#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gke s THR 3 N 0.00 5.16 0.14 0.00 -4.23 -1.26 -5.08 115.64 110.37 3gke s THR 3 Ca 0.00 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 61.01 3gke s THR 3 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3gke s THR 3 CO 0.00 0.06 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.58 3gke s PHE 4 N 2.09 1.80 -0.69 3.99 0.08 -1.26 -5.09 117.98 118.90 3gke s PHE 4 Ca 0.15 -0.45 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 3gke s PHE 4 Cb -0.16 -0.93 0.06 0.00 -0.57 0.00 0.00 43.02 41.42 3gke s PHE 4 CO 0.11 0.28 1.07 0.08 -0.10 0.00 0.00 175.22 176.66 3gke s VAL 5 N -1.72 4.13 -0.02 -0.44 1.01 -1.26 -4.91 120.40 117.19 3gke s VAL 5 Ca 0.12 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.09 3gke s VAL 5 Cb -0.07 -4.76 -0.15 0.00 0.00 0.00 0.00 36.38 31.40 3gke s VAL 5 CO 0.06 -1.59 1.07 0.03 0.00 0.00 0.00 175.10 174.67 3gke h ARG 6 N 9.71 0.00 -3.93 2.72 3.08 -1.96 -3.38 114.38 120.63 3gke h ARG 6 Ca -0.28 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.03 3gke h ARG 6 Cb 1.06 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.99 3gke h ARG 6 CO 1.22 0.64 2.24 0.09 -1.07 0.00 0.00 179.97 183.08 3gke n ASN 7 N -3.16 4.79 -3.54 7.04 3.02 -1.26 -1.52 115.26 120.63 3gke n ASN 7 Ca -0.06 -3.02 -0.08 0.00 -0.03 0.00 0.00 54.58 51.40 3gke n ASN 7 Cb 0.91 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 3gke n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gke s ALA 8 N 1.47 -1.79 0.01 5.41 0.00 -1.26 -5.03 121.76 120.56 3gke s ALA 8 Ca 0.43 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 3gke s ALA 8 Cb 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 3gke s ALA 8 CO -0.01 -0.75 0.53 -1.58 0.00 0.00 0.00 175.76 173.95 3gke s TRP 9 N -3.17 3.71 0.04 0.00 0.52 -1.26 -3.96 118.94 114.83 3gke s TRP 9 Ca 0.06 1.14 0.06 0.00 0.02 0.00 0.00 56.10 57.38 3gke s TRP 9 Cb -0.01 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3gke s TRP 9 CO -0.07 0.47 -0.17 0.71 0.02 0.00 0.00 176.95 177.91 3gke s TYR 10 N -0.59 1.49 -0.08 -1.98 2.02 -0.29 -4.71 117.35 113.21 3gke s TYR 10 Ca 0.28 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 3gke s TYR 10 Cb -0.18 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 3gke s TYR 10 CO 0.16 0.07 1.29 0.08 -1.57 0.00 0.00 175.55 175.58 3gke s VAL 11 N -0.84 4.11 -0.07 0.71 1.01 -1.26 -0.47 120.40 123.59 3gke s VAL 11 Ca 0.04 1.42 0.20 0.00 0.00 0.00 0.00 61.98 63.64 3gke s VAL 11 Cb -0.08 -3.91 -0.31 0.00 0.00 0.00 0.00 36.38 32.07 3gke s VAL 11 CO 0.02 -0.05 0.38 0.00 0.00 0.00 0.00 175.10 175.44 3gke n ALA 12 N 5.84 2.51 -3.50 5.51 0.00 0.02 -4.71 120.51 126.19 3gke n ALA 12 Ca 0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 3gke n ALA 12 Cb 0.45 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 3gke n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gke s ALA 13 N -3.26 -1.81 0.16 0.00 0.00 -1.24 -5.04 121.76 110.58 3gke s ALA 13 Ca -0.08 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 3gke s ALA 13 Cb 0.12 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.60 3gke s ALA 13 CO 0.87 -0.69 0.58 -0.51 0.00 0.00 0.00 175.76 176.01 3gke s LEU 14 N -2.47 4.33 0.35 0.00 1.43 -1.26 -1.74 118.68 119.32 3gke s LEU 14 Ca 0.04 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 3gke s LEU 14 Cb -0.01 -3.33 0.78 0.00 0.03 0.00 0.00 46.19 43.66 3gke s LEU 14 CO -0.09 0.09 1.89 1.55 0.23 0.00 0.00 176.35 180.02 3gke h PRO 15 N 3.51 0.71 0.00 1.29 0.13 -1.90 0.12 132.00 135.87 3gke h PRO 15 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3gke h PRO 15 Cb 1.19 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gke h PRO 15 CO 0.66 0.47 0.00 -0.85 -0.23 0.00 0.00 178.00 178.05 3gke n GLU 16 N -4.54 0.01 0.12 0.86 0.00 -1.26 -1.80 120.64 114.03 3gke n GLU 16 Ca 0.16 0.32 0.13 0.00 0.00 0.00 0.00 57.16 57.77 3gke n GLU 16 Cb 0.40 -1.52 0.38 0.00 0.00 0.00 0.00 31.44 30.70 3gke n GLU 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3gke h GLU 17 N 0.00 0.00 -6.25 3.44 5.08 -1.14 -3.47 114.58 112.24 3gke h GLU 17 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3gke h GLU 17 Cb 0.19 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 3gke h GLU 17 CO 0.00 0.00 -0.60 -0.51 -1.00 0.00 0.00 179.01 176.90 3gke s LEU 18 N -4.70 3.60 0.00 1.33 1.43 -0.74 -4.90 118.68 114.70 3gke s LEU 18 Ca 0.10 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3gke s LEU 18 Cb 0.12 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3gke s LEU 18 CO 0.60 0.06 0.00 -1.54 0.23 0.00 0.00 176.35 175.70 3gke n SER 19 N -0.36 0.00 0.10 2.29 3.41 -1.26 -4.87 113.62 112.94 3gke n SER 19 Ca -0.09 -0.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.98 3gke n SER 19 Cb 0.55 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.96 3gke n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gke n GLU 20 N 0.00 0.18 -3.01 4.33 1.02 -1.25 -0.71 120.64 121.21 3gke n GLU 20 Ca 0.00 0.32 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 3gke n GLU 20 Cb 0.00 -1.80 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 3gke n GLU 20 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gke s LYS 21 N -3.21 3.94 0.60 3.49 2.20 -1.26 -4.52 119.74 120.98 3gke s LYS 21 Ca 0.07 0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 55.97 3gke s LYS 21 Cb 0.11 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3gke s LYS 21 CO 0.44 -0.64 1.27 -2.14 -0.36 0.00 0.00 175.35 173.92 3gke s PRO 22 N 2.83 2.87 -0.21 4.03 0.02 -1.26 -4.88 135.00 138.40 3gke s PRO 22 Ca 0.30 2.01 -0.06 0.00 0.02 0.00 0.00 61.00 63.26 3gke s PRO 22 Cb -0.14 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3gke s PRO 22 CO 0.12 -1.34 0.03 -1.17 -0.33 0.00 0.00 177.00 174.31 3gke s LEU 23 N -4.03 3.37 -0.26 -5.54 2.96 -0.11 -4.92 118.68 110.15 3gke s LEU 23 Ca 0.78 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 54.33 3gke s LEU 23 Cb -0.35 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3gke s LEU 23 CO 0.39 0.05 0.53 -0.83 -1.32 0.00 0.00 176.35 175.17 3gke s GLY 24 N 1.12 1.84 -0.06 7.98 0.00 -1.26 -0.95 107.32 115.99 3gke s GLY 24 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 3gke s GLY 24 CO 0.02 1.26 0.17 -1.60 0.00 0.00 0.00 173.10 172.95 3gke s ARG 25 N 2.32 0.21 -0.22 2.90 3.52 -0.67 -4.98 118.95 122.04 3gke s ARG 25 Ca 0.22 0.20 -0.10 0.00 -0.13 0.00 0.00 55.73 55.92 3gke s ARG 25 Cb -0.16 0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 3gke s ARG 25 CO 0.09 -0.03 0.14 0.99 -0.81 0.00 0.00 175.30 175.68 3gke s THR 26 N 0.01 5.37 -0.03 4.11 2.01 -1.26 -0.47 115.64 125.37 3gke s THR 26 Ca -0.01 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.22 3gke s THR 26 Cb -0.02 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3gke s THR 26 CO 0.00 0.40 -0.18 0.27 -0.69 0.00 0.00 174.62 174.42 3gke s ILE 27 N 0.68 1.50 -1.44 1.82 -4.36 -0.47 -4.52 121.20 114.42 3gke s ILE 27 Ca 0.08 -0.78 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 3gke s ILE 27 Cb -0.12 -1.27 0.03 0.00 1.25 0.00 0.00 42.46 42.34 3gke s ILE 27 CO 0.01 0.43 0.53 0.18 0.24 0.00 0.00 174.94 176.33 3gke n LEU 28 N 2.93 -2.28 -1.89 0.37 4.32 0.09 -0.58 117.00 119.97 3gke n LEU 28 Ca -0.17 -0.97 -0.19 0.00 -0.02 0.00 0.00 56.01 54.66 3gke n LEU 28 Cb 0.53 -2.28 -0.05 0.00 -1.62 0.00 0.00 43.42 40.00 3gke n LEU 28 CO 0.25 0.41 -0.21 0.47 -1.22 0.00 0.00 177.39 177.09 3gke n ASP 29 N -2.94 -5.21 -4.07 -1.43 8.00 0.33 -4.95 116.55 106.27 3gke n ASP 29 Ca -0.24 0.30 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 3gke n ASP 29 Cb 0.65 -4.52 -0.16 0.00 -0.02 0.00 0.00 41.12 37.07 3gke n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gke s THR 30 N -2.75 2.02 -0.03 -3.53 2.01 0.25 -5.10 115.64 108.52 3gke s THR 30 Ca 0.00 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 3gke s THR 30 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 3gke s THR 30 CO 0.00 0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 173.09 3gke s PRO 31 N 1.23 4.44 0.06 4.92 0.04 -1.26 -1.36 135.00 143.06 3gke s PRO 31 Ca -0.02 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.65 3gke s PRO 31 Cb -0.17 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 3gke s PRO 31 CO -0.09 -0.27 -0.17 -0.51 0.04 0.00 0.00 177.00 176.00 3gke s LEU 32 N 1.60 2.69 -0.26 -3.56 1.43 0.38 -0.27 118.68 120.69 3gke s LEU 32 Ca 0.54 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3gke s LEU 32 Cb -0.23 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3gke s LEU 32 CO 0.24 0.24 0.06 0.00 0.23 0.00 0.00 176.35 177.11 3gke s ALA 33 N -0.99 3.07 -0.15 4.21 0.00 0.57 -1.67 121.76 126.81 3gke s ALA 33 Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3gke s ALA 33 Cb -0.11 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 3gke s ALA 33 CO 0.07 -0.62 -0.15 -0.51 0.00 0.00 0.00 175.76 174.54 3gke s LEU 34 N 1.56 2.48 0.10 0.00 1.43 -0.13 -1.51 118.68 122.61 3gke s LEU 34 Ca 0.05 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 3gke s LEU 34 Cb -0.16 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.53 3gke s LEU 34 CO 0.02 0.10 0.35 -0.72 0.23 0.00 0.00 176.35 176.33 3gke s TYR 35 N 0.75 -0.14 -0.27 0.29 -0.85 -0.80 -0.94 117.35 115.40 3gke s TYR 35 Ca -0.06 -0.16 -0.10 0.00 -0.52 0.00 0.00 57.07 56.22 3gke s TYR 35 Cb -0.15 0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.32 3gke s TYR 35 CO 0.01 -0.64 0.16 0.50 -1.52 0.00 0.00 175.55 174.06 3gke s ARG 36 N -3.59 3.91 0.94 -3.49 3.52 0.11 -0.62 118.95 119.72 3gke s ARG 36 Ca 0.02 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 3gke s ARG 36 Cb 0.02 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 29.99 3gke s ARG 36 CO -0.10 -0.15 1.11 -0.65 -0.81 0.00 0.00 175.30 174.70 3gke s GLN 37 N 1.65 0.87 0.43 5.12 -0.21 -0.37 -3.78 119.66 123.36 3gke s GLN 37 Ca 0.07 1.29 0.20 0.00 0.02 0.00 0.00 55.36 56.93 3gke s GLN 37 Cb -0.16 -1.73 1.15 0.00 1.00 0.00 0.00 33.01 33.27 3gke s GLN 37 CO 0.09 -2.65 1.84 -1.35 -2.12 0.00 0.00 175.29 171.10 3gke h PRO 38 N -1.87 0.34 -0.11 2.91 0.11 -1.89 0.66 132.00 132.14 3gke h PRO 38 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gke h PRO 38 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gke h PRO 38 CO 0.46 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3gke n ASP 39 N -4.50 0.79 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.40 3gke n ASP 39 Ca 0.21 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 3gke n ASP 39 Cb 0.78 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 3gke n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gke n GLY 40 N 0.85 0.83 3.71 6.12 0.00 0.22 -5.04 105.19 111.88 3gke n GLY 40 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3gke n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gke s VAL 41 N -2.32 4.95 0.12 1.61 1.01 -1.26 -4.70 120.40 119.82 3gke s VAL 41 Ca 0.00 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 3gke s VAL 41 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3gke s VAL 41 CO 0.00 0.18 1.09 -0.69 0.00 0.00 0.00 175.10 175.68 3gke s VAL 42 N 1.12 4.11 0.15 2.92 1.01 -1.26 -1.24 120.40 127.21 3gke s VAL 42 Ca 0.43 1.69 0.09 0.00 0.00 0.00 0.00 61.98 64.19 3gke s VAL 42 Cb -0.19 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3gke s VAL 42 CO 0.21 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.41 3gke s ALA 43 N 0.26 2.86 -0.18 5.51 0.00 0.21 -4.88 121.76 125.54 3gke s ALA 43 Ca 0.52 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3gke s ALA 43 Cb -0.28 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.17 3gke s ALA 43 CO 0.32 0.54 0.05 0.00 0.00 0.00 0.00 175.76 176.67 3gke s ALA 44 N -1.44 0.83 0.04 0.00 0.00 -1.26 -1.91 121.76 118.03 3gke s ALA 44 Ca 0.22 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.69 3gke s ALA 44 Cb -0.10 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3gke s ALA 44 CO 0.13 -1.11 -0.11 -0.51 0.00 0.00 0.00 175.76 174.16 3gke s LEU 45 N 1.94 2.96 0.10 0.00 1.43 -0.57 -0.79 118.68 123.75 3gke s LEU 45 Ca 0.00 -0.30 -0.35 0.00 -1.03 0.00 0.00 54.13 52.46 3gke s LEU 45 Cb -0.16 -1.73 -0.14 0.00 0.03 0.00 0.00 46.19 44.18 3gke s LEU 45 CO -0.08 0.24 1.58 -0.11 0.23 0.00 0.00 176.35 178.22 3gke n LEU 46 N 1.31 2.86 -2.28 1.79 7.94 -0.39 -0.31 117.00 127.92 3gke n LEU 46 Ca -0.15 1.07 -0.21 0.00 -1.11 0.00 0.00 56.01 55.62 3gke n LEU 46 Cb 0.52 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 3gke n LEU 46 CO 0.30 -0.40 1.59 -0.67 -1.11 0.00 0.00 177.39 177.11 3gke n ASP 47 N 3.77 5.96 -3.41 1.96 2.03 0.63 -4.64 116.55 122.84 3gke n ASP 47 Ca 0.18 -2.90 -0.15 0.00 0.52 0.00 0.00 54.79 52.44 3gke n ASP 47 Cb 0.27 -1.31 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 3gke n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gke s ILE 48 N -0.91 -0.44 0.23 5.18 1.01 -1.26 -4.27 121.20 120.75 3gke s ILE 48 Ca 0.62 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 3gke s ILE 48 Cb 0.35 -0.87 -0.10 0.00 0.01 0.00 0.00 42.46 41.85 3gke s ILE 48 CO -0.13 -0.31 1.53 0.00 0.00 0.00 0.00 174.94 176.03 3gke h PRO 50 N 5.64 0.00 0.00 0.00 0.11 -1.88 0.27 132.00 136.13 3gke h PRO 50 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gke h PRO 50 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gke h PRO 50 CO 0.83 0.00 0.00 1.58 -0.21 0.00 0.00 178.00 180.20 3gke n HIS 51 N -2.80 0.00 -1.33 0.65 -0.00 -1.26 -4.73 115.22 105.75 3gke n HIS 51 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.74 3gke n HIS 51 Cb 0.12 -0.23 0.05 0.00 -0.00 0.00 0.00 29.99 29.93 3gke n HIS 51 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3gke n ARG 52 N -1.18 0.79 -0.96 1.57 1.74 -1.24 -5.02 116.66 112.36 3gke n ARG 52 Ca 0.00 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 3gke n ARG 52 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3gke n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gke n PHE 53 N -0.58 0.00 -1.70 -1.55 3.72 0.08 -4.95 117.46 112.49 3gke n PHE 53 Ca 0.06 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 3gke n PHE 53 Cb 0.61 -0.42 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 3gke n PHE 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gke s ALA 54 N -2.00 2.35 -0.34 4.37 0.00 -1.26 -4.20 121.76 120.68 3gke s ALA 54 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.43 3gke s ALA 54 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3gke s ALA 54 CO 0.00 -1.46 1.73 -1.25 0.00 0.00 0.00 175.76 174.77 3gke s PRO 55 N -3.87 3.40 0.49 0.00 0.04 -1.26 -0.91 135.00 132.88 3gke s PRO 55 Ca 0.72 1.36 0.19 0.00 0.04 0.00 0.00 61.00 63.30 3gke s PRO 55 Cb -0.25 -4.16 1.22 0.00 0.04 0.00 0.00 34.50 31.34 3gke s PRO 55 CO 0.41 -1.78 2.02 -0.07 0.04 0.00 0.00 177.00 177.61 3gke h LEU 56 N 13.34 0.16 -1.45 -3.56 3.38 -1.89 -2.31 115.31 122.99 3gke h LEU 56 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gke h LEU 56 Cb 1.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gke h LEU 56 CO 1.04 0.10 0.00 0.77 0.09 0.00 0.00 178.44 180.43 3gke h SER 57 N 0.18 0.00 -0.13 -0.43 4.64 -1.88 0.14 113.55 116.06 3gke h SER 57 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3gke h SER 57 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3gke h SER 57 CO -0.03 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.40 3gke n ASP 58 N -2.40 1.97 -4.60 4.97 8.00 -0.87 -4.51 116.55 119.11 3gke n ASP 58 Ca -0.01 -1.71 -0.24 0.00 0.71 0.00 0.00 54.79 53.54 3gke n ASP 58 Cb 0.10 -0.08 0.12 0.00 -0.02 0.00 0.00 41.12 41.24 3gke n ASP 58 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gke s GLY 59 N -1.74 1.75 0.29 0.44 0.00 0.50 -4.76 107.32 103.81 3gke s GLY 59 Ca 0.34 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 43.33 3gke s GLY 59 CO 0.30 -1.19 -0.09 -0.26 0.00 0.00 0.00 173.10 171.86 3gke s ILE 60 N -3.22 1.86 0.14 0.90 -4.36 -1.24 -4.58 121.20 110.70 3gke s ILE 60 Ca 0.68 -2.17 -0.30 0.00 -0.26 0.00 0.00 60.65 58.60 3gke s ILE 60 Cb -0.04 -2.44 -0.07 0.00 1.25 0.00 0.00 42.46 41.16 3gke s ILE 60 CO 0.46 -0.31 1.07 -0.76 0.24 0.00 0.00 174.94 175.63 3gke s LEU 61 N -3.47 4.47 -0.22 0.37 1.43 -1.26 -0.93 118.68 119.07 3gke s LEU 61 Ca 0.30 1.98 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3gke s LEU 61 Cb 0.02 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.70 3gke s LEU 61 CO 0.13 -0.21 -0.05 -0.69 0.23 0.00 0.00 176.35 175.76 3gke s VAL 62 N 0.02 1.47 -1.33 -1.59 1.01 0.14 -4.72 120.40 115.40 3gke s VAL 62 Ca 0.50 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3gke s VAL 62 Cb -0.27 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3gke s VAL 62 CO 0.33 -0.06 0.52 0.59 0.00 0.00 0.00 175.10 176.47 3gke n ASN 63 N 4.70 -5.47 0.00 3.32 3.02 -1.26 -1.83 115.26 117.74 3gke n ASN 63 Ca -0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3gke n ASN 63 Cb 0.45 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 3gke n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gke n GLY 64 N -1.41 0.50 3.47 7.41 0.00 -1.26 -5.00 105.19 108.91 3gke n GLY 64 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3gke n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gke s HIS 65 N -2.27 2.89 -0.06 1.61 3.76 -0.76 -4.75 115.29 115.71 3gke s HIS 65 Ca 0.00 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 3gke s HIS 65 Cb 0.00 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 3gke s HIS 65 CO 0.00 0.03 1.51 -1.17 -0.85 0.00 0.00 174.74 174.26 3gke s LEU 66 N -0.10 4.29 -0.22 0.89 2.96 -0.61 0.27 118.68 126.16 3gke s LEU 66 Ca -0.00 2.11 -0.13 0.00 -0.22 0.00 0.00 54.13 55.89 3gke s LEU 66 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3gke s LEU 66 CO 0.03 -0.84 0.25 -1.58 -1.32 0.00 0.00 176.35 172.90 3gke s GLN 67 N 3.42 4.11 0.25 1.98 0.74 -0.10 -1.21 119.66 128.86 3gke s GLN 67 Ca 0.67 -0.08 -0.31 0.00 0.05 0.00 0.00 55.36 55.69 3gke s GLN 67 Cb -0.31 -3.53 -0.12 0.00 1.10 0.00 0.00 33.01 30.15 3gke s GLN 67 CO 0.26 0.03 1.64 0.00 -0.55 0.00 0.00 175.29 176.67 3gke n PRO 69 N 2.96 0.16 -0.05 0.00 -0.04 -1.26 -2.19 135.00 134.59 3gke n PRO 69 Ca 0.12 0.10 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 3gke n PRO 69 Cb 0.35 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3gke n PRO 69 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3gke h TYR 70 N 0.00 0.00 0.00 0.54 -0.00 -1.93 -3.43 116.97 112.15 3gke h TYR 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3gke h TYR 70 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.02 3gke h TYR 70 CO 0.00 0.00 -0.05 0.72 -0.00 0.00 0.00 178.16 178.83 3gke n HIS 71 N -3.90 0.00 -0.87 -3.82 8.25 -1.26 -5.04 115.22 108.58 3gke n HIS 71 Ca -0.04 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 3gke n HIS 71 Cb 0.17 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3gke n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gke n GLY 72 N -0.42 0.50 3.68 -1.41 0.00 -0.93 -4.78 105.19 101.84 3gke n GLY 72 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3gke n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gke n LEU 73 N 0.00 3.68 -4.44 0.99 4.77 -1.26 -4.65 117.00 116.10 3gke n LEU 73 Ca 0.00 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 3gke n LEU 73 Cb 0.00 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.48 3gke n LEU 73 CO 0.00 -0.76 -0.48 -1.61 -1.33 0.00 0.00 177.39 173.20 3gke s GLU 74 N -2.11 2.37 0.04 3.23 2.02 -0.76 -0.41 118.70 123.07 3gke s GLU 74 Ca 0.60 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.87 3gke s GLU 74 Cb -0.53 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 3gke s GLU 74 CO 0.59 0.60 -0.17 -0.06 0.02 0.00 0.00 175.26 176.23 3gke s PHE 75 N -0.73 1.52 0.66 1.61 0.08 -0.35 -0.62 117.98 120.15 3gke s PHE 75 Ca 0.12 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 56.84 3gke s PHE 75 Cb -0.10 -0.90 0.12 0.00 -0.57 0.00 0.00 43.02 41.56 3gke s PHE 75 CO 0.01 0.06 0.90 -0.40 -0.10 0.00 0.00 175.22 175.69 3gke n ASP 76 N 1.91 1.58 0.14 1.36 5.68 -0.65 -1.58 116.55 124.98 3gke n ASP 76 Ca -0.17 -2.25 0.12 0.00 -0.50 0.00 0.00 54.79 51.99 3gke n ASP 76 Cb 0.54 -0.55 0.50 0.00 -1.14 0.00 0.00 41.12 40.47 3gke n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gke n GLY 77 N -2.25 -1.30 0.74 6.12 0.00 -1.26 -0.82 105.19 106.43 3gke n GLY 77 Ca 0.16 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3gke n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 78 N 0.04 0.78 2.43 -0.02 0.00 -1.26 -4.58 105.19 102.58 3gke n GLY 78 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3gke n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 79 N 1.22 0.84 3.73 -0.02 0.00 0.00 -4.48 105.19 106.48 3gke n GLY 79 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gke n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gke s GLN 80 N -0.11 4.35 -0.12 1.61 0.74 -1.26 -0.46 119.66 124.42 3gke s GLN 80 Ca 0.00 2.07 -0.29 0.00 0.05 0.00 0.00 55.36 57.18 3gke s GLN 80 Cb 0.00 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3gke s GLN 80 CO 0.00 -0.35 1.35 0.00 -0.55 0.00 0.00 175.29 175.75 3gke n VAL 82 N 5.26 0.00 -3.68 0.00 0.24 0.21 -4.95 118.33 115.41 3gke n VAL 82 Ca 0.14 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 3gke n VAL 82 Cb 0.44 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 3gke n VAL 82 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gke s HIS 83 N -1.18 -0.76 -0.27 6.34 2.46 -1.21 -4.98 115.29 115.69 3gke s HIS 83 Ca 0.05 1.56 0.03 0.00 0.47 0.00 0.00 55.06 57.17 3gke s HIS 83 Cb 0.05 0.39 0.06 0.00 -0.13 0.00 0.00 32.58 32.95 3gke s HIS 83 CO 0.19 -0.41 -0.09 1.21 -2.47 0.00 0.00 174.74 173.17 3gke s ASN 84 N 1.55 4.48 0.00 9.88 2.47 -1.26 -1.83 114.94 130.23 3gke s ASN 84 Ca -0.09 -1.48 0.08 0.00 0.42 0.00 0.00 52.86 51.79 3gke s ASN 84 Cb -0.08 -1.56 0.35 0.00 -1.45 0.00 0.00 41.25 38.52 3gke s ASN 84 CO -0.15 -0.21 1.21 -2.65 -3.72 0.00 0.00 177.10 171.58 3gke n PRO 85 N 4.41 0.03 -4.30 0.43 -0.02 -1.26 -4.13 135.00 130.16 3gke n PRO 85 Ca -0.12 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 3gke n PRO 85 Cb 0.42 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.29 3gke n PRO 85 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3gke s HIS 86 N -2.87 3.09 0.00 6.00 3.76 -1.26 -4.85 115.29 119.16 3gke s HIS 86 Ca 0.05 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 3gke s HIS 86 Cb 0.05 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3gke s HIS 86 CO 0.14 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 3gke n GLY 87 N 3.46 2.28 0.00 -2.22 0.00 -1.26 -1.66 105.19 105.79 3gke n GLY 87 Ca -0.17 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.61 3gke n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gke n ASN 88 N 5.13 0.00 -0.31 1.61 0.23 -1.26 -4.87 115.26 115.78 3gke n ASN 88 Ca 0.00 -0.31 -0.04 0.00 -0.53 0.00 0.00 54.58 53.70 3gke n ASN 88 Cb 0.00 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 37.48 3gke n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gke n GLY 89 N 0.89 0.70 3.77 4.83 0.00 -0.66 -4.99 105.19 109.72 3gke n GLY 89 Ca 0.15 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 3gke n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke s ALA 90 N -2.13 3.45 -0.60 4.61 0.00 -1.26 -4.36 121.76 121.47 3gke s ALA 90 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.34 3gke s ALA 90 Cb 0.00 -3.51 0.21 0.00 0.00 0.00 0.00 23.12 19.82 3gke s ALA 90 CO 0.00 -0.78 0.56 0.54 0.00 0.00 0.00 175.76 176.08 3gke n ARG 91 N 0.54 1.68 -1.34 0.00 1.74 -1.26 -4.83 116.66 113.19 3gke n ARG 91 Ca 0.01 -4.19 -0.29 0.00 -0.77 0.00 0.00 57.85 52.61 3gke n ARG 91 Cb 0.42 -2.04 0.14 0.00 -1.02 0.00 0.00 32.46 29.96 3gke n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gke s PRO 92 N -1.56 1.03 0.52 5.56 0.04 -1.26 -4.90 135.00 134.43 3gke s PRO 92 Ca 0.33 0.52 0.30 0.00 0.04 0.00 0.00 61.00 62.19 3gke s PRO 92 Cb 0.07 -1.81 1.26 0.00 0.04 0.00 0.00 34.50 34.05 3gke s PRO 92 CO -0.11 -2.32 1.95 0.00 0.04 0.00 0.00 177.00 176.56 3gke h ALA 93 N -1.60 1.03 0.00 8.56 0.00 -1.98 -0.98 119.26 124.29 3gke h ALA 93 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gke h ALA 93 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gke h ALA 93 CO 0.59 0.10 0.06 0.66 0.00 0.00 0.00 179.25 180.66 3gke h SER 94 N 0.00 0.00 0.63 0.00 4.64 -2.02 -2.16 113.55 114.63 3gke h SER 94 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gke h SER 94 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3gke h SER 94 CO 0.01 0.00 -0.47 0.18 -0.87 0.00 0.00 176.83 175.68 3gke n LEU 95 N -2.99 0.48 -4.77 5.97 4.77 -0.37 -4.88 117.00 115.22 3gke n LEU 95 Ca -0.03 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 3gke n LEU 95 Cb 0.13 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3gke n LEU 95 CO 0.18 0.08 0.93 0.20 -1.33 0.00 0.00 177.39 177.44 3gke s ASN 96 N -3.24 6.74 0.07 -1.43 0.01 -0.82 -4.45 114.94 111.82 3gke s ASN 96 Ca 0.10 2.57 0.02 0.00 -0.71 0.00 0.00 52.86 54.85 3gke s ASN 96 Cb 0.17 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3gke s ASN 96 CO 0.69 -0.55 0.12 0.54 -1.51 0.00 0.00 177.10 176.39 3gke s VAL 97 N -1.20 4.79 0.25 1.60 0.11 0.39 -4.85 120.40 121.49 3gke s VAL 97 Ca 0.51 -0.63 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3gke s VAL 97 Cb -0.37 -3.31 -0.11 0.00 -1.53 0.00 0.00 36.38 31.07 3gke s VAL 97 CO 0.48 0.15 1.52 -0.60 -3.33 0.00 0.00 175.10 173.32 3gke s ARG 98 N -2.37 4.20 0.06 1.54 3.52 -1.26 -4.27 118.95 120.38 3gke s ARG 98 Ca 0.30 2.42 0.09 0.00 -0.13 0.00 0.00 55.73 58.41 3gke s ARG 98 Cb -0.12 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3gke s ARG 98 CO 0.23 -0.53 -0.22 0.45 -0.81 0.00 0.00 175.30 174.42 3gke s SER 99 N 0.55 3.54 -0.10 -2.12 0.15 -1.26 -1.26 113.70 113.19 3gke s SER 99 Ca 0.63 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 3gke s SER 99 Cb -0.44 -0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 3gke s SER 99 CO 0.43 0.24 -0.06 -0.36 1.20 0.00 0.00 173.24 174.68 3gke s PHE 100 N -0.93 2.97 0.30 3.44 0.08 0.03 -4.98 117.98 118.88 3gke s PHE 100 Ca 0.14 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 3gke s PHE 100 Cb -0.10 -1.80 -0.12 0.00 -0.57 0.00 0.00 43.02 40.42 3gke s PHE 100 CO 0.05 0.18 1.42 -2.30 -0.10 0.00 0.00 175.22 174.47 3gke n PRO 101 N 2.72 2.28 -4.76 0.24 -0.02 -1.26 -4.45 135.00 129.75 3gke n PRO 101 Ca -0.18 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.86 3gke n PRO 101 Cb 0.53 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 3gke n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gke s VAL 102 N -0.50 1.32 -0.13 -1.45 1.01 -1.26 -1.67 120.40 117.73 3gke s VAL 102 Ca 0.61 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3gke s VAL 102 Cb -0.57 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3gke s VAL 102 CO 0.55 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 175.20 3gke s VAL 103 N 0.04 1.50 -0.42 2.92 1.01 -0.15 -5.00 120.40 120.30 3gke s VAL 103 Ca -0.03 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 3gke s VAL 103 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3gke s VAL 103 CO 0.02 0.44 0.55 -0.70 0.00 0.00 0.00 175.10 175.41 3gke s GLU 104 N 1.27 3.29 -0.17 2.72 2.12 -1.26 -1.15 118.70 125.52 3gke s GLU 104 Ca -0.00 -0.46 -0.15 0.00 0.36 0.00 0.00 54.97 54.72 3gke s GLU 104 Cb -0.14 -3.93 0.04 0.00 0.26 0.00 0.00 34.13 30.37 3gke s GLU 104 CO -0.06 -0.89 0.44 0.50 -0.54 0.00 0.00 175.26 174.71 3gke s ARG 105 N 2.51 0.51 -1.54 4.30 3.52 -0.71 -4.91 118.95 122.63 3gke s ARG 105 Ca 0.18 0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 56.37 3gke s ARG 105 Cb -0.15 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.48 3gke s ARG 105 CO 0.16 -0.07 0.50 -0.25 -0.81 0.00 0.00 175.30 174.84 3gke n ASP 106 N 2.95 -5.72 -3.54 -2.12 8.00 -1.26 -1.64 116.55 113.21 3gke n ASP 106 Ca -0.14 -0.25 -0.25 0.00 0.71 0.00 0.00 54.79 54.86 3gke n ASP 106 Cb 0.57 -4.66 0.06 0.00 -0.02 0.00 0.00 41.12 37.08 3gke n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ALA 107 N -3.33 -1.25 -2.80 2.24 0.00 -1.26 -4.71 120.51 109.39 3gke n ALA 107 Ca -0.12 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 3gke n ALA 107 Cb 0.62 -5.09 -0.13 0.00 0.00 0.00 0.00 19.45 14.85 3gke n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gke s LEU 108 N -7.20 2.14 -0.49 0.00 1.43 -0.65 -4.39 118.68 109.53 3gke s LEU 108 Ca 0.55 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 3gke s LEU 108 Cb -0.25 -0.24 0.08 0.00 0.03 0.00 0.00 46.19 45.81 3gke s LEU 108 CO 0.68 -0.07 0.43 -0.63 0.23 0.00 0.00 176.35 176.99 3gke s ILE 109 N -0.80 5.20 -0.08 -0.59 -1.09 -0.71 -1.75 121.20 121.38 3gke s ILE 109 Ca -0.04 -1.10 -0.13 0.00 -2.23 0.00 0.00 60.65 57.15 3gke s ILE 109 Cb -0.06 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 3gke s ILE 109 CO 0.00 -0.65 0.32 0.26 -1.23 0.00 0.00 174.94 173.64 3gke s TRP 110 N 1.71 3.60 0.02 3.97 0.52 -0.30 -0.80 118.94 127.66 3gke s TRP 110 Ca 0.05 0.77 0.04 0.00 0.02 0.00 0.00 56.10 56.97 3gke s TRP 110 Cb -0.25 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 3gke s TRP 110 CO 0.06 0.50 -0.11 0.42 0.02 0.00 0.00 176.95 177.84 3gke s ILE 111 N -0.47 0.89 -0.38 2.03 1.01 0.38 -0.98 121.20 123.68 3gke s ILE 111 Ca 0.20 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3gke s ILE 111 Cb -0.14 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.56 3gke s ILE 111 CO 0.08 0.07 0.21 0.86 0.00 0.00 0.00 174.94 176.16 3gke s TRP 112 N -0.60 3.25 -2.47 3.97 -0.11 -0.67 -1.13 118.94 121.18 3gke s TRP 112 Ca 0.02 -0.99 0.24 0.00 1.22 0.00 0.00 56.10 56.58 3gke s TRP 112 Cb -0.06 -2.45 0.73 0.00 -1.50 0.00 0.00 33.47 30.19 3gke s TRP 112 CO 0.00 -0.66 1.55 -0.35 -4.62 0.00 0.00 176.95 172.88 3gke n PRO 113 N 4.99 1.89 0.00 5.86 -0.05 -1.23 -4.17 135.00 142.30 3gke n PRO 113 Ca -0.12 -1.32 0.00 0.00 -0.05 0.00 0.00 63.50 62.01 3gke n PRO 113 Cb 0.46 -1.45 0.00 0.00 -0.05 0.00 0.00 33.50 32.46 3gke n PRO 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3gke n GLY 114 N 1.22 1.43 3.63 0.55 0.00 -0.58 -4.91 105.19 106.54 3gke n GLY 114 Ca 0.17 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3gke n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 115 N -1.00 6.51 0.50 1.61 -1.08 -1.26 -4.88 116.67 117.07 3gke s ASP 115 Ca 0.00 1.47 0.27 0.00 -0.52 0.00 0.00 52.55 53.76 3gke s ASP 115 Cb 0.00 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.24 3gke s ASP 115 CO 0.00 -1.18 2.01 1.55 0.52 0.00 0.00 175.17 178.07 3gke h PRO 116 N 10.11 0.00 -0.09 4.34 0.13 -1.94 -1.08 132.00 143.48 3gke h PRO 116 Ca -0.31 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3gke h PRO 116 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3gke h PRO 116 CO 1.01 0.15 0.13 0.00 -0.23 0.00 0.00 178.00 179.06 3gke h ALA 117 N 1.85 1.54 -0.03 -0.56 0.00 -2.00 -2.72 119.26 117.34 3gke h ALA 117 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gke h ALA 117 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gke h ALA 117 CO 0.02 -0.18 -0.02 1.28 0.00 0.00 0.00 179.25 180.35 3gke n LEU 118 N -3.57 2.83 -4.64 0.00 4.77 -0.41 -4.94 117.00 111.04 3gke n LEU 118 Ca -0.01 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 3gke n LEU 118 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3gke n LEU 118 CO 0.24 0.48 1.38 0.00 -1.33 0.00 0.00 177.39 178.17 3gke s ALA 119 N -1.89 3.39 -0.29 -1.18 0.00 -1.03 -4.95 121.76 115.81 3gke s ALA 119 Ca 0.26 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3gke s ALA 119 Cb 0.19 -3.82 0.08 0.00 0.00 0.00 0.00 23.12 19.57 3gke s ALA 119 CO 0.29 -1.76 -0.02 0.34 0.00 0.00 0.00 175.76 174.61 3gke s ASP 120 N 4.02 4.42 0.49 0.00 2.15 -1.26 -4.98 116.67 121.51 3gke s ASP 120 Ca 0.73 -1.67 0.33 0.00 0.43 0.00 0.00 52.55 52.37 3gke s ASP 120 Cb -0.28 -1.45 1.74 0.00 -0.30 0.00 0.00 42.92 42.62 3gke s ASP 120 CO 0.29 -0.29 2.01 -0.65 -0.17 0.00 0.00 175.17 176.36 3gke h PRO 121 N 7.77 0.00 0.00 4.34 0.11 -2.00 -0.08 132.00 142.15 3gke h PRO 121 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3gke h PRO 121 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gke h PRO 121 CO 0.47 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 3gke n GLY 122 N -1.00 -1.26 0.42 -0.55 0.00 -1.26 -2.33 105.19 99.20 3gke n GLY 122 Ca -0.02 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3gke n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke n ALA 123 N -1.77 2.69 -2.54 4.61 0.00 -0.04 -4.90 120.51 118.56 3gke n ALA 123 Ca 0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3gke n ALA 123 Cb 0.22 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 3gke n ALA 123 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gke s ILE 124 N -2.12 4.41 0.65 0.00 1.01 -0.99 -4.90 121.20 119.27 3gke s ILE 124 Ca 0.35 1.73 -0.18 0.00 0.00 0.00 0.00 60.65 62.55 3gke s ILE 124 Cb 0.21 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3gke s ILE 124 CO 0.38 0.05 1.19 -2.65 0.00 0.00 0.00 174.94 173.91 3gke n PRO 125 N 4.64 0.98 -2.98 2.79 -0.02 -1.26 -4.94 135.00 134.22 3gke n PRO 125 Ca 0.09 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 3gke n PRO 125 Cb 0.48 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3gke n PRO 125 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gke s ASP 126 N -1.40 6.44 -0.28 2.55 2.15 -1.26 -4.89 116.67 119.98 3gke s ASP 126 Ca 0.81 0.00 0.09 0.00 0.43 0.00 0.00 52.55 53.88 3gke s ASP 126 Cb -0.38 -2.38 0.46 0.00 -0.30 0.00 0.00 42.92 40.32 3gke s ASP 126 CO 0.43 -0.85 1.18 0.49 -0.17 0.00 0.00 175.17 176.25 3gke n PHE 127 N 6.59 2.42 0.29 -5.34 3.72 -1.26 -4.90 117.46 118.97 3gke n PHE 127 Ca 0.02 -2.16 0.14 0.00 -0.05 0.00 0.00 57.45 55.40 3gke n PHE 127 Cb 0.48 -0.32 0.88 0.00 -0.94 0.00 0.00 39.48 39.58 3gke n PHE 127 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gke h GLY 128 N 2.16 0.00 0.79 1.37 0.00 -1.92 -1.45 103.07 104.02 3gke h GLY 128 Ca 0.29 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.78 3gke h GLY 128 CO 0.65 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.63 3gke h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.55 -2.86 114.38 113.04 3gke h ARG 130 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3gke h ARG 130 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3gke h ARG 130 CO -0.00 0.00 -0.04 1.33 -1.07 0.00 0.00 179.97 180.18 3gke n VAL 131 N -2.63 0.92 -2.97 2.04 0.24 -0.27 -4.79 118.33 110.87 3gke n VAL 131 Ca 0.00 -1.00 -0.41 0.00 -2.04 0.00 0.00 64.34 60.89 3gke n VAL 131 Cb 0.20 0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 32.95 3gke n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gke s ASP 132 N -1.23 6.76 0.00 -1.34 -1.08 -0.98 -4.93 116.67 113.87 3gke s ASP 132 Ca 0.07 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 53.12 3gke s ASP 132 Cb 0.06 -2.40 0.34 0.00 -1.46 0.00 0.00 42.92 39.46 3gke s ASP 132 CO 0.01 -0.44 1.23 -0.81 0.52 0.00 0.00 175.17 175.68 3gke n PRO 133 N 5.77 0.01 0.06 4.34 -0.04 -1.26 -0.67 135.00 143.21 3gke n PRO 133 Ca 0.03 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 3gke n PRO 133 Cb 0.48 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.94 3gke n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gke n ALA 134 N -1.48 2.29 -2.56 0.55 0.00 -1.26 -4.81 120.51 113.25 3gke n ALA 134 Ca 0.02 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 3gke n ALA 134 Cb 0.09 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.96 3gke n ALA 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gke s TYR 135 N -3.06 2.83 -0.25 0.00 2.02 0.16 -4.62 117.35 114.43 3gke s TYR 135 Ca 0.12 -0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.62 3gke s TYR 135 Cb 0.15 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3gke s TYR 135 CO 0.56 0.33 0.26 0.50 -1.57 0.00 0.00 175.55 175.63 3gke s ARG 136 N -1.22 4.04 -0.13 -0.62 6.06 0.22 -4.77 118.95 122.53 3gke s ARG 136 Ca 0.15 -0.12 0.01 0.00 -2.50 0.00 0.00 55.73 53.26 3gke s ARG 136 Cb -0.11 -3.60 -0.01 0.00 0.06 0.00 0.00 34.95 31.29 3gke s ARG 136 CO 0.05 -0.10 -0.15 0.99 -2.50 0.00 0.00 175.30 173.59 3gke s THR 137 N 1.53 2.80 0.05 4.11 2.01 -1.25 -0.39 115.64 124.50 3gke s THR 137 Ca 0.11 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3gke s THR 137 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3gke s THR 137 CO 0.08 0.53 -0.09 0.68 -0.69 0.00 0.00 174.62 175.13 3gke s VAL 138 N 0.48 0.67 -1.12 3.82 -7.23 -0.42 -4.97 120.40 111.63 3gke s VAL 138 Ca -0.11 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3gke s VAL 138 Cb -0.16 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.06 3gke s VAL 138 CO 0.05 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3gke n GLY 139 N 1.41 -0.95 0.00 2.32 0.00 -1.26 -0.59 105.19 106.11 3gke n GLY 139 Ca -0.22 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3gke n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 140 N 0.00 0.91 3.28 -0.02 0.00 -0.33 -4.98 105.19 104.05 3gke n GLY 140 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 3gke n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gke s TYR 141 N -2.27 2.02 0.01 1.61 5.04 -1.26 -1.76 117.35 120.75 3gke s TYR 141 Ca 0.00 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 3gke s TYR 141 Cb 0.00 -1.22 -0.01 0.00 0.35 0.00 0.00 41.96 41.08 3gke s TYR 141 CO 0.00 0.08 -0.03 0.20 -1.34 0.00 0.00 175.55 174.46 3gke s GLY 142 N -1.09 0.21 -0.14 8.97 0.00 0.03 -5.01 107.32 110.28 3gke s GLY 142 Ca 0.09 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 3gke s GLY 142 CO 0.01 -0.40 0.10 -1.58 0.00 0.00 0.00 173.10 171.23 3gke s HIS 143 N -0.78 3.42 -0.04 1.90 2.46 -1.26 -0.47 115.29 120.52 3gke s HIS 143 Ca -0.07 0.35 0.01 0.00 0.47 0.00 0.00 55.06 55.82 3gke s HIS 143 Cb -0.06 -1.97 0.02 0.00 -0.13 0.00 0.00 32.58 30.44 3gke s HIS 143 CO -0.00 0.50 -0.04 0.08 -2.47 0.00 0.00 174.74 172.81 3gke s VAL 144 N -0.51 0.49 -1.26 0.89 1.01 -0.51 -4.99 120.40 115.52 3gke s VAL 144 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 3gke s VAL 144 Cb -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3gke s VAL 144 CO 0.02 0.21 2.84 0.47 0.00 0.00 0.00 175.10 178.64 3gke n ASP 145 N 3.98 7.98 -4.08 3.32 8.00 -1.26 -0.47 116.55 134.02 3gke n ASP 145 Ca -0.25 -2.79 -0.08 0.00 0.71 0.00 0.00 54.79 52.37 3gke n ASP 145 Cb 0.51 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 3gke n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ASN 147 N 0.48 2.97 0.10 0.00 2.85 -1.25 -2.69 115.26 117.73 3gke n ASN 147 Ca -0.16 1.10 0.18 0.00 -0.11 0.00 0.00 54.58 55.59 3gke n ASN 147 Cb 0.59 -1.42 0.74 0.00 1.24 0.00 0.00 39.78 40.93 3gke n ASN 147 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 3gke h TYR 148 N 5.36 0.00 0.00 1.20 -0.00 -1.82 -0.83 116.97 120.88 3gke h TYR 148 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.26 3gke h TYR 148 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3gke h TYR 148 CO 0.61 0.00 -0.09 0.87 -0.00 0.00 0.00 178.16 179.55 3gke h LYS 149 N 0.00 0.00 -0.10 0.10 1.57 -1.95 -1.44 116.57 114.74 3gke h LYS 149 Ca 0.17 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3gke h LYS 149 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3gke h LYS 149 CO -0.00 0.09 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.36 3gke h LEU 150 N 0.00 0.33 0.00 2.94 3.38 -1.52 -1.11 115.31 119.33 3gke h LEU 150 Ca -0.00 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3gke h LEU 150 Cb 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3gke h LEU 150 CO 0.01 0.80 -0.77 -0.07 0.09 0.00 0.00 178.44 178.50 3gke h LEU 151 N 0.23 0.00 -0.30 1.67 3.38 -1.40 -1.50 115.31 117.39 3gke h LEU 151 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gke h LEU 151 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3gke h LEU 151 CO 0.09 0.74 0.18 0.58 0.09 0.00 0.00 178.44 180.12 3gke h VAL 152 N 0.00 1.10 -0.44 1.22 2.07 -1.19 -1.34 116.25 117.67 3gke h VAL 152 Ca -0.02 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3gke h VAL 152 Cb 1.58 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3gke h VAL 152 CO 0.09 0.10 0.12 0.44 0.02 0.00 0.00 177.57 178.35 3gke h ASP 153 N 0.39 0.08 -0.13 0.57 3.32 -1.16 0.40 116.42 119.88 3gke h ASP 153 Ca 0.11 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3gke h ASP 153 Cb 0.01 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3gke h ASP 153 CO -0.02 0.08 -0.20 -1.13 -1.72 0.00 0.00 179.24 176.25 3gke h ASN 154 N 0.27 -0.62 0.56 6.45 -0.73 -1.04 -2.76 115.58 117.71 3gke h ASN 154 Ca 0.21 0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.36 3gke h ASN 154 Cb 0.24 0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 3gke h ASN 154 CO -0.25 -0.25 -0.61 -0.07 -0.37 0.00 0.00 177.43 175.88 3gke h LEU 155 N -0.25 0.05 -0.05 0.34 3.38 -0.89 -3.11 115.31 114.78 3gke h LEU 155 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gke h LEU 155 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gke h LEU 155 CO -0.28 0.65 -0.09 0.23 0.09 0.00 0.00 178.44 179.04 3gke n MET 156 N -3.83 0.25 -3.89 1.13 2.81 0.10 -3.70 117.12 109.99 3gke n MET 156 Ca -0.01 -0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.54 3gke n MET 156 Cb 0.61 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.49 3gke n MET 156 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3gke s ASP 157 N -2.78 4.33 0.00 7.83 2.15 -1.06 -4.14 116.67 123.00 3gke s ASP 157 Ca 0.20 -3.28 0.18 0.00 0.43 0.00 0.00 52.55 50.08 3gke s ASP 157 Cb 0.19 -1.53 0.99 0.00 -0.30 0.00 0.00 42.92 42.27 3gke s ASP 157 CO 0.52 -0.18 1.52 0.18 -0.17 0.00 0.00 175.17 177.04 3gke n LEU 158 N 2.73 0.00 0.32 -1.34 4.77 -1.24 -2.42 117.00 119.82 3gke n LEU 158 Ca 0.12 0.16 0.20 0.00 -0.03 0.00 0.00 56.01 56.45 3gke n LEU 158 Cb 0.34 -0.16 1.05 0.00 -2.33 0.00 0.00 43.42 42.32 3gke n LEU 158 CO 0.30 -0.07 1.16 1.23 -1.33 0.00 0.00 177.39 178.68 3gke h GLY 159 N 2.91 0.00 2.00 -0.72 0.00 -1.93 -2.17 103.07 103.16 3gke h GLY 159 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gke h GLY 159 CO 0.00 0.00 -0.04 1.12 0.00 0.00 0.00 176.54 177.62 3gke h HIS 160 N 0.00 0.00 0.00 5.60 2.07 -1.80 -2.06 115.15 118.96 3gke h HIS 160 Ca 0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 3gke h HIS 160 Cb 0.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 3gke h HIS 160 CO 0.00 0.04 -0.05 0.00 -3.07 0.00 0.00 177.93 174.85 3gke h ALA 161 N 1.96 1.91 -0.09 6.11 0.00 -1.66 0.23 119.26 127.72 3gke h ALA 161 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gke h ALA 161 Cb 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gke h ALA 161 CO 0.01 0.07 0.08 0.37 0.00 0.00 0.00 179.25 179.77 3gke h GLN 162 N 0.00 0.00 0.00 0.00 5.75 -1.59 -2.17 115.11 117.10 3gke h GLN 162 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3gke h GLN 162 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3gke h GLN 162 CO 0.01 0.00 -0.35 0.66 -2.65 0.00 0.00 178.83 176.50 3gke n TYR 163 N -4.10 0.00 -0.32 3.99 4.02 -0.67 -4.13 117.16 115.95 3gke n TYR 163 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.94 3gke n TYR 163 Cb 0.19 -0.17 0.25 0.00 -0.02 0.00 0.00 39.34 39.58 3gke n TYR 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gke h VAL 164 N -0.35 1.00 -0.36 -0.72 2.07 -1.12 -1.99 116.25 114.79 3gke h VAL 164 Ca 0.00 -0.34 -0.20 0.00 0.82 0.00 0.00 66.70 66.98 3gke h VAL 164 Cb 0.35 -0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 29.91 3gke h VAL 164 CO 0.00 0.18 -0.14 1.41 0.02 0.00 0.00 177.57 179.04 3gke n HIS 165 N -4.53 1.12 -0.35 1.57 8.25 -0.83 -4.86 115.22 115.60 3gke n HIS 165 Ca 0.16 -1.68 0.09 0.00 -0.26 0.00 0.00 57.72 56.03 3gke n HIS 165 Cb 0.27 -0.49 0.28 0.00 1.12 0.00 0.00 29.99 31.17 3gke n HIS 165 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3gke h ARG 166 N 1.08 0.88 -0.32 -0.41 0.11 -1.21 0.13 114.38 114.64 3gke h ARG 166 Ca 0.22 -0.05 0.09 0.00 0.10 0.00 0.00 59.98 60.34 3gke h ARG 166 Cb 1.58 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.45 3gke h ARG 166 CO 0.40 0.58 0.24 0.00 0.10 0.00 0.00 179.97 181.30 3gke h ALA 167 N 1.57 2.25 0.00 0.08 0.00 -1.89 -2.38 119.26 118.90 3gke h ALA 167 Ca 0.50 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 3gke h ALA 167 Cb 0.60 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3gke h ALA 167 CO -0.28 -0.41 -1.87 0.09 0.00 0.00 0.00 179.25 176.78 3gke n ASN 168 N -4.34 1.80 -0.00 0.00 3.02 -0.21 -4.72 115.26 110.82 3gke n ASN 168 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.61 3gke n ASN 168 Cb 0.41 0.88 -0.01 0.00 -0.61 0.00 0.00 39.78 40.45 3gke n ASN 168 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gke n ALA 169 N -2.44 2.31 -1.76 5.41 0.00 0.27 -0.93 120.51 123.37 3gke n ALA 169 Ca -0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3gke n ALA 169 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 3gke n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gke s GLN 170 N -1.22 4.13 0.05 0.00 0.74 -0.90 -4.67 119.66 117.78 3gke s GLN 170 Ca 0.01 2.58 0.08 0.00 0.05 0.00 0.00 55.36 58.08 3gke s GLN 170 Cb 0.02 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 3gke s GLN 170 CO 0.10 -0.67 -0.23 -0.08 -0.55 0.00 0.00 175.29 173.85 3gke s THR 171 N 0.43 1.89 -2.03 -0.34 -1.32 -1.26 -4.40 115.64 108.61 3gke s THR 171 Ca 0.67 -1.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.07 3gke s THR 171 Cb -0.48 -1.63 0.63 0.00 -1.51 0.00 0.00 72.50 69.50 3gke s THR 171 CO 0.42 0.27 1.84 -0.90 -2.21 0.00 0.00 174.62 174.05 3gke n ASP 172 N 1.78 0.12 -0.92 8.08 5.68 -1.26 -2.92 116.55 127.11 3gke n ASP 172 Ca -0.17 -1.32 0.08 0.00 -0.50 0.00 0.00 54.79 52.88 3gke n ASP 172 Cb 0.53 -0.01 0.21 0.00 -1.14 0.00 0.00 41.12 40.72 3gke n ASP 172 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gke n ALA 173 N -0.77 2.27 -0.14 2.12 0.00 -1.26 -4.63 120.51 118.10 3gke n ALA 173 Ca 0.17 -1.18 0.12 0.00 0.00 0.00 0.00 53.44 52.55 3gke n ALA 173 Cb 0.10 -0.63 0.46 0.00 0.00 0.00 0.00 19.45 19.38 3gke n ALA 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gke h PHE 174 N 2.97 0.54 0.00 0.00 3.57 -1.92 0.67 116.94 122.78 3gke h PHE 174 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3gke h PHE 174 Cb 0.83 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3gke h PHE 174 CO 0.32 0.24 0.00 0.22 -2.23 0.00 0.00 178.31 176.86 3gke h ASP 175 N 0.50 0.00 -0.32 0.41 3.58 -1.87 -2.63 116.42 116.08 3gke h ASP 175 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 3gke h ASP 175 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3gke h ASP 175 CO -0.10 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.80 3gke n ARG 176 N -2.55 3.00 -1.61 0.28 1.74 0.23 -5.02 116.66 112.72 3gke n ARG 176 Ca -0.00 -2.55 -0.47 0.00 -0.77 0.00 0.00 57.85 54.06 3gke n ARG 176 Cb 0.15 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 3gke n ARG 176 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gke n LEU 177 N 0.01 2.12 -4.39 0.55 4.77 -0.99 -4.53 117.00 114.53 3gke n LEU 177 Ca 0.18 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.97 3gke n LEU 177 Cb 0.72 -1.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.38 3gke n LEU 177 CO 0.13 -1.03 -0.38 -1.61 -1.33 0.00 0.00 177.39 173.17 3gke s GLU 178 N -0.58 3.50 0.04 3.23 2.02 -0.17 -4.98 118.70 121.75 3gke s GLU 178 Ca 0.69 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 55.16 3gke s GLU 178 Cb -0.76 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 3gke s GLU 178 CO 0.53 0.03 -0.18 1.03 0.02 0.00 0.00 175.26 176.68 3gke s ARG 179 N 0.90 2.07 0.09 1.61 0.52 -1.26 -1.39 118.95 121.49 3gke s ARG 179 Ca -0.01 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3gke s ARG 179 Cb -0.15 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3gke s ARG 179 CO 0.01 0.54 -0.02 -1.21 0.02 0.00 0.00 175.30 174.65 3gke s GLU 180 N -1.40 0.79 -0.09 3.54 2.02 -0.78 -4.99 118.70 117.78 3gke s GLU 180 Ca 0.14 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.82 3gke s GLU 180 Cb -0.10 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.21 3gke s GLU 180 CO 0.05 -0.12 -0.12 0.08 0.02 0.00 0.00 175.26 175.17 3gke s VAL 181 N -3.85 1.23 -0.18 2.63 1.01 -1.26 -0.66 120.40 119.32 3gke s VAL 181 Ca 0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3gke s VAL 181 Cb 0.07 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3gke s VAL 181 CO -0.05 0.39 -0.04 -0.63 0.00 0.00 0.00 175.10 174.77 3gke s ILE 182 N 1.08 3.66 -0.25 2.22 1.01 0.01 -4.98 121.20 123.94 3gke s ILE 182 Ca -0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 3gke s ILE 182 Cb -0.15 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3gke s ILE 182 CO -0.02 0.46 0.06 -0.69 0.00 0.00 0.00 174.94 174.76 3gke s VAL 183 N 0.78 4.19 0.00 2.92 1.01 -1.26 -0.78 120.40 127.26 3gke s VAL 183 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3gke s VAL 183 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3gke s VAL 183 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3gke n GLY 184 N 4.91 5.06 3.48 4.51 0.00 0.10 -5.02 105.19 118.23 3gke n GLY 184 Ca -0.16 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 3gke n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 185 N -0.30 6.28 0.00 1.61 2.15 -1.26 -3.87 116.67 121.27 3gke s ASP 185 Ca 0.00 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.33 3gke s ASP 185 Cb 0.00 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 3gke s ASP 185 CO 0.00 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 3gke n GLY 186 N 5.13 0.49 3.18 2.66 0.00 -1.26 -4.99 105.19 110.40 3gke n GLY 186 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3gke n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gke s GLU 187 N -0.23 0.34 -0.03 1.61 2.12 -1.25 -2.81 118.70 118.44 3gke s GLU 187 Ca 0.00 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.76 3gke s GLU 187 Cb 0.00 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.56 3gke s GLU 187 CO 0.00 -0.05 -0.03 0.42 -0.54 0.00 0.00 175.26 175.06 3gke s ILE 188 N 0.24 0.34 -0.13 -3.70 1.01 -0.73 0.01 121.20 118.25 3gke s ILE 188 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 3gke s ILE 188 Cb -0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 3gke s ILE 188 CO -0.00 0.16 -0.08 -1.10 0.00 0.00 0.00 174.94 173.91 3gke s GLN 189 N 0.71 3.39 -0.32 2.79 -0.21 0.04 -0.33 119.66 125.73 3gke s GLN 189 Ca -0.08 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.63 3gke s GLN 189 Cb -0.11 -2.74 0.02 0.00 1.00 0.00 0.00 33.01 31.18 3gke s GLN 189 CO -0.01 0.30 0.12 0.00 -2.12 0.00 0.00 175.29 173.58 3gke s ALA 190 N 0.16 3.12 -0.10 6.09 0.00 0.41 -0.81 121.76 130.62 3gke s ALA 190 Ca -0.04 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 3gke s ALA 190 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3gke s ALA 190 CO 0.04 -1.09 0.23 -0.51 0.00 0.00 0.00 175.76 174.43 3gke s LEU 191 N 1.50 4.38 -0.06 0.00 1.43 0.16 -0.54 118.68 125.55 3gke s LEU 191 Ca 0.02 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3gke s LEU 191 Cb -0.18 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.83 3gke s LEU 191 CO 0.04 0.33 0.00 -0.04 0.23 0.00 0.00 176.35 176.91 3gke s MET 192 N -0.72 0.55 -0.12 1.70 -1.94 -1.24 -1.86 119.30 115.66 3gke s MET 192 Ca 0.17 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 3gke s MET 192 Cb -0.13 -0.87 -0.02 0.00 2.01 0.00 0.00 34.83 35.82 3gke s MET 192 CO 0.06 -0.26 -0.11 0.21 -0.01 0.00 0.00 175.02 174.90 3gke s LYS 193 N 1.78 3.24 -0.39 2.03 2.20 -0.49 -0.72 119.74 127.40 3gke s LYS 193 Ca 0.02 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 3gke s LYS 193 Cb -0.13 -2.63 0.10 0.00 -1.51 0.00 0.00 37.83 33.67 3gke s LYS 193 CO -0.04 0.32 0.16 0.42 -0.36 0.00 0.00 175.35 175.85 3gke s ILE 194 N 0.09 3.07 -0.15 5.43 1.09 0.62 -1.00 121.20 130.35 3gke s ILE 194 Ca -0.05 -2.06 -0.17 0.00 -1.10 0.00 0.00 60.65 57.28 3gke s ILE 194 Cb -0.14 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 3gke s ILE 194 CO 0.04 -0.63 0.44 -2.16 -0.10 0.00 0.00 174.94 172.54 3gke s PRO 195 N 1.10 4.28 0.00 2.79 0.04 -1.26 -1.26 135.00 140.69 3gke s PRO 195 Ca 0.08 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3gke s PRO 195 Cb -0.22 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.85 3gke s PRO 195 CO -0.05 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3gke n GLY 196 N 3.48 0.75 3.91 0.56 0.00 -0.52 -4.90 105.19 108.47 3gke n GLY 196 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3gke n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gke s GLY 197 N -1.81 1.63 0.37 -0.02 0.00 -1.09 -4.60 107.32 101.79 3gke s GLY 197 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 3gke s GLY 197 CO 0.00 -0.31 1.50 -1.59 0.00 0.00 0.00 173.10 172.69 3gke s THR 198 N -3.18 2.05 0.50 0.90 2.01 -1.26 -0.83 115.64 115.82 3gke s THR 198 Ca 0.57 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 3gke s THR 198 Cb -0.11 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 3gke s THR 198 CO 0.47 0.01 1.36 -2.16 -0.69 0.00 0.00 174.62 173.61 3gke s PRO 199 N -1.97 3.43 1.11 4.92 0.04 -1.26 -4.57 135.00 136.69 3gke s PRO 199 Ca 0.54 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.69 3gke s PRO 199 Cb -0.47 -2.43 0.25 0.00 0.04 0.00 0.00 34.50 31.89 3gke s PRO 199 CO 0.62 -0.96 1.05 -1.54 0.04 0.00 0.00 177.00 176.21 3gke s SER 200 N -0.84 1.54 0.18 6.66 1.04 -1.26 -4.64 113.70 116.38 3gke s SER 200 Ca 0.66 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.39 3gke s SER 200 Cb -0.40 -2.17 0.15 0.00 0.10 0.00 0.00 66.02 63.71 3gke s SER 200 CO 0.49 -3.84 1.74 0.58 0.98 0.00 0.00 173.24 173.19 3gke h VAL 201 N -2.38 0.82 -0.08 5.02 2.07 -1.75 0.30 116.25 120.25 3gke h VAL 201 Ca -0.59 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3gke h VAL 201 Cb 1.33 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3gke h VAL 201 CO 0.52 0.06 0.05 0.25 0.02 0.00 0.00 177.57 178.47 3gke h LEU 202 N 0.31 0.10 -1.21 2.57 5.85 -1.36 -2.24 115.31 119.32 3gke h LEU 202 Ca 0.23 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3gke h LEU 202 Cb 0.25 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3gke h LEU 202 CO -0.25 0.12 0.08 0.24 -0.34 0.00 0.00 178.44 178.29 3gke h MET 203 N 0.07 0.62 -0.44 1.25 2.86 -1.69 -1.64 114.93 115.95 3gke h MET 203 Ca 0.03 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3gke h MET 203 Cb 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3gke h MET 203 CO -0.01 0.59 0.10 0.00 1.06 0.00 0.00 176.91 178.65 3gke h ALA 204 N 1.48 1.35 -0.48 6.32 0.00 -0.25 -1.64 119.26 126.03 3gke h ALA 204 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3gke h ALA 204 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gke h ALA 204 CO 0.00 0.46 -0.14 0.87 0.00 0.00 0.00 179.25 180.44 3gke h LYS 205 N 0.64 0.92 -0.90 0.00 1.57 -0.74 0.55 116.57 118.61 3gke h LYS 205 Ca 0.14 -0.34 0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3gke h LYS 205 Cb 0.26 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 3gke h LYS 205 CO -0.00 1.00 0.54 0.74 -0.57 0.00 0.00 179.45 181.16 3gke h PHE 206 N 0.81 0.98 -0.04 -1.35 -1.00 -0.75 -1.76 116.94 113.83 3gke h PHE 206 Ca 0.12 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.93 3gke h PHE 206 Cb 0.68 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.94 3gke h PHE 206 CO 0.04 0.41 0.00 1.28 -1.61 0.00 0.00 178.31 178.43 3gke n LEU 207 N -4.68 1.41 -3.30 1.54 4.77 -0.67 -4.93 117.00 111.14 3gke n LEU 207 Ca 0.15 -0.50 -0.18 0.00 -0.03 0.00 0.00 56.01 55.45 3gke n LEU 207 Cb 0.29 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3gke n LEU 207 CO 0.28 0.25 0.16 0.54 -1.33 0.00 0.00 177.39 177.28 3gke n ARG 208 N 0.11 -6.67 0.00 3.23 1.74 -0.31 -3.76 116.66 110.99 3gke n ARG 208 Ca 0.19 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 3gke n ARG 208 Cb 0.33 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 3gke n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gke n GLY 209 N -1.44 3.27 3.67 -0.13 0.00 0.18 -5.01 105.19 105.72 3gke n GLY 209 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 3gke n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke n ALA 210 N -1.68 1.04 -0.11 4.61 0.00 -1.25 -4.87 120.51 118.26 3gke n ALA 210 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3gke n ALA 210 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3gke n ALA 210 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gke n ASN 211 N 4.18 1.45 -4.85 0.00 0.23 -1.26 -4.73 115.26 110.29 3gke n ASN 211 Ca 0.19 -1.56 -0.29 0.00 -0.53 0.00 0.00 54.58 52.38 3gke n ASN 211 Cb 0.28 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.07 3gke n ASN 211 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3gke s THR 212 N -0.56 2.64 0.50 5.53 -4.23 -1.26 -4.63 115.64 113.62 3gke s THR 212 Ca 0.00 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 3gke s THR 212 Cb 0.00 -3.08 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 3gke s THR 212 CO 0.00 -0.27 1.30 -2.84 -0.54 0.00 0.00 174.62 172.27 3gke s PRO 213 N -5.35 3.47 0.19 3.99 0.02 -1.26 -4.43 135.00 131.63 3gke s PRO 213 Ca 0.61 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.77 3gke s PRO 213 Cb -0.13 -2.40 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 3gke s PRO 213 CO 0.52 -0.89 -0.04 0.14 -0.33 0.00 0.00 177.00 176.41 3gke s VAL 214 N -1.36 1.02 -0.03 3.83 -7.23 -0.01 -3.84 120.40 112.78 3gke s VAL 214 Ca 0.66 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 3gke s VAL 214 Cb -0.37 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3gke s VAL 214 CO 0.45 -0.50 0.32 -1.81 -0.31 0.00 0.00 175.10 173.25 3gke s ASP 215 N -3.23 6.66 0.15 4.85 1.01 0.07 -1.43 116.67 124.74 3gke s ASP 215 Ca 0.23 0.79 0.07 0.00 0.71 0.00 0.00 52.55 54.35 3gke s ASP 215 Cb 0.05 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3gke s ASP 215 CO 0.05 0.34 -0.16 0.00 0.21 0.00 0.00 175.17 175.61 3gke s ALA 216 N -1.10 1.74 0.08 5.23 0.00 -0.39 -0.97 121.76 126.35 3gke s ALA 216 Ca 0.22 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3gke s ALA 216 Cb -0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3gke s ALA 216 CO 0.11 0.14 -0.15 -1.58 0.00 0.00 0.00 175.76 174.28 3gke s TRP 217 N -2.24 1.30 -0.43 0.00 0.51 -0.02 -0.27 118.94 117.79 3gke s TRP 217 Ca 0.13 -0.45 0.05 0.00 -2.12 0.00 0.00 56.10 53.71 3gke s TRP 217 Cb -0.04 -0.73 0.17 0.00 -0.81 0.00 0.00 33.47 32.06 3gke s TRP 217 CO 0.05 0.08 0.42 -1.71 -0.51 0.00 0.00 176.95 175.28 3gke n ASN 218 N 1.26 -1.11 -4.90 2.95 5.15 0.11 -1.75 115.26 116.96 3gke n ASN 218 Ca -0.21 -2.49 -0.28 0.00 -0.60 0.00 0.00 54.58 51.01 3gke n ASN 218 Cb 0.54 -0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 3gke n ASN 218 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3gke s ASP 219 N 0.21 6.39 -0.06 1.20 1.01 -0.12 -3.69 116.67 121.61 3gke s ASP 219 Ca 0.32 0.81 -0.06 0.00 0.71 0.00 0.00 52.55 54.34 3gke s ASP 219 Cb 0.03 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.79 3gke s ASP 219 CO -0.17 -0.35 0.17 -0.51 0.21 0.00 0.00 175.17 174.52 3gke s ILE 220 N -2.35 -0.00 -0.17 0.77 2.07 0.30 -0.47 121.20 121.34 3gke s ILE 220 Ca 0.46 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.68 3gke s ILE 220 Cb -0.10 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 3gke s ILE 220 CO 0.35 0.00 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.73 3gke s ARG 221 N 0.15 3.53 -0.14 3.50 3.52 0.01 -0.45 118.95 129.08 3gke s ARG 221 Ca -0.01 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3gke s ARG 221 Cb -0.02 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3gke s ARG 221 CO -0.00 0.12 0.04 -0.46 -0.81 0.00 0.00 175.30 174.19 3gke s TRP 222 N 0.65 3.24 0.04 5.12 -0.00 0.55 -1.14 118.94 127.41 3gke s TRP 222 Ca -0.03 0.13 0.08 0.00 -0.00 0.00 0.00 56.10 56.28 3gke s TRP 222 Cb -0.15 -1.95 -0.03 0.00 -0.00 0.00 0.00 33.47 31.34 3gke s TRP 222 CO 0.02 0.31 -0.23 -0.80 -0.00 0.00 0.00 176.95 176.25 3gke s ASN 223 N -0.23 3.40 0.52 5.86 -0.87 -0.34 -1.77 114.94 121.52 3gke s ASN 223 Ca 0.07 -0.53 -0.21 0.00 -1.57 0.00 0.00 52.86 50.62 3gke s ASN 223 Cb -0.12 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.25 40.63 3gke s ASN 223 CO 0.02 0.26 1.07 2.29 -2.57 0.00 0.00 177.10 178.17 3gke n LYS 224 N 1.69 1.26 0.10 -0.60 2.85 -1.12 -2.30 118.16 120.03 3gke n LYS 224 Ca -0.17 0.47 -0.23 0.00 -1.05 0.00 0.00 58.31 57.33 3gke n LYS 224 Cb 0.52 -2.22 -0.15 0.00 -0.65 0.00 0.00 35.03 32.53 3gke n LYS 224 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3gke h VAL 225 N 1.10 1.21 -0.22 0.58 2.07 -1.95 -3.43 116.25 115.60 3gke h VAL 225 Ca -0.48 -2.59 -0.22 0.00 0.82 0.00 0.00 66.70 64.23 3gke h VAL 225 Cb 1.34 2.97 -0.23 0.00 -1.52 0.00 0.00 31.29 33.84 3gke h VAL 225 CO 0.54 0.79 -0.59 -1.54 0.02 0.00 0.00 177.57 176.80 3gke n SER 226 N -3.79 -0.58 -4.30 0.57 3.41 -1.18 -4.93 113.62 102.83 3gke n SER 226 Ca -0.19 -2.31 -0.35 0.00 -0.26 0.00 0.00 58.87 55.75 3gke n SER 226 Cb 1.02 0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 65.21 3gke n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gke s ALA 227 N -1.09 2.81 0.07 7.33 0.00 -0.97 -1.71 121.76 128.20 3gke s ALA 227 Ca 0.19 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.00 3gke s ALA 227 Cb 0.41 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 3gke s ALA 227 CO -0.08 -0.51 -0.22 -1.64 0.00 0.00 0.00 175.76 173.32 3gke s MET 228 N 1.46 1.34 -0.10 0.00 -1.94 -0.46 -1.20 119.30 118.41 3gke s MET 228 Ca 0.05 -1.06 -0.00 0.00 -1.71 0.00 0.00 55.69 52.96 3gke s MET 228 Cb -0.15 -1.55 0.02 0.00 2.01 0.00 0.00 34.83 35.17 3gke s MET 228 CO -0.03 0.38 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.12 3gke s LEU 229 N -1.49 1.15 0.43 -0.03 2.96 -0.29 -1.10 118.68 120.30 3gke s LEU 229 Ca 0.08 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3gke s LEU 229 Cb -0.09 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.81 3gke s LEU 229 CO 0.03 -0.12 0.49 0.54 -1.32 0.00 0.00 176.35 175.97 3gke s ASN 230 N 1.65 5.33 -0.26 3.68 4.22 -0.15 -0.81 114.94 128.59 3gke s ASN 230 Ca 0.03 -0.61 -0.02 0.00 -2.14 0.00 0.00 52.86 50.12 3gke s ASN 230 Cb -0.13 -0.54 0.08 0.00 1.28 0.00 0.00 41.25 41.94 3gke s ASN 230 CO -0.07 -0.75 0.07 0.12 -2.04 0.00 0.00 177.10 174.43 3gke s PHE 231 N -2.43 1.31 -0.24 1.54 5.36 0.38 -1.42 117.98 122.48 3gke s PHE 231 Ca 0.52 -1.28 -0.06 0.00 -0.96 0.00 0.00 56.93 55.15 3gke s PHE 231 Cb -0.06 -1.34 -0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3gke s PHE 231 CO 0.31 -0.76 0.02 0.42 -1.46 0.00 0.00 175.22 173.75 3gke s ILE 232 N 1.76 3.86 0.01 3.12 1.01 -0.03 -0.94 121.20 129.98 3gke s ILE 232 Ca 0.04 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3gke s ILE 232 Cb -0.17 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.51 3gke s ILE 232 CO -0.18 0.36 0.23 0.00 0.00 0.00 0.00 174.94 175.35 3gke s ALA 233 N 1.55 -0.55 -0.10 9.38 0.00 -0.72 -0.51 121.76 130.81 3gke s ALA 233 Ca 0.06 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 3gke s ALA 233 Cb -0.15 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3gke s ALA 233 CO 0.00 -0.29 0.36 0.54 0.00 0.00 0.00 175.76 176.37 3gke s VAL 234 N -1.76 0.02 0.18 0.00 0.11 -0.86 -0.84 120.40 117.25 3gke s VAL 234 Ca -0.11 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 3gke s VAL 234 Cb -0.04 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3gke s VAL 234 CO 0.01 -0.08 0.52 0.00 -3.33 0.00 0.00 175.10 172.21 3gke s ALA 235 N -0.31 -1.02 0.49 1.54 0.00 -0.14 -3.32 121.76 118.99 3gke s ALA 235 Ca -0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 3gke s ALA 235 Cb -0.03 0.83 -0.09 0.00 0.00 0.00 0.00 23.12 23.83 3gke s ALA 235 CO 0.02 -0.78 0.94 -2.30 0.00 0.00 0.00 175.76 173.64 3gke n PRO 236 N -0.33 1.12 -1.56 0.00 -0.02 -1.26 -0.75 135.00 132.20 3gke n PRO 236 Ca -0.12 0.41 -0.51 0.00 -2.02 0.00 0.00 63.50 61.27 3gke n PRO 236 Cb 0.63 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 3gke n PRO 236 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gke n GLU 237 N -0.20 0.95 0.00 -0.52 1.02 -1.25 -2.12 120.64 118.52 3gke n GLU 237 Ca 0.11 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3gke n GLU 237 Cb 0.42 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3gke n GLU 237 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gke n GLY 238 N 2.08 2.16 3.73 0.62 0.00 -1.26 -4.93 105.19 107.58 3gke n GLY 238 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gke n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gke s THR 239 N -2.33 4.45 0.12 2.61 -4.23 -0.90 -4.97 115.64 110.38 3gke s THR 239 Ca 0.00 2.05 -0.32 0.00 -1.18 0.00 0.00 61.69 62.24 3gke s THR 239 Cb 0.00 -4.31 -0.11 0.00 1.34 0.00 0.00 72.50 69.42 3gke s THR 239 CO 0.00 0.32 1.79 -0.81 -0.54 0.00 0.00 174.62 175.39 3gke n PRO 240 N 2.71 2.64 0.00 3.99 -0.04 -1.26 -4.88 135.00 138.16 3gke n PRO 240 Ca 0.02 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3gke n PRO 240 Cb 0.49 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 3gke n PRO 240 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3gke n LYS 241 N 5.23 0.00 0.16 0.54 4.81 -1.26 0.23 118.16 127.87 3gke n LYS 241 Ca 0.18 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 3gke n LYS 241 Cb 0.35 0.00 0.53 0.00 0.02 0.00 0.00 35.03 35.93 3gke n LYS 241 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3gke h GLU 242 N 0.00 0.00 -0.27 1.64 3.07 -2.03 -2.19 114.58 114.81 3gke h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gke h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gke h GLU 242 CO 0.00 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.65 3gke n GLN 243 N -2.42 2.46 -2.02 2.33 6.02 0.13 -5.00 117.38 118.89 3gke n GLN 243 Ca 0.02 -2.18 -0.31 0.00 -0.01 0.00 0.00 57.00 54.52 3gke n GLN 243 Cb 0.25 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3gke n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gke s SER 244 N -1.67 6.28 0.25 1.08 1.04 -0.82 -5.01 113.70 114.84 3gke s SER 244 Ca 0.35 1.38 -0.30 0.00 0.48 0.00 0.00 55.95 57.86 3gke s SER 244 Cb 0.22 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.80 3gke s SER 244 CO 0.31 -0.80 1.01 0.27 0.98 0.00 0.00 173.24 175.01 3gke s ILE 245 N -3.07 3.84 0.09 -1.02 -4.36 -1.21 -4.95 121.20 110.52 3gke s ILE 245 Ca 0.54 1.84 -0.16 0.00 -0.26 0.00 0.00 60.65 62.62 3gke s ILE 245 Cb -0.11 -4.17 0.03 0.00 1.25 0.00 0.00 42.46 39.46 3gke s ILE 245 CO 0.50 0.43 0.37 -1.38 0.24 0.00 0.00 174.94 175.11 3gke s HIS 246 N -1.11 -0.17 -0.12 1.37 -3.43 -1.26 -2.04 115.29 108.52 3gke s HIS 246 Ca 0.43 -0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.64 3gke s HIS 246 Cb -0.28 0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 3gke s HIS 246 CO 0.36 -0.63 -0.18 0.45 -2.00 0.00 0.00 174.74 172.73 3gke s SER 247 N -2.54 3.53 -0.31 7.38 0.15 0.33 -2.13 113.70 120.11 3gke s SER 247 Ca 0.00 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.03 3gke s SER 247 Cb 0.01 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.79 3gke s SER 247 CO -0.09 0.15 0.41 -0.13 1.20 0.00 0.00 173.24 174.78 3gke s ARG 248 N 0.45 3.79 -0.24 5.44 0.52 0.14 -0.85 118.95 128.19 3gke s ARG 248 Ca -0.13 -0.12 -0.10 0.00 -0.52 0.00 0.00 55.73 54.86 3gke s ARG 248 Cb -0.17 -3.74 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 3gke s ARG 248 CO 0.06 -0.45 0.14 0.20 0.02 0.00 0.00 175.30 175.27 3gke s GLY 249 N 1.69 1.94 -0.11 -3.53 0.00 -0.50 -0.82 107.32 105.98 3gke s GLY 249 Ca 0.15 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 3gke s GLY 249 CO 0.11 0.41 1.21 -1.59 0.00 0.00 0.00 173.10 173.24 3gke s THR 250 N 1.16 4.32 -0.38 0.90 2.01 0.23 -0.98 115.64 122.89 3gke s THR 250 Ca 0.07 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.69 3gke s THR 250 Cb -0.14 -4.04 0.14 0.00 0.01 0.00 0.00 72.50 68.46 3gke s THR 250 CO 0.05 -0.07 0.22 -1.00 -0.69 0.00 0.00 174.62 173.13 3gke s HIS 251 N 2.79 1.26 -0.12 4.92 3.76 -0.26 -1.03 115.29 126.62 3gke s HIS 251 Ca 0.54 -1.94 0.03 0.00 -0.15 0.00 0.00 55.06 53.54 3gke s HIS 251 Cb -0.22 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.13 3gke s HIS 251 CO 0.18 -0.81 -0.22 0.42 -0.85 0.00 0.00 174.74 173.45 3gke s ILE 252 N 0.82 2.15 0.06 0.60 1.01 -0.21 -1.35 121.20 124.28 3gke s ILE 252 Ca 0.17 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3gke s ILE 252 Cb -0.23 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3gke s ILE 252 CO -0.01 0.55 -0.05 -0.76 0.00 0.00 0.00 174.94 174.68 3gke s LEU 253 N 0.51 3.26 -0.05 2.97 1.43 -0.69 -0.68 118.68 125.44 3gke s LEU 253 Ca -0.14 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3gke s LEU 253 Cb -0.17 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3gke s LEU 253 CO 0.05 0.22 0.03 -0.89 0.23 0.00 0.00 176.35 175.98 3gke s THR 254 N -1.17 0.12 0.40 5.49 2.01 -0.44 -4.70 115.64 117.35 3gke s THR 254 Ca 0.21 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 3gke s THR 254 Cb -0.11 -0.31 -0.10 0.00 0.01 0.00 0.00 72.50 71.99 3gke s THR 254 CO 0.13 0.20 1.48 -2.84 -0.69 0.00 0.00 174.62 172.90 3gke s PRO 255 N 1.80 3.98 -0.06 4.92 0.02 -1.26 -0.98 135.00 143.42 3gke s PRO 255 Ca 0.01 2.56 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 3gke s PRO 255 Cb -0.12 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 3gke s PRO 255 CO -0.03 -0.63 -0.12 -1.91 -0.33 0.00 0.00 177.00 173.97 3gke n GLU 256 N 0.27 0.19 -4.19 5.54 2.13 0.02 -0.73 120.64 123.86 3gke n GLU 256 Ca 0.02 0.08 -0.26 0.00 0.66 0.00 0.00 57.16 57.66 3gke n GLU 256 Cb 0.40 -0.83 -0.06 0.00 0.27 0.00 0.00 31.44 31.22 3gke n GLU 256 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gke n THR 257 N -3.19 0.00 0.17 6.31 -2.24 -1.04 -0.51 114.28 113.78 3gke n THR 257 Ca -0.05 -1.99 0.13 0.00 -2.27 0.00 0.00 64.05 59.87 3gke n THR 257 Cb 0.18 0.45 0.69 0.00 -2.10 0.00 0.00 70.33 69.56 3gke n THR 257 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gke h GLU 258 N 0.00 0.00 -0.04 -0.78 4.81 -1.97 -2.89 114.58 113.72 3gke h GLU 258 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3gke h GLU 258 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3gke h GLU 258 CO 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 3gke n ALA 259 N -2.54 2.30 -2.71 2.92 0.00 -1.26 -4.07 120.51 115.15 3gke n ALA 259 Ca 0.02 -2.35 -0.10 0.00 0.00 0.00 0.00 53.44 51.01 3gke n ALA 259 Cb 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 3gke n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gke s SER 260 N -2.49 0.04 0.22 0.00 1.04 -1.09 -2.08 113.70 109.34 3gke s SER 260 Ca 0.29 -0.51 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 3gke s SER 260 Cb 0.25 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3gke s SER 260 CO 0.03 -0.70 0.52 0.00 0.98 0.00 0.00 173.24 174.07 3gke s HIS 262 N -3.94 3.22 -0.20 0.00 3.76 -0.15 -1.43 115.29 116.55 3gke s HIS 262 Ca 0.15 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.24 3gke s HIS 262 Cb -0.01 -1.86 0.04 0.00 1.11 0.00 0.00 32.58 31.86 3gke s HIS 262 CO 0.03 0.42 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.76 3gke s TYR 263 N -0.63 2.51 -0.26 1.40 6.14 0.38 -1.33 117.35 125.56 3gke s TYR 263 Ca 0.11 -1.66 -0.08 0.00 0.64 0.00 0.00 57.07 56.07 3gke s TYR 263 Cb -0.12 -1.68 -0.03 0.00 0.42 0.00 0.00 41.96 40.56 3gke s TYR 263 CO 0.02 -0.76 0.09 -0.06 0.64 0.00 0.00 175.55 175.48 3gke s PHE 264 N 1.36 3.11 0.12 4.97 0.08 0.15 -0.79 117.98 126.98 3gke s PHE 264 Ca -0.02 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.66 3gke s PHE 264 Cb -0.16 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3gke s PHE 264 CO -0.08 -0.37 -0.15 -0.59 -0.10 0.00 0.00 175.22 173.94 3gke s PHE 265 N 1.62 1.44 0.11 0.36 -0.12 -0.72 -1.05 117.98 119.62 3gke s PHE 265 Ca 0.06 -0.54 -0.25 0.00 -0.05 0.00 0.00 56.93 56.15 3gke s PHE 265 Cb -0.15 -0.76 0.07 0.00 -0.63 0.00 0.00 43.02 41.55 3gke s PHE 265 CO 0.04 0.16 0.82 0.20 -0.05 0.00 0.00 175.22 176.39 3gke s GLY 266 N -2.41 -0.39 -0.09 1.99 0.00 -0.20 -1.19 107.32 105.04 3gke s GLY 266 Ca 0.09 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.32 3gke s GLY 266 CO 0.03 0.15 -0.14 -0.45 0.00 0.00 0.00 173.10 172.69 3gke s SER 267 N -2.72 2.19 -0.35 1.64 0.15 0.24 -0.60 113.70 114.24 3gke s SER 267 Ca 0.07 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 3gke s SER 267 Cb -0.02 -0.99 0.09 0.00 -1.71 0.00 0.00 66.02 63.39 3gke s SER 267 CO -0.05 0.03 0.09 -0.44 1.20 0.00 0.00 173.24 174.07 3gke s SER 268 N 0.81 4.99 0.14 5.45 0.01 -0.00 -1.29 113.70 123.80 3gke s SER 268 Ca -0.11 -1.77 0.06 0.00 1.31 0.00 0.00 55.95 55.44 3gke s SER 268 Cb -0.16 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 3gke s SER 268 CO 0.02 -0.40 -0.00 0.00 0.41 0.00 0.00 173.24 173.27 3gke s ARG 269 N 1.12 2.45 -0.07 12.44 1.70 0.48 -0.69 118.95 136.38 3gke s ARG 269 Ca 0.03 -0.99 0.18 0.00 -0.47 0.00 0.00 55.73 54.48 3gke s ARG 269 Cb -0.21 -2.43 0.62 0.00 -0.57 0.00 0.00 34.95 32.36 3gke s ARG 269 CO -0.04 0.49 1.53 0.27 -1.08 0.00 0.00 175.30 176.47 3gke n ASN 270 N 0.19 4.18 -4.11 -2.89 6.94 -0.91 -0.61 115.26 118.06 3gke n ASN 270 Ca -0.10 -2.30 -0.12 0.00 -0.02 0.00 0.00 54.58 52.03 3gke n ASN 270 Cb 0.54 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.35 3gke n ASN 270 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3gke s PHE 271 N -1.56 0.77 -1.42 -2.53 -0.12 -1.26 -4.84 117.98 107.01 3gke s PHE 271 Ca 0.45 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3gke s PHE 271 Cb 0.28 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.22 3gke s PHE 271 CO 0.24 -0.10 0.46 0.41 -0.05 0.00 0.00 175.22 176.17 3gke n GLY 272 N 0.91 -0.24 0.22 1.99 0.00 -1.26 -4.84 105.19 101.97 3gke n GLY 272 Ca -0.19 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3gke n GLY 272 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gke h ILE 273 N -1.82 1.25 -1.91 -0.61 2.04 -1.90 -2.94 117.51 111.62 3gke h ILE 273 Ca -0.63 -1.20 -0.68 0.00 1.00 0.00 0.00 64.86 63.35 3gke h ILE 273 Cb 1.38 1.45 -0.35 0.00 -0.74 0.00 0.00 36.82 38.56 3gke h ILE 273 CO 0.63 0.37 0.14 0.47 0.00 0.00 0.00 178.15 179.76 3gke n ASP 274 N -4.13 6.00 -3.64 1.72 8.00 -1.26 -4.83 116.55 118.41 3gke n ASP 274 Ca -0.01 -3.75 -0.29 0.00 0.71 0.00 0.00 54.79 51.45 3gke n ASP 274 Cb 0.39 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 3gke n ASP 274 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gke s ASP 275 N -2.39 3.71 0.51 -2.24 -1.08 -1.11 -4.99 116.67 109.08 3gke s ASP 275 Ca 0.48 -1.72 0.21 0.00 -0.52 0.00 0.00 52.55 51.00 3gke s ASP 275 Cb 0.36 -0.67 1.34 0.00 -1.46 0.00 0.00 42.92 42.49 3gke s ASP 275 CO -0.25 -0.39 2.10 1.55 0.52 0.00 0.00 175.17 178.70 3gke h PRO 276 N 7.89 0.00 -0.18 4.34 0.13 -1.92 -1.44 132.00 140.82 3gke h PRO 276 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.83 3gke h PRO 276 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gke h PRO 276 CO 0.44 0.09 -0.64 0.93 -0.23 0.00 0.00 178.00 178.59 3gke h GLU 277 N 0.00 0.66 -0.57 0.86 3.07 -1.96 -1.67 114.58 114.97 3gke h GLU 277 Ca -0.00 -0.47 -0.07 0.00 -0.50 0.00 0.00 59.36 58.32 3gke h GLU 277 Cb 0.20 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3gke h GLU 277 CO 0.01 1.09 0.08 1.98 -1.40 0.00 0.00 179.01 180.77 3gke h MET 278 N 0.48 0.92 -0.71 2.33 4.05 -1.77 -0.89 114.93 119.34 3gke h MET 278 Ca -0.01 -0.23 0.14 0.00 -0.28 0.00 0.00 59.70 59.32 3gke h MET 278 Cb 1.23 -0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 31.82 3gke h MET 278 CO 0.13 0.86 0.22 -0.44 0.23 0.00 0.00 176.91 177.90 3gke h ASP 279 N 0.86 0.13 -0.50 1.39 3.32 -1.04 -1.37 116.42 119.22 3gke h ASP 279 Ca 0.18 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3gke h ASP 279 Cb 0.40 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3gke h ASP 279 CO 0.01 0.04 -0.05 1.23 -1.72 0.00 0.00 179.24 178.75 3gke h GLY 280 N 0.34 1.03 0.67 2.75 0.00 -0.32 0.20 103.07 107.74 3gke h GLY 280 Ca 0.39 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.98 3gke h GLY 280 CO -0.43 0.71 -0.01 -2.08 0.00 0.00 0.00 176.54 174.73 3gke h VAL 281 N 0.87 0.85 -0.42 4.60 2.07 -0.52 0.31 116.25 124.00 3gke h VAL 281 Ca 0.15 -0.02 -0.15 0.00 0.82 0.00 0.00 66.70 67.50 3gke h VAL 281 Cb 0.58 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3gke h VAL 281 CO 0.04 0.01 -0.32 -0.07 0.02 0.00 0.00 177.57 177.25 3gke h LEU 282 N 0.05 0.99 -0.66 2.57 -0.00 -0.87 -0.69 115.31 116.70 3gke h LEU 282 Ca 0.10 -0.42 -0.07 0.00 -0.00 0.00 0.00 57.88 57.48 3gke h LEU 282 Cb 0.13 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 3gke h LEU 282 CO -0.17 1.21 0.13 0.03 -0.00 0.00 0.00 178.44 179.64 3gke h ARG 283 N 0.79 1.08 -0.43 1.13 3.08 -0.79 -0.45 114.38 118.78 3gke h ARG 283 Ca 0.08 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 3gke h ARG 283 Cb 0.90 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3gke h ARG 283 CO 0.08 0.99 -0.24 0.66 -1.07 0.00 0.00 179.97 180.39 3gke h SER 284 N 1.01 0.92 -0.25 7.04 4.64 -0.82 -0.22 113.55 125.87 3gke h SER 284 Ca 0.20 -0.35 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3gke h SER 284 Cb 0.41 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 3gke h SER 284 CO 0.01 1.11 0.02 -0.25 -0.87 0.00 0.00 176.83 176.85 3gke h TRP 285 N 0.77 0.03 -0.81 4.77 2.91 -0.98 -0.77 115.95 121.87 3gke h TRP 285 Ca 0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3gke h TRP 285 Cb 0.79 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.42 3gke h TRP 285 CO 0.05 -0.01 0.51 1.96 -1.03 0.00 0.00 178.44 179.92 3gke h GLN 286 N 0.11 1.08 -0.61 2.65 4.20 -0.77 0.22 115.11 121.98 3gke h GLN 286 Ca 0.12 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3gke h GLN 286 Cb 0.14 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3gke h GLN 286 CO -0.18 0.74 -0.00 0.00 -0.67 0.00 0.00 178.83 178.72 3gke h ALA 287 N 1.28 0.84 0.03 3.87 0.00 -0.79 -1.92 119.26 122.56 3gke h ALA 287 Ca 0.29 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3gke h ALA 287 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3gke h ALA 287 CO -0.06 0.67 -0.71 0.37 0.00 0.00 0.00 179.25 179.52 3gke h GLN 288 N 0.98 0.06 -0.01 0.00 5.75 -0.90 -2.91 115.11 118.09 3gke h GLN 288 Ca 0.17 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3gke h GLN 288 Cb 0.56 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3gke h GLN 288 CO 0.03 1.05 -0.06 0.00 -2.65 0.00 0.00 178.83 177.20 3gke h ALA 289 N -0.16 0.02 0.00 3.38 0.00 -0.67 -0.58 119.26 121.24 3gke h ALA 289 Ca -0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3gke h ALA 289 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3gke h ALA 289 CO -0.05 -0.09 -0.88 -0.07 0.00 0.00 0.00 179.25 178.16 3gke h LEU 290 N -0.60 0.00 0.00 0.00 3.38 -1.48 -0.51 115.31 116.09 3gke h LEU 290 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3gke h LEU 290 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3gke h LEU 290 CO 0.01 1.11 -0.34 0.58 0.09 0.00 0.00 178.44 179.89 3gke h VAL 291 N -1.00 0.32 0.00 1.22 2.07 -1.52 -3.11 116.25 114.23 3gke h VAL 291 Ca -0.17 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3gke h VAL 291 Cb 0.89 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3gke h VAL 291 CO -0.10 0.18 0.00 1.17 0.02 0.00 0.00 177.57 178.84 3gke n LYS 292 N -3.09 0.00 0.00 1.57 4.81 -1.10 -4.54 118.16 115.82 3gke n LYS 292 Ca 0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 3gke n LYS 292 Cb 0.62 -0.43 -0.09 0.00 0.02 0.00 0.00 35.03 35.15 3gke n LYS 292 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3gke h GLU 293 N 0.00 0.01 -0.51 1.64 5.08 -1.01 -0.34 114.58 119.46 3gke h GLU 293 Ca 0.00 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3gke h GLU 293 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3gke h GLU 293 CO 0.00 0.32 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.87 3gke h ASP 294 N -0.29 0.89 -0.50 1.42 3.32 -1.22 -2.52 116.42 117.52 3gke h ASP 294 Ca 0.00 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 56.84 3gke h ASP 294 Cb 0.31 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 3gke h ASP 294 CO 0.00 0.99 -0.04 0.50 -1.72 0.00 0.00 179.24 178.97 3gke h LYS 295 N 0.77 0.07 -0.80 3.56 3.64 -1.45 -1.10 116.57 121.26 3gke h LYS 295 Ca 0.14 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3gke h LYS 295 Cb 0.55 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3gke h LYS 295 CO 0.03 0.05 0.44 0.28 -2.27 0.00 0.00 179.45 177.98 3gke h VAL 296 N 0.07 1.24 0.23 2.00 2.07 -0.77 0.11 116.25 121.20 3gke h VAL 296 Ca 0.25 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3gke h VAL 296 Cb 0.38 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3gke h VAL 296 CO -0.46 0.26 -0.11 0.58 0.02 0.00 0.00 177.57 177.87 3gke h VAL 297 N 1.12 0.84 -0.14 2.57 2.07 -1.04 -2.37 116.25 119.30 3gke h VAL 297 Ca 0.28 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 3gke h VAL 297 Cb 0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3gke h VAL 297 CO -0.05 0.14 -0.46 -0.37 0.02 0.00 0.00 177.57 176.85 3gke h VAL 298 N -0.65 1.33 -0.60 2.57 -1.51 -1.05 -1.13 116.25 115.20 3gke h VAL 298 Ca -0.03 -1.66 -0.07 0.00 -1.23 0.00 0.00 66.70 63.70 3gke h VAL 298 Cb 0.46 1.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 3gke h VAL 298 CO 0.05 0.50 0.08 -0.33 -1.23 0.00 0.00 177.57 176.65 3gke h GLU 299 N 0.29 0.98 -0.67 5.19 5.08 -0.85 -1.09 114.58 123.51 3gke h GLU 299 Ca 0.02 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3gke h GLU 299 Cb 0.93 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3gke h GLU 299 CO 0.08 0.92 0.34 0.00 -1.00 0.00 0.00 179.01 179.34 3gke h ALA 300 N 1.16 0.86 -0.82 3.43 0.00 -0.98 -2.11 119.26 120.81 3gke h ALA 300 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gke h ALA 300 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gke h ALA 300 CO 0.01 0.41 0.41 0.82 0.00 0.00 0.00 179.25 180.91 3gke h ILE 301 N 0.93 1.25 -0.89 0.00 2.04 -0.99 -2.18 117.51 117.67 3gke h ILE 301 Ca 0.23 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3gke h ILE 301 Cb 0.09 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 3gke h ILE 301 CO -0.03 0.29 0.49 -0.08 0.00 0.00 0.00 178.15 178.81 3gke h GLU 302 N 1.15 1.23 0.00 2.37 4.57 -0.95 -0.94 114.58 122.02 3gke h GLU 302 Ca 0.28 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3gke h GLU 302 Cb 0.08 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3gke h GLU 302 CO -0.04 0.90 -0.02 0.00 -1.18 0.00 0.00 179.01 178.67 3gke h ARG 303 N 1.24 0.00 -0.01 1.92 3.08 -0.77 -2.15 114.38 117.70 3gke h ARG 303 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3gke h ARG 303 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3gke h ARG 303 CO -0.05 0.02 -0.17 0.54 -1.07 0.00 0.00 179.97 179.24 3gke n ARG 304 N -3.17 1.37 -0.18 0.04 1.74 -0.38 -4.34 116.66 111.74 3gke n ARG 304 Ca -0.01 -0.91 -0.04 0.00 -0.77 0.00 0.00 57.85 56.12 3gke n ARG 304 Cb 0.20 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 3gke n ARG 304 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gke h ARG 305 N 2.23 0.52 -0.75 5.56 2.43 -1.10 -1.73 114.38 121.54 3gke h ARG 305 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3gke h ARG 305 Cb 0.60 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 3gke h ARG 305 CO 0.00 0.34 0.49 0.00 -1.51 0.00 0.00 179.97 179.29 3gke h ALA 306 N 1.30 0.96 -0.21 2.80 0.00 -1.79 -0.59 119.26 121.72 3gke h ALA 306 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gke h ALA 306 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gke h ALA 306 CO -0.17 0.34 0.02 -0.92 0.00 0.00 0.00 179.25 178.52 3gke h TYR 307 N 0.99 0.38 -0.62 0.00 3.20 -1.77 -1.14 116.97 118.00 3gke h TYR 307 Ca 0.28 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.13 3gke h TYR 307 Cb -0.08 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 3gke h TYR 307 CO -0.03 0.51 0.37 0.28 -1.64 0.00 0.00 178.16 177.65 3gke h VAL 308 N 0.14 1.05 -0.27 1.81 2.07 -0.91 -0.99 116.25 119.14 3gke h VAL 308 Ca 0.06 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 3gke h VAL 308 Cb 0.34 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3gke h VAL 308 CO 0.01 0.13 -0.57 -0.33 0.02 0.00 0.00 177.57 176.83 3gke h GLU 309 N 0.72 0.86 0.00 1.57 5.08 -1.08 -0.76 114.58 120.96 3gke h GLU 309 Ca 0.26 -0.57 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 3gke h GLU 309 Cb 0.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3gke h GLU 309 CO -0.12 1.20 -0.21 0.00 -1.00 0.00 0.00 179.01 178.87 3gke h ALA 310 N 0.66 1.10 -0.39 3.43 0.00 -0.71 -2.76 119.26 120.59 3gke h ALA 310 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gke h ALA 310 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gke h ALA 310 CO 0.13 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.73 3gke n ASN 311 N -3.49 3.07 -1.99 0.00 3.02 -0.42 -4.98 115.26 110.48 3gke n ASN 311 Ca -0.01 -1.93 -0.17 0.00 -0.03 0.00 0.00 54.58 52.44 3gke n ASN 311 Cb 0.38 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3gke n ASN 311 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gke n GLY 312 N 0.86 -0.33 3.72 7.41 0.00 -0.78 -4.96 105.19 111.11 3gke n GLY 312 Ca 0.14 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3gke n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gke s ILE 313 N -2.87 4.79 0.12 -0.61 1.01 -0.36 -5.04 121.20 118.24 3gke s ILE 313 Ca 0.03 1.81 0.09 0.00 0.00 0.00 0.00 60.65 62.58 3gke s ILE 313 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3gke s ILE 313 CO 0.03 0.27 -0.18 -0.13 0.00 0.00 0.00 174.94 174.93 3gke s ARG 314 N 0.46 1.77 0.49 2.79 0.52 -1.26 -4.78 118.95 118.94 3gke s ARG 314 Ca 0.44 -1.20 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 3gke s ARG 314 Cb -0.21 -2.10 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 3gke s ARG 314 CO 0.25 0.48 1.18 -1.25 0.02 0.00 0.00 175.30 175.97 3gke s PRO 315 N -2.18 3.58 -0.25 3.54 0.04 -1.26 -5.02 135.00 133.45 3gke s PRO 315 Ca 0.18 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 3gke s PRO 315 Cb -0.10 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3gke s PRO 315 CO 0.10 -0.70 0.15 0.00 0.04 0.00 0.00 177.00 176.59 3gke s ALA 316 N -1.57 3.50 0.24 8.56 0.00 -1.26 -5.08 121.76 126.15 3gke s ALA 316 Ca 0.67 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 3gke s ALA 316 Cb -0.29 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 3gke s ALA 316 CO 0.34 -0.35 0.57 -1.64 0.00 0.00 0.00 175.76 174.69 3gke s MET 317 N 1.36 3.83 0.46 0.00 -1.94 -1.26 -5.08 119.30 116.67 3gke s MET 317 Ca 0.07 0.33 0.04 0.00 -1.71 0.00 0.00 55.69 54.42 3gke s MET 317 Cb -0.15 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 3gke s MET 317 CO 0.07 0.30 0.01 -0.51 -0.01 0.00 0.00 175.02 174.88 3gke s LEU 318 N -2.84 2.61 0.38 -0.03 1.43 -1.26 -5.02 118.68 113.96 3gke s LEU 318 Ca 0.48 -1.49 0.28 0.00 -1.03 0.00 0.00 54.13 52.37 3gke s LEU 318 Cb -0.11 -0.84 1.26 0.00 0.03 0.00 0.00 46.19 46.53 3gke s LEU 318 CO 0.21 -0.64 1.84 0.77 0.23 0.00 0.00 176.35 178.75 3gke h SER 319 N 1.56 0.00 -0.04 2.29 4.64 -2.06 -1.91 113.55 118.02 3gke h SER 319 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gke h SER 319 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3gke h SER 319 CO 0.77 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 3gke n ASP 321 N 0.06 2.29 -0.03 0.00 8.00 -0.72 -4.62 116.55 121.52 3gke n ASP 321 Ca 0.19 -1.70 -0.09 0.00 0.71 0.00 0.00 54.79 53.90 3gke n ASP 321 Cb 0.32 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3gke n ASP 321 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gke h GLU 322 N 3.45 0.05 -0.45 -1.24 4.81 -1.80 -0.11 114.58 119.28 3gke h GLU 322 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3gke h GLU 322 Cb 0.79 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3gke h GLU 322 CO 0.00 0.03 0.01 0.00 -0.73 0.00 0.00 179.01 178.32 3gke h ALA 323 N 1.16 0.61 -0.67 2.92 0.00 -1.85 -0.90 119.26 120.54 3gke h ALA 323 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gke h ALA 323 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gke h ALA 323 CO -0.16 0.39 0.40 0.00 0.00 0.00 0.00 179.25 179.88 3gke h ALA 324 N 0.92 0.86 -0.39 0.00 0.00 -1.56 -1.14 119.26 117.94 3gke h ALA 324 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gke h ALA 324 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gke h ALA 324 CO 0.02 0.34 0.05 0.28 0.00 0.00 0.00 179.25 179.94 3gke h VAL 325 N 0.91 1.25 -0.61 0.00 2.07 -0.76 -0.09 116.25 119.02 3gke h VAL 325 Ca 0.24 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3gke h VAL 325 Cb -0.01 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3gke h VAL 325 CO -0.04 0.30 0.36 0.03 0.02 0.00 0.00 177.57 178.24 3gke h ARG 326 N 0.50 0.83 -0.22 1.57 3.08 -0.89 -0.56 114.38 118.69 3gke h ARG 326 Ca 0.12 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gke h ARG 326 Cb 0.39 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3gke h ARG 326 CO 0.01 0.61 0.13 0.28 -1.07 0.00 0.00 179.97 179.93 3gke h VAL 327 N 0.82 1.09 -0.74 2.04 2.07 -1.09 -1.91 116.25 118.53 3gke h VAL 327 Ca 0.22 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3gke h VAL 327 Cb -0.00 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3gke h VAL 327 CO -0.04 0.08 0.42 -1.28 0.02 0.00 0.00 177.57 176.78 3gke h SER 328 N 0.27 0.63 0.04 0.57 0.87 -0.67 -0.07 113.55 115.19 3gke h SER 328 Ca 0.08 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 3gke h SER 328 Cb 0.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3gke h SER 328 CO -0.01 0.40 -0.32 0.03 -0.53 0.00 0.00 176.83 176.39 3gke h ARG 329 N 0.77 0.41 -0.41 2.24 3.08 -0.96 -1.27 114.38 118.23 3gke h ARG 329 Ca 0.33 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 3gke h ARG 329 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3gke h ARG 329 CO -0.19 0.69 -0.09 0.93 -1.07 0.00 0.00 179.97 180.23 3gke h GLU 330 N 0.35 0.78 -0.39 0.04 4.39 -0.49 -0.73 114.58 118.54 3gke h GLU 330 Ca 0.04 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3gke h GLU 330 Cb 0.74 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3gke h GLU 330 CO 0.06 0.91 0.21 0.82 -1.16 0.00 0.00 179.01 179.84 3gke h ILE 331 N 0.60 1.15 -0.68 3.13 2.04 -0.80 -1.24 117.51 121.71 3gke h ILE 331 Ca 0.10 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3gke h ILE 331 Cb 0.62 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3gke h ILE 331 CO 0.04 0.16 0.40 -0.08 0.00 0.00 0.00 178.15 178.67 3gke h GLU 332 N 0.50 0.74 -0.35 2.37 4.81 -1.13 0.64 114.58 122.16 3gke h GLU 332 Ca 0.14 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3gke h GLU 332 Cb 0.07 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3gke h GLU 332 CO -0.02 0.49 0.20 0.87 -0.73 0.00 0.00 179.01 179.82 3gke h LYS 333 N 0.77 0.39 -0.88 1.92 1.57 -0.86 -1.05 116.57 118.43 3gke h LYS 333 Ca 0.29 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3gke h LYS 333 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3gke h LYS 333 CO -0.15 0.26 0.58 -0.07 -0.57 0.00 0.00 179.45 179.50 3gke h LEU 334 N 0.40 1.01 -0.25 2.94 3.38 -0.68 -0.54 115.31 121.57 3gke h LEU 334 Ca 0.14 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3gke h LEU 334 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3gke h LEU 334 CO -0.07 0.74 0.11 -0.33 0.09 0.00 0.00 178.44 178.98 3gke h GLU 335 N 1.19 0.23 -0.35 1.13 5.08 -0.43 -1.49 114.58 119.95 3gke h GLU 335 Ca 0.32 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 3gke h GLU 335 Cb -0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3gke h GLU 335 CO -0.07 0.15 -0.37 1.96 -1.00 0.00 0.00 179.01 179.69 3gke h GLN 336 N 0.24 0.81 -0.90 2.33 4.20 -0.92 -1.35 115.11 119.52 3gke h GLN 336 Ca 0.11 -0.41 0.04 0.00 0.06 0.00 0.00 58.65 58.46 3gke h GLN 336 Cb 0.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3gke h GLN 336 CO -0.09 1.04 0.57 -0.07 -0.67 0.00 0.00 178.83 179.61 3gke h LEU 337 N 0.67 0.94 -0.49 1.46 4.07 -0.97 -2.69 115.31 118.29 3gke h LEU 337 Ca 0.06 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.86 3gke h LEU 337 Cb 0.92 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 3gke h LEU 337 CO 0.08 0.63 -0.74 -0.08 -1.08 0.00 0.00 178.44 177.26 3gke h GLU 338 N 1.09 0.15 0.00 1.13 4.81 -0.93 -2.86 114.58 117.98 3gke h GLU 338 Ca 0.37 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3gke h GLU 338 Cb 0.06 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3gke h GLU 338 CO -0.14 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 178.96 3gke n ALA 339 N -2.45 1.67 0.27 2.92 0.00 -0.54 -1.48 120.51 120.91 3gke n ALA 339 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gke n ALA 339 Cb 0.71 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.99 3gke n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gke h ALA 340 N 2.37 0.84 -0.02 0.00 0.00 -1.33 -3.51 119.26 117.61 3gke h ALA 340 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gke h ALA 340 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gke h ALA 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79