0.00 0.00 179.25 180.06 2ckj h ARG 1283N 0.00 0.76 -0.21 0.00 3.08 0.13 -3.10 114.38 115.04 2ckj h ARG 1283Ca -0.12 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.56 2ckj h ARG 1283Cb 1.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2ckj h ARG 1283CO 0.05 0.78 -0.52 0.00 -1.07 0.00 0.00 179.97 179.21 2ckj h ALA 1284N 0.95 0.69 0.11 0.04 0.00 -1.42 -0.78 119.26 118.84 2ckj h ALA 1284Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ckj h ALA 1284Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ckj h ALA 1284CO 0.01 0.68 -0.14 0.37 0.00 0.00 0.00 179.25 180.17 2ckj h GLN 1285N 0.47 -0.25 -0.97 0.00 4.15 -1.65 -3.35 115.11 113.52 2ckj h GLN 1285Ca 0.02 0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.20 2ckj h GLN 1285Cb 1.07 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.67 2ckj h GLN 1285CO 0.10 -0.17 0.32 0.72 -1.93 0.00 0.00 178.83 177.88 2ckj n HIS 1286N -3.20 1.65 -0.79 3.99 8.25 -1.17 -4.01 115.22 119.95 2ckj n HIS 1286Ca -0.03 -1.14 0.08 0.00 -0.26 0.00 0.00 57.72 56.36 2ckj n HIS 1286Cb 0.12 -0.60 0.15 0.00 1.12 0.00 0.00 29.99 30.79 2ckj n HIS 1286CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2ckj n THR 1287N -0.32 1.78 0.00 1.59 5.66 -0.30 -4.20 114.28 118.49 2ckj n THR 1287Ca 0.31 -1.83 0.00 0.00 -3.05 0.00 0.00 64.05 59.49 2ckj n THR 1287Cb 1.11 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 2ckj n THR 1287CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ckj n GLY 1288N -0.82 0.20 0.00 1.09 0.00 -1.26 -4.41 105.19 99.99 2ckj n GLY 1288Ca 0.15 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2ckj n GLY 1288CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 1289N 2.65 0.00 -2.78 1.61 0.23 -1.26 -4.68 115.26 111.04 2ckj n ASN 1289Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 2ckj n ASN 1289Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ckj n ASN 1289CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ckj n ASN 1290N 0.00 -7.17 0.00 0.53 3.02 -1.26 -4.73 115.26 105.65 2ckj n ASN 1290Ca 0.00 1.29 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 2ckj n ASN 1290Cb 0.00 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.38 2ckj n ASN 1290CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2ckj n VAL 1291N 0.91 0.00 -3.57 2.41 0.24 -1.26 -4.13 118.33 112.92 2ckj n VAL 1291Ca -0.04 0.18 -0.27 0.00 -2.04 0.00 0.00 64.34 62.17 2ckj n VAL 1291Cb 0.13 -0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 31.96 2ckj n VAL 1291CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ckj n LYS 1292N 0.00 2.02 -0.55 7.34 5.02 -1.26 -5.13 118.16 125.60 2ckj n LYS 1292Ca 0.00 -4.42 -0.20 0.00 -2.02 0.00 0.00 58.31 51.67 2ckj n LYS 1292Cb 0.00 -2.16 -0.02 0.00 -0.02 0.00 0.00 35.03 32.84 2ckj n LYS 1292CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ckj n GLU 1293N 1.39 0.00 -3.78 1.97 -0.58 -1.26 -4.94 120.64 113.44 2ckj n GLU 1293Ca 0.26 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.70 2ckj n GLU 1293Cb 0.40 -0.45 -0.14 0.00 -0.57 0.00 0.00 31.44 30.69 2ckj n GLU 1293CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ckj s LEU 1294N 0.77 3.10 -0.06 -4.62 1.43 -1.26 -4.99 118.68 113.06 2ckj s LEU 1294Ca 0.28 -2.57 0.01 0.00 -1.03 0.00 0.00 54.13 50.82 2ckj s LEU 1294Cb -0.40 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2ckj s LEU 1294CO 0.22 -0.28 -0.08 0.72 0.23 0.00 0.00 176.35 177.16 2ckj s PHE 1295N 0.39 2.91 -0.60 0.29 -0.12 -1.26 -5.04 117.98 114.55 2ckj s PHE 1295Ca 0.16 0.00 -0.28 0.00 -0.05 0.00 0.00 56.93 56.76 2ckj s PHE 1295Cb -0.24 -1.69 -0.11 0.00 -0.63 0.00 0.00 43.02 40.35 2ckj s PHE 1295CO -0.03 0.32 2.47 -2.13 -0.05 0.00 0.00 175.22 175.81 2ckj n ARG 1296N 2.15 0.82 -4.81 1.99 3.00 -1.26 -5.03 116.66 113.52 2ckj n ARG 1296Ca -0.18 0.03 -0.33 0.00 -0.00 0.00 0.00 57.85 57.38 2ckj n ARG 1296Cb 0.53 -2.90 -0.15 0.00 0.00 0.00 0.00 32.46 29.94 2ckj n ARG 1296CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2ckj s LEU 1297N 11.02 2.59 0.06 6.15 2.96 -1.26 -5.11 118.68 135.09 2ckj s LEU 1297Ca 1.08 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2ckj s LEU 1297Cb -0.49 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2ckj s LEU 1297CO 0.34 0.15 0.08 -1.81 -1.32 0.00 0.00 176.35 173.79 2ckj s ASP 1298N 0.41 5.59 -0.36 3.68 1.01 -1.26 -4.83 116.67 120.91 2ckj s ASP 1298Ca -0.11 0.04 -0.18 0.00 0.71 0.00 0.00 52.55 53.01 2ckj s ASP 1298Cb -0.16 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.23 2ckj s ASP 1298CO 0.05 0.20 0.49 -0.55 0.21 0.00 0.00 175.17 175.57 2ckj s SER 1299N -2.22 6.28 -0.04 0.27 0.15 -0.97 -3.75 113.70 113.43 2ckj s SER 1299Ca 0.28 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.81 2ckj s SER 1299Cb -0.12 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2ckj s SER 1299CO 0.20 -0.49 -0.17 -2.16 1.20 0.00 0.00 173.24 171.82 2ckj s PRO 1300N 2.33 1.70 -1.27 5.44 0.05 -1.26 0.38 135.00 142.37 2ckj s PRO 1300Ca 0.17 -0.62 -0.19 0.00 0.05 0.00 0.00 61.00 60.41 2ckj s PRO 1300Cb -0.16 -1.52 0.02 0.00 0.05 0.00 0.00 34.50 32.90 2ckj s PRO 1300CO 0.13 0.28 1.84 0.00 0.05 0.00 0.00 177.00 179.30 2ckj n ALA 1301N 3.01 3.36 -1.60 8.56 0.00 0.15 -4.84 120.51 129.15 2ckj n ALA 1301Ca -0.17 -3.65 -0.33 0.00 0.00 0.00 0.00 53.44 49.29 2ckj n ALA 1301Cb 0.53 -3.58 0.03 0.00 0.00 0.00 0.00 19.45 16.43 2ckj n ALA 1301CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ckj s THR 1302N 5.64 3.63 0.11 0.00 -4.23 -1.25 -4.71 115.64 114.83 2ckj s THR 1302Ca 0.57 0.74 0.05 0.00 -1.18 0.00 0.00 61.69 61.87 2ckj s THR 1302Cb 0.04 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.72 2ckj s THR 1302CO 0.08 -0.49 0.50 -2.65 -0.54 0.00 0.00 174.62 171.52 2ckj n PRO 1303N -2.27 -0.02 0.22 3.99 -0.02 -1.23 -0.92 135.00 134.75 2ckj n PRO 1303Ca 0.09 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 2ckj n PRO 1303Cb 0.53 -0.78 -0.05 0.00 -0.02 0.00 0.00 33.50 33.18 2ckj n PRO 1303CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ckj h GLU 1304N 0.00 -0.60 0.00 -0.52 4.81 -1.91 -1.84 114.58 114.52 2ckj h GLU 1304Ca 0.25 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2ckj h GLU 1304Cb 0.65 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2ckj h GLU 1304CO -0.25 -0.40 -0.06 0.87 -0.73 0.00 0.00 179.01 178.44 2ckj h LYS 1305N -1.10 0.00 0.09 1.92 1.57 -1.52 -1.02 116.57 116.52 2ckj h LYS 1305Ca -0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2ckj h LYS 1305Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 2ckj h LYS 1305CO 0.10 0.06 -0.55 0.82 -0.57 0.00 0.00 179.45 179.31 2ckj h ILE 1306N 0.00 1.60 -0.07 1.86 2.04 -1.07 -3.31 117.51 118.56 2ckj h ILE 1306Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2ckj h ILE 1306Cb 0.22 3.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 2ckj h ILE 1306CO 0.01 0.68 0.03 -0.09 0.00 0.00 0.00 178.15 178.78 2ckj h ARG 1307N -0.59 0.07 -1.02 2.37 9.65 -0.83 -2.53 114.38 121.50 2ckj h ARG 1307Ca -0.10 -0.00 0.27 0.00 -1.10 0.00 0.00 59.98 59.05 2ckj h ARG 1307Cb 1.42 -0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.86 2ckj h ARG 1307CO 0.10 0.04 0.61 -0.91 2.80 0.00 0.00 179.97 182.61 2ckj h ASN 1308N 0.07 0.60 -0.54 -3.80 2.35 -1.33 0.22 115.58 113.15 2ckj h ASN 1308Ca 0.03 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2ckj h ASN 1308Cb 0.01 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2ckj h ASN 1308CO -0.02 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 2ckj n ALA 1309N -2.34 2.41 -3.05 -0.83 0.00 -0.97 -4.60 120.51 111.14 2ckj n ALA 1309Ca 0.28 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 2ckj n ALA 1309Cb 0.83 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.33 2ckj n ALA 1309CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s VAL 1311N -2.62 3.54 -0.05 0.00 1.01 -1.26 -4.95 120.40 116.07 2ckj s VAL 1311Ca 0.31 1.03 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 2ckj s VAL 1311Cb 0.03 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 33.04 2ckj s VAL 1311CO 0.08 -0.14 1.20 -0.90 0.00 0.00 0.00 175.10 175.34 2ckj n ASP 1312N -0.80 -1.03 -0.14 3.32 5.68 -1.26 -4.51 116.55 117.81 2ckj n ASP 1312Ca 0.09 -1.14 -0.02 0.00 -0.50 0.00 0.00 54.79 53.21 2ckj n ASP 1312Cb 0.51 1.57 -0.01 0.00 -1.14 0.00 0.00 41.12 42.05 2ckj n ASP 1312CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ckj n LYS 1313N -0.87 -0.12 0.02 0.11 5.02 -1.26 -2.47 118.16 118.59 2ckj n LYS 1313Ca 0.05 0.54 -0.07 0.00 -2.02 0.00 0.00 58.31 56.81 2ckj n LYS 1313Cb 0.53 -0.81 -0.12 0.00 -0.02 0.00 0.00 35.03 34.61 2ckj n LYS 1313CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2ckj h PHE 1314N 0.00 0.00 -0.36 2.13 0.05 -1.98 -3.23 116.94 113.55 2ckj h PHE 1314Ca 0.09 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.82 2ckj h PHE 1314Cb 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 2ckj h PHE 1314CO -0.34 0.97 -0.01 1.79 -0.18 0.00 0.00 178.31 180.53 2ckj h THR 1315N 0.00 1.26 0.00 -1.55 1.35 -1.87 0.96 112.91 113.06 2ckj h THR 1315Ca -0.16 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2ckj h THR 1315Cb 1.88 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2ckj h THR 1315CO 0.10 0.34 0.05 0.74 -0.25 0.00 0.00 175.52 176.50 2ckj h THR 1316N 0.46 0.00 0.00 6.82 2.02 -1.63 -1.85 112.91 118.72 2ckj h THR 1316Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2ckj h THR 1316Cb 0.48 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2ckj h THR 1316CO 0.02 0.00 -0.40 0.18 0.37 0.00 0.00 175.52 175.69 2ckj n LEU 1317N -3.02 0.45 -0.02 2.58 4.77 0.33 -4.45 117.00 117.63 2ckj n LEU 1317Ca -0.03 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 2ckj n LEU 1317Cb 0.12 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2ckj n LEU 1317CO 0.19 0.05 -0.75 0.00 -1.33 0.00 0.00 177.39 175.55 2ckj n VAL 1319N -2.17 0.00 -3.37 0.00 3.14 -1.13 -4.86 118.33 109.94 2ckj n VAL 1319Ca -0.07 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.27 2ckj n VAL 1319Cb 0.54 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.26 2ckj n VAL 1319CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2ckj s THR 1320N 0.00 -0.79 0.00 1.55 2.01 -1.26 -5.17 115.64 111.99 2ckj s THR 1320Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2ckj s THR 1320Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2ckj s THR 1320CO 0.00 -0.03 0.00 1.87 -0.69 0.00 0.00 174.62 175.77