#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jki s THR 10 N 0.00 5.41 0.22 1.39 2.01 -1.26 -5.11 115.64 118.30 1jki s THR 10 Ca 0.00 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 1jki s THR 10 Cb 0.00 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1jki s THR 10 CO 0.00 0.28 0.61 -0.94 -0.69 0.00 0.00 174.62 173.88 1jki s SER 11 N -2.08 -0.33 -0.03 3.53 1.04 -1.26 -4.82 113.70 109.76 1jki s SER 11 Ca 0.29 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1jki s SER 11 Cb -0.13 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1jki s SER 11 CO 0.21 -1.15 -0.14 0.54 0.98 0.00 0.00 173.24 173.68 1jki s VAL 12 N -3.87 1.16 -0.27 5.02 0.11 -1.16 -5.03 120.40 116.36 1jki s VAL 12 Ca 0.08 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1jki s VAL 12 Cb -0.03 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1jki s VAL 12 CO -0.01 0.34 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.26 1jki s LYS 13 N -0.06 2.34 -0.39 1.54 2.47 -1.26 -4.98 119.74 119.40 1jki s LYS 13 Ca -0.00 -1.29 -0.14 0.00 -1.56 0.00 0.00 55.97 52.98 1jki s LYS 13 Cb -0.09 -2.95 0.02 0.00 -1.46 0.00 0.00 37.83 33.35 1jki s LYS 13 CO 0.01 -0.56 0.27 0.08 0.16 0.00 0.00 175.35 175.30 1jki s VAL 14 N 1.15 5.05 -0.32 4.02 1.01 -1.26 -5.03 120.40 125.03 1jki s VAL 14 Ca -0.07 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1jki s VAL 14 Cb -0.20 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1jki s VAL 14 CO -0.04 -0.26 2.21 -0.69 0.00 0.00 0.00 175.10 176.32 1jki s VAL 15 N 1.64 3.07 0.04 2.92 1.01 -1.26 -4.91 120.40 122.92 1jki s VAL 15 Ca 0.04 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1jki s VAL 15 Cb -0.19 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1jki s VAL 15 CO 0.09 -0.09 0.66 0.28 0.00 0.00 0.00 175.10 176.04 1jki s THR 16 N 9.22 0.00 -1.51 3.92 -1.32 -1.26 -5.02 115.64 119.67 1jki s THR 16 Ca 0.96 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.68 1jki s THR 16 Cb -0.27 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.75 1jki s THR 16 CO 0.32 0.00 1.26 -0.90 -2.21 0.00 0.00 174.62 173.09 1jki n ASP 17 N 0.30 1.19 0.00 8.08 5.68 -1.26 -4.12 116.55 126.42 1jki n ASP 17 Ca -0.18 -0.95 0.10 0.00 -0.50 0.00 0.00 54.79 53.26 1jki n ASP 17 Cb 0.61 0.44 0.46 0.00 -1.14 0.00 0.00 41.12 41.49 1jki n ASP 17 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jki n LYS 18 N -0.84 0.09 -4.10 0.11 5.02 -1.26 -4.75 118.16 112.43 1jki n LYS 18 Ca 0.08 0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 56.18 1jki n LYS 18 Cb 0.37 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.72 1jki n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jki s THR 20 N 1.35 0.93 -0.04 0.00 -4.23 0.74 -4.93 115.64 109.46 1jki s THR 20 Ca 0.05 -0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1jki s THR 20 Cb -0.13 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1jki s THR 20 CO -0.12 0.20 0.67 -0.31 -0.54 0.00 0.00 174.62 174.52 1jki s TYR 21 N -0.39 3.62 -0.24 3.99 1.51 -1.26 -1.08 117.35 123.51 1jki s TYR 21 Ca 0.04 1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 57.27 1jki s TYR 21 Cb -0.05 -2.74 0.12 0.00 -0.11 0.00 0.00 41.96 39.18 1jki s TYR 21 CO -0.00 0.18 0.47 0.21 -1.11 0.00 0.00 175.55 175.30 1jki s LYS 22 N 0.43 0.40 -1.35 -0.62 2.20 0.44 -4.96 119.74 116.28 1jki s LYS 22 Ca 0.35 1.02 -0.03 0.00 -0.36 0.00 0.00 55.97 56.95 1jki s LYS 22 Cb -0.18 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1jki s LYS 22 CO 0.18 -0.35 0.81 -0.25 -0.36 0.00 0.00 175.35 175.38 1jki n ASP 23 N 5.40 -2.26 -2.73 1.43 10.43 -1.26 -1.89 116.55 125.67 1jki n ASP 23 Ca -0.08 -0.78 -0.20 0.00 2.57 0.00 0.00 54.79 56.31 1jki n ASP 23 Cb 0.50 -4.15 0.04 0.00 1.84 0.00 0.00 41.12 39.35 1jki n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1jki n ASN 24 N -3.01 -5.59 -3.85 -2.24 5.15 -1.26 -4.96 115.26 99.50 1jki n ASN 24 Ca -0.21 -0.29 -0.18 0.00 -0.60 0.00 0.00 54.58 53.30 1jki n ASN 24 Cb 0.64 -4.39 -0.16 0.00 -0.53 0.00 0.00 39.78 35.34 1jki n ASN 24 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1jki s GLU 25 N -5.64 0.49 -0.16 1.20 2.02 -0.79 -1.89 118.70 113.92 1jki s GLU 25 Ca 0.30 0.00 -0.12 0.00 0.02 0.00 0.00 54.97 55.18 1jki s GLU 25 Cb -0.13 -0.60 -0.05 0.00 0.10 0.00 0.00 34.13 33.45 1jki s GLU 25 CO 0.38 -0.11 0.22 -1.17 0.02 0.00 0.00 175.26 174.60 1jki s LEU 26 N 0.94 4.26 -0.17 1.80 2.96 -0.46 -0.42 118.68 127.59 1jki s LEU 26 Ca -0.11 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1jki s LEU 26 Cb -0.14 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1jki s LEU 26 CO -0.01 0.18 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.26 1jki s LEU 27 N 0.19 2.31 -0.04 -0.68 1.43 -0.24 -1.04 118.68 120.61 1jki s LEU 27 Ca 0.13 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1jki s LEU 27 Cb -0.12 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1jki s LEU 27 CO 0.02 0.04 0.07 -0.89 0.23 0.00 0.00 176.35 175.82 1jki s THR 28 N 1.06 -0.09 0.18 5.49 2.01 0.43 -0.19 115.64 124.54 1jki s THR 28 Ca -0.01 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 1jki s THR 28 Cb -0.14 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 1jki s THR 28 CO -0.06 0.11 0.75 -0.54 -0.69 0.00 0.00 174.62 174.20 1jki s LYS 29 N 1.45 4.45 -0.15 4.92 1.02 0.16 0.06 119.74 131.64 1jki s LYS 29 Ca -0.05 1.05 -0.13 0.00 0.02 0.00 0.00 55.97 56.86 1jki s LYS 29 Cb -0.12 -3.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1jki s LYS 29 CO -0.04 0.52 0.39 -0.47 -0.92 0.00 0.00 175.35 174.82 1jki s TYR 30 N -1.27 -0.44 -0.32 3.18 5.04 -0.11 -4.91 117.35 118.53 1jki s TYR 30 Ca 0.38 1.06 -0.09 0.00 -2.44 0.00 0.00 57.07 55.97 1jki s TYR 30 Cb -0.21 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.26 1jki s TYR 30 CO 0.24 -0.22 0.15 0.45 -1.34 0.00 0.00 175.55 174.83 1jki s SER 31 N 0.33 5.50 -0.61 4.32 0.15 -1.26 -0.82 113.70 121.30 1jki s SER 31 Ca -0.01 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 55.75 1jki s SER 31 Cb -0.03 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.35 1jki s SER 31 CO -0.01 -0.23 0.97 -0.47 1.20 0.00 0.00 173.24 174.70 1jki s TYR 32 N 1.58 2.71 -0.34 3.44 6.14 0.02 -4.93 117.35 125.97 1jki s TYR 32 Ca 0.04 -0.29 -0.18 0.00 0.64 0.00 0.00 57.07 57.28 1jki s TYR 32 Cb -0.17 -4.20 -0.01 0.00 0.42 0.00 0.00 41.96 38.00 1jki s TYR 32 CO 0.06 -1.54 0.52 -1.21 0.64 0.00 0.00 175.55 174.02 1jki s GLU 33 N 4.09 3.69 0.00 4.97 2.02 -1.26 -1.57 118.70 130.64 1jki s GLU 33 Ca 0.26 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1jki s GLU 33 Cb -0.14 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1jki s GLU 33 CO 0.14 -0.60 0.00 -1.71 0.02 0.00 0.00 175.26 173.11 1jki n ASN 34 N 5.72 0.33 -3.64 -0.19 5.15 -1.14 -4.98 115.26 116.51 1jki n ASN 34 Ca -0.05 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.89 1jki n ASN 34 Cb 0.49 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.67 1jki n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jki s ALA 35 N -2.00 -2.17 0.15 5.20 0.00 -1.26 -1.83 121.76 119.84 1jki s ALA 35 Ca 0.00 2.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1jki s ALA 35 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1jki s ALA 35 CO 0.00 -0.28 0.33 0.08 0.00 0.00 0.00 175.76 175.88 1jki s VAL 36 N 0.78 5.26 -0.01 0.00 1.01 -0.99 -4.93 120.40 121.53 1jki s VAL 36 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1jki s VAL 36 Cb -0.04 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1jki s VAL 36 CO -0.11 -0.05 0.02 -0.69 0.00 0.00 0.00 175.10 174.26 1jki s VAL 37 N -1.72 -0.00 0.01 2.92 1.01 -1.26 -1.19 120.40 120.16 1jki s VAL 37 Ca 0.37 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1jki s VAL 37 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1jki s VAL 37 CO 0.28 0.00 -0.07 0.42 0.00 0.00 0.00 175.10 175.73 1jki s THR 38 N 0.07 0.56 -0.18 3.92 -4.23 -0.12 -4.98 115.64 110.68 1jki s THR 38 Ca -0.00 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1jki s THR 38 Cb -0.01 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 1jki s THR 38 CO -0.00 0.05 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.32 1jki s LYS 39 N -0.45 3.49 -0.01 3.99 2.20 -1.26 -0.47 119.74 127.22 1jki s LYS 39 Ca 0.00 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 1jki s LYS 39 Cb -0.04 -2.88 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1jki s LYS 39 CO -0.00 0.06 1.01 0.99 -0.36 0.00 0.00 175.35 177.05 1jki s THR 40 N 0.81 4.75 0.06 3.43 2.01 1.44 -4.85 115.64 123.28 1jki s THR 40 Ca -0.02 1.98 -0.06 0.00 0.31 0.00 0.00 61.69 63.90 1jki s THR 40 Cb -0.15 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.14 1jki s THR 40 CO 0.01 0.12 0.46 0.00 -0.69 0.00 0.00 174.62 174.53 1jki n ALA 41 N 4.13 -0.08 0.12 7.40 0.00 -1.26 0.82 120.51 131.64 1jki n ALA 41 Ca 0.07 0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.81 1jki n ALA 41 Cb 0.50 -0.11 0.06 0.00 0.00 0.00 0.00 19.45 19.90 1jki n ALA 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jki n SER 42 N -4.42 0.00 -0.06 0.00 3.41 -1.26 -4.72 113.62 106.56 1jki n SER 42 Ca 0.02 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1jki n SER 42 Cb 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1jki n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jki n GLY 43 N -0.95 0.95 3.69 5.00 0.00 4.51 -5.05 105.19 113.35 1jki n GLY 43 Ca 0.01 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1jki n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jki s ARG 44 N -2.99 4.16 -0.21 1.61 3.52 0.06 -4.83 118.95 120.27 1jki s ARG 44 Ca 0.00 -0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1jki s ARG 44 Cb 0.00 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1jki s ARG 44 CO 0.00 0.15 0.17 -0.06 -0.81 0.00 0.00 175.30 174.75 1jki s PHE 45 N 0.78 3.39 -0.26 5.12 0.40 -1.26 0.42 117.98 126.57 1jki s PHE 45 Ca 0.11 0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 56.70 1jki s PHE 45 Cb -0.13 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1jki s PHE 45 CO 0.03 0.21 0.12 -0.51 0.70 0.00 0.00 175.22 175.77 1jki s ASP 46 N 0.60 5.55 -0.25 1.36 1.01 0.38 -4.96 116.67 120.35 1jki s ASP 46 Ca 0.10 -0.10 -0.00 0.00 0.71 0.00 0.00 52.55 53.25 1jki s ASP 46 Cb -0.12 -2.01 0.04 0.00 1.01 0.00 0.00 42.92 41.83 1jki s ASP 46 CO 0.01 -0.03 -0.08 -0.69 0.21 0.00 0.00 175.17 174.59 1jki s VAL 47 N 1.61 2.65 -0.26 -1.27 1.01 -1.26 -0.95 120.40 121.93 1jki s VAL 47 Ca 0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1jki s VAL 47 Cb -0.15 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1jki s VAL 47 CO 0.07 0.12 -0.04 0.42 0.00 0.00 0.00 175.10 175.67 1jki s THR 48 N 1.25 3.03 0.82 3.92 -4.23 -0.33 -4.96 115.64 115.14 1jki s THR 48 Ca -0.03 -1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 59.34 1jki s THR 48 Cb -0.18 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1jki s THR 48 CO -0.05 0.16 0.74 -2.65 -0.54 0.00 0.00 174.62 172.28 1jki n PRO 49 N 4.69 0.07 -4.23 3.99 -0.02 -1.26 -2.36 135.00 135.88 1jki n PRO 49 Ca -0.16 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 1jki n PRO 49 Cb 0.47 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 1jki n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jki s THR 50 N -2.14 0.50 -0.28 3.45 2.01 -0.76 -4.83 115.64 113.58 1jki s THR 50 Ca 0.66 -1.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.45 1jki s THR 50 Cb -0.29 -2.23 0.12 0.00 0.01 0.00 0.00 72.50 70.12 1jki s THR 50 CO 0.58 -0.35 1.00 0.54 -0.69 0.00 0.00 174.62 175.69 1jki s VAL 51 N -3.78 0.00 -0.11 3.82 0.11 -1.25 -2.87 120.40 116.32 1jki s VAL 51 Ca 0.27 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1jki s VAL 51 Cb 0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1jki s VAL 51 CO 0.06 0.00 0.22 -1.58 -3.33 0.00 0.00 175.10 170.46 1jki s GLN 52 N 0.45 0.11 0.34 1.54 2.00 -0.61 -5.00 119.66 118.48 1jki s GLN 52 Ca 0.01 0.63 -0.04 0.00 -2.00 0.00 0.00 55.36 53.97 1jki s GLN 52 Cb -0.05 -0.14 -0.04 0.00 0.80 0.00 0.00 33.01 33.58 1jki s GLN 52 CO -0.08 -0.27 0.59 -0.51 -0.50 0.00 0.00 175.29 174.52 1jki s ASP 53 N 2.16 6.38 0.01 6.67 1.11 -1.26 -0.80 116.67 130.94 1jki s ASP 53 Ca 0.00 0.68 -0.05 0.00 0.18 0.00 0.00 52.55 53.36 1jki s ASP 53 Cb -0.12 -2.13 -0.01 0.00 1.07 0.00 0.00 42.92 41.74 1jki s ASP 53 CO -0.07 -0.28 0.08 -0.31 1.18 0.00 0.00 175.17 175.76 1jki s TYR 54 N -2.25 0.11 -0.11 4.23 1.51 -0.01 -1.26 117.35 119.57 1jki s TYR 54 Ca 0.43 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1jki s TYR 54 Cb -0.10 -0.09 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 1jki s TYR 54 CO 0.34 -0.24 -0.19 0.08 -1.11 0.00 0.00 175.55 174.42 1jki s VAL 55 N -1.33 2.46 -0.10 0.71 1.01 0.35 -0.93 120.40 122.57 1jki s VAL 55 Ca -0.14 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1jki s VAL 55 Cb -0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1jki s VAL 55 CO 0.01 0.54 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 1jki s PHE 56 N 0.37 3.09 -0.21 5.22 0.08 0.11 0.12 117.98 126.75 1jki s PHE 56 Ca -0.15 0.06 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1jki s PHE 56 Cb -0.17 -1.81 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1jki s PHE 56 CO 0.07 0.34 -0.15 0.21 -0.10 0.00 0.00 175.22 175.59 1jki s LYS 57 N -0.60 2.86 -0.37 0.44 2.20 0.23 -0.43 119.74 124.08 1jki s LYS 57 Ca 0.10 -0.93 -0.09 0.00 -0.36 0.00 0.00 55.97 54.68 1jki s LYS 57 Cb -0.12 -2.72 0.03 0.00 -1.51 0.00 0.00 37.83 33.51 1jki s LYS 57 CO 0.02 -0.30 0.18 -1.17 -0.36 0.00 0.00 175.35 173.71 1jki s LEU 58 N 1.27 4.61 -0.36 5.43 0.20 -0.20 -0.54 118.68 129.10 1jki s LEU 58 Ca 0.02 -1.07 -0.28 0.00 0.69 0.00 0.00 54.13 53.49 1jki s LEU 58 Cb -0.15 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 1jki s LEU 58 CO -0.10 -0.37 1.83 -0.62 -0.29 0.00 0.00 176.35 176.79 1jki s ASP 59 N 1.52 5.78 0.00 3.68 -1.08 0.24 -1.35 116.67 125.46 1jki s ASP 59 Ca 0.01 1.20 0.26 0.00 -0.52 0.00 0.00 52.55 53.50 1jki s ASP 59 Cb -0.19 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.17 1jki s ASP 59 CO 0.05 -1.81 1.89 0.18 0.52 0.00 0.00 175.17 176.00 1jki n LEU 60 N 10.70 0.00 -4.47 -1.34 4.77 -0.79 -4.69 117.00 121.18 1jki n LEU 60 Ca 0.23 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 1jki n LEU 60 Cb 0.47 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1jki n LEU 60 CO 0.69 -0.02 0.80 -1.59 -1.33 0.00 0.00 177.39 175.93 1jki s LYS 61 N -2.28 3.14 0.28 3.23 -2.85 -1.26 -4.92 119.74 115.08 1jki s LYS 61 Ca 0.32 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.97 54.34 1jki s LYS 61 Cb 0.18 -4.21 -0.09 0.00 -2.06 0.00 0.00 37.83 31.65 1jki s LYS 61 CO 0.34 -1.82 0.84 -1.59 0.10 0.00 0.00 175.35 173.23 1jki s LYS 62 N 4.24 4.43 0.33 1.78 -2.85 -1.26 -4.97 119.74 121.44 1jki s LYS 62 Ca 0.24 1.12 -0.27 0.00 -1.00 0.00 0.00 55.97 56.06 1jki s LYS 62 Cb -0.15 -2.83 -0.13 0.00 -2.06 0.00 0.00 37.83 32.65 1jki s LYS 62 CO 0.12 0.33 1.15 -0.35 0.10 0.00 0.00 175.35 176.70 1jki n PRO 63 N 0.63 1.74 0.24 1.78 -0.04 -1.26 -4.88 135.00 133.21 1jki n PRO 63 Ca 0.00 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1jki n PRO 63 Cb 0.51 -2.11 0.54 0.00 -0.04 0.00 0.00 33.50 32.39 1jki n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jki h GLU 64 N 2.20 0.00 -3.35 0.54 5.08 -1.96 -3.43 114.58 113.66 1jki h GLU 64 Ca -0.43 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.68 1jki h GLU 64 Cb 1.31 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.25 1jki h GLU 64 CO 0.61 0.18 -0.63 0.15 -1.00 0.00 0.00 179.01 178.32 1jki s LYS 65 N -3.74 0.07 -0.12 2.33 -0.14 -1.26 -4.89 119.74 111.98 1jki s LYS 65 Ca 0.00 0.30 0.01 0.00 -1.36 0.00 0.00 55.97 54.91 1jki s LYS 65 Cb 0.10 -0.16 -0.01 0.00 -1.68 0.00 0.00 37.83 36.08 1jki s LYS 65 CO 0.61 -0.14 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.74 1jki s LEU 66 N 0.99 2.63 0.14 3.17 0.20 -0.46 -4.67 118.68 120.67 1jki s LEU 66 Ca -0.08 -0.36 -0.30 0.00 0.69 0.00 0.00 54.13 54.09 1jki s LEU 66 Cb -0.10 -1.58 -0.07 0.00 -0.43 0.00 0.00 46.19 44.01 1jki s LEU 66 CO -0.04 0.17 0.98 -0.83 -0.29 0.00 0.00 176.35 176.34 1jki s GLY 67 N 0.31 2.99 -0.12 7.98 0.00 -0.02 -1.29 107.32 117.17 1jki s GLY 67 Ca -0.11 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 1jki s GLY 67 CO 0.06 1.46 -0.05 -0.42 0.00 0.00 0.00 173.10 174.15 1jki s ILE 68 N -0.19 0.88 -0.32 0.90 1.01 0.41 -0.60 121.20 123.29 1jki s ILE 68 Ca 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1jki s ILE 68 Cb -0.25 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.30 1jki s ILE 68 CO 0.31 0.28 0.04 -0.04 0.00 0.00 0.00 174.94 175.53 1jki s MET 69 N 1.76 2.41 -0.21 2.79 -1.94 -0.68 -0.22 119.30 123.21 1jki s MET 69 Ca 0.04 -1.32 -0.22 0.00 -1.71 0.00 0.00 55.69 52.48 1jki s MET 69 Cb -0.13 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.41 1jki s MET 69 CO -0.07 -0.68 0.70 -0.51 -0.01 0.00 0.00 175.02 174.44 1jki s LEU 70 N 1.27 4.13 -0.33 -0.03 1.02 -0.57 -1.61 118.68 122.56 1jki s LEU 70 Ca -0.03 0.91 -0.23 0.00 0.02 0.00 0.00 54.13 54.80 1jki s LEU 70 Cb -0.20 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.02 1jki s LEU 70 CO -0.01 -0.35 0.77 -0.63 0.02 0.00 0.00 176.35 176.16 1jki s ILE 71 N 2.18 4.78 0.00 -0.59 1.01 -0.54 -0.12 121.20 127.93 1jki s ILE 71 Ca 0.31 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1jki s ILE 71 Cb -0.16 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1jki s ILE 71 CO 0.10 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1jki n GLY 72 N 4.35 1.92 0.37 6.18 0.00 0.34 -0.09 105.19 118.26 1jki n GLY 72 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1jki n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jki h LEU 73 N 0.00 0.43 0.00 0.99 5.85 -0.56 -1.27 115.31 120.75 1jki h LEU 73 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jki h LEU 73 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1jki h LEU 73 CO 0.00 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 178.95 1jki n GLY 74 N -1.51 -0.88 0.00 3.75 0.00 -1.26 -2.96 105.19 102.33 1jki n GLY 74 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jki n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jki n GLY 75 N 0.62 -0.53 0.28 -0.02 0.00 -0.48 -4.76 105.19 100.30 1jki n GLY 75 Ca 0.16 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 1jki n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jki h ASN 76 N 0.00 0.86 -0.06 1.61 -0.26 -1.92 -2.55 115.58 113.26 1jki h ASN 76 Ca 0.00 -0.28 -0.10 0.00 -0.56 0.00 0.00 56.30 55.36 1jki h ASN 76 Cb 0.00 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1jki h ASN 76 CO 0.00 1.00 -0.34 0.78 -1.06 0.00 0.00 177.43 177.81 1jki h ASN 77 N 0.76 0.40 -0.21 5.81 -0.26 -1.90 0.19 115.58 120.36 1jki h ASN 77 Ca 0.12 -0.67 0.05 0.00 -0.56 0.00 0.00 56.30 55.23 1jki h ASN 77 Cb 0.67 -0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.74 1jki h ASN 77 CO 0.05 1.01 -0.46 1.23 -1.06 0.00 0.00 177.43 178.20 1jki h GLY 78 N -0.18 -0.77 0.92 2.83 0.00 -1.73 1.30 103.07 105.43 1jki h GLY 78 Ca -0.03 0.57 -0.09 0.00 0.00 0.00 0.00 47.33 47.78 1jki h GLY 78 CO 0.07 -0.20 -0.18 1.48 0.00 0.00 0.00 176.54 177.70 1jki h SER 79 N -0.47 0.65 0.46 0.19 4.64 -1.34 -1.58 113.55 116.11 1jki h SER 79 Ca 0.08 -0.43 -0.08 0.00 -0.47 0.00 0.00 61.79 60.88 1jki h SER 79 Cb 0.63 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1jki h SER 79 CO -0.46 0.94 -0.40 0.74 -0.87 0.00 0.00 176.83 176.78 1jki h THR 80 N 0.37 1.22 0.56 2.95 2.02 -0.31 0.50 112.91 120.22 1jki h THR 80 Ca 0.06 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 1jki h THR 80 Cb 0.72 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1jki h THR 80 CO 0.05 0.39 -0.48 0.25 0.37 0.00 0.00 175.52 176.11 1jki h LEU 81 N 0.00 -1.28 -0.70 2.58 7.12 0.25 -0.49 115.31 122.77 1jki h LEU 81 Ca -0.00 0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.20 1jki h LEU 81 Cb 0.74 0.41 -0.08 0.00 -0.53 0.00 0.00 40.66 41.21 1jki h LEU 81 CO 0.05 -0.66 0.33 0.58 -0.13 0.00 0.00 178.44 178.61 1jki h VAL 82 N -1.02 0.80 -0.99 1.05 2.07 -1.26 0.25 116.25 117.17 1jki h VAL 82 Ca -0.07 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1jki h VAL 82 Cb 0.86 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1jki h VAL 82 CO -0.01 0.10 0.64 0.00 0.02 0.00 0.00 177.57 178.32 1jki h ALA 83 N 1.45 1.39 -0.17 1.67 0.00 -0.73 -1.28 119.26 121.59 1jki h ALA 83 Ca 0.36 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 1jki h ALA 83 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jki h ALA 83 CO -0.30 0.48 -0.71 0.66 0.00 0.00 0.00 179.25 179.39 1jki h SER 84 N 1.20 0.85 0.80 0.00 4.64 0.72 0.37 113.55 122.13 1jki h SER 84 Ca 0.41 -0.53 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1jki h SER 84 Cb 0.09 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1jki h SER 84 CO -0.15 1.31 -0.38 0.58 -0.87 0.00 0.00 176.83 177.32 1jki h VAL 85 N 0.52 0.21 -0.78 0.95 2.07 -1.03 0.11 116.25 118.30 1jki h VAL 85 Ca -0.03 -0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1jki h VAL 85 Cb 1.32 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 1jki h VAL 85 CO 0.14 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.91 1jki h LEU 86 N -1.08 0.12 -0.12 2.57 4.07 -1.28 0.29 115.31 119.88 1jki h LEU 86 Ca -0.11 0.15 -0.20 0.00 0.08 0.00 0.00 57.88 57.79 1jki h LEU 86 Cb 0.82 0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.75 1jki h LEU 86 CO 0.18 -0.02 -0.72 0.00 -1.08 0.00 0.00 178.44 176.81 1jki h ALA 87 N 1.64 0.24 -0.08 1.53 0.00 -0.80 -2.10 119.26 119.69 1jki h ALA 87 Ca 0.45 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1jki h ALA 87 Cb 0.79 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jki h ALA 87 CO -0.51 0.58 -0.70 -0.91 0.00 0.00 0.00 179.25 177.70 1jki h ASN 88 N 0.37 0.75 -0.88 0.00 4.21 -0.16 -1.42 115.58 118.45 1jki h ASN 88 Ca -0.06 -0.68 0.11 0.00 1.21 0.00 0.00 56.30 56.88 1jki h ASN 88 Cb 1.36 -0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 38.27 1jki h ASN 88 CO 0.15 1.32 0.57 0.50 -1.29 0.00 0.00 177.43 178.67 1jki h LYS 89 N 0.25 0.80 -0.43 0.81 3.64 -0.38 -2.70 116.57 118.57 1jki h LYS 89 Ca -0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1jki h LYS 89 Cb 1.36 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1jki h LYS 89 CO 0.14 0.53 0.00 0.72 -2.27 0.00 0.00 179.45 178.57 1jki n HIS 90 N -4.54 1.43 -4.28 1.91 8.25 -0.80 -4.95 115.22 112.24 1jki n HIS 90 Ca 0.15 -0.78 -0.33 0.00 -0.26 0.00 0.00 57.72 56.50 1jki n HIS 90 Cb 0.34 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1jki n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jki n ASN 91 N 0.13 0.24 -4.55 0.41 3.02 -1.02 -4.85 115.26 108.64 1jki n ASN 91 Ca 0.24 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 1jki n ASN 91 Cb 1.00 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 1jki n ASN 91 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jki s VAL 92 N -4.26 4.10 0.83 2.41 -7.23 -0.57 -4.94 120.40 110.74 1jki s VAL 92 Ca 0.07 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.92 1jki s VAL 92 Cb -0.04 -5.06 0.09 0.00 0.56 0.00 0.00 36.38 31.94 1jki s VAL 92 CO 1.00 -1.90 1.20 -1.83 -0.31 0.00 0.00 175.10 173.25 1jki s GLU 93 N 4.42 1.52 -0.03 4.82 -1.05 -1.26 -4.47 118.70 122.66 1jki s GLU 93 Ca 0.46 1.72 -0.15 0.00 -0.15 0.00 0.00 54.97 56.86 1jki s GLU 93 Cb 0.00 -1.77 0.02 0.00 -0.44 0.00 0.00 34.13 31.95 1jki s GLU 93 CO -0.05 -2.29 0.32 -0.59 0.95 0.00 0.00 175.26 173.59 1jki s PHE 94 N -2.23 -0.21 0.30 4.83 -0.71 -1.00 -4.97 117.98 113.99 1jki s PHE 94 Ca 0.72 0.36 -0.12 0.00 -1.04 0.00 0.00 56.93 56.85 1jki s PHE 94 Cb -0.28 0.10 -0.08 0.00 -1.21 0.00 0.00 43.02 41.56 1jki s PHE 94 CO 0.52 -0.36 0.67 -0.65 -1.34 0.00 0.00 175.22 174.05 1jki s GLN 95 N -1.12 3.88 0.28 1.99 -1.52 -1.26 -0.42 119.66 121.49 1jki s GLN 95 Ca -0.12 0.47 -0.12 0.00 -1.95 0.00 0.00 55.36 53.64 1jki s GLN 95 Cb -0.05 -2.51 0.01 0.00 -0.22 0.00 0.00 33.01 30.24 1jki s GLN 95 CO 0.04 0.19 0.54 0.99 -0.25 0.00 0.00 175.29 176.79 1jki s THR 96 N -1.99 0.00 0.41 -0.19 2.01 0.41 -4.53 115.64 111.77 1jki s THR 96 Ca 0.51 -1.36 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1jki s THR 96 Cb -0.11 -2.34 0.27 0.00 0.01 0.00 0.00 72.50 70.33 1jki s THR 96 CO 0.21 0.00 2.05 0.11 -0.69 0.00 0.00 174.62 176.31 1jki h LYS 97 N 2.18 0.54 -0.19 4.92 1.57 -2.03 0.94 116.57 124.50 1jki h LYS 97 Ca -0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1jki h LYS 97 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1jki h LYS 97 CO 0.35 0.36 0.00 0.39 -0.57 0.00 0.00 179.45 179.98 1jki n GLU 98 N -4.47 1.58 0.00 3.15 4.71 -1.26 -5.00 120.64 119.34 1jki n GLU 98 Ca 0.04 -0.89 0.00 0.00 -0.01 0.00 0.00 57.16 56.30 1jki n GLU 98 Cb 0.08 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1jki n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jki n GLY 99 N 1.00 0.15 3.65 0.62 0.00 0.33 -4.99 105.19 105.94 1jki n GLY 99 Ca 0.13 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1jki n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jki s VAL 100 N 0.00 5.01 -0.06 1.61 0.11 -1.26 0.16 120.40 125.96 1jki s VAL 100 Ca 0.00 1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 60.19 1jki s VAL 100 Cb 0.00 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1jki s VAL 100 CO 0.00 0.08 0.01 -0.54 -3.33 0.00 0.00 175.10 171.32 1jki s LYS 101 N 2.15 2.95 0.13 1.54 -0.14 0.44 -4.92 119.74 121.89 1jki s LYS 101 Ca 0.27 -0.46 -0.22 0.00 -1.36 0.00 0.00 55.97 54.20 1jki s LYS 101 Cb -0.16 -2.77 -0.07 0.00 -1.68 0.00 0.00 37.83 33.15 1jki s LYS 101 CO 0.09 0.68 0.69 -0.65 -0.76 0.00 0.00 175.35 175.40 1jki s GLN 102 N -1.12 4.39 0.75 1.68 -1.52 -1.26 -2.37 119.66 120.22 1jki s GLN 102 Ca 0.16 0.96 -0.13 0.00 -1.95 0.00 0.00 55.36 54.39 1jki s GLN 102 Cb -0.11 -3.22 0.05 0.00 -0.22 0.00 0.00 33.01 29.51 1jki s GLN 102 CO 0.05 0.59 1.14 -2.14 -0.25 0.00 0.00 175.29 174.68 1jki s PRO 103 N -1.21 2.15 0.36 2.91 0.02 -1.26 -5.01 135.00 132.96 1jki s PRO 103 Ca 0.34 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 1jki s PRO 103 Cb -0.21 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.49 1jki s PRO 103 CO 0.23 -1.77 0.69 0.27 -0.33 0.00 0.00 177.00 176.09 1jki n ASN 104 N -3.12 -2.00 -1.16 2.53 2.04 -1.26 -4.96 115.26 107.33 1jki n ASN 104 Ca 0.11 -2.52 -0.04 0.00 -0.44 0.00 0.00 54.58 51.69 1jki n ASN 104 Cb 0.52 3.37 0.14 0.00 -2.53 0.00 0.00 39.78 41.27 1jki n ASN 104 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1jki n TYR 105 N -0.50 0.96 -1.58 -2.53 4.01 -1.26 -4.91 117.16 111.35 1jki n TYR 105 Ca -0.07 -1.72 -0.43 0.00 -0.16 0.00 0.00 57.90 55.52 1jki n TYR 105 Cb 0.55 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1jki n TYR 105 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jki n PHE 106 N -0.91 1.01 -0.13 -0.72 0.99 -1.26 -1.27 117.46 115.16 1jki n PHE 106 Ca 0.27 0.62 0.00 0.00 -0.00 0.00 0.00 57.45 58.34 1jki n PHE 106 Cb 0.80 -2.21 0.00 0.00 -1.00 0.00 0.00 39.48 37.08 1jki n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jki n GLY 107 N 1.27 0.61 3.69 1.37 0.00 -1.26 -4.79 105.19 106.07 1jki n GLY 107 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1jki n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jki s SER 108 N -2.78 6.41 0.02 1.61 0.15 -0.40 -4.40 113.70 114.30 1jki s SER 108 Ca 0.00 0.48 -0.22 0.00 0.70 0.00 0.00 55.95 56.92 1jki s SER 108 Cb 0.00 -2.21 -0.17 0.00 -1.71 0.00 0.00 66.02 61.94 1jki s SER 108 CO 0.00 -0.00 1.27 -0.03 1.20 0.00 0.00 173.24 175.68 1jki h MET 109 N 7.14 0.29 -0.54 5.44 4.05 -1.89 0.05 114.93 129.48 1jki h MET 109 Ca -0.38 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 58.85 1jki h MET 109 Cb 1.16 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.96 1jki h MET 109 CO 0.72 0.76 0.31 1.79 0.23 0.00 0.00 176.91 180.72 1jki h THR 110 N -0.15 1.16 0.00 -0.77 1.35 -1.93 -2.47 112.91 110.11 1jki h THR 110 Ca 0.01 -0.38 -0.21 0.00 -0.55 0.00 0.00 66.41 65.28 1jki h THR 110 Cb 0.74 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.53 1jki h THR 110 CO 0.04 0.17 -1.96 0.00 -0.25 0.00 0.00 175.52 173.52 1jki n GLN 111 N -4.41 0.66 0.00 4.72 1.13 -1.23 -3.62 117.38 114.62 1jki n GLN 111 Ca 0.05 0.03 0.02 0.00 -1.94 0.00 0.00 57.00 55.16 1jki n GLN 111 Cb 0.09 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 28.80 1jki n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jki s SER 113 N -1.10 6.39 0.46 0.00 1.04 -0.93 -4.99 113.70 114.57 1jki s SER 113 Ca 0.02 0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1jki s SER 113 Cb 0.03 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 64.17 1jki s SER 113 CO 0.13 0.02 0.52 0.42 0.98 0.00 0.00 173.24 175.32 1jki s THR 114 N -1.76 2.55 -0.06 2.02 -4.23 -1.26 -1.33 115.64 111.57 1jki s THR 114 Ca 0.38 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1jki s THR 114 Cb -0.11 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1jki s THR 114 CO 0.28 0.00 0.16 -0.76 -0.54 0.00 0.00 174.62 173.76 1jki s LEU 115 N -4.32 1.28 -0.10 4.79 1.43 0.62 -4.70 118.68 117.68 1jki s LEU 115 Ca 0.51 0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 1jki s LEU 115 Cb -0.06 0.51 -0.02 0.00 0.03 0.00 0.00 46.19 46.66 1jki s LEU 115 CO 0.31 -0.07 1.07 -0.75 0.23 0.00 0.00 176.35 177.14 1jki s LYS 116 N 0.27 4.39 -0.16 1.70 2.20 -1.26 -0.88 119.74 126.00 1jki s LYS 116 Ca -0.02 1.48 0.02 0.00 -0.36 0.00 0.00 55.97 57.09 1jki s LYS 116 Cb -0.03 -3.56 -0.23 0.00 -1.51 0.00 0.00 37.83 32.51 1jki s LYS 116 CO -0.01 -0.38 0.20 1.28 -0.36 0.00 0.00 175.35 176.08 1jki n LEU 117 N 5.17 2.13 0.00 5.43 4.77 -0.58 -4.97 117.00 128.95 1jki n LEU 117 Ca 0.10 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1jki n LEU 117 Cb 0.48 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1jki n LEU 117 CO 0.53 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 1jki n GLY 118 N 1.98 -0.79 3.58 -0.72 0.00 -1.22 -5.03 105.19 102.99 1jki n GLY 118 Ca -0.34 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 1jki n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jki s ILE 119 N -4.00 1.78 0.20 -0.61 -4.36 -1.26 -0.49 121.20 112.47 1jki s ILE 119 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1jki s ILE 119 Cb 0.00 -2.93 0.02 0.00 1.25 0.00 0.00 42.46 40.80 1jki s ILE 119 CO 0.00 0.00 0.15 -0.90 0.24 0.00 0.00 174.94 174.43 1jki n ASP 120 N -0.91 1.62 -0.35 4.36 5.75 -1.03 -4.81 116.55 121.19 1jki n ASP 120 Ca -0.05 -1.69 -0.06 0.00 -0.01 0.00 0.00 54.79 52.99 1jki n ASP 120 Cb 0.67 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 1jki n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jki n ALA 121 N -2.59 -0.35 -2.70 2.12 0.00 -1.26 -3.82 120.51 111.92 1jki n ALA 121 Ca -0.06 0.78 -0.39 0.00 0.00 0.00 0.00 53.44 53.77 1jki n ALA 121 Cb 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1jki n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jki s GLU 122 N -5.60 4.30 0.00 0.00 1.03 -1.26 -4.86 118.70 112.31 1jki s GLU 122 Ca -0.11 0.51 0.00 0.00 0.03 0.00 0.00 54.97 55.40 1jki s GLU 122 Cb 0.13 -3.48 0.00 0.00 -0.80 0.00 0.00 34.13 29.98 1jki s GLU 122 CO 0.57 0.03 0.00 0.41 -1.33 0.00 0.00 175.26 174.93 1jki n GLY 123 N 3.46 0.00 3.58 -3.83 0.00 -1.25 -4.62 105.19 102.54 1jki n GLY 123 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jki n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jki s ASN 124 N 0.00 6.38 0.06 1.61 0.02 -1.26 -4.73 114.94 117.02 1jki s ASN 124 Ca 0.00 0.29 -0.17 0.00 -1.02 0.00 0.00 52.86 51.96 1jki s ASN 124 Cb 0.00 -2.55 -0.09 0.00 0.02 0.00 0.00 41.25 38.63 1jki s ASN 124 CO 0.00 -1.50 0.39 0.47 0.02 0.00 0.00 177.10 176.49 1jki n ASP 125 N 8.68 -0.36 -4.15 -1.22 10.43 -1.26 -2.46 116.55 126.20 1jki n ASP 125 Ca 0.11 0.59 -0.31 0.00 2.57 0.00 0.00 54.79 57.75 1jki n ASP 125 Cb 0.49 -0.48 -0.17 0.00 1.84 0.00 0.00 41.12 42.80 1jki n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1jki s VAL 126 N -0.29 1.91 0.14 2.53 1.01 0.36 -4.83 120.40 121.24 1jki s VAL 126 Ca 0.39 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1jki s VAL 126 Cb -0.56 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1jki s VAL 126 CO 0.29 0.52 -0.06 -0.31 0.00 0.00 0.00 175.10 175.55 1jki s TYR 127 N 0.76 2.77 0.08 5.22 1.51 -1.26 -1.53 117.35 124.90 1jki s TYR 127 Ca -0.09 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1jki s TYR 127 Cb -0.16 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1jki s TYR 127 CO 0.00 0.48 -0.04 0.00 -1.11 0.00 0.00 175.55 174.88 1jki s ALA 128 N -1.50 0.78 0.34 3.71 0.00 -0.06 -4.89 121.76 120.13 1jki s ALA 128 Ca 0.25 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1jki s ALA 128 Cb -0.10 0.25 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 1jki s ALA 128 CO 0.16 -0.31 1.43 -2.14 0.00 0.00 0.00 175.76 174.90 1jki s PRO 129 N -3.88 4.22 0.57 0.00 0.02 -1.26 -0.27 135.00 134.39 1jki s PRO 129 Ca 0.11 2.41 0.27 0.00 0.02 0.00 0.00 61.00 63.81 1jki s PRO 129 Cb 0.07 -3.03 1.58 0.00 0.02 0.00 0.00 34.50 33.13 1jki s PRO 129 CO -0.07 -0.41 2.07 0.35 -0.33 0.00 0.00 177.00 178.62 1jki h PHE 130 N 3.57 0.00 -0.52 6.54 3.57 -1.45 0.81 116.94 129.46 1jki h PHE 130 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1jki h PHE 130 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1jki h PHE 130 CO 0.55 0.00 0.00 0.27 -2.23 0.00 0.00 178.31 176.90 1jki n ASN 131 N -3.94 4.47 -0.97 0.41 6.94 -1.24 -4.34 115.26 116.58 1jki n ASN 131 Ca 0.03 -2.57 0.12 0.00 -0.02 0.00 0.00 54.58 52.14 1jki n ASN 131 Cb 0.37 -0.54 0.11 0.00 -2.36 0.00 0.00 39.78 37.37 1jki n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jki n SER 132 N 0.64 3.04 -0.03 0.53 3.41 0.28 -4.57 113.62 116.91 1jki n SER 132 Ca 0.23 -1.99 -0.08 0.00 -0.26 0.00 0.00 58.87 56.77 1jki n SER 132 Cb 0.87 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 1jki n SER 132 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jki h LEU 133 N 4.64 -0.04 -8.63 1.04 4.07 -1.76 -3.08 115.31 111.55 1jki h LEU 133 Ca 0.00 -0.49 -0.37 0.00 0.08 0.00 0.00 57.88 57.10 1jki h LEU 133 Cb 0.99 0.01 -0.16 0.00 1.08 0.00 0.00 40.66 42.58 1jki h LEU 133 CO 0.00 0.67 -0.74 -0.76 -1.08 0.00 0.00 178.44 176.54 1jki s LEU 134 N -8.52 2.47 -0.01 1.67 1.43 -1.26 -4.55 118.68 109.91 1jki s LEU 134 Ca -0.11 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 1jki s LEU 134 Cb -0.01 -0.45 -0.08 0.00 0.03 0.00 0.00 46.19 45.68 1jki s LEU 134 CO 0.39 -0.23 1.97 -2.16 0.23 0.00 0.00 176.35 176.54 1jki s PRO 135 N -3.18 4.01 0.06 1.29 0.04 -1.26 -4.92 135.00 131.05 1jki s PRO 135 Ca 0.13 2.49 0.07 0.00 0.04 0.00 0.00 61.00 63.72 1jki s PRO 135 Cb -0.01 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 1jki s PRO 135 CO 0.02 -1.10 -0.19 -1.64 0.04 0.00 0.00 177.00 174.13 1jki s MET 136 N 4.67 1.17 0.10 4.56 -1.94 -1.26 -4.93 119.30 121.67 1jki s MET 136 Ca 0.88 -0.97 -0.31 0.00 -1.71 0.00 0.00 55.69 53.58 1jki s MET 136 Cb -0.40 -1.31 -0.08 0.00 2.01 0.00 0.00 34.83 35.06 1jki s MET 136 CO 0.39 0.32 1.38 0.54 -0.01 0.00 0.00 175.02 177.65 1jki s VAL 137 N -0.95 3.39 0.16 -6.03 0.11 -1.26 -4.99 120.40 110.82 1jki s VAL 137 Ca 0.05 0.98 -0.30 0.00 -2.93 0.00 0.00 61.98 59.78 1jki s VAL 137 Cb -0.09 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 31.06 1jki s VAL 137 CO 0.02 0.07 0.95 -0.55 -3.33 0.00 0.00 175.10 172.26 1jki s SER 138 N 1.21 7.56 0.64 3.54 0.15 -1.26 -4.87 113.70 120.68 1jki s SER 138 Ca 0.64 1.85 0.43 0.00 0.70 0.00 0.00 55.95 59.57 1jki s SER 138 Cb -0.36 -2.60 2.29 0.00 -1.71 0.00 0.00 66.02 63.64 1jki s SER 138 CO 0.30 0.03 2.31 1.55 1.20 0.00 0.00 173.24 178.63 1jki h PRO 139 N 5.01 0.00 0.00 5.44 0.13 -1.94 -0.05 132.00 140.59 1jki h PRO 139 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jki h PRO 139 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jki h PRO 139 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1jki n ASN 140 N -3.05 0.00 -0.27 1.44 5.03 -1.26 -1.96 115.26 115.19 1jki n ASN 140 Ca -0.03 0.20 0.02 0.00 0.87 0.00 0.00 54.58 55.65 1jki n ASN 140 Cb 0.09 -0.22 0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1jki n ASN 140 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jki n ASP 141 N -1.22 2.38 -4.81 6.41 10.43 -0.03 -4.85 116.55 124.85 1jki n ASP 141 Ca 0.01 -1.99 -0.33 0.00 2.57 0.00 0.00 54.79 55.05 1jki n ASP 141 Cb 0.01 -0.10 -0.03 0.00 1.84 0.00 0.00 41.12 42.84 1jki n ASP 141 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1jki s PHE 142 N -0.99 3.16 -0.14 1.24 2.99 -0.83 -1.36 117.98 122.06 1jki s PHE 142 Ca 0.10 1.54 -0.01 0.00 0.00 0.00 0.00 56.93 58.57 1jki s PHE 142 Cb 0.05 -2.94 0.03 0.00 0.00 0.00 0.00 43.02 40.16 1jki s PHE 142 CO 0.07 -0.63 -0.05 0.08 -0.00 0.00 0.00 175.22 174.68 1jki s VAL 143 N -2.27 0.98 -0.09 -0.44 1.01 -0.41 -4.89 120.40 114.29 1jki s VAL 143 Ca 0.63 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1jki s VAL 143 Cb -0.13 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1jki s VAL 143 CO 0.25 0.23 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1jki s VAL 144 N 1.71 2.86 0.00 2.92 1.01 -1.26 -0.44 120.40 127.20 1jki s VAL 144 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1jki s VAL 144 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1jki s VAL 144 CO -0.08 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.34 1jki n SER 145 N 3.08 0.00 0.00 3.32 2.88 0.69 -4.99 113.62 118.61 1jki n SER 145 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1jki n SER 145 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1jki n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jki n GLY 146 N 0.00 -0.67 3.41 0.46 0.00 -1.26 -1.51 105.19 105.62 1jki n GLY 146 Ca 0.00 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 1jki n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jki s TRP 147 N -2.60 1.90 -0.29 1.61 0.51 0.83 -1.39 118.94 119.51 1jki s TRP 147 Ca 0.00 -0.64 -0.16 0.00 -2.12 0.00 0.00 56.10 53.19 1jki s TRP 147 Cb 0.00 -1.01 0.15 0.00 -0.81 0.00 0.00 33.47 31.79 1jki s TRP 147 CO 0.00 0.33 0.96 0.34 -0.51 0.00 0.00 176.95 178.07 1jki s ASP 148 N -3.41 -0.56 0.00 2.95 2.15 -0.74 -0.24 116.67 116.82 1jki s ASP 148 Ca 0.27 0.86 0.01 0.00 0.43 0.00 0.00 52.55 54.12 1jki s ASP 148 Cb 0.02 1.37 0.04 0.00 -0.30 0.00 0.00 42.92 44.04 1jki s ASP 148 CO 0.11 -0.13 0.42 2.30 -0.17 0.00 0.00 175.17 177.69 1jki n ILE 149 N 4.11 0.00 -4.34 4.11 -5.35 -1.26 -4.03 119.36 112.59 1jki n ILE 149 Ca -0.16 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.08 1jki n ILE 149 Cb 0.56 -0.86 -0.17 0.00 -1.74 0.00 0.00 39.64 37.44 1jki n ILE 149 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jki s ASN 150 N -1.99 1.76 0.00 7.28 2.47 -1.25 -0.52 114.94 122.70 1jki s ASN 150 Ca 0.01 -0.27 0.19 0.00 0.42 0.00 0.00 52.86 53.21 1jki s ASN 150 Cb 0.00 -0.77 1.14 0.00 -1.45 0.00 0.00 41.25 40.18 1jki s ASN 150 CO 0.01 -0.02 1.57 -0.46 -3.72 0.00 0.00 177.10 174.47 1jki n ASN 151 N 4.15 0.00 -4.70 -4.21 0.23 -1.26 -4.82 115.26 104.65 1jki n ASN 151 Ca -0.20 -0.81 -0.40 0.00 -0.53 0.00 0.00 54.58 52.64 1jki n ASN 151 Cb 0.51 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.23 1jki n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jki n ALA 152 N -0.93 1.30 -1.72 -2.53 0.00 -1.26 -4.72 120.51 110.65 1jki n ALA 152 Ca 0.14 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 1jki n ALA 152 Cb 0.07 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.36 1jki n ALA 152 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jki s ASP 153 N -0.65 3.95 0.49 0.00 -4.77 -1.26 -4.35 116.67 110.08 1jki s ASP 153 Ca 0.64 0.85 0.29 0.00 -3.30 0.00 0.00 52.55 51.03 1jki s ASP 153 Cb -0.48 -1.37 1.00 0.00 -1.09 0.00 0.00 42.92 40.98 1jki s ASP 153 CO 0.56 -2.26 1.85 -0.07 0.70 0.00 0.00 175.17 175.94 1jki h LEU 154 N -1.30 0.00 -0.23 2.11 4.07 -1.17 0.24 115.31 119.03 1jki h LEU 154 Ca -0.48 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.36 1jki h LEU 154 Cb 1.33 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.07 1jki h LEU 154 CO 0.63 0.07 -0.31 0.22 -1.08 0.00 0.00 178.44 177.97 1jki h TYR 155 N 0.00 0.76 -0.33 1.13 3.20 -1.81 -0.49 116.97 119.43 1jki h TYR 155 Ca -0.00 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.57 1jki h TYR 155 Cb 0.70 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1jki h TYR 155 CO 0.00 0.98 -0.01 0.93 -1.64 0.00 0.00 178.16 178.42 1jki h GLU 156 N 0.32 0.52 -0.37 1.82 5.08 -1.70 -1.01 114.58 119.25 1jki h GLU 156 Ca 0.03 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1jki h GLU 156 Cb 0.89 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1jki h GLU 156 CO 0.07 0.55 -0.24 0.00 -1.00 0.00 0.00 179.01 178.39 1jki h ALA 157 N 1.50 0.53 -0.52 3.43 0.00 -0.92 -0.16 119.26 123.12 1jki h ALA 157 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1jki h ALA 157 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jki h ALA 157 CO 0.01 0.52 0.10 0.52 0.00 0.00 0.00 179.25 180.40 1jki h MET 158 N 0.61 0.80 0.59 0.00 2.86 0.00 -1.52 114.93 118.27 1jki h MET 158 Ca 0.07 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1jki h MET 158 Cb 0.81 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.36 1jki h MET 158 CO 0.07 0.73 -0.28 1.96 1.06 0.00 0.00 176.91 180.45 1jki h GLN 159 N 0.77 -0.76 -0.19 1.72 4.20 -0.76 -2.05 115.11 118.04 1jki h GLN 159 Ca 0.17 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 1jki h GLN 159 Cb 0.31 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1jki h GLN 159 CO 0.00 -0.49 0.10 -0.09 -0.67 0.00 0.00 178.83 177.68 1jki h ARG 160 N -0.82 0.25 -0.05 1.46 2.43 -0.87 -3.05 114.38 113.73 1jki h ARG 160 Ca -0.08 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.86 1jki h ARG 160 Cb 0.62 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1jki h ARG 160 CO 0.13 0.18 -0.84 0.77 -1.51 0.00 0.00 179.97 178.71 1jki h SER 161 N 0.25 0.55 -4.82 -3.80 0.02 -0.69 -3.47 113.55 101.59 1jki h SER 161 Ca 0.07 -0.40 -0.40 0.00 -0.84 0.00 0.00 61.79 60.22 1jki h SER 161 Cb 0.01 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.40 1jki h SER 161 CO -0.01 1.17 -0.59 0.00 -1.14 0.00 0.00 176.83 176.26 1jki n GLN 162 N -3.80 -4.52 -0.07 3.45 6.02 -0.83 -4.56 117.38 113.07 1jki n GLN 162 Ca -0.06 0.77 -0.13 0.00 -0.01 0.00 0.00 57.00 57.57 1jki n GLN 162 Cb 0.77 -5.59 -0.10 0.00 1.02 0.00 0.00 30.24 26.33 1jki n GLN 162 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1jki h VAL 163 N -1.29 1.30 -3.10 5.09 2.07 -1.90 -3.45 116.25 114.98 1jki h VAL 163 Ca -0.50 -2.07 -0.51 0.00 0.82 0.00 0.00 66.70 64.44 1jki h VAL 163 Cb 1.34 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1jki h VAL 163 CO 0.56 0.44 -0.17 -0.76 0.02 0.00 0.00 177.57 177.66 1jki s LEU 164 N -8.20 4.07 0.30 2.57 2.01 -1.26 -5.03 118.68 113.14 1jki s LEU 164 Ca -0.18 0.63 -0.26 0.00 0.01 0.00 0.00 54.13 54.33 1jki s LEU 164 Cb -0.01 -3.45 -0.15 0.00 0.01 0.00 0.00 46.19 42.60 1jki s LEU 164 CO 0.55 -0.19 0.69 -0.62 1.01 0.00 0.00 176.35 177.79 1jki n GLU 165 N -1.03 0.65 -0.37 1.70 -0.58 -1.26 -4.70 120.64 115.05 1jki n GLU 165 Ca -0.03 0.23 -0.01 0.00 -0.42 0.00 0.00 57.16 56.94 1jki n GLU 165 Cb 0.54 -1.44 0.13 0.00 -0.57 0.00 0.00 31.44 30.10 1jki n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1jki h TYR 166 N 1.27 1.24 -0.69 -0.32 3.20 -1.96 -0.26 116.97 119.45 1jki h TYR 166 Ca -0.36 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.51 1jki h TYR 166 Cb 1.39 -0.42 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 1jki h TYR 166 CO 0.42 0.75 0.29 0.22 -1.64 0.00 0.00 178.16 178.20 1jki h ASP 167 N 1.30 0.94 0.17 -2.11 -0.00 -1.90 -1.87 116.42 112.95 1jki h ASP 167 Ca 0.38 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.03 57.24 1jki h ASP 167 Cb -0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.01 1jki h ASP 167 CO -0.10 0.84 -0.08 0.25 -0.00 0.00 0.00 179.24 180.15 1jki h LEU 168 N 0.98 -0.19 -1.23 2.28 5.85 -1.78 0.39 115.31 121.60 1jki h LEU 168 Ca 0.23 -0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.04 1jki h LEU 168 Cb 0.18 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1jki h LEU 168 CO -0.02 -0.01 0.61 1.56 -0.34 0.00 0.00 178.44 180.24 1jki h GLN 169 N -0.37 0.61 -0.30 1.25 4.20 -0.66 -2.67 115.11 117.18 1jki h GLN 169 Ca -0.02 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1jki h GLN 169 Cb 0.29 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1jki h GLN 169 CO 0.04 0.40 -0.32 1.96 -0.67 0.00 0.00 178.83 180.24 1jki h GLN 170 N 0.62 0.74 0.00 1.46 1.08 0.46 -0.82 115.11 118.65 1jki h GLN 170 Ca 0.52 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1jki h GLN 170 Cb 0.99 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1jki h GLN 170 CO -0.28 1.02 -0.08 0.00 -0.95 0.00 0.00 178.83 178.54 1jki h ARG 171 N 0.49 0.00 -0.00 1.46 3.08 -0.53 -2.77 114.38 116.11 1jki h ARG 171 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1jki h ARG 171 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1jki h ARG 171 CO 0.08 0.08 -0.67 1.28 -1.07 0.00 0.00 179.97 179.67 1jki n LEU 172 N -3.60 1.11 -0.15 3.04 4.77 -1.01 -4.42 117.00 116.73 1jki n LEU 172 Ca -0.02 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.51 1jki n LEU 172 Cb 0.20 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1jki n LEU 172 CO 0.29 0.24 0.99 0.50 -1.33 0.00 0.00 177.39 178.08 1jki h LYS 173 N 0.69 0.40 0.11 3.23 3.64 -0.85 0.35 116.57 124.14 1jki h LYS 173 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1jki h LYS 173 Cb 0.56 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1jki h LYS 173 CO 0.00 0.27 -0.05 0.00 -2.27 0.00 0.00 179.45 177.39 1jki h ALA 174 N 1.27 -0.15 -0.34 5.00 0.00 -1.79 -1.33 119.26 121.93 1jki h ALA 174 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1jki h ALA 174 Cb 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jki h ALA 174 CO -0.18 -0.56 0.02 0.87 0.00 0.00 0.00 179.25 179.41 1jki h LYS 175 N -0.21 0.58 -0.78 0.00 1.57 -1.79 -3.27 116.57 112.66 1jki h LYS 175 Ca -0.02 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1jki h LYS 175 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1jki h LYS 175 CO 0.03 0.69 0.37 0.52 -0.57 0.00 0.00 179.45 180.49 1jki h MET 176 N 0.40 1.13 -1.00 3.15 2.86 -0.17 -2.36 114.93 118.93 1jki h MET 176 Ca 0.10 -0.16 0.29 0.00 -2.06 0.00 0.00 59.70 57.87 1jki h MET 176 Cb 0.42 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1jki h MET 176 CO 0.01 0.87 0.73 0.77 1.06 0.00 0.00 176.91 180.35 1jki h SER 177 N 1.12 0.00 1.26 1.22 0.02 -1.29 -1.41 113.55 114.47 1jki h SER 177 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1jki h SER 177 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1jki h SER 177 CO -0.03 0.00 0.00 -0.07 -1.14 0.00 0.00 176.83 175.59 1jki h LEU 178 N 0.00 0.00 -9.04 5.07 3.38 -1.53 -3.43 115.31 109.77 1jki h LEU 178 Ca 0.47 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.84 1jki h LEU 178 Cb 1.92 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.57 1jki h LEU 178 CO -0.00 0.00 0.18 -0.69 0.09 0.00 0.00 178.44 178.01 1jki s VAL 179 N -3.28 4.98 -0.09 1.22 1.01 -0.54 -5.01 120.40 118.69 1jki s VAL 179 Ca 0.07 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1jki s VAL 179 Cb 0.10 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1jki s VAL 179 CO 0.54 0.05 -0.19 -0.54 0.00 0.00 0.00 175.10 174.96 1jki s LYS 180 N 2.33 2.50 0.29 2.72 1.02 -1.26 -1.53 119.74 125.81 1jki s LYS 180 Ca 0.28 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 1jki s LYS 180 Cb -0.16 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1jki s LYS 180 CO 0.09 0.08 1.10 -1.25 -0.92 0.00 0.00 175.35 174.46 1jki s PRO 181 N 0.57 4.59 0.58 -1.68 0.04 -1.26 -4.91 135.00 132.92 1jki s PRO 181 Ca -0.15 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 1jki s PRO 181 Cb -0.17 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1jki s PRO 181 CO 0.05 0.16 1.17 -0.51 0.04 0.00 0.00 177.00 177.91 1jki s LEU 182 N -1.56 3.68 0.75 -3.56 1.43 -0.49 -4.68 118.68 114.24 1jki s LEU 182 Ca 0.46 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.67 1jki s LEU 182 Cb -0.32 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.34 1jki s LEU 182 CO 0.41 -1.45 0.98 -2.65 0.23 0.00 0.00 176.35 173.87 1jki n PRO 183 N -1.54 0.42 -1.63 1.29 -0.02 -1.26 -1.79 135.00 130.47 1jki n PRO 183 Ca 0.13 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1jki n PRO 183 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1jki n PRO 183 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jki n SER 184 N -1.94 0.95 -4.39 2.55 2.88 0.77 -4.66 113.62 109.78 1jki n SER 184 Ca 0.13 -0.82 -0.35 0.00 -1.33 0.00 0.00 58.87 56.50 1jki n SER 184 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.83 1jki n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jki s ILE 185 N -1.25 3.78 -0.33 2.46 1.01 -1.26 -0.53 121.20 125.08 1jki s ILE 185 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1jki s ILE 185 Cb 0.00 -2.73 0.07 0.00 0.01 0.00 0.00 42.46 39.81 1jki s ILE 185 CO 0.00 0.41 0.04 -0.47 0.00 0.00 0.00 174.94 174.92 1jki s TYR 186 N 1.31 3.40 -0.28 3.97 6.04 -1.26 -4.90 117.35 125.63 1jki s TYR 186 Ca 0.04 -2.16 -0.04 0.00 0.04 0.00 0.00 57.07 54.95 1jki s TYR 186 Cb -0.15 -2.45 0.02 0.00 -1.04 0.00 0.00 41.96 38.35 1jki s TYR 186 CO 0.00 -0.87 0.01 0.71 -1.54 0.00 0.00 175.55 173.87 1jki s TYR 187 N 1.18 3.13 0.19 4.97 4.12 -1.26 -4.80 117.35 124.88 1jki s TYR 187 Ca -0.01 -1.36 -0.18 0.00 0.02 0.00 0.00 57.07 55.54 1jki s TYR 187 Cb -0.20 -2.16 0.15 0.00 -1.52 0.00 0.00 41.96 38.23 1jki s TYR 187 CO -0.03 -0.68 1.61 -1.35 0.02 0.00 0.00 175.55 175.12 1jki h PRO 188 N 8.11 -0.12 -0.47 -1.71 0.11 -1.96 -2.91 132.00 133.05 1jki h PRO 188 Ca -0.30 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.95 1jki h PRO 188 Cb 1.11 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1jki h PRO 188 CO 0.58 -0.08 0.60 -0.44 -0.21 0.00 0.00 178.00 178.46 1jki h ASP 189 N -0.12 0.00 0.25 -2.05 3.32 -1.99 -2.76 116.42 113.08 1jki h ASP 189 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1jki h ASP 189 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1jki h ASP 189 CO -0.61 0.00 -0.50 0.49 -1.72 0.00 0.00 179.24 176.90 1jki n PHE 190 N -3.47 0.00 -4.43 4.55 3.01 -1.10 -4.89 117.46 111.13 1jki n PHE 190 Ca 0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1jki n PHE 190 Cb 0.78 -0.13 -0.10 0.00 -0.01 0.00 0.00 39.48 40.03 1jki n PHE 190 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1jki s ILE 191 N -2.75 0.77 0.23 4.37 -4.36 -1.04 -0.71 121.20 117.71 1jki s ILE 191 Ca 0.16 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.24 1jki s ILE 191 Cb 0.18 -2.59 -0.14 0.00 1.25 0.00 0.00 42.46 41.16 1jki s ILE 191 CO 0.65 0.00 1.19 0.00 0.24 0.00 0.00 174.94 177.02 1jki n ALA 192 N -0.70 0.02 0.21 2.27 0.00 -1.26 -4.85 120.51 116.19 1jki n ALA 192 Ca -0.03 0.42 0.18 0.00 0.00 0.00 0.00 53.44 54.01 1jki n ALA 192 Cb 0.66 -2.11 0.75 0.00 0.00 0.00 0.00 19.45 18.75 1jki n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jki h ALA 193 N 3.16 1.76 -0.05 0.00 0.00 -1.95 -2.07 119.26 120.12 1jki h ALA 193 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jki h ALA 193 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jki h ALA 193 CO 0.68 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 179.67 1jki n ASN 194 N -3.28 0.29 -0.01 0.00 0.23 -1.26 -2.93 115.26 108.30 1jki n ASN 194 Ca 0.03 -1.83 0.11 0.00 -0.53 0.00 0.00 54.58 52.36 1jki n ASN 194 Cb 0.53 -0.03 0.08 0.00 -2.08 0.00 0.00 39.78 38.28 1jki n ASN 194 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jki n GLN 195 N -0.43 0.02 -2.15 -3.83 1.13 -0.78 -4.82 117.38 106.52 1jki n GLN 195 Ca 0.06 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 1jki n GLN 195 Cb 0.07 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 1jki n GLN 195 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jki s ASP 196 N -2.99 6.80 0.00 1.08 3.68 -1.15 -3.58 116.67 120.51 1jki s ASP 196 Ca 0.10 2.21 0.00 0.00 2.13 0.00 0.00 52.55 56.99 1jki s ASP 196 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1jki s ASP 196 CO 0.77 -0.75 0.00 1.21 0.13 0.00 0.00 175.17 176.54 1jki n GLU 197 N 5.28 0.00 0.00 4.34 0.00 -1.26 -4.84 120.64 124.16 1jki n GLU 197 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.46 1jki n GLU 197 Cb 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 31.38 1jki n GLU 197 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1jki n ARG 198 N -0.23 0.00 -0.75 5.31 0.63 -1.24 -4.99 116.66 115.40 1jki n ARG 198 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1jki n ARG 198 Cb 0.07 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.93 1jki n ARG 198 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jki n ALA 199 N 0.00 3.13 -1.21 5.13 0.00 -1.24 -3.76 120.51 122.56 1jki n ALA 199 Ca 0.00 -2.28 0.07 0.00 0.00 0.00 0.00 53.44 51.24 1jki n ALA 199 Cb 0.00 -3.26 0.18 0.00 0.00 0.00 0.00 19.45 16.38 1jki n ALA 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jki n ASN 200 N 6.16 2.51 -2.68 0.00 2.04 0.33 -4.61 115.26 119.02 1jki n ASN 200 Ca 0.40 -3.33 -0.09 0.00 -0.44 0.00 0.00 54.58 51.12 1jki n ASN 200 Cb 0.25 -0.50 0.03 0.00 -2.53 0.00 0.00 39.78 37.04 1jki n ASN 200 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1jki n ASN 201 N -1.16 1.20 -4.91 0.53 4.05 -0.36 -4.62 115.26 109.98 1jki n ASN 201 Ca 0.20 -2.70 -0.28 0.00 0.45 0.00 0.00 54.58 52.25 1jki n ASN 201 Cb 0.74 -0.43 -0.03 0.00 1.23 0.00 0.00 39.78 41.30 1jki n ASN 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jki n ILE 203 N -1.12 0.00 -2.06 0.00 -5.35 0.31 -4.68 119.36 106.45 1jki n ILE 203 Ca -0.02 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.76 1jki n ILE 203 Cb 0.54 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1jki n ILE 203 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1jki n ASN 204 N -1.85 4.50 -4.47 7.28 6.94 -1.26 -4.92 115.26 121.49 1jki n ASN 204 Ca -0.02 -2.97 -0.34 0.00 -0.02 0.00 0.00 54.58 51.23 1jki n ASN 204 Cb 0.30 -1.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.02 1jki n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jki s LEU 205 N 1.12 3.19 0.00 -4.53 1.43 -1.26 -1.97 118.68 116.65 1jki s LEU 205 Ca 0.44 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1jki s LEU 205 Cb 0.11 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1jki s LEU 205 CO -0.04 0.14 0.00 -0.90 0.23 0.00 0.00 176.35 175.78 1jki n ASP 206 N 3.75 0.00 0.18 2.29 3.85 0.67 -4.89 116.55 122.41 1jki n ASP 206 Ca -0.17 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.04 1jki n ASP 206 Cb 0.52 0.00 0.61 0.00 -1.35 0.00 0.00 41.12 40.90 1jki n ASP 206 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1jki h GLU 207 N 0.00 0.00 0.00 0.11 4.39 -2.01 -3.43 114.58 113.64 1jki h GLU 207 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jki h GLU 207 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jki h GLU 207 CO 0.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.02 1jki n LYS 208 N -2.45 0.00 0.00 2.33 3.00 -1.26 -4.99 118.16 114.79 1jki n LYS 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jki n LYS 208 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.21 1jki n LYS 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jki n GLY 209 N 0.00 2.92 0.99 3.14 0.00 -1.26 -5.11 105.19 105.87 1jki n GLY 209 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1jki n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jki n ASN 210 N 0.00 0.00 -2.97 1.61 3.02 -1.26 -4.98 115.26 110.68 1jki n ASN 210 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1jki n ASN 210 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1jki n ASN 210 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jki n VAL 211 N 0.00 0.00 -3.62 2.41 0.31 -1.25 0.24 118.33 116.43 1jki n VAL 211 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1jki n VAL 211 Cb 0.00 -0.10 -0.07 0.00 -0.91 0.00 0.00 33.84 32.76 1jki n VAL 211 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1jki s THR 212 N 0.61 0.00 -2.05 2.52 -1.32 -0.83 -4.71 115.64 109.85 1jki s THR 212 Ca 0.62 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.23 1jki s THR 212 Cb -0.87 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 69.47 1jki s THR 212 CO 0.42 0.00 1.32 0.35 -2.21 0.00 0.00 174.62 174.51 1jki n THR 213 N 2.37 0.45 -2.89 5.08 -2.24 -1.26 -4.72 114.28 111.07 1jki n THR 213 Ca -0.14 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.78 1jki n THR 213 Cb 0.55 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1jki n THR 213 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jki s ARG 214 N -1.55 4.58 0.00 -0.78 3.52 -1.26 -4.17 118.95 119.29 1jki s ARG 214 Ca 0.26 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 1jki s ARG 214 Cb 0.14 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1jki s ARG 214 CO 0.19 0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 1jki n GLY 215 N 1.12 0.95 0.27 8.12 0.00 -1.26 -4.97 105.19 109.43 1jki n GLY 215 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1jki n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jki h LYS 216 N 0.00 0.34 -0.29 1.61 1.57 -1.78 -1.57 116.57 116.45 1jki h LYS 216 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1jki h LYS 216 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1jki h LYS 216 CO 0.00 0.31 -0.10 2.35 -0.57 0.00 0.00 179.45 181.44 1jki h TRP 217 N 0.34 0.65 -0.73 -1.35 2.91 -1.84 -1.05 115.95 114.90 1jki h TRP 217 Ca 0.08 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 59.92 1jki h TRP 217 Cb 0.12 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 1jki h TRP 217 CO 0.00 0.79 0.32 1.79 -1.03 0.00 0.00 178.44 180.31 1jki h THR 218 N 0.33 1.24 -0.22 2.65 1.35 -1.89 0.16 112.91 116.53 1jki h THR 218 Ca 0.07 -0.73 0.06 0.00 -0.55 0.00 0.00 66.41 65.26 1jki h THR 218 Cb 0.60 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.33 1jki h THR 218 CO 0.03 0.30 -0.21 0.45 -0.25 0.00 0.00 175.52 175.84 1jki h HIS 219 N 1.03 -0.55 -0.21 4.73 3.86 -1.05 0.42 115.15 123.38 1jki h HIS 219 Ca 0.25 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.55 1jki h HIS 219 Cb 0.17 0.28 -0.06 0.00 1.06 0.00 0.00 27.41 28.85 1jki h HIS 219 CO 0.01 -0.29 -0.20 1.25 0.86 0.00 0.00 177.93 179.56 1jki h LEU 220 N -0.22 -0.65 -0.73 2.43 7.12 -0.68 0.11 115.31 122.68 1jki h LEU 220 Ca 0.13 0.12 0.14 0.00 0.13 0.00 0.00 57.88 58.40 1jki h LEU 220 Cb 0.42 0.31 -0.09 0.00 -0.53 0.00 0.00 40.66 40.77 1jki h LEU 220 CO -0.35 -0.25 0.27 1.56 -0.13 0.00 0.00 178.44 179.55 1jki h GLN 221 N -0.22 0.40 -0.06 1.25 1.08 -0.24 -0.69 115.11 116.63 1jki h GLN 221 Ca 0.13 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1jki h GLN 221 Cb 0.41 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1jki h GLN 221 CO -0.34 0.27 0.01 -0.09 -0.95 0.00 0.00 178.83 177.72 1jki h ARG 222 N 0.41 0.10 -0.97 1.46 9.65 0.12 -1.88 114.38 123.27 1jki h ARG 222 Ca 0.40 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.31 1jki h ARG 222 Cb 0.60 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 1jki h ARG 222 CO -0.41 0.34 0.63 0.82 2.80 0.00 0.00 179.97 184.15 1jki h ILE 223 N -0.15 1.11 -0.26 1.20 1.08 -0.42 -0.39 117.51 119.67 1jki h ILE 223 Ca 0.02 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1jki h ILE 223 Cb 0.29 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.86 1jki h ILE 223 CO 0.00 0.21 0.13 0.03 -0.69 0.00 0.00 178.15 177.84 1jki h ARG 224 N 1.16 0.27 -0.76 2.37 3.08 -0.79 -0.99 114.38 118.72 1jki h ARG 224 Ca 0.41 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.47 1jki h ARG 224 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1jki h ARG 224 CO -0.16 0.18 0.50 -0.09 -1.07 0.00 0.00 179.97 179.33 1jki h ARG 225 N 0.28 0.91 -0.55 0.04 1.12 -1.03 -1.50 114.38 113.66 1jki h ARG 225 Ca 0.10 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 58.96 1jki h ARG 225 Cb 0.02 -0.21 -0.05 0.00 -0.01 0.00 0.00 29.97 29.72 1jki h ARG 225 CO -0.06 0.60 0.28 -0.44 -3.11 0.00 0.00 179.97 177.25 1jki h ASP 226 N 0.94 0.41 -0.02 -3.80 3.45 -0.37 1.09 116.42 118.12 1jki h ASP 226 Ca 0.30 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.79 1jki h ASP 226 Cb 0.03 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 1jki h ASP 226 CO -0.08 0.28 0.01 0.40 -1.57 0.00 0.00 179.24 178.28 1jki h ILE 227 N 0.55 1.00 0.06 0.35 2.04 -0.21 -1.36 117.51 119.94 1jki h ILE 227 Ca 0.24 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.10 1jki h ILE 227 Cb 0.14 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1jki h ILE 227 CO -0.16 0.01 -0.12 1.56 0.00 0.00 0.00 178.15 179.44 1jki h GLN 228 N 0.03 -0.22 -0.58 2.37 4.20 -0.85 -1.48 115.11 118.57 1jki h GLN 228 Ca 0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.84 1jki h GLN 228 Cb -0.00 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.74 1jki h GLN 228 CO -0.00 -0.15 0.11 -0.91 -0.67 0.00 0.00 178.83 177.21 1jki h ASN 229 N -0.23 -0.02 -0.60 1.46 -0.26 0.14 -2.33 115.58 113.74 1jki h ASN 229 Ca 0.02 0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1jki h ASN 229 Cb 0.25 0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 1jki h ASN 229 CO -0.08 0.00 0.38 0.15 -1.06 0.00 0.00 177.43 176.83 1jki h PHE 230 N 0.24 0.72 0.13 1.19 3.57 -1.13 -0.24 116.94 121.41 1jki h PHE 230 Ca 0.30 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1jki h PHE 230 Cb 0.45 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1jki h PHE 230 CO -0.25 0.43 -0.27 -0.22 -2.23 0.00 0.00 178.31 175.77 1jki h LYS 231 N 0.77 -0.46 -0.45 1.11 3.64 -0.72 -2.80 116.57 117.65 1jki h LYS 231 Ca 0.23 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1jki h LYS 231 Cb -0.03 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1jki h LYS 231 CO -0.08 -0.31 -0.18 1.05 -2.27 0.00 0.00 179.45 177.66 1jki h GLU 232 N -0.48 0.92 -0.26 1.90 4.11 -1.20 0.17 114.58 119.75 1jki h GLU 232 Ca 0.03 -0.39 0.07 0.00 0.07 0.00 0.00 59.36 59.14 1jki h GLU 232 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1jki h GLU 232 CO -0.15 1.05 0.18 0.93 0.07 0.00 0.00 179.01 181.09 1jki h GLU 233 N 0.76 0.01 -0.21 1.06 5.08 -1.09 0.87 114.58 121.05 1jki h GLU 233 Ca 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1jki h GLU 233 Cb 0.75 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jki h GLU 233 CO 0.06 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 1jki n ASN 234 N -4.46 2.55 -3.69 1.42 3.02 -1.06 -4.98 115.26 108.05 1jki n ASN 234 Ca 0.03 -1.78 -0.23 0.00 -0.03 0.00 0.00 54.58 52.57 1jki n ASN 234 Cb 0.33 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 1jki n ASN 234 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jki n ALA 235 N 0.62 -1.74 -2.58 5.41 0.00 0.30 -4.95 120.51 117.57 1jki n ALA 235 Ca 0.10 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1jki n ALA 235 Cb 0.38 -3.13 -0.10 0.00 0.00 0.00 0.00 19.45 16.59 1jki n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jki s LEU 236 N -6.86 3.04 -0.19 0.00 1.02 0.44 -5.02 118.68 111.12 1jki s LEU 236 Ca 0.24 -0.38 0.15 0.00 0.02 0.00 0.00 54.13 54.16 1jki s LEU 236 Cb -0.12 -1.83 -0.22 0.00 0.02 0.00 0.00 46.19 44.04 1jki s LEU 236 CO 0.79 0.18 0.04 0.47 0.02 0.00 0.00 176.35 177.85 1jki n ASP 237 N 0.73 0.63 -4.28 2.29 10.43 -1.26 -4.63 116.55 120.47 1jki n ASP 237 Ca -0.13 -0.01 -0.32 0.00 2.57 0.00 0.00 54.79 56.89 1jki n ASP 237 Cb 0.52 0.82 -0.16 0.00 1.84 0.00 0.00 41.12 44.14 1jki n ASP 237 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1jki s LYS 238 N -2.45 2.76 0.01 -1.24 1.02 -1.26 -5.08 119.74 113.50 1jki s LYS 238 Ca -0.11 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1jki s LYS 238 Cb 0.06 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1jki s LYS 238 CO 0.73 0.32 -0.08 0.08 -0.92 0.00 0.00 175.35 175.49 1jki s VAL 239 N -0.01 0.62 -0.08 3.17 1.01 -1.26 -0.85 120.40 123.01 1jki s VAL 239 Ca -0.08 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1jki s VAL 239 Cb -0.15 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1jki s VAL 239 CO 0.05 -0.01 -0.22 -0.63 0.00 0.00 0.00 175.10 174.30 1jki s ILE 240 N -0.57 1.83 -0.17 2.22 1.01 0.23 -4.18 121.20 121.57 1jki s ILE 240 Ca -0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1jki s ILE 240 Cb -0.05 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1jki s ILE 240 CO 0.00 0.51 0.19 -0.69 0.00 0.00 0.00 174.94 174.96 1jki s VAL 241 N 0.23 5.38 -0.09 2.92 1.01 0.41 -1.69 120.40 128.57 1jki s VAL 241 Ca -0.13 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1jki s VAL 241 Cb -0.16 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1jki s VAL 241 CO 0.06 0.45 -0.07 -0.22 0.00 0.00 0.00 175.10 175.32 1jki s LEU 242 N 0.18 1.18 -0.27 3.92 0.20 -0.63 -1.28 118.68 121.98 1jki s LEU 242 Ca 0.12 -0.24 -0.27 0.00 0.69 0.00 0.00 54.13 54.43 1jki s LEU 242 Cb -0.12 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 44.93 1jki s LEU 242 CO 0.01 -0.10 0.94 0.86 -0.29 0.00 0.00 176.35 177.77 1jki s TRP 243 N 1.46 3.26 -0.29 5.38 -0.11 0.44 -1.46 118.94 127.61 1jki s TRP 243 Ca -0.01 1.18 0.20 0.00 1.22 0.00 0.00 56.10 58.69 1jki s TRP 243 Cb -0.13 -3.30 0.48 0.00 -1.50 0.00 0.00 33.47 29.02 1jki s TRP 243 CO -0.04 -0.54 1.17 -2.37 -4.62 0.00 0.00 176.95 170.54 1jki n THR 244 N 5.48 0.94 -2.70 5.86 5.66 0.87 -1.60 114.28 128.79 1jki n THR 244 Ca 0.08 -2.55 -0.14 0.00 -3.05 0.00 0.00 64.05 58.40 1jki n THR 244 Cb 0.47 1.13 0.06 0.00 -1.55 0.00 0.00 70.33 70.45 1jki n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jki n ALA 245 N -0.67 0.40 -1.83 1.79 0.00 -0.66 -4.38 120.51 115.16 1jki n ALA 245 Ca 0.03 -1.31 -0.41 0.00 0.00 0.00 0.00 53.44 51.74 1jki n ALA 245 Cb 0.82 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 20.52 1jki n ALA 245 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jki s ASN 246 N -3.53 6.52 -0.22 0.00 0.02 -1.26 -4.88 114.94 111.59 1jki s ASN 246 Ca 0.42 2.79 -0.42 0.00 -1.02 0.00 0.00 52.86 54.63 1jki s ASN 246 Cb -0.03 -2.63 -0.18 0.00 0.02 0.00 0.00 41.25 38.43 1jki s ASN 246 CO 0.27 -0.81 1.46 0.41 0.02 0.00 0.00 177.10 178.46 1jki n THR 247 N 2.41 0.08 -2.76 1.60 -1.04 -1.26 -4.97 114.28 108.34 1jki n THR 247 Ca 0.08 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.88 1jki n THR 247 Cb 0.39 -0.62 0.04 0.00 -1.82 0.00 0.00 70.33 68.31 1jki n THR 247 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jki s GLU 248 N 1.96 2.55 -0.02 -2.82 2.02 -1.26 -4.70 118.70 116.43 1jki s GLU 248 Ca 0.96 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 1jki s GLU 248 Cb -1.24 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 1jki s GLU 248 CO 0.65 -0.65 0.79 -0.98 0.02 0.00 0.00 175.26 175.10 1jki s ARG 249 N -4.67 4.49 0.52 1.61 1.70 0.12 -4.49 118.95 118.23 1jki s ARG 249 Ca 0.58 1.07 -0.18 0.00 -0.47 0.00 0.00 55.73 56.72 1jki s ARG 249 Cb -0.10 -3.43 -0.13 0.00 -0.57 0.00 0.00 34.95 30.72 1jki s ARG 249 CO 0.37 0.08 0.10 0.66 -1.08 0.00 0.00 175.30 175.44 1jki n TYR 250 N 3.58 -2.12 -4.04 5.89 4.02 -1.26 -4.90 117.16 118.34 1jki n TYR 250 Ca 0.00 0.46 -0.28 0.00 -0.01 0.00 0.00 57.90 58.07 1jki n TYR 250 Cb 0.51 -1.78 -0.05 0.00 -0.02 0.00 0.00 39.34 38.00 1jki n TYR 250 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1jki s VAL 251 N -1.90 4.70 -0.11 -0.72 -7.23 -1.26 -4.99 120.40 108.89 1jki s VAL 251 Ca 0.61 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1jki s VAL 251 Cb -0.48 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1jki s VAL 251 CO 0.62 -0.01 1.07 -0.70 -0.31 0.00 0.00 175.10 175.77 1jki s GLU 252 N -2.85 4.38 -0.47 4.82 2.12 -1.26 -4.97 118.70 120.46 1jki s GLU 252 Ca 0.31 1.47 -0.27 0.00 0.36 0.00 0.00 54.97 56.85 1jki s GLU 252 Cb -0.11 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.74 1jki s GLU 252 CO 0.24 -0.40 1.00 0.08 -0.54 0.00 0.00 175.26 175.64 1jki s VAL 253 N 2.26 4.37 0.07 3.70 1.01 -1.26 -4.98 120.40 125.57 1jki s VAL 253 Ca 0.50 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.46 1jki s VAL 253 Cb -0.20 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1jki s VAL 253 CO 0.18 -0.92 -0.25 -0.44 0.00 0.00 0.00 175.10 173.67 1jki s SER 254 N 2.37 2.99 -1.06 3.32 0.01 -1.26 -5.05 113.70 115.02 1jki s SER 254 Ca 0.41 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 1jki s SER 254 Cb -0.09 -0.24 -0.11 0.00 0.21 0.00 0.00 66.02 65.79 1jki s SER 254 CO 0.28 0.20 2.02 -2.16 0.41 0.00 0.00 173.24 173.99 1jki s PRO 255 N -1.51 2.14 0.00 12.44 0.04 -1.26 -1.97 135.00 144.87 1jki s PRO 255 Ca 0.11 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1jki s PRO 255 Cb -0.10 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1jki s PRO 255 CO 0.03 -4.23 0.00 0.41 0.04 0.00 0.00 177.00 173.25 1jki n GLY 256 N 6.21 0.26 0.65 0.56 0.00 -1.26 -5.02 105.19 106.59 1jki n GLY 256 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 1jki n GLY 256 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jki n VAL 257 N 0.00 0.82 -2.66 1.61 0.24 -0.83 -4.87 118.33 112.63 1jki n VAL 257 Ca 0.00 -0.04 0.01 0.00 -2.04 0.00 0.00 64.34 62.27 1jki n VAL 257 Cb 0.00 -1.72 0.04 0.00 -1.47 0.00 0.00 33.84 30.69 1jki n VAL 257 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1jki n ASN 258 N -3.61 1.41 -0.01 -1.34 2.04 -1.21 -1.90 115.26 110.65 1jki n ASN 258 Ca -0.18 -2.08 -0.06 0.00 -0.44 0.00 0.00 54.58 51.82 1jki n ASN 258 Cb 0.54 -0.40 -0.12 0.00 -2.53 0.00 0.00 39.78 37.26 1jki n ASN 258 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jki n ASP 259 N -0.16 0.82 -4.08 0.53 3.85 -1.25 -1.34 116.55 114.92 1jki n ASP 259 Ca 0.08 0.38 -0.11 0.00 -0.71 0.00 0.00 54.79 54.43 1jki n ASP 259 Cb 0.95 0.08 -0.11 0.00 -1.35 0.00 0.00 41.12 40.69 1jki n ASP 259 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1jki s THR 260 N -2.71 0.45 0.18 2.12 -1.32 -1.26 -2.98 115.64 110.13 1jki s THR 260 Ca -0.04 -1.36 -0.25 0.00 -1.21 0.00 0.00 61.69 58.83 1jki s THR 260 Cb 0.08 -0.94 0.07 0.00 -1.51 0.00 0.00 72.50 70.20 1jki s THR 260 CO 0.82 -0.62 1.56 -0.03 -2.21 0.00 0.00 174.62 174.14 1jki h MET 261 N 3.95 -0.12 -0.82 7.08 1.85 -1.84 0.59 114.93 125.62 1jki h MET 261 Ca -0.35 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.82 1jki h MET 261 Cb 1.19 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 33.18 1jki h MET 261 CO 0.50 -0.08 0.50 0.93 -0.40 0.00 0.00 176.91 178.36 1jki h GLU 262 N -0.12 0.87 0.31 0.39 3.07 -1.96 -2.35 114.58 114.78 1jki h GLU 262 Ca 0.22 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1jki h GLU 262 Cb 0.54 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1jki h GLU 262 CO -0.82 0.58 -0.15 -0.91 -1.40 0.00 0.00 179.01 176.31 1jki h ASN 263 N 0.90 -0.35 0.00 1.42 -0.26 -0.27 -3.05 115.58 113.97 1jki h ASN 263 Ca 0.37 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1jki h ASN 263 Cb 0.21 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1jki h ASN 263 CO -0.19 -0.12 0.00 -0.11 -1.06 0.00 0.00 177.43 175.95 1jki n LEU 264 N -5.20 0.00 0.30 1.61 7.94 0.60 -0.24 117.00 122.00 1jki n LEU 264 Ca -0.10 0.97 0.05 0.00 -1.11 0.00 0.00 56.01 55.82 1jki n LEU 264 Cb 0.23 -0.47 0.27 0.00 0.53 0.00 0.00 43.42 43.98 1jki n LEU 264 CO 0.34 -0.47 0.99 -0.07 -1.11 0.00 0.00 177.39 177.06 1jki h LEU 265 N 0.00 0.00 0.05 -1.96 3.38 -1.53 0.38 115.31 115.63 1jki h LEU 265 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1jki h LEU 265 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1jki h LEU 265 CO 0.00 0.00 -2.27 1.67 0.09 0.00 0.00 178.44 177.93 1jki n GLN 266 N -2.48 0.69 -0.15 1.13 -0.06 0.67 -3.07 117.38 114.11 1jki n GLN 266 Ca -0.01 0.19 0.17 0.00 -2.00 0.00 0.00 57.00 55.35 1jki n GLN 266 Cb 0.72 -1.60 0.54 0.00 -4.06 0.00 0.00 30.24 25.84 1jki n GLN 266 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1jki h SER 267 N 0.03 0.32 0.28 1.69 0.02 0.50 0.91 113.55 117.30 1jki h SER 267 Ca -0.51 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1jki h SER 267 Cb 1.97 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.47 1jki h SER 267 CO -0.01 0.16 -0.13 0.40 -1.14 0.00 0.00 176.83 176.11 1jki h ILE 268 N 0.34 0.00 -1.36 3.27 2.04 -1.30 0.42 117.51 120.93 1jki h ILE 268 Ca 0.37 -0.07 0.40 0.00 1.00 0.00 0.00 64.86 66.55 1jki h ILE 268 Cb 0.95 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1jki h ILE 268 CO -0.11 0.00 0.94 0.11 0.00 0.00 0.00 178.15 179.09 1jki h LYS 269 N -0.44 0.09 -0.01 2.37 1.57 -1.20 1.50 116.57 120.44 1jki h LYS 269 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1jki h LYS 269 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jki h LYS 269 CO 0.06 0.06 -0.01 0.09 -0.57 0.00 0.00 179.45 179.08 1jki n ASN 270 N -4.32 0.86 -3.46 0.86 5.03 0.31 -4.68 115.26 109.85 1jki n ASN 270 Ca 0.32 -1.26 -0.22 0.00 0.87 0.00 0.00 54.58 54.29 1jki n ASN 270 Cb 1.38 -0.00 0.08 0.00 -1.02 0.00 0.00 39.78 40.22 1jki n ASN 270 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jki n ASP 271 N -0.34 -5.59 -4.77 6.41 10.43 0.51 -4.93 116.55 118.27 1jki n ASP 271 Ca 0.21 -0.53 -0.41 0.00 2.57 0.00 0.00 54.79 56.63 1jki n ASP 271 Cb 0.26 -4.89 -0.01 0.00 1.84 0.00 0.00 41.12 38.31 1jki n ASP 271 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1jki s HIS 272 N -3.31 2.89 0.21 1.24 2.46 0.13 -4.85 115.29 114.05 1jki s HIS 272 Ca 0.48 1.27 0.33 0.00 0.47 0.00 0.00 55.06 57.62 1jki s HIS 272 Cb -0.21 -3.82 1.77 0.00 -0.13 0.00 0.00 32.58 30.19 1jki s HIS 272 CO 0.70 -2.36 2.02 0.93 -2.47 0.00 0.00 174.74 173.56 1jki h GLU 273 N 3.51 0.00 -0.23 2.88 4.39 -1.91 0.18 114.58 123.40 1jki h GLU 273 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1jki h GLU 273 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1jki h GLU 273 CO 0.67 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.91 1jki n GLU 274 N -2.70 1.62 -3.51 2.33 1.02 -1.26 -4.68 120.64 113.46 1jki n GLU 274 Ca -0.02 -0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 55.74 1jki n GLU 274 Cb 0.08 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 1jki n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jki s ILE 275 N -1.70 4.98 0.35 -3.67 -1.09 0.05 -4.92 121.20 115.20 1jki s ILE 275 Ca 0.23 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1jki s ILE 275 Cb 0.12 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1jki s ILE 275 CO 0.17 -0.32 0.53 0.00 -1.23 0.00 0.00 174.94 174.09 1jki s ALA 276 N 1.62 3.86 0.27 9.38 0.00 -1.26 -4.95 121.76 130.67 1jki s ALA 276 Ca 0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1jki s ALA 276 Cb -0.20 -1.96 0.56 0.00 0.00 0.00 0.00 23.12 21.52 1jki s ALA 276 CO 0.08 -0.07 1.75 -1.35 0.00 0.00 0.00 175.76 176.17 1jki h PRO 277 N 0.76 0.55 -0.20 0.00 0.11 -1.93 0.33 132.00 131.61 1jki h PRO 277 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1jki h PRO 277 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1jki h PRO 277 CO 0.58 0.36 -0.23 0.66 -0.21 0.00 0.00 178.00 179.17 1jki h SER 278 N 0.57 0.36 -0.11 -2.05 4.64 -1.95 0.17 113.55 115.18 1jki h SER 278 Ca 0.47 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.73 1jki h SER 278 Cb 0.72 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 1jki h SER 278 CO -0.39 0.60 -0.19 0.74 -0.87 0.00 0.00 176.83 176.72 1jki h THR 279 N 0.33 0.52 -0.48 2.95 2.02 -0.68 0.13 112.91 117.70 1jki h THR 279 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1jki h THR 279 Cb 0.59 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1jki h THR 279 CO 0.04 0.00 0.24 0.40 0.37 0.00 0.00 175.52 176.57 1jki h ILE 280 N -0.25 1.18 -0.37 3.11 5.03 -0.64 -0.44 117.51 125.13 1jki h ILE 280 Ca 0.09 -0.50 -0.04 0.00 -0.12 0.00 0.00 64.86 64.30 1jki h ILE 280 Cb 0.38 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 34.79 1jki h ILE 280 CO -0.26 0.20 0.06 -0.26 -0.68 0.00 0.00 178.15 177.21 1jki h PHE 281 N 0.63 0.55 -0.11 1.37 -1.00 -0.22 -1.66 116.94 116.51 1jki h PHE 281 Ca 0.17 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1jki h PHE 281 Cb 0.10 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1jki h PHE 281 CO -0.01 0.50 -0.08 0.00 -1.61 0.00 0.00 178.31 177.11 1jki h ALA 282 N 1.54 0.16 0.00 2.45 0.00 -0.18 -1.24 119.26 121.99 1jki h ALA 282 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1jki h ALA 282 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jki h ALA 282 CO 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.93 1jki h ALA 283 N 0.61 1.29 0.04 0.00 0.00 -0.84 -2.57 119.26 117.79 1jki h ALA 283 Ca 0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1jki h ALA 283 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jki h ALA 283 CO 0.02 0.37 -1.01 0.00 0.00 0.00 0.00 179.25 178.63 1jki h ALA 284 N 1.70 0.33 0.00 0.00 0.00 -1.25 -1.03 119.26 119.01 1jki h ALA 284 Ca -0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 54.91 53.97 1jki h ALA 284 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1jki h ALA 284 CO 0.04 0.90 -0.80 0.77 0.00 0.00 0.00 179.25 180.16 1jki h SER 285 N 0.15 0.00 -0.07 0.00 0.02 -0.86 -3.12 113.55 109.67 1jki h SER 285 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1jki h SER 285 Cb 1.68 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.22 1jki h SER 285 CO 0.17 0.80 -0.08 0.40 -1.14 0.00 0.00 176.83 176.97 1jki h ILE 286 N 0.00 1.39 0.00 3.27 2.04 -1.49 2.30 117.51 125.01 1jki h ILE 286 Ca -0.01 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1jki h ILE 286 Cb 1.52 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1jki h ILE 286 CO 0.10 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.79 1jki n LEU 287 N -4.69 0.00 -0.07 1.44 4.32 -0.39 0.25 117.00 117.85 1jki n LEU 287 Ca -0.08 0.49 0.01 0.00 -0.02 0.00 0.00 56.01 56.42 1jki n LEU 287 Cb 0.32 -0.49 0.01 0.00 -1.62 0.00 0.00 43.42 41.64 1jki n LEU 287 CO 0.36 -0.45 0.24 -0.62 -1.22 0.00 0.00 177.39 175.70 1jki n GLU 288 N -1.49 0.51 -2.05 3.23 -0.58 -1.03 -4.99 120.64 114.25 1jki n GLU 288 Ca 0.01 -0.53 -0.10 0.00 -0.42 0.00 0.00 57.16 56.12 1jki n GLU 288 Cb 0.03 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 29.92 1jki n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jki n GLY 289 N 0.28 0.14 3.52 0.62 0.00 0.14 -5.00 105.19 104.89 1jki n GLY 289 Ca 0.01 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1jki n GLY 289 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jki s VAL 290 N -2.49 3.56 0.26 1.61 -7.23 0.75 -4.96 120.40 111.91 1jki s VAL 290 Ca 0.00 -0.51 -0.31 0.00 -1.81 0.00 0.00 61.98 59.35 1jki s VAL 290 Cb 0.00 -2.48 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 1jki s VAL 290 CO 0.00 0.56 1.58 -2.65 -0.31 0.00 0.00 175.10 174.28 1jki n PRO 291 N 2.72 2.54 -4.56 4.82 -0.02 -1.26 -4.02 135.00 135.22 1jki n PRO 291 Ca -0.18 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 1jki n PRO 291 Cb 0.53 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1jki n PRO 291 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jki s TYR 292 N 0.23 2.80 -0.20 6.00 6.14 -1.03 -0.45 117.35 130.84 1jki s TYR 292 Ca 0.68 -0.91 -0.03 0.00 0.64 0.00 0.00 57.07 57.45 1jki s TYR 292 Cb -0.54 -1.89 -0.01 0.00 0.42 0.00 0.00 41.96 39.94 1jki s TYR 292 CO 0.45 -0.40 -0.08 0.42 0.64 0.00 0.00 175.55 176.59 1jki s ILE 293 N 0.72 3.19 -0.58 3.14 1.01 -0.41 -2.76 121.20 125.50 1jki s ILE 293 Ca -0.06 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 1jki s ILE 293 Cb -0.15 -2.42 0.08 0.00 0.01 0.00 0.00 42.46 39.97 1jki s ILE 293 CO 0.02 0.46 0.77 0.21 0.00 0.00 0.00 174.94 176.40 1jki s ASN 294 N 1.20 6.21 0.00 3.58 3.04 -0.40 -0.42 114.94 128.15 1jki s ASN 294 Ca 0.02 -1.07 0.22 0.00 0.04 0.00 0.00 52.86 52.08 1jki s ASN 294 Cb -0.14 -2.34 0.91 0.00 -1.54 0.00 0.00 41.25 38.13 1jki s ASN 294 CO -0.03 -1.15 1.64 0.61 -3.04 0.00 0.00 177.10 175.13 1jki n GLY 295 N 5.25 -0.00 3.76 1.21 0.00 -0.63 -2.46 105.19 112.32 1jki n GLY 295 Ca -0.06 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1jki n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jki s SER 296 N -1.68 4.38 0.00 1.61 0.01 -1.26 -1.22 113.70 115.54 1jki s SER 296 Ca 0.34 -1.20 0.26 0.00 1.31 0.00 0.00 55.95 56.66 1jki s SER 296 Cb 0.18 -0.21 0.68 0.00 0.21 0.00 0.00 66.02 66.88 1jki s SER 296 CO 0.28 -0.66 1.53 -0.81 0.41 0.00 0.00 173.24 173.98 1jki n PRO 297 N -1.30 0.19 -0.62 12.44 -0.04 -1.26 -0.26 135.00 144.15 1jki n PRO 297 Ca -0.04 -0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 1jki n PRO 297 Cb 0.65 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.82 1jki n PRO 297 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1jki s GLN 298 N -2.88 0.17 -1.15 0.54 0.00 -1.26 -4.76 119.66 110.33 1jki s GLN 298 Ca 0.15 1.27 -0.11 0.00 -0.00 0.00 0.00 55.36 56.67 1jki s GLN 298 Cb 0.18 -1.65 0.24 0.00 0.00 0.00 0.00 33.01 31.78 1jki s GLN 298 CO 0.63 -3.12 1.24 0.54 0.00 0.00 0.00 175.29 174.58 1jki s ASN 299 N -2.59 7.23 0.15 12.60 4.22 -1.26 -4.80 114.94 130.49 1jki s ASN 299 Ca 0.68 -3.37 0.03 0.00 -2.14 0.00 0.00 52.86 48.06 1jki s ASN 299 Cb -0.24 -2.28 -0.06 0.00 1.28 0.00 0.00 41.25 39.95 1jki s ASN 299 CO 0.61 -0.46 1.34 0.71 -2.04 0.00 0.00 177.10 177.26 1jki h THR 300 N 4.05 1.53 -0.67 0.54 1.35 -1.94 -3.38 112.91 114.40 1jki h THR 300 Ca 0.23 -2.78 -0.72 0.00 -0.55 0.00 0.00 66.41 62.59 1jki h THR 300 Cb 0.87 2.57 -0.09 0.00 -1.73 0.00 0.00 68.15 69.77 1jki h THR 300 CO 1.10 0.81 2.56 0.49 -0.25 0.00 0.00 175.52 180.23 1jki n PHE 301 N -3.60 3.62 -1.51 4.73 0.99 -1.26 -4.74 117.46 115.68 1jki n PHE 301 Ca -0.03 -2.93 -0.32 0.00 -0.00 0.00 0.00 57.45 54.17 1jki n PHE 301 Cb 0.85 -2.36 0.06 0.00 -1.00 0.00 0.00 39.48 37.03 1jki n PHE 301 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1jki s VAL 302 N 2.40 3.51 0.30 -4.37 -7.23 -1.26 -4.69 120.40 109.06 1jki s VAL 302 Ca 0.45 0.56 0.05 0.00 -1.81 0.00 0.00 61.98 61.23 1jki s VAL 302 Cb 0.10 -3.11 0.29 0.00 0.56 0.00 0.00 36.38 34.22 1jki s VAL 302 CO -0.03 -0.58 1.75 1.55 -0.31 0.00 0.00 175.10 177.48 1jki h PRO 303 N -0.63 0.61 -0.41 4.82 0.13 -1.83 0.31 132.00 135.01 1jki h PRO 303 Ca -0.45 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1jki h PRO 303 Cb 1.23 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1jki h PRO 303 CO 0.54 0.41 0.07 0.78 -0.23 0.00 0.00 178.00 179.57 1jki h GLY 304 N 0.63 0.66 1.88 1.56 0.00 -1.11 0.51 103.07 107.21 1jki h GLY 304 Ca 0.57 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 47.34 1jki h GLY 304 CO -0.43 0.35 -1.00 -2.00 0.00 0.00 0.00 176.54 173.46 1jki h LEU 305 N 0.60 0.00 -1.01 3.11 5.85 -1.11 -2.47 115.31 120.28 1jki h LEU 305 Ca 0.13 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1jki h LEU 305 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1jki h LEU 305 CO 0.00 0.91 -0.34 0.58 -0.34 0.00 0.00 178.44 179.25 1jki h VAL 306 N 0.00 1.28 -0.39 1.05 2.07 0.69 -2.27 116.25 118.69 1jki h VAL 306 Ca -0.04 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1jki h VAL 306 Cb 1.73 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1jki h VAL 306 CO 0.11 0.41 0.14 -0.61 0.02 0.00 0.00 177.57 177.65 1jki h GLN 307 N 0.25 0.60 0.00 1.57 4.15 -0.88 -1.69 115.11 119.10 1jki h GLN 307 Ca 0.03 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1jki h GLN 307 Cb 0.72 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1jki h GLN 307 CO 0.06 0.58 -0.30 1.25 -1.93 0.00 0.00 178.83 178.49 1jki h LEU 308 N 0.49 0.00 -0.42 -2.39 6.46 -1.19 0.87 115.31 119.12 1jki h LEU 308 Ca 0.13 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.71 1jki h LEU 308 Cb 0.22 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1jki h LEU 308 CO -0.01 0.30 -0.69 0.00 -0.62 0.00 0.00 178.44 177.42 1jki h ALA 309 N 1.70 0.61 -0.20 1.25 0.00 -1.07 -0.92 119.26 120.62 1jki h ALA 309 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1jki h ALA 309 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jki h ALA 309 CO 0.04 0.74 -0.15 0.93 0.00 0.00 0.00 179.25 180.81 1jki h GLU 310 N 0.32 0.46 0.00 0.00 5.08 -0.19 0.12 114.58 120.38 1jki h GLU 310 Ca -0.02 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1jki h GLU 310 Cb 1.26 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1jki h GLU 310 CO 0.12 0.78 -0.22 1.25 -1.00 0.00 0.00 179.01 179.94 1jki h HIS 311 N 0.15 0.00 0.00 4.33 2.76 0.80 -2.34 115.15 120.85 1jki h HIS 311 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1jki h HIS 311 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1jki h HIS 311 CO 0.07 0.22 -1.12 0.39 -1.30 0.00 0.00 177.93 176.19 1jki n GLU 312 N -3.86 0.39 -2.42 5.26 -0.58 -0.36 -4.99 120.64 114.08 1jki n GLU 312 Ca -0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 1jki n GLU 312 Cb 0.31 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1jki n GLU 312 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jki n GLY 313 N 1.32 -0.14 2.92 0.62 0.00 0.28 -4.98 105.19 105.21 1jki n GLY 313 Ca 0.01 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1jki n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jki s THR 314 N -3.20 0.49 0.04 2.61 2.01 -0.28 -5.03 115.64 112.28 1jki s THR 314 Ca 0.22 -0.16 -0.33 0.00 0.31 0.00 0.00 61.69 61.73 1jki s THR 314 Cb -0.03 -0.49 -0.12 0.00 0.01 0.00 0.00 72.50 71.87 1jki s THR 314 CO 0.38 0.19 1.80 0.49 -0.69 0.00 0.00 174.62 176.79 1jki n PHE 315 N 3.65 2.41 -4.38 4.92 0.99 -1.26 -4.80 117.46 118.98 1jki n PHE 315 Ca -0.21 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.04 1jki n PHE 315 Cb 0.53 -2.66 -0.10 0.00 -1.00 0.00 0.00 39.48 36.25 1jki n PHE 315 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 1jki s ILE 316 N 2.92 1.74 0.05 4.37 -4.36 -0.94 -2.47 121.20 122.52 1jki s ILE 316 Ca 0.86 -2.19 -0.27 0.00 -0.26 0.00 0.00 60.65 58.79 1jki s ILE 316 Cb -0.61 -2.21 0.10 0.00 1.25 0.00 0.00 42.46 40.98 1jki s ILE 316 CO 0.44 -0.47 1.19 0.00 0.24 0.00 0.00 174.94 176.33 1jki s ALA 317 N -2.97 -2.07 0.00 2.27 0.00 -1.11 -1.63 121.76 116.25 1jki s ALA 317 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1jki s ALA 317 Cb 0.01 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1jki s ALA 317 CO 0.09 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1jki n GLY 318 N -0.64 -1.48 0.00 0.00 0.00 -1.26 -1.27 105.19 100.54 1jki n GLY 318 Ca -0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jki n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jki n ASP 319 N 0.03 0.00 -1.17 1.61 10.43 -1.03 -1.74 116.55 124.69 1jki n ASP 319 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1jki n ASP 319 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1jki n ASP 319 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1jki n ASP 320 N 0.00 -6.54 -4.67 -2.24 -0.08 0.64 -1.31 116.55 102.35 1jki n ASP 320 Ca 0.00 0.99 -0.42 0.00 -1.51 0.00 0.00 54.79 53.84 1jki n ASP 320 Cb 0.00 -3.31 -0.03 0.00 2.34 0.00 0.00 41.12 40.13 1jki n ASP 320 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1jki s LEU 321 N -3.32 4.28 -0.65 -2.67 1.98 -0.36 -1.72 118.68 116.22 1jki s LEU 321 Ca 0.00 2.02 -0.24 0.00 -2.89 0.00 0.00 54.13 53.02 1jki s LEU 321 Cb 0.00 -3.55 0.05 0.00 0.66 0.00 0.00 46.19 43.36 1jki s LEU 321 CO 0.00 -0.79 1.04 -0.75 -1.89 0.00 0.00 176.35 173.95 1jki s LYS 322 N 3.24 3.19 0.00 1.98 2.20 0.93 -4.46 119.74 126.82 1jki s LYS 322 Ca 0.64 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1jki s LYS 322 Cb -0.29 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1jki s LYS 322 CO 0.24 -1.81 0.00 0.45 -0.36 0.00 0.00 175.35 173.87 1jki n SER 323 N 8.05 0.00 0.00 1.43 2.88 -1.26 -4.81 113.62 119.91 1jki n SER 323 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1jki n SER 323 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1jki n SER 323 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jki n GLY 324 N 0.00 0.16 0.10 0.46 0.00 -1.26 -4.79 105.19 99.86 1jki n GLY 324 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1jki n GLY 324 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jki h GLN 325 N 0.00 0.00 0.00 1.61 4.15 -1.99 -3.26 115.11 115.63 1jki h GLN 325 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1jki h GLN 325 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1jki h GLN 325 CO 0.00 0.99 -0.22 1.15 -1.93 0.00 0.00 178.83 178.82 1jki h THR 326 N -1.00 0.62 0.17 2.39 2.02 -1.93 -1.49 112.91 113.69 1jki h THR 326 Ca -0.27 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1jki h THR 326 Cb 1.23 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1jki h THR 326 CO -0.16 0.22 -0.08 0.11 0.37 0.00 0.00 175.52 175.97 1jki h LYS 327 N 0.00 -0.22 -1.22 6.66 1.57 -1.88 -3.15 116.57 118.33 1jki h LYS 327 Ca -0.00 0.02 0.38 0.00 -1.87 0.00 0.00 60.65 59.17 1jki h LYS 327 Cb 0.66 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.90 1jki h LYS 327 CO 0.03 -0.15 0.78 1.25 -0.57 0.00 0.00 179.45 180.79 1jki h LEU 328 N -0.30 0.31 -0.79 2.94 6.46 -1.59 0.12 115.31 122.46 1jki h LEU 328 Ca -0.02 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1jki h LEU 328 Cb 0.18 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 1jki h LEU 328 CO 0.04 -0.11 0.49 0.11 -0.62 0.00 0.00 178.44 178.36 1jki h LYS 329 N 0.18 0.91 0.11 1.25 1.57 -1.27 -1.12 116.57 118.20 1jki h LYS 329 Ca 0.75 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.47 1jki h LYS 329 Cb 2.23 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1jki h LYS 329 CO -0.39 0.60 -0.05 0.77 -0.57 0.00 0.00 179.45 179.81 1jki h SER 330 N 0.94 -0.12 -0.82 0.86 0.02 -0.74 0.28 113.55 113.97 1jki h SER 330 Ca 0.33 -0.45 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 1jki h SER 330 Cb 0.08 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 62.49 1jki h SER 330 CO -0.14 0.45 -0.25 0.58 -1.14 0.00 0.00 176.83 176.34 1jki h VAL 331 N -0.77 0.14 0.47 2.27 2.07 -1.33 -1.21 116.25 117.90 1jki h VAL 331 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1jki h VAL 331 Cb 0.56 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1jki h VAL 331 CO 0.02 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.32 1jki h LEU 332 N -0.02 -0.54 -1.65 2.57 -0.00 -1.12 -0.48 115.31 114.07 1jki h LEU 332 Ca 0.37 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.27 1jki h LEU 332 Cb 0.60 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 1jki h LEU 332 CO -0.85 -0.34 0.29 0.00 -0.00 0.00 0.00 178.44 177.55 1jki h ALA 333 N -0.19 1.84 -0.01 1.53 0.00 0.05 -2.86 119.26 119.61 1jki h ALA 333 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jki h ALA 333 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jki h ALA 333 CO 0.11 0.11 -0.05 0.37 0.00 0.00 0.00 179.25 179.78 1jki h GLN 334 N 0.46 0.05 -0.41 0.00 5.75 -1.00 -0.29 115.11 119.66 1jki h GLN 334 Ca 0.18 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1jki h GLN 334 Cb 0.15 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 1jki h GLN 334 CO -0.04 0.71 -0.46 0.35 -2.65 0.00 0.00 178.83 176.73 1jki h PHE 335 N -0.59 -1.37 0.02 3.99 3.57 -1.05 0.33 116.94 121.84 1jki h PHE 335 Ca -0.00 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1jki h PHE 335 Cb 0.72 0.66 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 1jki h PHE 335 CO 0.16 -0.46 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.29 1jki h LEU 336 N -0.34 -1.29 -2.21 0.59 4.07 -1.51 -1.52 115.31 113.11 1jki h LEU 336 Ca 0.12 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 1jki h LEU 336 Cb 0.59 0.50 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1jki h LEU 336 CO -0.59 -0.47 -0.06 0.58 -1.08 0.00 0.00 178.44 176.83 1jki h VAL 337 N -0.59 0.48 0.00 1.22 2.07 -0.59 -1.04 116.25 117.80 1jki h VAL 337 Ca 0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1jki h VAL 337 Cb 0.66 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1jki h VAL 337 CO -0.31 0.06 -0.39 0.47 0.02 0.00 0.00 177.57 177.42 1jki n ASP 338 N -3.65 0.53 -0.84 0.57 10.43 0.11 -2.34 116.55 121.36 1jki n ASP 338 Ca -0.02 0.14 0.11 0.00 2.57 0.00 0.00 54.79 57.58 1jki n ASP 338 Cb 0.16 -0.06 0.29 0.00 1.84 0.00 0.00 41.12 43.35 1jki n ASP 338 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jki n ALA 339 N -1.66 2.47 -2.47 2.24 0.00 -0.55 -4.95 120.51 115.59 1jki n ALA 339 Ca 0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.71 1jki n ALA 339 Cb 0.39 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.86 1jki n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jki n GLY 340 N 1.31 0.53 3.55 0.00 0.00 -0.99 -5.06 105.19 104.53 1jki n GLY 340 Ca 0.17 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1jki n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jki s ILE 341 N -2.75 3.62 -0.59 -0.61 1.01 -0.51 -5.02 121.20 116.36 1jki s ILE 341 Ca 0.07 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1jki s ILE 341 Cb -0.03 -2.49 0.15 0.00 0.01 0.00 0.00 42.46 40.11 1jki s ILE 341 CO 0.08 0.58 0.45 -0.75 0.00 0.00 0.00 174.94 175.31 1jki s LYS 342 N -0.62 2.71 0.13 2.79 2.20 -1.08 -3.72 119.74 122.15 1jki s LYS 342 Ca 0.09 -2.15 -0.31 0.00 -0.36 0.00 0.00 55.97 53.24 1jki s LYS 342 Cb -0.12 -3.95 -0.11 0.00 -1.51 0.00 0.00 37.83 32.15 1jki s LYS 342 CO 0.02 -1.20 1.84 -2.30 -0.36 0.00 0.00 175.35 173.35 1jki n PRO 343 N 4.26 2.82 -0.01 4.03 -0.01 -1.26 -0.10 135.00 144.73 1jki n PRO 343 Ca 0.02 1.03 0.02 0.00 -0.01 0.00 0.00 63.50 64.55 1jki n PRO 343 Cb 0.41 -2.93 -0.06 0.00 -0.01 0.00 0.00 33.50 30.91 1jki n PRO 343 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1jki n VAL 344 N 4.71 0.15 -3.75 -1.45 3.14 -0.83 -4.78 118.33 115.52 1jki n VAL 344 Ca 0.18 -0.23 -0.13 0.00 -2.96 0.00 0.00 64.34 61.20 1jki n VAL 344 Cb 0.38 0.01 -0.14 0.00 -1.06 0.00 0.00 33.84 33.02 1jki n VAL 344 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jki s SER 345 N -3.23 -0.12 -0.27 6.55 0.15 -1.10 -0.70 113.70 114.98 1jki s SER 345 Ca -0.03 0.31 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 1jki s SER 345 Cb 0.04 0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1jki s SER 345 CO 0.34 -0.14 0.10 -0.63 1.20 0.00 0.00 173.24 174.11 1jki s ILE 346 N 1.07 0.29 -0.25 6.45 1.01 0.04 -1.78 121.20 128.03 1jki s ILE 346 Ca -0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 1jki s ILE 346 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1jki s ILE 346 CO -0.06 -0.59 0.27 0.00 0.00 0.00 0.00 174.94 174.56 1jki s ALA 347 N 1.93 3.57 -0.35 9.38 0.00 -0.18 -2.48 121.76 133.64 1jki s ALA 347 Ca 0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1jki s ALA 347 Cb -0.17 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.48 1jki s ALA 347 CO -0.26 -0.44 0.11 -1.12 0.00 0.00 0.00 175.76 174.05 1jki s SER 348 N 1.41 5.27 0.03 0.00 0.01 -0.02 0.14 113.70 120.54 1jki s SER 348 Ca 0.11 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.14 1jki s SER 348 Cb -0.15 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1jki s SER 348 CO 0.08 -0.36 -0.13 -0.31 0.41 0.00 0.00 173.24 172.93 1jki s TYR 349 N 1.35 2.69 -0.10 2.43 2.02 0.21 -0.76 117.35 125.20 1jki s TYR 349 Ca -0.01 -0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1jki s TYR 349 Cb -0.20 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1jki s TYR 349 CO 0.01 0.31 0.26 -0.80 -1.57 0.00 0.00 175.55 173.77 1jki s ASN 350 N -1.50 -0.28 0.00 2.29 -0.87 0.76 -0.47 114.94 114.86 1jki s ASN 350 Ca 0.16 0.54 -0.02 0.00 -1.57 0.00 0.00 52.86 51.97 1jki s ASN 350 Cb -0.11 0.51 -0.01 0.00 -0.02 0.00 0.00 41.25 41.62 1jki s ASN 350 CO 0.07 -0.11 0.04 -1.38 -2.57 0.00 0.00 177.10 173.14 1jki s HIS 351 N 0.49 0.09 0.04 2.20 -3.43 -1.14 0.14 115.29 113.69 1jki s HIS 351 Ca -0.03 -0.18 -0.23 0.00 -0.80 0.00 0.00 55.06 53.82 1jki s HIS 351 Cb -0.04 -0.08 0.05 0.00 -1.43 0.00 0.00 32.58 31.08 1jki s HIS 351 CO -0.03 -0.15 0.53 -0.48 -2.00 0.00 0.00 174.74 172.61 1jki s LEU 352 N -0.87 -0.11 -0.38 5.38 2.34 -1.11 -0.89 118.68 123.03 1jki s LEU 352 Ca -0.10 0.22 0.05 0.00 0.06 0.00 0.00 54.13 54.36 1jki s LEU 352 Cb -0.06 2.15 0.46 0.00 -0.56 0.00 0.00 46.19 48.19 1jki s LEU 352 CO -0.00 -0.71 1.44 0.61 -1.06 0.00 0.00 176.35 176.63 1jki n GLY 353 N 0.46 6.07 3.83 -3.48 0.00 0.21 -2.41 105.19 109.87 1jki n GLY 353 Ca -0.18 -2.37 -0.24 0.00 0.00 0.00 0.00 46.02 43.22 1jki n GLY 353 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jki n ASN 354 N -0.82 2.57 0.19 1.61 0.23 -1.22 -4.26 115.26 113.56 1jki n ASN 354 Ca 0.47 -2.79 0.06 0.00 -0.53 0.00 0.00 54.58 51.78 1jki n ASN 354 Cb 0.89 -0.15 0.52 0.00 -2.08 0.00 0.00 39.78 38.96 1jki n ASN 354 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1jki h ASN 355 N 0.49 0.10 0.27 0.53 -1.24 -1.96 -0.54 115.58 113.23 1jki h ASN 355 Ca -0.33 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.68 1jki h ASN 355 Cb 1.27 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 40.25 1jki h ASN 355 CO 0.50 0.17 -0.45 0.44 -1.29 0.00 0.00 177.43 176.81 1jki h ASP 356 N 0.11 -1.28 1.69 1.15 3.45 -1.97 1.48 116.42 121.05 1jki h ASP 356 Ca 0.03 0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 1jki h ASP 356 Cb 0.17 0.45 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1jki h ASP 356 CO 0.01 -0.55 -0.20 1.23 -1.57 0.00 0.00 179.24 178.16 1jki h GLY 357 N -0.78 0.00 1.28 2.75 0.00 -1.71 -0.83 103.07 103.78 1jki h GLY 357 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1jki h GLY 357 CO -0.17 0.00 -0.63 -1.82 0.00 0.00 0.00 176.54 173.92 1jki h TYR 358 N 0.00 0.95 -0.03 5.60 3.20 -0.77 -1.77 116.97 124.14 1jki h TYR 358 Ca -0.00 -0.37 -0.23 0.00 3.14 0.00 0.00 58.73 61.27 1jki h TYR 358 Cb 1.10 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.21 1jki h TYR 358 CO 0.00 1.17 -0.92 -0.97 -1.64 0.00 0.00 178.16 175.80 1jki h ASN 359 N 0.54 0.70 0.55 -2.11 -0.00 0.24 -3.07 115.58 112.43 1jki h ASN 359 Ca -0.01 -0.53 -0.02 0.00 -0.00 0.00 0.00 56.30 55.74 1jki h ASN 359 Cb 1.22 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1jki h ASN 359 CO 0.13 1.32 -0.11 -0.07 -0.00 0.00 0.00 177.43 178.70 1jki h LEU 360 N 0.33 0.00 0.00 0.34 3.38 -1.09 -3.14 115.31 115.13 1jki h LEU 360 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jki h LEU 360 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1jki h LEU 360 CO 0.17 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 1jki n SER 361 N -3.44 0.00 -4.49 -0.43 3.41 -0.67 -3.78 113.62 104.21 1jki n SER 361 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 1jki n SER 361 Cb 0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 1jki n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jki s ALA 362 N -1.84 2.80 -0.33 7.33 0.00 -1.19 -5.04 121.76 123.49 1jki s ALA 362 Ca 0.00 -0.91 0.23 0.00 0.00 0.00 0.00 51.96 51.28 1jki s ALA 362 Cb 0.00 -1.19 1.09 0.00 0.00 0.00 0.00 23.12 23.02 1jki s ALA 362 CO 0.00 0.45 1.70 -0.35 0.00 0.00 0.00 175.76 177.56 1jki n PRO 363 N 2.72 0.18 0.15 0.00 -0.04 -1.26 -2.00 135.00 134.75 1jki n PRO 363 Ca -0.18 0.52 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 1jki n PRO 363 Cb 0.53 -1.93 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1jki n PRO 363 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jki h LYS 364 N 0.00 0.00 0.00 0.54 6.56 -1.95 -1.46 116.57 120.26 1jki h LYS 364 Ca 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.44 1jki h LYS 364 Cb 0.21 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 1jki h LYS 364 CO 0.00 0.28 -1.94 1.04 -2.06 0.00 0.00 179.45 176.77 1jki n GLN 365 N -3.11 0.66 0.10 3.15 3.00 -1.11 -4.06 117.38 116.01 1jki n GLN 365 Ca 0.01 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 1jki n GLN 365 Cb 0.66 -1.60 0.02 0.00 0.00 0.00 0.00 30.24 29.32 1jki n GLN 365 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1jki h PHE 366 N 0.00 0.00 -0.55 1.08 3.57 -1.42 -3.09 116.94 116.53 1jki h PHE 366 Ca -0.21 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1jki h PHE 366 Cb 1.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1jki h PHE 366 CO 0.00 0.81 0.25 -0.09 -2.23 0.00 0.00 178.31 177.05 1jki h ARG 367 N 0.00 0.80 -0.89 1.11 9.65 -1.40 0.51 114.38 124.15 1jki h ARG 367 Ca -0.01 -0.13 0.08 0.00 -1.10 0.00 0.00 59.98 58.82 1jki h ARG 367 Cb 1.45 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.82 1jki h ARG 367 CO 0.11 0.67 0.55 0.77 2.80 0.00 0.00 179.97 184.87 1jki h SER 368 N 0.74 0.85 0.04 -3.80 0.02 -1.70 1.45 113.55 111.15 1jki h SER 368 Ca 0.19 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jki h SER 368 Cb 0.15 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jki h SER 368 CO -0.02 0.52 -0.02 0.50 -1.14 0.00 0.00 176.83 176.67 1jki h LYS 369 N 0.97 -0.05 -0.73 3.45 1.63 -1.38 -2.19 116.57 118.27 1jki h LYS 369 Ca 0.40 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.27 1jki h LYS 369 Cb 0.25 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 1jki h LYS 369 CO -0.20 0.41 0.42 1.49 -3.45 0.00 0.00 179.45 178.13 1jki h GLU 370 N -0.53 0.76 -0.13 1.90 4.81 0.14 -1.49 114.58 120.04 1jki h GLU 370 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1jki h GLU 370 Cb 0.49 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1jki h GLU 370 CO 0.01 0.50 -0.01 0.97 -0.73 0.00 0.00 179.01 179.75 1jki h ILE 371 N 0.78 1.09 -0.70 2.32 6.09 0.19 -2.92 117.51 124.36 1jki h ILE 371 Ca 0.32 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 63.44 1jki h ILE 371 Cb 0.18 1.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.44 1jki h ILE 371 CO -0.18 0.12 0.41 0.28 -3.07 0.00 0.00 178.15 175.71 1jki h SER 372 N 0.18 0.85 1.80 2.19 0.02 -0.60 -2.24 113.55 115.76 1jki h SER 372 Ca 0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1jki h SER 372 Cb 0.14 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jki h SER 372 CO 0.00 0.67 -0.11 0.50 -1.14 0.00 0.00 176.83 176.75 1jki h LYS 373 N 0.97 0.00 -3.94 3.45 3.11 -1.51 -3.39 116.57 115.26 1jki h LYS 373 Ca 0.25 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.06 1jki h LYS 373 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1jki h LYS 373 CO -0.04 0.11 1.13 0.45 -2.81 0.00 0.00 179.45 178.28 1jki n SER 374 N -3.13 0.41 0.00 4.20 2.88 -0.84 -1.90 113.62 115.24 1jki n SER 374 Ca 0.03 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1jki n SER 374 Cb 0.55 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1jki n SER 374 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1jki n SER 375 N 4.91 0.00 0.21 -3.46 2.88 -1.26 -5.02 113.62 111.88 1jki n SER 375 Ca 0.04 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1jki n SER 375 Cb 0.01 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 1jki n SER 375 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1jki h VAL 376 N 0.00 0.00 -0.87 2.46 2.07 -1.66 -2.19 116.25 116.05 1jki h VAL 376 Ca 0.00 -0.02 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1jki h VAL 376 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1jki h VAL 376 CO 0.00 0.00 0.65 -0.29 0.02 0.00 0.00 177.57 177.95 1jki h ILE 377 N -0.56 0.52 0.00 4.57 -0.00 -1.98 0.61 117.51 120.67 1jki h ILE 377 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.75 1jki h ILE 377 Cb 0.41 0.54 -0.01 0.00 -0.00 0.00 0.00 36.82 37.77 1jki h ILE 377 CO 0.09 0.00 -0.26 0.44 -0.00 0.00 0.00 178.15 178.42 1jki h ASP 378 N 0.00 0.00 0.57 2.19 3.32 -1.86 -2.38 116.42 118.27 1jki h ASP 378 Ca 0.41 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.19 1jki h ASP 378 Cb 1.71 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.21 1jki h ASP 378 CO -0.00 0.26 -1.58 0.44 -1.72 0.00 0.00 179.24 176.63 1jki h ASP 379 N 0.00 0.02 0.40 6.45 3.32 0.87 -2.98 116.42 124.51 1jki h ASP 379 Ca -0.00 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.77 1jki h ASP 379 Cb 0.74 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1jki h ASP 379 CO 0.03 1.04 -1.01 0.40 -1.72 0.00 0.00 179.24 177.98 1jki h ILE 380 N 0.00 1.42 0.71 0.35 2.04 -1.52 -3.21 117.51 117.30 1jki h ILE 380 Ca -0.24 -2.58 -0.03 0.00 1.00 0.00 0.00 64.86 63.02 1jki h ILE 380 Cb 1.97 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 40.58 1jki h ILE 380 CO 0.09 0.76 -0.47 0.40 0.00 0.00 0.00 178.15 178.93 1jki h ILE 381 N 0.19 0.06 -1.02 -0.67 2.04 -1.52 -3.19 117.51 113.41 1jki h ILE 381 Ca -0.09 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.02 1jki h ILE 381 Cb 1.66 0.06 -0.12 0.00 -0.74 0.00 0.00 36.82 37.68 1jki h ILE 381 CO 0.17 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.93 1jki h ALA 382 N -0.99 1.89 0.00 1.87 0.00 -1.61 -1.11 119.26 119.31 1jki h ALA 382 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jki h ALA 382 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jki h ALA 382 CO 0.07 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 1jki n SER 383 N -4.84 0.00 -3.45 0.00 3.41 -1.21 -4.34 113.62 103.19 1jki n SER 383 Ca 0.27 0.31 -0.25 0.00 -0.26 0.00 0.00 58.87 58.93 1jki n SER 383 Cb 0.78 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 1jki n SER 383 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jki s ASN 384 N -2.79 2.60 0.00 4.04 3.84 -0.42 -4.95 114.94 117.26 1jki s ASN 384 Ca 0.09 -1.75 0.24 0.00 0.21 0.00 0.00 52.86 51.65 1jki s ASN 384 Cb 0.08 -0.11 0.87 0.00 -0.55 0.00 0.00 41.25 41.54 1jki s ASN 384 CO 0.21 -0.33 1.62 -0.90 -2.79 0.00 0.00 177.10 174.91 1jki n ASP 385 N 4.45 1.61 0.09 -4.21 5.68 -1.25 -1.32 116.55 121.59 1jki n ASP 385 Ca 0.07 -1.63 -0.22 0.00 -0.50 0.00 0.00 54.79 52.51 1jki n ASP 385 Cb 0.41 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 40.17 1jki n ASP 385 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1jki h ILE 386 N 2.27 1.38 0.02 2.12 2.04 -1.94 -3.38 117.51 120.01 1jki h ILE 386 Ca 0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.31 1jki h ILE 386 Cb 0.49 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1jki h ILE 386 CO 0.00 0.75 -0.01 -0.07 0.00 0.00 0.00 178.15 178.82 1jki h LEU 387 N -0.05 -0.02 -8.32 1.44 4.07 -1.95 -3.45 115.31 107.04 1jki h LEU 387 Ca -0.19 -0.70 -0.67 0.00 0.08 0.00 0.00 57.88 56.41 1jki h LEU 387 Cb 1.87 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 43.33 1jki h LEU 387 CO 0.21 0.80 -0.69 -0.31 -1.08 0.00 0.00 178.44 177.37 1jki s TYR 388 N -2.30 3.06 0.39 1.13 1.51 -0.43 -4.78 117.35 115.92 1jki s TYR 388 Ca -0.14 -1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 54.62 1jki s TYR 388 Cb -0.02 -2.15 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1jki s TYR 388 CO 0.52 -0.61 0.78 0.54 -1.11 0.00 0.00 175.55 175.67 1jki s ASN 389 N 1.44 0.04 0.42 2.29 2.20 -1.22 -3.95 114.94 116.16 1jki s ASN 389 Ca 0.03 -1.17 0.21 0.00 -0.94 0.00 0.00 52.86 50.99 1jki s ASN 389 Cb -0.16 0.85 0.91 0.00 -2.00 0.00 0.00 41.25 40.86 1jki s ASN 389 CO -0.01 -1.69 1.84 0.44 -2.94 0.00 0.00 177.10 174.73 1jki h ASP 390 N 2.00 0.00 0.19 3.54 5.19 -1.93 -1.95 116.42 123.46 1jki h ASP 390 Ca -0.32 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1jki h ASP 390 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1jki h ASP 390 CO 0.41 0.28 -0.09 0.50 -3.12 0.00 0.00 179.24 177.22 1jki h LYS 391 N 0.00 -0.24 0.00 3.56 3.64 -1.97 -3.30 116.57 118.26 1jki h LYS 391 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jki h LYS 391 Cb 0.71 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1jki h LYS 391 CO 0.04 -0.16 0.00 1.28 -2.27 0.00 0.00 179.45 178.34 1jki n LEU 392 N -4.11 0.00 0.00 5.20 4.77 -1.25 -5.01 117.00 116.59 1jki n LEU 392 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1jki n LEU 392 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1jki n LEU 392 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1jki n GLY 393 N 0.78 -1.87 0.88 -0.72 0.00 -0.74 -4.88 105.19 98.63 1jki n GLY 393 Ca 0.15 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.91 1jki n GLY 393 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jki n LYS 394 N -0.59 1.02 -4.20 1.61 2.85 -1.14 -3.39 118.16 114.32 1jki n LYS 394 Ca 0.00 -2.80 -0.27 0.00 -1.05 0.00 0.00 58.31 54.19 1jki n LYS 394 Cb 0.00 -1.06 -0.08 0.00 -0.65 0.00 0.00 35.03 33.24 1jki n LYS 394 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1jki s LYS 395 N -2.09 2.38 -0.23 -1.58 1.02 -1.26 -4.91 119.74 113.07 1jki s LYS 395 Ca 0.36 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1jki s LYS 395 Cb 0.37 -2.36 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1jki s LYS 395 CO -0.10 0.46 0.03 0.08 -0.92 0.00 0.00 175.35 174.90 1jki s VAL 396 N -1.67 0.88 0.35 3.17 1.01 -1.26 -4.83 120.40 118.06 1jki s VAL 396 Ca 0.27 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1jki s VAL 396 Cb -0.10 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 1jki s VAL 396 CO 0.18 -0.29 1.37 -0.62 0.00 0.00 0.00 175.10 175.74 1jki s ASP 397 N 1.67 6.60 -0.07 3.32 3.68 0.12 -4.89 116.67 127.10 1jki s ASP 397 Ca 0.00 2.81 -0.16 0.00 2.13 0.00 0.00 52.55 57.34 1jki s ASP 397 Cb -0.18 -2.66 0.03 0.00 -1.45 0.00 0.00 42.92 38.67 1jki s ASP 397 CO -0.11 -0.67 0.38 -1.38 0.13 0.00 0.00 175.17 173.52 1jki s HIS 398 N -1.14 -0.32 0.05 -5.34 -3.43 -1.26 -0.78 115.29 103.07 1jki s HIS 398 Ca 0.51 0.64 -0.05 0.00 -0.80 0.00 0.00 55.06 55.36 1jki s HIS 398 Cb -0.42 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1jki s HIS 398 CO 0.56 -0.35 0.09 0.00 -2.00 0.00 0.00 174.74 173.04 1jki s ILE 400 N -3.30 1.46 -0.07 0.00 1.09 -1.26 -0.84 121.20 118.28 1jki s ILE 400 Ca 0.01 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1jki s ILE 400 Cb 0.03 -1.34 0.02 0.00 -1.06 0.00 0.00 42.46 40.11 1jki s ILE 400 CO -0.08 0.43 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.46 1jki s VAL 401 N 1.05 0.65 -0.31 2.92 1.01 0.06 -5.03 120.40 120.76 1jki s VAL 401 Ca -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1jki s VAL 401 Cb -0.15 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.62 1jki s VAL 401 CO -0.02 0.28 0.05 -0.63 0.00 0.00 0.00 175.10 174.78 1jki s ILE 402 N 1.43 1.62 -0.01 2.22 1.01 -1.25 0.27 121.20 126.49 1jki s ILE 402 Ca -0.02 -1.79 0.03 0.00 0.00 0.00 0.00 60.65 58.87 1jki s ILE 402 Cb -0.13 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1jki s ILE 402 CO -0.03 -0.54 -0.09 -0.54 0.00 0.00 0.00 174.94 173.74 1jki s LYS 403 N 1.26 2.55 -0.64 2.79 -0.14 0.37 -4.81 119.74 121.12 1jki s LYS 403 Ca 0.07 -0.70 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 1jki s LYS 403 Cb -0.18 -2.48 0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1jki s LYS 403 CO -0.14 0.61 1.34 -0.47 -0.76 0.00 0.00 175.35 175.94 1jki s TYR 404 N -0.92 2.31 -0.72 3.18 5.04 -1.26 -2.74 117.35 122.23 1jki s TYR 404 Ca 0.15 0.28 0.03 0.00 -2.44 0.00 0.00 57.07 55.09 1jki s TYR 404 Cb -0.11 -4.49 0.18 0.00 0.35 0.00 0.00 41.96 37.89 1jki s TYR 404 CO 0.05 -1.95 0.53 -1.64 -1.34 0.00 0.00 175.55 171.20 1jki s MET 405 N 5.58 2.60 0.27 4.97 -1.94 -1.01 -4.97 119.30 124.80 1jki s MET 405 Ca 0.45 -3.19 -0.08 0.00 -1.71 0.00 0.00 55.69 51.16 1jki s MET 405 Cb -0.09 -3.56 0.43 0.00 2.01 0.00 0.00 34.83 33.62 1jki s MET 405 CO 0.21 -1.25 1.49 1.17 -0.01 0.00 0.00 175.02 176.63 1jki n LYS 406 N 2.29 -0.09 0.21 2.03 0.00 -1.26 -2.20 118.16 119.14 1jki n LYS 406 Ca 0.17 1.49 0.09 0.00 0.00 0.00 0.00 58.31 60.06 1jki n LYS 406 Cb 0.35 -2.22 0.49 0.00 0.00 0.00 0.00 35.03 33.65 1jki n LYS 406 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1jki h PRO 407 N 0.00 0.00 -0.14 1.64 0.11 -1.95 -1.06 132.00 130.59 1jki h PRO 407 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1jki h PRO 407 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1jki h PRO 407 CO -0.98 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.14 1jki n VAL 408 N -2.28 0.17 -3.38 3.15 0.24 -0.93 -5.03 118.33 110.26 1jki n VAL 408 Ca -0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1jki n VAL 408 Cb 0.32 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 1jki n VAL 408 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jki n GLY 409 N 1.27 2.42 0.00 7.63 0.00 -0.40 -1.96 105.19 114.14 1jki n GLY 409 Ca 0.17 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1jki n GLY 409 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jki n ASP 410 N -0.00 0.00 -4.77 1.61 -0.08 -1.26 0.65 116.55 112.70 1jki n ASP 410 Ca 0.00 -0.07 -0.41 0.00 -1.51 0.00 0.00 54.79 52.81 1jki n ASP 410 Cb 0.00 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.21 1jki n ASP 410 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1jki s SER 411 N -2.48 6.46 -0.06 1.67 0.01 -0.83 -2.26 113.70 116.21 1jki s SER 411 Ca 0.19 2.85 0.06 0.00 1.31 0.00 0.00 55.95 60.36 1jki s SER 411 Cb 0.12 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1jki s SER 411 CO 0.27 -0.77 -0.25 -0.75 0.41 0.00 0.00 173.24 172.15 1jki s LYS 412 N -2.03 2.56 -0.19 12.44 2.20 0.22 -3.86 119.74 131.06 1jki s LYS 412 Ca 0.53 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1jki s LYS 412 Cb -0.43 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1jki s LYS 412 CO 0.57 0.38 -0.08 0.08 -0.36 0.00 0.00 175.35 175.95 1jki s VAL 413 N -0.17 3.21 -0.02 4.02 1.01 -0.07 -2.33 120.40 126.06 1jki s VAL 413 Ca -0.03 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1jki s VAL 413 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1jki s VAL 413 CO 0.04 0.46 -0.20 0.00 0.00 0.00 0.00 175.10 175.40 1jki s ALA 414 N 1.16 1.64 -0.03 5.51 0.00 0.37 -2.86 121.76 127.55 1jki s ALA 414 Ca 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1jki s ALA 414 Cb -0.14 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1jki s ALA 414 CO -0.02 0.40 0.01 1.41 0.00 0.00 0.00 175.76 177.56 1jki s MET 415 N -0.45 0.21 -0.02 0.00 1.75 0.38 -0.15 119.30 121.02 1jki s MET 415 Ca 0.07 0.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.70 1jki s MET 415 Cb -0.08 -0.49 -0.01 0.00 2.84 0.00 0.00 34.83 37.10 1jki s MET 415 CO -0.01 -0.18 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.50 1jki s ASP 416 N 1.27 2.04 -0.10 1.11 1.11 -0.43 0.66 116.67 122.32 1jki s ASP 416 Ca -0.06 -0.32 0.03 0.00 0.18 0.00 0.00 52.55 52.39 1jki s ASP 416 Cb -0.13 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1jki s ASP 416 CO -0.02 0.21 -0.22 -0.70 1.18 0.00 0.00 175.17 175.61 1jki s GLU 417 N -0.35 2.85 -0.21 8.23 2.56 0.37 -1.80 118.70 130.34 1jki s GLU 417 Ca 0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 54.97 54.17 1jki s GLU 417 Cb -0.07 -2.19 -0.02 0.00 2.00 0.00 0.00 34.13 33.84 1jki s GLU 417 CO -0.00 0.12 -0.01 0.71 -0.56 0.00 0.00 175.26 175.52 1jki s TYR 418 N 0.48 3.02 -0.22 5.30 1.51 -0.01 -1.01 117.35 126.41 1jki s TYR 418 Ca -0.16 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 1jki s TYR 418 Cb -0.17 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1jki s TYR 418 CO 0.06 -0.32 -0.13 -0.47 -1.11 0.00 0.00 175.55 173.58 1jki s TYR 419 N 1.14 3.01 0.11 2.71 5.04 -0.74 0.52 117.35 129.14 1jki s TYR 419 Ca 0.03 -1.83 0.06 0.00 -2.44 0.00 0.00 57.07 52.89 1jki s TYR 419 Cb -0.14 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 1jki s TYR 419 CO 0.01 -0.81 -0.15 -1.12 -1.34 0.00 0.00 175.55 172.15 1jki s SER 420 N 1.24 1.99 0.17 4.32 0.01 -0.40 -1.97 113.70 119.06 1jki s SER 420 Ca -0.01 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.22 1jki s SER 420 Cb -0.16 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1jki s SER 420 CO -0.08 -0.11 0.88 -1.61 0.41 0.00 0.00 173.24 172.73 1jki s GLU 421 N -2.38 4.70 0.51 12.44 2.02 0.86 -0.29 118.70 136.55 1jki s GLU 421 Ca 0.06 1.33 0.05 0.00 0.02 0.00 0.00 54.97 56.44 1jki s GLU 421 Cb -0.07 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.87 1jki s GLU 421 CO 0.03 0.44 0.31 -0.51 0.02 0.00 0.00 175.26 175.55 1jki s LEU 422 N -0.78 2.73 0.52 1.80 1.43 -0.67 -2.63 118.68 121.08 1jki s LEU 422 Ca 0.40 -1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 1jki s LEU 422 Cb -0.24 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 1jki s LEU 422 CO 0.29 -0.97 1.20 0.00 0.23 0.00 0.00 176.35 177.10 1jki s MET 423 N -4.16 3.43 -1.20 1.70 0.23 -1.26 -4.10 119.30 113.94 1jki s MET 423 Ca 0.31 1.83 -0.06 0.00 -1.03 0.00 0.00 55.69 56.75 1jki s MET 423 Cb -0.01 -2.21 0.01 0.00 -1.53 0.00 0.00 34.83 31.08 1jki s MET 423 CO 0.19 -0.84 1.04 1.28 -2.03 0.00 0.00 175.02 174.66 1jki n LEU 424 N -0.94 -3.49 0.00 0.18 4.77 -1.26 -2.26 117.00 114.01 1jki n LEU 424 Ca 0.10 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1jki n LEU 424 Cb 0.48 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.71 1jki n LEU 424 CO 0.47 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1jki n GLY 425 N -1.64 2.80 3.28 -0.72 0.00 -1.26 -5.03 105.19 102.62 1jki n GLY 425 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1jki n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jki n GLY 426 N -1.05 -2.49 3.19 -0.02 0.00 -0.96 -4.85 105.19 99.01 1jki n GLY 426 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 1jki n GLY 426 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jki s HIS 427 N -2.25 0.29 -0.01 1.61 3.76 -1.26 -1.67 115.29 115.76 1jki s HIS 427 Ca 0.54 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.75 1jki s HIS 427 Cb -0.12 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.41 1jki s HIS 427 CO 0.67 -0.52 -0.10 1.21 -0.85 0.00 0.00 174.74 175.15 1jki s ASN 428 N -2.89 1.21 -0.19 1.40 3.84 0.60 -4.84 114.94 114.06 1jki s ASN 428 Ca 0.07 -0.19 0.01 0.00 0.21 0.00 0.00 52.86 52.97 1jki s ASN 428 Cb 0.06 -0.18 0.03 0.00 -0.55 0.00 0.00 41.25 40.60 1jki s ASN 428 CO -0.09 0.11 -0.18 -0.60 -2.79 0.00 0.00 177.10 173.55 1jki s ARG 429 N -0.14 2.82 -0.03 0.43 3.52 -1.26 -1.28 118.95 123.01 1jki s ARG 429 Ca 0.02 -0.90 0.06 0.00 -0.13 0.00 0.00 55.73 54.78 1jki s ARG 429 Cb -0.05 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 1jki s ARG 429 CO -0.00 -0.27 -0.21 0.42 -0.81 0.00 0.00 175.30 174.42 1jki s ILE 430 N 1.27 1.71 -0.02 4.11 1.01 0.18 -4.96 121.20 124.50 1jki s ILE 430 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1jki s ILE 430 Cb -0.14 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1jki s ILE 430 CO -0.12 0.48 -0.08 -0.94 0.00 0.00 0.00 174.94 174.29 1jki s SER 431 N -0.30 1.11 -0.13 3.58 1.04 -1.26 -0.83 113.70 116.91 1jki s SER 431 Ca 0.03 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1jki s SER 431 Cb -0.10 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1jki s SER 431 CO 0.01 0.05 -0.14 -0.51 0.98 0.00 0.00 173.24 173.63 1jki s ILE 432 N 0.23 2.89 -0.12 -1.02 2.07 -0.74 -4.97 121.20 119.53 1jki s ILE 432 Ca -0.03 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1jki s ILE 432 Cb -0.08 -2.21 -0.01 0.00 0.13 0.00 0.00 42.46 40.29 1jki s ILE 432 CO 0.00 0.52 -0.17 -2.28 -1.91 0.00 0.00 174.94 171.11 1jki s HIS 433 N 0.48 2.72 -0.06 3.50 5.65 -1.26 -1.32 115.29 125.00 1jki s HIS 433 Ca -0.10 -0.77 -0.00 0.00 0.25 0.00 0.00 55.06 54.44 1jki s HIS 433 Cb -0.16 -1.79 0.03 0.00 -1.18 0.00 0.00 32.58 29.48 1jki s HIS 433 CO 0.05 -0.27 -0.01 1.21 -0.65 0.00 0.00 174.74 175.06 1jki s ASN 434 N 0.31 1.30 -0.04 9.88 3.84 0.79 -4.95 114.94 126.07 1jki s ASN 434 Ca -0.13 -0.09 0.03 0.00 0.21 0.00 0.00 52.86 52.88 1jki s ASN 434 Cb -0.16 -0.43 0.00 0.00 -0.55 0.00 0.00 41.25 40.11 1jki s ASN 434 CO 0.07 -0.14 -0.12 0.54 -2.79 0.00 0.00 177.10 174.65 1jki s VAL 435 N 1.58 1.07 0.16 -5.21 0.11 -1.26 -0.48 120.40 116.37 1jki s VAL 435 Ca -0.01 -0.50 -0.24 0.00 -2.93 0.00 0.00 61.98 58.29 1jki s VAL 435 Cb -0.13 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.84 1jki s VAL 435 CO -0.03 0.32 0.96 0.00 -3.33 0.00 0.00 175.10 173.02 1jki s GLU 437 N -3.17 3.95 0.19 0.00 2.02 -1.26 0.71 118.70 121.13 1jki s GLU 437 Ca 0.13 0.84 -0.13 0.00 0.02 0.00 0.00 54.97 55.83 1jki s GLU 437 Cb -0.02 -3.78 0.20 0.00 0.10 0.00 0.00 34.13 30.64 1jki s GLU 437 CO 0.03 -0.98 1.68 0.22 0.02 0.00 0.00 175.26 176.23 1jki h ASP 438 N 8.37 -0.22 -0.12 -0.19 -0.00 -1.78 -1.93 116.42 120.56 1jki h ASP 438 Ca -0.22 0.12 0.04 0.00 -0.00 0.00 0.00 57.03 56.97 1jki h ASP 438 Cb 1.07 0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 40.61 1jki h ASP 438 CO 1.03 -0.08 0.10 0.28 -0.00 0.00 0.00 179.24 180.57 1jki h SER 439 N 0.12 0.00 0.29 2.28 0.02 -1.91 0.15 113.55 114.49 1jki h SER 439 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1jki h SER 439 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jki h SER 439 CO -0.43 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.44 1jki n LEU 440 N -4.24 0.00 -0.03 5.07 4.32 -0.73 -1.39 117.00 120.00 1jki n LEU 440 Ca -0.00 0.18 -0.04 0.00 -0.02 0.00 0.00 56.01 56.13 1jki n LEU 440 Cb 0.22 -0.18 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 1jki n LEU 440 CO 0.32 -0.04 -0.72 0.18 -1.22 0.00 0.00 177.39 175.91 1jki n LEU 441 N -1.18 2.37 -0.20 2.23 4.77 -0.50 -4.53 117.00 119.95 1jki n LEU 441 Ca 0.14 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1jki n LEU 441 Cb 0.15 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1jki n LEU 441 CO 0.17 0.52 0.95 0.00 -1.33 0.00 0.00 177.39 177.69 1jki h ALA 442 N 0.06 0.73 0.19 -1.18 0.00 -0.58 -2.87 119.26 115.61 1jki h ALA 442 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jki h ALA 442 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1jki h ALA 442 CO -0.02 0.37 -0.16 1.15 0.00 0.00 0.00 179.25 180.60 1jki h THR 443 N 0.78 0.65 0.00 0.00 2.02 -1.49 0.42 112.91 115.29 1jki h THR 443 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1jki h THR 443 Cb 0.25 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1jki h THR 443 CO -0.01 0.00 -0.09 1.55 0.37 0.00 0.00 175.52 177.34 1jki h PRO 444 N -0.37 0.00 -0.22 6.66 0.13 -1.79 -1.71 132.00 134.69 1jki h PRO 444 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1jki h PRO 444 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1jki h PRO 444 CO -0.02 0.09 0.13 1.25 -0.23 0.00 0.00 178.00 179.22 1jki h LEU 445 N 0.00 0.27 -0.83 1.56 6.46 -1.09 -1.21 115.31 120.47 1jki h LEU 445 Ca -0.00 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1jki h LEU 445 Cb 0.18 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1jki h LEU 445 CO 0.01 0.27 0.53 0.40 -0.62 0.00 0.00 178.44 179.03 1jki h ILE 446 N 0.26 1.11 -0.19 4.05 2.04 -0.05 -1.56 117.51 123.17 1jki h ILE 446 Ca 0.08 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1jki h ILE 446 Cb 0.05 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1jki h ILE 446 CO -0.01 0.19 0.09 0.40 0.00 0.00 0.00 178.15 178.81 1jki h ILE 447 N 1.02 1.14 -0.13 -0.67 2.04 -1.25 -2.30 117.51 117.36 1jki h ILE 447 Ca 0.34 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1jki h ILE 447 Cb 0.04 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1jki h ILE 447 CO -0.12 0.13 0.04 0.44 0.00 0.00 0.00 178.15 178.64 1jki h ASP 448 N 0.18 0.05 -0.90 1.72 3.32 -1.02 -1.28 116.42 118.48 1jki h ASP 448 Ca 0.07 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.28 1jki h ASP 448 Cb 0.13 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.59 1jki h ASP 448 CO -0.01 0.05 0.49 -0.07 -1.72 0.00 0.00 179.24 177.98 1jki h LEU 449 N 0.11 0.62 -0.06 1.55 3.38 -1.15 -0.42 115.31 119.33 1jki h LEU 449 Ca 0.05 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1jki h LEU 449 Cb 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1jki h LEU 449 CO -0.06 0.25 -0.10 -0.07 0.09 0.00 0.00 178.44 178.55 1jki h LEU 450 N 0.68 0.19 -2.00 1.67 3.38 -1.32 -1.10 115.31 116.81 1jki h LEU 450 Ca 0.49 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jki h LEU 450 Cb 0.70 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jki h LEU 450 CO -0.36 0.70 -0.04 0.58 0.09 0.00 0.00 178.44 179.41 1jki h VAL 451 N -0.31 0.94 0.14 1.22 2.07 -1.10 -0.74 116.25 118.47 1jki h VAL 451 Ca 0.00 -0.12 -0.36 0.00 0.82 0.00 0.00 66.70 67.04 1jki h VAL 451 Cb 0.66 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1jki h VAL 451 CO 0.02 0.03 -1.91 0.24 0.02 0.00 0.00 177.57 175.98 1jki h MET 452 N 0.00 0.29 -0.12 1.57 2.86 -1.03 -3.02 114.93 115.49 1jki h MET 452 Ca -0.00 -0.50 -0.07 0.00 -2.06 0.00 0.00 59.70 57.07 1jki h MET 452 Cb 0.07 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1jki h MET 452 CO 0.00 1.21 -0.24 0.00 1.06 0.00 0.00 176.91 178.95 1jki h THR 453 N 0.08 1.22 0.06 2.22 1.03 -1.06 -1.55 112.91 114.91 1jki h THR 453 Ca -0.39 -1.04 -0.00 0.00 -0.01 0.00 0.00 66.41 64.97 1jki h THR 453 Cb 2.05 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 70.53 1jki h THR 453 CO 0.12 0.31 -0.03 -0.08 -0.01 0.00 0.00 175.52 175.83 1jki h GLU 454 N 0.19 -0.08 -1.01 0.00 4.22 -1.26 -1.71 114.58 114.93 1jki h GLU 454 Ca 0.03 0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.72 1jki h GLU 454 Cb 0.53 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 1jki h GLU 454 CO 0.04 0.18 0.63 0.35 -2.18 0.00 0.00 179.01 178.03 1jki h PHE 455 N -0.33 0.86 -0.27 0.92 3.57 -1.35 -2.65 116.94 117.67 1jki h PHE 455 Ca -0.01 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1jki h PHE 455 Cb 0.30 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1jki h PHE 455 CO 0.01 0.10 -0.47 0.00 -2.23 0.00 0.00 178.31 175.72 1jki h THR 457 N 0.57 0.64 -0.44 0.00 1.35 -0.94 -1.71 112.91 112.39 1jki h THR 457 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1jki h THR 457 Cb 1.03 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1jki h THR 457 CO 0.10 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.91 1jki n ARG 458 N -4.04 2.11 -4.86 4.72 1.74 -1.08 -4.89 116.66 110.37 1jki n ARG 458 Ca -0.01 -1.62 -0.33 0.00 -0.77 0.00 0.00 57.85 55.12 1jki n ARG 458 Cb 0.19 -1.38 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 1jki n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jki s VAL 459 N -1.44 3.08 0.11 1.55 1.01 -0.64 -0.59 120.40 123.47 1jki s VAL 459 Ca 0.30 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1jki s VAL 459 Cb 0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1jki s VAL 459 CO 0.20 0.58 0.01 -0.94 0.00 0.00 0.00 175.10 174.94 1jki s SER 460 N -0.49 0.65 0.13 3.32 1.04 0.30 -4.41 113.70 114.24 1jki s SER 460 Ca 0.06 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.31 1jki s SER 460 Cb -0.12 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1jki s SER 460 CO 0.02 -0.63 0.19 -0.72 0.98 0.00 0.00 173.24 173.08 1jki s TYR 461 N -3.88 0.46 -0.02 5.02 -0.85 0.15 0.76 117.35 118.99 1jki s TYR 461 Ca 0.18 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1jki s TYR 461 Cb 0.07 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.25 1jki s TYR 461 CO -0.02 -0.62 -0.01 0.21 -1.52 0.00 0.00 175.55 173.59 1jki s LYS 462 N -3.96 0.26 0.30 -3.49 2.20 0.32 -0.17 119.74 115.20 1jki s LYS 462 Ca 0.16 -0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1jki s LYS 462 Cb 0.05 -0.34 -0.10 0.00 -1.51 0.00 0.00 37.83 35.93 1jki s LYS 462 CO -0.02 -0.03 1.21 0.15 -0.36 0.00 0.00 175.35 176.29 1jki s LYS 463 N 0.46 4.49 -0.05 4.03 1.02 -1.26 0.13 119.74 128.56 1jki s LYS 463 Ca -0.04 2.01 0.04 0.00 0.02 0.00 0.00 55.97 58.00 1jki s LYS 463 Cb -0.07 -3.13 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1jki s LYS 463 CO -0.01 0.00 -0.18 0.08 -0.92 0.00 0.00 175.35 174.32 1jki s VAL 464 N -1.10 1.53 -0.28 3.17 1.01 -0.39 -4.05 120.40 120.29 1jki s VAL 464 Ca 0.47 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1jki s VAL 464 Cb -0.36 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1jki s VAL 464 CO 0.47 0.44 0.28 -0.62 0.00 0.00 0.00 175.10 175.67 1jki s ASP 465 N 0.11 6.13 0.26 3.32 -1.08 -1.26 -4.05 116.67 120.10 1jki s ASP 465 Ca -0.06 0.11 -0.04 0.00 -0.52 0.00 0.00 52.55 52.04 1jki s ASP 465 Cb -0.13 -2.16 0.34 0.00 -1.46 0.00 0.00 42.92 39.51 1jki s ASP 465 CO 0.03 -0.13 1.90 1.55 0.52 0.00 0.00 175.17 179.05 1jki h PRO 466 N 8.28 1.22 0.03 4.34 0.13 -1.98 -3.25 132.00 140.77 1jki h PRO 466 Ca -0.33 -0.07 -0.22 0.00 -0.87 0.00 0.00 66.00 64.51 1jki h PRO 466 Cb 1.17 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1jki h PRO 466 CO 0.60 0.81 -0.97 -0.39 -0.23 0.00 0.00 178.00 177.82 1jki h VAL 467 N 1.26 1.50 -2.71 1.56 -1.51 -2.02 -3.35 116.25 110.98 1jki h VAL 467 Ca 0.41 -2.75 -0.74 0.00 -1.23 0.00 0.00 66.70 62.39 1jki h VAL 467 Cb 0.03 2.58 -0.20 0.00 -2.13 0.00 0.00 31.29 31.57 1jki h VAL 467 CO -0.13 0.80 0.84 -0.75 -1.23 0.00 0.00 177.57 177.10 1jki s LYS 468 N -3.07 3.86 -0.88 5.19 2.20 -1.23 -4.95 119.74 120.87 1jki s LYS 468 Ca -0.03 -2.37 -0.23 0.00 -0.36 0.00 0.00 55.97 52.98 1jki s LYS 468 Cb 0.09 -4.84 -0.19 0.00 -1.51 0.00 0.00 37.83 31.38 1jki s LYS 468 CO 0.84 -1.62 2.11 0.39 -0.36 0.00 0.00 175.35 176.71 1jki n GLU 469 N 5.28 0.23 0.00 4.03 1.02 -1.26 -3.95 120.64 125.99 1jki n GLU 469 Ca 0.27 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 1jki n GLU 469 Cb 0.45 -3.39 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 1jki n GLU 469 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jki n ASP 470 N 17.20 0.00 0.00 1.62 -0.08 -1.26 -5.12 116.55 128.91 1jki n ASP 470 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1jki n ASP 470 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1jki n ASP 470 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jki n ALA 471 N 2.32 0.00 -0.88 -1.67 0.00 -1.25 -5.00 120.51 114.04 1jki n ALA 471 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jki n ALA 471 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jki n ALA 471 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jki n GLY 472 N 0.73 0.47 3.30 0.00 0.00 -1.26 -4.94 105.19 103.50 1jki n GLY 472 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.15 1jki n GLY 472 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jki s LYS 473 N 0.00 0.03 -0.33 1.61 2.20 -1.26 -5.07 119.74 116.92 1jki s LYS 473 Ca 0.00 0.06 -0.40 0.00 -0.36 0.00 0.00 55.97 55.28 1jki s LYS 473 Cb 0.00 0.03 -0.15 0.00 -1.51 0.00 0.00 37.83 36.20 1jki s LYS 473 CO 0.00 -0.01 1.88 1.19 -0.36 0.00 0.00 175.35 178.05 1jki n PHE 474 N 4.14 1.85 -4.42 4.03 3.01 -1.26 -4.77 117.46 120.04 1jki n PHE 474 Ca -0.09 0.53 -0.26 0.00 1.01 0.00 0.00 57.45 58.63 1jki n PHE 474 Cb 0.56 -2.45 -0.09 0.00 -0.01 0.00 0.00 39.48 37.49 1jki n PHE 474 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jki s GLU 475 N 4.40 2.06 0.33 -1.08 2.02 0.76 -4.84 118.70 122.34 1jki s GLU 475 Ca 1.04 -1.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 1jki s GLU 475 Cb -1.09 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1jki s GLU 475 CO 0.63 -0.05 0.55 -0.80 0.02 0.00 0.00 175.26 175.61 1jki s ASN 476 N -3.78 6.34 0.17 -0.19 0.02 -1.26 0.31 114.94 116.55 1jki s ASN 476 Ca 0.37 0.54 -0.29 0.00 -1.02 0.00 0.00 52.86 52.46 1jki s ASN 476 Cb 0.07 -2.07 -0.17 0.00 0.02 0.00 0.00 41.25 39.10 1jki s ASN 476 CO 0.20 -0.26 0.58 0.49 0.02 0.00 0.00 177.10 178.12 1jki n PHE 477 N -1.50 -0.33 -1.61 2.20 3.72 -1.26 -4.77 117.46 113.90 1jki n PHE 477 Ca -0.04 0.96 -0.54 0.00 -0.05 0.00 0.00 57.45 57.78 1jki n PHE 477 Cb 0.55 -1.93 -0.07 0.00 -0.94 0.00 0.00 39.48 37.09 1jki n PHE 477 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1jki n TYR 478 N 0.19 1.51 -0.24 1.38 4.19 -1.26 -4.78 117.16 118.15 1jki n TYR 478 Ca 0.18 0.69 0.03 0.00 3.31 0.00 0.00 57.90 62.11 1jki n TYR 478 Cb 0.22 -2.32 0.08 0.00 0.49 0.00 0.00 39.34 37.81 1jki n TYR 478 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1jki n PRO 479 N 2.97 -0.07 -1.90 2.98 -0.02 -1.26 -3.88 135.00 133.82 1jki n PRO 479 Ca 0.20 1.05 -0.23 0.00 -2.02 0.00 0.00 63.50 62.50 1jki n PRO 479 Cb 0.16 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 1jki n PRO 479 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jki s VAL 480 N -5.82 3.33 -0.97 -1.45 1.01 -1.26 -2.22 120.40 113.03 1jki s VAL 480 Ca -0.10 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1jki s VAL 480 Cb 0.18 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.36 1jki s VAL 480 CO 0.52 -0.66 2.22 0.18 0.00 0.00 0.00 175.10 177.36 1jki n LEU 481 N 15.84 1.46 0.00 3.92 4.77 -0.64 -4.60 117.00 137.75 1jki n LEU 481 Ca 0.43 -2.10 0.12 0.00 -0.03 0.00 0.00 56.01 54.43 1jki n LEU 481 Cb 0.46 -1.70 0.61 0.00 -2.33 0.00 0.00 43.42 40.47 1jki n LEU 481 CO 0.61 -3.28 0.92 0.35 -1.33 0.00 0.00 177.39 174.65 1jki n THR 482 N 8.96 0.21 0.28 -5.08 -2.24 -1.26 -2.46 114.28 112.69 1jki n THR 482 Ca 0.43 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 1jki n THR 482 Cb 0.45 -0.63 0.78 0.00 -2.10 0.00 0.00 70.33 68.83 1jki n THR 482 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1jki h PHE 483 N 0.00 0.00 -0.20 4.78 0.05 -1.98 -1.16 116.94 118.43 1jki h PHE 483 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1jki h PHE 483 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 1jki h PHE 483 CO 0.00 0.04 0.00 1.28 -0.18 0.00 0.00 178.31 179.45 1jki n LEU 484 N -4.01 1.24 -0.29 1.54 4.32 -1.03 -4.15 117.00 114.62 1jki n LEU 484 Ca -0.03 -0.59 0.17 0.00 -0.02 0.00 0.00 56.01 55.54 1jki n LEU 484 Cb 0.13 -0.13 0.44 0.00 -1.62 0.00 0.00 43.42 42.23 1jki n LEU 484 CO 0.30 0.29 1.22 0.28 -1.22 0.00 0.00 177.39 178.26 1jki h SER 485 N 1.45 0.56 -1.40 -1.43 0.02 -1.40 0.30 113.55 111.64 1jki h SER 485 Ca 0.00 0.06 0.42 0.00 -0.84 0.00 0.00 61.79 61.44 1jki h SER 485 Cb 0.33 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.73 1jki h SER 485 CO 0.00 0.21 0.96 0.22 -1.14 0.00 0.00 176.83 177.08 1jki h TYR 486 N 0.55 0.31 -0.37 3.45 5.03 -1.82 -1.01 116.97 123.11 1jki h TYR 486 Ca 0.52 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.84 1jki h TYR 486 Cb 1.09 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1jki h TYR 486 CO -0.00 -0.08 0.00 0.91 -1.32 0.00 0.00 178.16 177.67 1jki n TRP 487 N -4.40 0.65 -3.83 -3.82 8.01 0.10 -4.92 117.44 109.23 1jki n TRP 487 Ca 0.35 -0.58 -0.26 0.00 -1.31 0.00 0.00 57.50 55.70 1jki n TRP 487 Cb 1.45 -0.09 -0.17 0.00 -2.01 0.00 0.00 31.31 30.49 1jki n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1jki s LEU 488 N -1.40 1.11 0.29 -0.99 1.43 -0.38 -0.05 118.68 118.69 1jki s LEU 488 Ca 0.30 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1jki s LEU 488 Cb 0.18 -0.70 0.71 0.00 0.03 0.00 0.00 46.19 46.42 1jki s LEU 488 CO 0.16 -0.19 1.65 0.50 0.23 0.00 0.00 176.35 178.70 1jki h LYS 489 N 8.22 0.20 -3.26 1.70 3.64 -1.35 -3.12 116.57 122.61 1jki h LYS 489 Ca -0.23 -0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.48 1jki h LYS 489 Cb 1.12 -0.05 -0.39 0.00 -0.41 0.00 0.00 32.23 32.51 1jki h LYS 489 CO 0.35 0.14 -0.41 0.00 -2.27 0.00 0.00 179.45 177.25 1jki s ALA 490 N -5.93 3.85 0.08 5.00 0.00 -0.42 -4.82 121.76 119.51 1jki s ALA 490 Ca -0.12 -3.69 -0.32 0.00 0.00 0.00 0.00 51.96 47.83 1jki s ALA 490 Cb 0.26 -2.43 -0.11 0.00 0.00 0.00 0.00 23.12 20.84 1jki s ALA 490 CO 0.77 -2.10 1.84 -2.30 0.00 0.00 0.00 175.76 173.97 1jki n PRO 491 N 2.42 2.63 -2.20 0.00 -0.02 -1.18 -3.85 135.00 132.80 1jki n PRO 491 Ca 0.17 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.27 1jki n PRO 491 Cb 0.35 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1jki n PRO 491 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jki s LEU 492 N 3.04 3.65 0.07 2.45 2.96 -0.71 -4.83 118.68 125.31 1jki s LEU 492 Ca 0.85 1.99 -0.00 0.00 -0.22 0.00 0.00 54.13 56.74 1jki s LEU 492 Cb -0.53 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.56 1jki s LEU 492 CO 0.41 -1.15 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.37 1jki s THR 493 N -2.10 0.31 0.19 3.68 2.01 -1.26 -4.80 115.64 113.68 1jki s THR 493 Ca 0.68 -1.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1jki s THR 493 Cb -0.19 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 1jki s THR 493 CO 0.30 -0.88 1.05 0.00 -0.69 0.00 0.00 174.62 174.40 1jki s ARG 494 N -3.92 4.66 0.00 4.92 1.70 -1.26 -4.86 118.95 120.19 1jki s ARG 494 Ca 0.11 1.65 0.00 0.00 -0.47 0.00 0.00 55.73 57.02 1jki s ARG 494 Cb 0.07 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 1jki s ARG 494 CO -0.07 0.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.99 1jki n PRO 495 N 2.11 0.00 0.00 3.89 -0.04 -1.26 -1.10 135.00 138.60 1jki n PRO 495 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1jki n PRO 495 Cb 0.47 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1jki n PRO 495 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jki n GLY 496 N 0.85 0.09 3.74 0.55 0.00 -1.26 -5.14 105.19 104.02 1jki n GLY 496 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jki n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jki s PHE 497 N 0.00 3.28 0.52 1.61 0.40 -0.26 -5.09 117.98 118.44 1jki s PHE 497 Ca 0.00 0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1jki s PHE 497 Cb 0.00 -1.82 -0.07 0.00 0.51 0.00 0.00 43.02 41.64 1jki s PHE 497 CO 0.00 0.54 1.00 -1.01 0.70 0.00 0.00 175.22 176.45 1jki s HIS 498 N -0.96 3.35 0.50 0.36 3.76 -1.26 -4.72 115.29 116.32 1jki s HIS 498 Ca 0.15 1.49 -0.21 0.00 -0.15 0.00 0.00 55.06 56.34 1jki s HIS 498 Cb -0.12 -2.84 -0.07 0.00 1.11 0.00 0.00 32.58 30.66 1jki s HIS 498 CO 0.04 -0.49 1.09 -1.25 -0.85 0.00 0.00 174.74 173.28 1jki s PRO 499 N -3.99 3.65 -0.26 8.40 0.04 -1.26 -5.02 135.00 136.55 1jki s PRO 499 Ca 0.60 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 1jki s PRO 499 Cb -0.11 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1jki s PRO 499 CO 0.31 -0.59 0.04 0.54 0.04 0.00 0.00 177.00 177.34 1jki s VAL 500 N -1.82 3.82 -1.59 -0.36 0.11 -1.26 -5.00 120.40 114.30 1jki s VAL 500 Ca 0.68 -0.56 0.16 0.00 -2.93 0.00 0.00 61.98 59.33 1jki s VAL 500 Cb -0.21 -2.88 0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1jki s VAL 500 CO 0.25 0.22 0.88 0.59 -3.33 0.00 0.00 175.10 173.71 1jki n ASN 501 N 4.85 1.79 -4.54 3.54 5.03 -1.26 -4.93 115.26 119.74 1jki n ASN 501 Ca -0.16 -1.40 -0.36 0.00 0.87 0.00 0.00 54.58 53.54 1jki n ASN 501 Cb 0.49 0.34 -0.07 0.00 -1.02 0.00 0.00 39.78 39.53 1jki n ASN 501 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jki n GLY 502 N 1.07 -0.02 0.38 7.41 0.00 -1.26 -4.86 105.19 107.91 1jki n GLY 502 Ca 0.07 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 1jki n GLY 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jki h LEU 503 N 17.83 -1.40 -1.91 0.99 5.85 -1.89 0.13 115.31 134.90 1jki h LEU 503 Ca -0.17 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1jki h LEU 503 Cb 1.26 0.71 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 1jki h LEU 503 CO 1.22 -0.29 -0.07 0.78 -0.34 0.00 0.00 178.44 179.74 1jki h ASN 504 N -0.06 0.00 1.19 1.25 2.35 -1.96 -2.29 115.58 116.06 1jki h ASN 504 Ca 0.30 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1jki h ASN 504 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1jki h ASN 504 CO -0.89 0.07 -0.82 0.11 -1.65 0.00 0.00 177.43 174.24 1jki h LYS 505 N 0.00 0.00 -0.02 0.81 1.57 -1.16 -2.59 116.57 115.18 1jki h LYS 505 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1jki h LYS 505 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1jki h LYS 505 CO 0.01 0.76 -0.80 1.96 -0.57 0.00 0.00 179.45 180.80 1jki h GLN 506 N 0.00 0.26 0.09 3.15 4.20 -0.84 -2.59 115.11 119.37 1jki h GLN 506 Ca -0.02 -0.24 -0.26 0.00 0.06 0.00 0.00 58.65 58.18 1jki h GLN 506 Cb 1.61 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.46 1jki h GLN 506 CO 0.10 0.93 -1.14 -0.09 -0.67 0.00 0.00 178.83 177.96 1jki h ARG 507 N 0.16 0.39 -1.00 1.46 2.43 -1.49 -3.08 114.38 113.25 1jki h ARG 507 Ca -0.04 -0.54 0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1jki h ARG 507 Cb 1.40 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 1jki h ARG 507 CO 0.13 1.21 0.66 1.15 -1.51 0.00 0.00 179.97 181.61 1jki h THR 508 N 0.17 1.21 -0.67 0.20 2.02 -1.45 0.08 112.91 114.47 1jki h THR 508 Ca -0.13 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1jki h THR 508 Cb 1.82 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1jki h THR 508 CO 0.20 0.24 0.44 0.00 0.37 0.00 0.00 175.52 176.77 1jki h ALA 509 N 1.40 1.63 0.21 6.16 0.00 -1.45 -0.97 119.26 126.23 1jki h ALA 509 Ca 0.39 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.98 1jki h ALA 509 Cb -0.06 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.53 1jki h ALA 509 CO -0.11 0.30 -1.26 -0.07 0.00 0.00 0.00 179.25 178.11 1jki h LEU 510 N 0.80 0.68 -0.62 0.00 3.38 -1.16 -2.70 115.31 115.69 1jki h LEU 510 Ca 0.27 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 57.18 1jki h LEU 510 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jki h LEU 510 CO -0.07 1.60 -0.32 1.05 0.09 0.00 0.00 178.44 180.79 1jki h GLU 511 N -0.06 0.74 -0.80 1.13 4.11 -0.79 -1.60 114.58 117.32 1jki h GLU 511 Ca -0.23 -0.34 0.03 0.00 0.07 0.00 0.00 59.36 58.89 1jki h GLU 511 Cb 1.96 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.15 1jki h GLU 511 CO 0.22 0.96 0.51 -0.91 0.07 0.00 0.00 179.01 179.86 1jki h ASN 512 N 0.63 0.86 0.06 3.06 -0.26 -1.30 0.23 115.58 118.85 1jki h ASN 512 Ca 0.07 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1jki h ASN 512 Cb 0.84 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1jki h ASN 512 CO 0.07 0.60 -0.05 0.15 -1.06 0.00 0.00 177.43 177.14 1jki h PHE 513 N 1.01 -0.13 -0.44 1.19 -0.00 -1.35 0.16 116.94 117.38 1jki h PHE 513 Ca 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.25 1jki h PHE 513 Cb -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 35.95 35.96 1jki h PHE 513 CO -0.03 -0.08 0.14 -0.07 -0.00 0.00 0.00 178.31 178.27 1jki h LEU 514 N -0.12 0.64 -0.48 0.59 3.38 -0.86 -2.11 115.31 116.35 1jki h LEU 514 Ca 0.00 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1jki h LEU 514 Cb 0.11 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1jki h LEU 514 CO -0.01 0.67 0.05 0.03 0.09 0.00 0.00 178.44 179.27 1jki h ARG 515 N 0.58 0.17 -0.20 1.13 3.08 -0.31 -2.53 114.38 116.30 1jki h ARG 515 Ca 0.14 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1jki h ARG 515 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1jki h ARG 515 CO -0.01 0.11 -0.29 1.25 -1.07 0.00 0.00 179.97 179.96 1jki h LEU 516 N 0.17 0.40 -1.22 3.04 6.46 -0.41 -1.25 115.31 122.50 1jki h LEU 516 Ca 0.24 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1jki h LEU 516 Cb 0.34 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1jki h LEU 516 CO -0.36 0.69 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.05 1jki h LEU 517 N 0.35 0.47 -3.98 2.25 3.38 -0.96 0.20 115.31 117.02 1jki h LEU 517 Ca 0.05 -0.09 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 1jki h LEU 517 Cb 0.70 -0.12 -0.30 0.00 0.09 0.00 0.00 40.66 41.02 1jki h LEU 517 CO 0.05 0.56 0.65 2.30 0.09 0.00 0.00 178.44 182.09 1jki n ILE 518 N -4.27 3.21 -1.56 1.22 -5.35 -0.89 -4.84 119.36 106.88 1jki n ILE 518 Ca 0.01 -1.99 -0.10 0.00 -0.27 0.00 0.00 62.75 60.41 1jki n ILE 518 Cb 0.26 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.63 1jki n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jki n GLY 519 N -1.14 0.79 3.62 3.28 0.00 0.06 -4.74 105.19 107.05 1jki n GLY 519 Ca 0.59 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1jki n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jki s LEU 520 N -2.46 3.23 0.75 0.99 1.43 -0.52 -4.98 118.68 117.13 1jki s LEU 520 Ca 0.00 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1jki s LEU 520 Cb 0.00 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.33 1jki s LEU 520 CO 0.00 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.75 1jki s PRO 521 N -1.93 2.24 0.46 1.29 0.04 -1.26 -3.23 135.00 132.61 1jki s PRO 521 Ca 0.21 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 61.12 1jki s PRO 521 Cb -0.11 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1jki s PRO 521 CO 0.13 -1.36 0.88 0.43 0.04 0.00 0.00 177.00 177.12 1jki n SER 522 N -3.13 0.62 -4.76 6.66 7.64 -1.26 -4.88 113.62 114.50 1jki n SER 522 Ca 0.08 0.95 -0.40 0.00 1.01 0.00 0.00 58.87 60.51 1jki n SER 522 Cb 0.60 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 1jki n SER 522 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jki s GLN 523 N -2.05 4.44 -0.02 1.43 -1.52 -1.26 -4.91 119.66 115.77 1jki s GLN 523 Ca 0.65 1.94 0.06 0.00 -1.95 0.00 0.00 55.36 56.06 1jki s GLN 523 Cb -0.54 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.12 1jki s GLN 523 CO 0.55 -0.02 0.10 0.27 -0.25 0.00 0.00 175.29 175.95 1jki n ASN 524 N 0.85 3.69 0.00 5.90 0.23 -1.26 -5.00 115.26 119.67 1jki n ASN 524 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jki n ASN 524 Cb 0.44 1.13 0.00 0.00 -2.08 0.00 0.00 39.78 39.27 1jki n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jki n GLU 525 N -1.80 -1.11 0.24 -3.83 -0.58 -1.26 -4.91 120.64 107.39 1jki n GLU 525 Ca -0.03 0.28 0.16 0.00 -0.42 0.00 0.00 57.16 57.15 1jki n GLU 525 Cb 0.26 -4.21 0.67 0.00 -0.57 0.00 0.00 31.44 27.59 1jki n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1jki h LEU 526 N 0.00 0.00 -1.97 -4.62 3.38 -2.01 -3.47 115.31 106.62 1jki h LEU 526 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1jki h LEU 526 Cb 0.56 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.10 1jki h LEU 526 CO 0.00 0.00 -0.86 0.54 0.09 0.00 0.00 178.44 178.21 1jki n ARG 527 N -2.86 -0.92 0.18 1.13 1.74 -1.26 -4.79 116.66 109.88 1jki n ARG 527 Ca 0.01 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 1jki n ARG 527 Cb 0.27 -3.31 0.64 0.00 -1.02 0.00 0.00 32.46 29.04 1jki n ARG 527 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1jki h PHE 528 N -1.40 0.00 0.00 -1.55 0.04 -1.94 0.14 116.94 112.24 1jki h PHE 528 Ca -0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.19 1jki h PHE 528 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1jki h PHE 528 CO 0.48 0.00 0.00 -0.85 -0.60 0.00 0.00 178.31 177.34 1jki n GLU 529 N -2.35 0.51 -0.06 1.51 0.00 -1.26 -2.08 120.64 116.91 1jki n GLU 529 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 57.16 57.09 1jki n GLU 529 Cb 0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 29.96 1jki n GLU 529 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jki n GLU 530 N -1.22 0.28 0.00 3.44 0.00 0.45 -4.60 120.64 118.99 1jki n GLU 530 Ca 0.15 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.51 1jki n GLU 530 Cb 0.19 -1.22 0.83 0.00 0.00 0.00 0.00 31.44 31.24 1jki n GLU 530 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1jki n ARG 531 N -2.83 0.96 0.00 5.31 0.63 -0.85 -4.83 116.66 115.04 1jki n ARG 531 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1jki n ARG 531 Cb 0.71 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.16 1jki n ARG 531 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1jki n LEU 532 N -0.96 0.00 0.00 6.15 4.32 -0.88 -4.99 117.00 120.64 1jki n LEU 532 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1jki n LEU 532 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1jki n LEU 532 CO 0.16 0.00 0.00 -0.11 -1.22 0.00 0.00 177.39 176.22