#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gke n LYS 9 N 0.00 1.11 -3.64 4.33 3.00 -1.26 -4.59 118.16 117.11 1gke n LYS 9 Ca 0.00 -0.39 -0.11 0.00 -0.00 0.00 0.00 58.31 57.81 1gke n LYS 9 Cb 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 35.03 33.39 1gke n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gke h PRO 11 N 8.22 0.89 -3.81 0.00 0.11 -1.82 -3.44 132.00 132.15 1gke h PRO 11 Ca -0.15 -0.34 -0.45 0.00 0.11 0.00 0.00 66.00 65.16 1gke h PRO 11 Cb 1.11 -0.05 -0.38 0.00 0.11 0.00 0.00 31.00 31.80 1gke h PRO 11 CO 0.13 0.99 -0.77 -1.17 -0.21 0.00 0.00 178.00 176.97 1gke s LEU 12 N -9.03 0.72 0.14 2.35 2.96 -1.26 0.89 118.68 115.45 1gke s LEU 12 Ca -0.10 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1gke s LEU 12 Cb 0.13 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1gke s LEU 12 CO 0.85 -0.18 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.52 1gke s MET 13 N 1.89 1.10 -0.05 1.98 -1.94 -0.82 -4.54 119.30 116.92 1gke s MET 13 Ca 0.05 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.71 1gke s MET 13 Cb -0.12 -0.97 0.02 0.00 2.01 0.00 0.00 34.83 35.77 1gke s MET 13 CO -0.06 0.18 -0.04 0.08 -0.01 0.00 0.00 175.02 175.18 1gke s VAL 14 N -2.34 0.50 -0.24 -6.03 1.01 -1.16 -1.76 120.40 110.38 1gke s VAL 14 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1gke s VAL 14 Cb -0.04 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.85 1gke s VAL 14 CO 0.04 0.23 -0.10 -0.75 0.00 0.00 0.00 175.10 174.52 1gke s LYS 15 N 1.09 2.08 -0.06 2.72 2.20 -0.94 -1.63 119.74 125.20 1gke s LYS 15 Ca -0.08 -1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 54.32 1gke s LYS 15 Cb -0.14 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1gke s LYS 15 CO -0.01 -0.55 0.10 0.08 -0.36 0.00 0.00 175.35 174.62 1gke s VAL 16 N 1.22 5.04 0.17 4.02 1.01 0.06 -2.15 120.40 129.77 1gke s VAL 16 Ca -0.07 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1gke s VAL 16 Cb -0.19 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1gke s VAL 16 CO -0.06 0.49 -0.17 -0.76 0.00 0.00 0.00 175.10 174.60 1gke s LEU 17 N -1.37 2.47 -0.32 3.92 1.43 -0.15 -2.05 118.68 122.61 1gke s LEU 17 Ca 0.19 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1gke s LEU 17 Cb -0.12 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1gke s LEU 17 CO 0.09 -0.09 0.03 -0.62 0.23 0.00 0.00 176.35 176.00 1gke s ASP 18 N -2.85 4.92 0.45 2.29 -1.08 -0.93 -1.11 116.67 118.36 1gke s ASP 18 Ca 0.17 -1.48 0.22 0.00 -0.52 0.00 0.00 52.55 50.95 1gke s ASP 18 Cb -0.04 -1.72 1.07 0.00 -1.46 0.00 0.00 42.92 40.77 1gke s ASP 18 CO 0.06 -0.32 1.92 0.00 0.52 0.00 0.00 175.17 177.35 1gke h ALA 19 N 7.97 1.20 0.30 3.66 0.00 -1.46 -1.59 119.26 129.33 1gke h ALA 19 Ca -0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1gke h ALA 19 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1gke h ALA 19 CO 0.56 0.29 -0.15 0.28 0.00 0.00 0.00 179.25 180.23 1gke h VAL 20 N 0.00 0.50 0.00 0.00 2.07 -1.95 -3.36 116.25 113.51 1gke h VAL 20 Ca -0.00 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1gke h VAL 20 Cb 0.58 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1gke h VAL 20 CO 0.03 0.12 -0.32 -0.09 0.02 0.00 0.00 177.57 177.33 1gke h ARG 21 N -0.95 0.00 -0.11 1.57 2.43 -1.95 -3.47 114.38 111.90 1gke h ARG 21 Ca -0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1gke h ARG 21 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1gke h ARG 21 CO 0.07 0.32 -0.04 0.41 -1.51 0.00 0.00 179.97 179.21 1gke n GLY 22 N 0.46 0.57 3.17 2.80 0.00 -0.60 -5.02 105.19 106.57 1gke n GLY 22 Ca 0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1gke n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gke s SER 23 N -2.90 0.99 0.62 1.61 1.04 -1.24 -5.03 113.70 108.80 1gke s SER 23 Ca 0.00 -1.07 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 1gke s SER 23 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1gke s SER 23 CO 0.00 -0.54 1.26 -2.16 0.98 0.00 0.00 173.24 172.78 1gke s PRO 24 N -3.89 2.75 -0.68 4.02 0.04 -1.26 -2.19 135.00 133.80 1gke s PRO 24 Ca 0.15 1.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1gke s PRO 24 Cb 0.06 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1gke s PRO 24 CO -0.03 -1.41 1.34 0.00 0.04 0.00 0.00 177.00 176.93 1gke s ALA 25 N -1.48 2.75 0.47 8.56 0.00 -0.87 -4.58 121.76 126.60 1gke s ALA 25 Ca 0.80 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1gke s ALA 25 Cb -0.34 -4.20 -0.08 0.00 0.00 0.00 0.00 23.12 18.49 1gke s ALA 25 CO 0.37 -3.19 0.92 0.08 0.00 0.00 0.00 175.76 173.94 1gke s VAL 26 N 5.95 4.56 -1.34 0.00 1.01 -1.26 -4.35 120.40 124.97 1gke s VAL 26 Ca 0.42 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 1gke s VAL 26 Cb -0.09 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1gke s VAL 26 CO 0.19 -0.55 0.46 0.47 0.00 0.00 0.00 175.10 175.66 1gke n ASP 27 N -1.26 -2.10 -4.36 3.32 9.92 -0.64 -4.91 116.55 116.53 1gke n ASP 27 Ca 0.06 -1.18 -0.39 0.00 -0.53 0.00 0.00 54.79 52.74 1gke n ASP 27 Cb 0.54 -2.24 -0.12 0.00 -0.64 0.00 0.00 41.12 38.66 1gke n ASP 27 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1gke s VAL 28 N -3.85 4.29 -0.21 2.53 1.01 -1.26 -4.77 120.40 118.13 1gke s VAL 28 Ca 0.25 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1gke s VAL 28 Cb -0.12 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1gke s VAL 28 CO 0.94 -0.10 1.68 0.00 0.00 0.00 0.00 175.10 177.62 1gke s ALA 29 N 1.52 3.24 0.01 5.51 0.00 -1.26 -0.89 121.76 129.88 1gke s ALA 29 Ca 0.02 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 1gke s ALA 29 Cb -0.18 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 1gke s ALA 29 CO 0.05 -2.02 0.25 0.08 0.00 0.00 0.00 175.76 174.12 1gke s VAL 30 N 5.43 5.34 -0.27 0.00 1.01 0.26 -2.26 120.40 129.91 1gke s VAL 30 Ca 0.74 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 1gke s VAL 30 Cb -0.26 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1gke s VAL 30 CO 0.30 0.33 0.11 -0.75 0.00 0.00 0.00 175.10 175.09 1gke s LYS 31 N -1.88 0.34 -0.15 2.72 2.47 -0.22 -1.46 119.74 121.54 1gke s LYS 31 Ca 0.28 -0.60 -0.19 0.00 -1.56 0.00 0.00 55.97 53.91 1gke s LYS 31 Cb -0.13 -1.51 -0.04 0.00 -1.46 0.00 0.00 37.83 34.69 1gke s LYS 31 CO 0.18 -0.94 0.51 0.08 0.16 0.00 0.00 175.35 175.33 1gke s VAL 32 N 1.97 5.14 0.26 4.02 1.01 0.05 -2.66 120.40 130.19 1gke s VAL 32 Ca 0.08 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.13 1gke s VAL 32 Cb -0.16 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1gke s VAL 32 CO -0.29 0.25 -0.02 -0.36 0.00 0.00 0.00 175.10 174.69 1gke s PHE 33 N 1.09 2.67 -0.07 5.22 0.08 0.60 0.50 117.98 128.08 1gke s PHE 33 Ca 0.26 -0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.09 1gke s PHE 33 Cb -0.15 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1gke s PHE 33 CO 0.10 0.62 -0.06 0.21 -0.10 0.00 0.00 175.22 175.99 1gke s LYS 34 N -3.62 1.12 -0.05 0.44 2.20 0.53 -1.90 119.74 118.46 1gke s LYS 34 Ca 0.31 -0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 1gke s LYS 34 Cb -0.06 -1.12 -0.05 0.00 -1.51 0.00 0.00 37.83 35.09 1gke s LYS 34 CO 0.19 -0.12 1.47 0.21 -0.36 0.00 0.00 175.35 176.75 1gke s LYS 35 N 1.15 4.23 0.77 4.03 2.20 -1.20 -0.73 119.74 130.19 1gke s LYS 35 Ca -0.07 2.00 -0.13 0.00 -0.36 0.00 0.00 55.97 57.41 1gke s LYS 35 Cb -0.14 -3.76 0.19 0.00 -1.51 0.00 0.00 37.83 32.61 1gke s LYS 35 CO -0.01 -0.70 0.84 0.25 -0.36 0.00 0.00 175.35 175.37 1gke n THR 36 N 5.09 0.00 0.16 3.43 -2.24 0.77 -4.82 114.28 116.66 1gke n THR 36 Ca 0.15 -0.51 0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1gke n THR 36 Cb 0.43 -1.41 0.21 0.00 -2.10 0.00 0.00 70.33 67.46 1gke n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gke h ALA 37 N -2.19 0.86 0.00 6.98 0.00 -1.95 -2.90 119.26 120.07 1gke h ALA 37 Ca -0.29 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1gke h ALA 37 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1gke h ALA 37 CO 0.20 0.61 0.00 0.38 0.00 0.00 0.00 179.25 180.44 1gke h ASP 38 N 0.00 0.00 0.00 0.00 3.04 -2.02 -3.46 116.42 113.98 1gke h ASP 38 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1gke h ASP 38 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1gke h ASP 38 CO 0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 1gke n GLY 39 N 0.12 1.53 3.94 7.15 0.00 -1.09 -5.11 105.19 111.73 1gke n GLY 39 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1gke n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gke n SER 40 N 0.00 0.68 -4.16 1.61 3.41 -1.26 -4.76 113.62 109.14 1gke n SER 40 Ca 0.00 -1.79 -0.39 0.00 -0.26 0.00 0.00 58.87 56.43 1gke n SER 40 Cb 0.00 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.02 1gke n SER 40 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1gke s TRP 41 N -3.60 3.69 0.07 7.33 0.52 -1.26 -0.16 118.94 125.52 1gke s TRP 41 Ca 0.73 -2.69 -0.31 0.00 0.02 0.00 0.00 56.10 53.85 1gke s TRP 41 Cb -0.03 -3.37 -0.06 0.00 -1.15 0.00 0.00 33.47 28.86 1gke s TRP 41 CO 0.50 -0.84 1.21 -2.00 0.02 0.00 0.00 176.95 175.84 1gke s GLU 42 N -0.54 4.43 0.11 4.98 2.12 0.09 -4.67 118.70 125.21 1gke s GLU 42 Ca 0.22 1.80 -0.35 0.00 0.36 0.00 0.00 54.97 57.00 1gke s GLU 42 Cb -0.13 -3.33 -0.18 0.00 0.26 0.00 0.00 34.13 30.74 1gke s GLU 42 CO -0.08 -0.26 0.98 -2.30 -0.54 0.00 0.00 175.26 173.06 1gke n PRO 43 N 3.86 0.42 0.02 4.30 -0.02 -1.26 -0.35 135.00 141.97 1gke n PRO 43 Ca 0.09 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.70 1gke n PRO 43 Cb 0.46 -1.54 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 1gke n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1gke n PHE 44 N 1.20 0.00 -4.14 6.00 7.35 0.18 -4.66 117.46 123.39 1gke n PHE 44 Ca 0.18 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.76 1gke n PHE 44 Cb 0.18 -0.10 -0.08 0.00 0.35 0.00 0.00 39.48 39.82 1gke n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gke s ALA 45 N -2.16 0.72 -0.30 3.13 0.00 -0.27 -4.99 121.76 117.89 1gke s ALA 45 Ca -0.05 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 1gke s ALA 45 Cb 0.01 1.29 0.18 0.00 0.00 0.00 0.00 23.12 24.60 1gke s ALA 45 CO 0.08 -0.67 1.18 0.45 0.00 0.00 0.00 175.76 176.79 1gke s SER 46 N -3.11 -0.25 0.00 0.00 0.15 -1.26 -0.77 113.70 108.45 1gke s SER 46 Ca 0.34 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1gke s SER 46 Cb 0.05 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1gke s SER 46 CO 0.11 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1gke n GLY 47 N 4.89 3.62 3.15 9.45 0.00 -0.54 -5.00 105.19 120.76 1gke n GLY 47 Ca -0.07 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1gke n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gke s LYS 48 N 0.20 0.41 0.13 1.61 -2.85 -1.26 0.92 119.74 118.91 1gke s LYS 48 Ca 0.00 0.07 -0.35 0.00 -1.00 0.00 0.00 55.97 54.69 1gke s LYS 48 Cb 0.00 0.19 -0.16 0.00 -2.06 0.00 0.00 37.83 35.80 1gke s LYS 48 CO 0.00 -0.08 1.38 0.25 0.10 0.00 0.00 175.35 177.00 1gke n THR 49 N 2.27 0.21 -1.70 3.79 -2.24 -0.07 -4.77 114.28 111.77 1gke n THR 49 Ca -0.17 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1gke n THR 49 Cb 0.57 -1.06 0.07 0.00 -2.10 0.00 0.00 70.33 67.81 1gke n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gke s ALA 50 N 0.45 2.55 0.21 6.98 0.00 -0.88 -1.62 121.76 129.46 1gke s ALA 50 Ca 0.80 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 1gke s ALA 50 Cb -0.84 -3.07 0.33 0.00 0.00 0.00 0.00 23.12 19.54 1gke s ALA 50 CO 0.45 -1.44 1.23 -1.91 0.00 0.00 0.00 175.76 174.09 1gke n GLU 51 N -3.23 -0.09 0.00 0.00 4.07 -1.26 0.88 120.64 121.01 1gke n GLU 51 Ca 0.07 1.23 0.00 0.00 -0.06 0.00 0.00 57.16 58.40 1gke n GLU 51 Cb 0.57 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1gke n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1gke n SER 52 N -5.27 0.00 0.00 4.31 3.41 -1.26 -4.56 113.62 110.25 1gke n SER 52 Ca 0.12 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1gke n SER 52 Cb 0.38 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1gke n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gke n GLY 53 N -1.35 0.74 3.80 5.00 0.00 0.25 -4.80 105.19 108.83 1gke n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1gke n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gke s GLU 54 N -0.23 2.22 -0.18 1.61 -1.05 -1.24 -0.76 118.70 119.07 1gke s GLU 54 Ca 0.00 -2.36 -0.05 0.00 -0.15 0.00 0.00 54.97 52.41 1gke s GLU 54 Cb 0.00 -1.63 0.09 0.00 -0.44 0.00 0.00 34.13 32.15 1gke s GLU 54 CO 0.00 -0.44 0.34 -0.51 0.95 0.00 0.00 175.26 175.60 1gke s LEU 55 N -3.97 -0.48 0.00 1.83 1.43 -0.65 -2.08 118.68 114.76 1gke s LEU 55 Ca 0.08 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1gke s LEU 55 Cb 0.00 1.00 0.00 0.00 0.03 0.00 0.00 46.19 47.22 1gke s LEU 55 CO 0.05 -0.25 0.00 1.41 0.23 0.00 0.00 176.35 177.79 1gke n HIS 56 N 5.37 0.00 0.00 0.29 8.25 -1.26 -2.96 115.22 124.90 1gke n HIS 56 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1gke n HIS 56 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1gke n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gke n GLY 57 N 1.98 0.00 0.29 -1.41 0.00 -1.26 -4.02 105.19 100.77 1gke n GLY 57 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1gke n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gke h LEU 58 N 0.77 0.48 -7.93 0.99 3.38 -1.83 -3.45 115.31 107.72 1gke h LEU 58 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1gke h LEU 58 Cb 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1gke h LEU 58 CO 0.00 0.22 -0.03 0.28 0.09 0.00 0.00 178.44 179.00 1gke s THR 59 N -6.00 0.02 0.26 0.22 -1.32 -1.26 -4.74 115.64 102.82 1gke s THR 59 Ca -0.12 -1.06 -0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1gke s THR 59 Cb 0.21 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.31 1gke s THR 59 CO 0.77 -0.09 0.45 0.42 -2.21 0.00 0.00 174.62 173.97 1gke s THR 60 N -3.93 5.16 -1.94 5.08 -4.23 -1.26 -4.64 115.64 109.88 1gke s THR 60 Ca 0.14 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1gke s THR 60 Cb -0.01 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1gke s THR 60 CO 0.02 -0.33 0.28 0.47 -0.54 0.00 0.00 174.62 174.53 1gke n ASP 61 N -1.12 0.00 -0.01 3.99 8.00 -1.26 -1.65 116.55 124.50 1gke n ASP 61 Ca -0.05 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.44 1gke n ASP 61 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1gke n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1gke n GLU 62 N -0.78 3.25 0.13 -1.24 1.02 -1.26 -4.71 120.64 117.05 1gke n GLU 62 Ca 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1gke n GLU 62 Cb 0.00 -1.05 0.08 0.00 -0.02 0.00 0.00 31.44 30.46 1gke n GLU 62 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1gke h LYS 63 N 0.00 0.00 -3.76 3.49 1.57 -1.71 -3.38 116.57 112.78 1gke h LYS 63 Ca -0.04 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.13 1gke h LYS 63 Cb 0.99 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.31 1gke h LYS 63 CO 0.00 0.65 2.96 0.34 -0.57 0.00 0.00 179.45 182.84 1gke n PHE 64 N -3.46 2.34 -1.22 -1.35 7.35 -1.16 -4.95 117.46 115.01 1gke n PHE 64 Ca 0.00 -2.46 -0.30 0.00 -0.76 0.00 0.00 57.45 53.93 1gke n PHE 64 Cb 0.72 -2.12 0.14 0.00 0.35 0.00 0.00 39.48 38.57 1gke n PHE 64 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1gke s THR 65 N 3.48 2.66 0.14 -2.13 -4.23 -1.26 -4.93 115.64 109.38 1gke s THR 65 Ca 0.53 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.94 1gke s THR 65 Cb 0.14 -2.71 -0.11 0.00 1.34 0.00 0.00 72.50 71.17 1gke s THR 65 CO -0.02 -0.28 1.76 -0.70 -0.54 0.00 0.00 174.62 174.84 1gke s GLU 66 N -4.94 4.15 0.00 3.99 2.12 -1.26 -4.83 118.70 117.92 1gke s GLU 66 Ca 0.63 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.52 1gke s GLU 66 Cb -0.18 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1gke s GLU 66 CO 0.57 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1gke n GLY 67 N 4.10 0.87 3.85 -1.50 0.00 -1.24 -4.97 105.19 106.31 1gke n GLY 67 Ca 0.17 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 1gke n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gke s VAL 68 N -2.00 4.93 0.28 1.61 0.11 -1.26 0.39 120.40 124.46 1gke s VAL 68 Ca 0.00 0.73 0.05 0.00 -2.93 0.00 0.00 61.98 59.83 1gke s VAL 68 Cb 0.00 -3.71 -0.06 0.00 -1.53 0.00 0.00 36.38 31.08 1gke s VAL 68 CO 0.00 0.29 0.00 -0.31 -3.33 0.00 0.00 175.10 171.75 1gke s TYR 69 N -1.41 1.82 -0.11 1.54 1.51 0.13 -3.23 117.35 117.60 1gke s TYR 69 Ca 0.35 -0.86 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1gke s TYR 69 Cb -0.15 -1.10 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1gke s TYR 69 CO 0.18 0.08 0.04 0.50 -1.11 0.00 0.00 175.55 175.25 1gke s ARG 70 N -3.83 0.30 -0.13 -0.62 3.52 -0.80 -1.26 118.95 116.13 1gke s ARG 70 Ca 0.31 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.90 1gke s ARG 70 Cb 0.06 -1.26 -0.04 0.00 -1.56 0.00 0.00 34.95 32.15 1gke s ARG 70 CO 0.12 -0.46 0.06 0.08 -0.81 0.00 0.00 175.30 174.29 1gke s VAL 71 N 2.05 4.80 -0.05 7.11 1.01 -0.40 -0.29 120.40 134.63 1gke s VAL 71 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1gke s VAL 71 Cb -0.14 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1gke s VAL 71 CO -0.06 0.56 0.09 -0.70 0.00 0.00 0.00 175.10 174.99 1gke s GLU 72 N -0.51 -0.02 -0.12 2.72 2.12 -1.09 -0.91 118.70 120.89 1gke s GLU 72 Ca 0.10 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 1gke s GLU 72 Cb -0.12 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 33.89 1gke s GLU 72 CO 0.02 -0.26 0.01 -0.51 -0.54 0.00 0.00 175.26 173.98 1gke s LEU 73 N 1.78 3.59 -1.27 2.70 1.02 0.76 -1.06 118.68 126.20 1gke s LEU 73 Ca -0.01 0.09 -0.14 0.00 0.02 0.00 0.00 54.13 54.09 1gke s LEU 73 Cb -0.12 -1.85 0.14 0.00 0.02 0.00 0.00 46.19 44.38 1gke s LEU 73 CO -0.04 0.30 1.68 -0.67 0.02 0.00 0.00 176.35 177.64 1gke n ASP 74 N 2.69 5.00 -0.06 2.29 2.03 -0.96 -1.35 116.55 126.19 1gke n ASP 74 Ca -0.18 -2.98 -0.08 0.00 0.52 0.00 0.00 54.79 52.06 1gke n ASP 74 Cb 0.53 -1.60 0.08 0.00 -0.72 0.00 0.00 41.12 39.42 1gke n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1gke h THR 75 N 4.56 1.28 -0.61 5.18 1.35 -1.89 -2.98 112.91 119.80 1gke h THR 75 Ca 0.39 -1.45 0.12 0.00 -0.55 0.00 0.00 66.41 64.92 1gke h THR 75 Cb 0.79 1.37 -0.12 0.00 -1.73 0.00 0.00 68.15 68.46 1gke h THR 75 CO 1.44 0.47 -0.16 0.50 -0.25 0.00 0.00 175.52 177.53 1gke h LYS 76 N 0.60 -0.01 0.00 4.72 3.11 -1.76 0.25 116.57 123.49 1gke h LYS 76 Ca 0.07 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 1gke h LYS 76 Cb 0.83 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1gke h LYS 76 CO 0.07 -0.00 -0.22 0.77 -2.81 0.00 0.00 179.45 177.26 1gke h SER 77 N -0.01 0.00 0.62 4.20 0.02 -1.88 -2.07 113.55 114.43 1gke h SER 77 Ca 0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1gke h SER 77 Cb 0.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1gke h SER 77 CO -0.63 0.22 -0.30 0.22 -1.14 0.00 0.00 176.83 175.20 1gke h TYR 78 N 0.00 -0.77 -0.99 3.45 3.20 -0.43 -2.31 116.97 119.11 1gke h TYR 78 Ca -0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1gke h TYR 78 Cb 1.14 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.61 1gke h TYR 78 CO 0.00 -0.48 0.65 -1.49 -1.64 0.00 0.00 178.16 175.20 1gke h TRP 79 N -1.00 1.22 0.00 -3.82 4.06 -1.18 -2.43 115.95 112.80 1gke h TRP 79 Ca -0.08 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1gke h TRP 79 Cb 0.64 -0.41 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1gke h TRP 79 CO 0.04 0.72 -0.05 0.87 -3.56 0.00 0.00 178.44 176.47 1gke h LYS 80 N 1.27 0.00 -0.04 0.49 1.79 -1.28 -1.61 116.57 117.21 1gke h LYS 80 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1gke h LYS 80 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1gke h LYS 80 CO -0.11 0.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.30 1gke n ALA 81 N -2.22 2.60 0.17 3.86 0.00 -0.88 -2.77 120.51 121.27 1gke n ALA 81 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1gke n ALA 81 Cb 0.16 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.35 1gke n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gke n LEU 82 N -0.22 0.99 0.00 0.00 4.77 -0.67 -5.01 117.00 116.87 1gke n LEU 82 Ca 0.19 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1gke n LEU 82 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1gke n LEU 82 CO 0.16 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1gke n GLY 83 N 0.48 0.69 3.59 -0.72 0.00 -1.07 -5.06 105.19 103.09 1gke n GLY 83 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1gke n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gke s ILE 84 N -2.51 5.04 -0.68 -0.61 1.01 -0.84 -4.98 121.20 117.64 1gke s ILE 84 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1gke s ILE 84 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.14 1gke s ILE 84 CO 0.00 0.33 1.30 -0.94 0.00 0.00 0.00 174.94 175.63 1gke s SER 85 N 1.29 6.18 1.22 3.58 1.04 -1.26 -3.01 113.70 122.74 1gke s SER 85 Ca 0.06 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.08 1gke s SER 85 Cb -0.14 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.72 1gke s SER 85 CO 0.06 -1.77 1.13 -2.16 0.98 0.00 0.00 173.24 171.47 1gke s PRO 86 N 5.60 -1.41 -0.22 4.02 0.04 -1.26 -4.95 135.00 136.82 1gke s PRO 86 Ca 0.40 -0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.06 1gke s PRO 86 Cb -0.08 -1.59 -0.17 0.00 0.04 0.00 0.00 34.50 32.70 1gke s PRO 86 CO 0.19 -3.81 0.08 0.34 0.04 0.00 0.00 177.00 173.84 1gke n PHE 87 N -4.81 0.82 -2.48 0.56 7.35 0.15 -4.99 117.46 114.07 1gke n PHE 87 Ca 0.15 0.36 -0.37 0.00 -0.76 0.00 0.00 57.45 56.82 1gke n PHE 87 Cb 0.60 -1.06 -0.04 0.00 0.35 0.00 0.00 39.48 39.33 1gke n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1gke s HIS 88 N -2.39 3.26 0.19 -5.13 3.76 -1.26 -4.97 115.29 108.75 1gke s HIS 88 Ca -0.30 1.63 0.04 0.00 -0.15 0.00 0.00 55.06 56.28 1gke s HIS 88 Cb 0.07 -3.20 0.08 0.00 1.11 0.00 0.00 32.58 30.64 1gke s HIS 88 CO 0.55 -0.77 1.44 1.49 -0.85 0.00 0.00 174.74 176.61 1gke h GLU 89 N 2.68 0.19 0.00 1.40 4.57 -1.99 -3.39 114.58 118.05 1gke h GLU 89 Ca -0.48 -0.18 0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1gke h GLU 89 Cb 1.22 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1gke h GLU 89 CO 0.63 0.88 0.18 2.48 -1.18 0.00 0.00 179.01 182.00 1gke n TYR 90 N -3.72 -0.52 -3.82 0.92 0.18 -1.26 -4.09 117.16 104.85 1gke n TYR 90 Ca -0.03 -0.25 -0.25 0.00 1.88 0.00 0.00 57.90 59.25 1gke n TYR 90 Cb 0.74 0.12 -0.17 0.00 -0.38 0.00 0.00 39.34 39.65 1gke n TYR 90 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1gke s ALA 91 N -1.25 1.00 -0.06 -3.48 0.00 -0.46 -4.87 121.76 112.64 1gke s ALA 91 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1gke s ALA 91 Cb -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1gke s ALA 91 CO 0.01 -0.55 -0.18 -2.00 0.00 0.00 0.00 175.76 173.03 1gke s GLU 92 N 1.85 2.65 -0.33 0.00 2.12 -1.26 -0.17 118.70 123.56 1gke s GLU 92 Ca 0.04 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 1gke s GLU 92 Cb -0.13 -2.33 0.12 0.00 0.26 0.00 0.00 34.13 32.04 1gke s GLU 92 CO -0.07 0.47 0.16 0.08 -0.54 0.00 0.00 175.26 175.36 1gke s VAL 93 N -0.35 0.30 -0.18 3.70 1.01 -0.08 -5.00 120.40 119.79 1gke s VAL 93 Ca 0.03 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1gke s VAL 93 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1gke s VAL 93 CO 0.02 -0.82 0.40 -0.69 0.00 0.00 0.00 175.10 174.02 1gke s VAL 94 N 1.53 5.21 0.05 2.92 1.01 -1.26 -1.27 120.40 128.58 1gke s VAL 94 Ca 0.13 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1gke s VAL 94 Cb -0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1gke s VAL 94 CO -0.19 0.29 -0.03 0.72 0.00 0.00 0.00 175.10 175.89 1gke s PHE 95 N 1.02 0.47 -0.19 5.22 -0.71 -0.39 -4.97 117.98 118.43 1gke s PHE 95 Ca 0.20 -0.97 -0.13 0.00 -1.04 0.00 0.00 56.93 55.00 1gke s PHE 95 Cb -0.14 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.27 1gke s PHE 95 CO 0.08 -0.35 0.26 0.99 -1.34 0.00 0.00 175.22 174.86 1gke s THR 96 N -3.49 5.32 -0.87 -4.49 2.01 -1.26 0.17 115.64 113.02 1gke s THR 96 Ca 0.03 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1gke s THR 96 Cb 0.05 -3.59 0.34 0.00 0.01 0.00 0.00 72.50 69.31 1gke s THR 96 CO -0.08 0.36 1.82 0.00 -0.69 0.00 0.00 174.62 176.03 1gke n ALA 97 N 3.87 6.13 -1.76 7.40 0.00 0.16 -4.93 120.51 131.40 1gke n ALA 97 Ca -0.13 -4.36 -0.19 0.00 0.00 0.00 0.00 53.44 48.77 1gke n ALA 97 Cb 0.52 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1gke n ALA 97 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gke s ASN 98 N -1.51 4.29 -0.85 0.00 3.84 -1.26 -3.62 114.94 115.82 1gke s ASN 98 Ca 0.46 -0.42 -0.22 0.00 0.21 0.00 0.00 52.86 52.90 1gke s ASN 98 Cb 0.33 -2.56 -0.19 0.00 -0.55 0.00 0.00 41.25 38.27 1gke s ASN 98 CO -0.27 -3.59 1.88 0.47 -2.79 0.00 0.00 177.10 172.79 1gke n ASP 99 N 17.09 0.65 0.00 -4.21 8.00 -1.26 -4.64 116.55 132.18 1gke n ASP 99 Ca 0.44 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1gke n ASP 99 Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1gke n ASP 99 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1gke n SER 100 N 16.75 0.00 -0.10 -2.24 2.88 -1.26 -4.91 113.62 124.74 1gke n SER 100 Ca 0.33 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 58.13 1gke n SER 100 Cb 0.47 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.64 1gke n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1gke h GLY 101 N 0.00 0.00 -6.06 0.46 0.00 -1.98 -3.39 103.07 92.09 1gke h GLY 101 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1gke h GLY 101 CO 0.00 0.00 -0.80 0.30 0.00 0.00 0.00 176.54 176.04 1gke s HIS 102 N -4.77 1.22 -0.16 5.60 3.76 -1.26 -4.72 115.29 114.96 1gke s HIS 102 Ca -0.04 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1gke s HIS 102 Cb 0.19 -0.95 -0.23 0.00 1.11 0.00 0.00 32.58 32.70 1gke s HIS 102 CO 0.66 -0.27 0.20 -2.13 -0.85 0.00 0.00 174.74 172.34 1gke n ARG 103 N 4.01 0.69 -3.47 1.40 3.00 -1.26 -4.67 116.66 116.36 1gke n ARG 103 Ca -0.22 0.18 -0.37 0.00 -0.00 0.00 0.00 57.85 57.43 1gke n ARG 103 Cb 0.51 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.28 1gke n ARG 103 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1gke s HIS 104 N -2.54 3.57 0.00 -0.14 3.76 -1.26 -4.75 115.29 113.94 1gke s HIS 104 Ca -0.20 0.82 0.06 0.00 -0.15 0.00 0.00 55.06 55.60 1gke s HIS 104 Cb 0.07 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1gke s HIS 104 CO 0.75 0.38 -0.20 0.71 -0.85 0.00 0.00 174.74 175.52 1gke s TYR 105 N -0.07 1.76 -0.22 1.40 1.51 0.26 -2.37 117.35 119.62 1gke s TYR 105 Ca 0.22 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1gke s TYR 105 Cb -0.15 -1.11 0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1gke s TYR 105 CO 0.09 0.00 0.03 0.99 -1.11 0.00 0.00 175.55 175.55 1gke s THR 106 N -0.56 0.77 -0.47 -0.71 2.01 0.15 -1.94 115.64 114.90 1gke s THR 106 Ca 0.07 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 1gke s THR 106 Cb -0.08 -1.26 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1gke s THR 106 CO -0.00 -0.25 0.59 -0.63 -0.69 0.00 0.00 174.62 173.64 1gke s ILE 107 N 1.74 4.90 0.31 1.82 1.01 -0.73 -1.40 121.20 128.86 1gke s ILE 107 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1gke s ILE 107 Cb -0.17 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1gke s ILE 107 CO -0.10 -0.65 0.45 0.00 0.00 0.00 0.00 174.94 174.64 1gke s ALA 108 N 2.59 4.09 -0.28 9.38 0.00 -0.39 -2.21 121.76 134.93 1gke s ALA 108 Ca 0.17 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1gke s ALA 108 Cb -0.17 -1.74 0.12 0.00 0.00 0.00 0.00 23.12 21.33 1gke s ALA 108 CO 0.15 0.03 0.88 0.00 0.00 0.00 0.00 175.76 176.82 1gke s ALA 109 N -2.15 -2.10 -0.25 0.00 0.00 -0.91 -2.40 121.76 113.95 1gke s ALA 109 Ca 0.42 2.23 -0.07 0.00 0.00 0.00 0.00 51.96 54.54 1gke s ALA 109 Cb -0.09 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1gke s ALA 109 CO 0.31 -0.34 0.06 -1.17 0.00 0.00 0.00 175.76 174.62 1gke s LEU 110 N 1.27 3.45 0.07 0.00 2.96 -0.67 -0.98 118.68 124.78 1gke s LEU 110 Ca -0.08 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1gke s LEU 110 Cb -0.04 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1gke s LEU 110 CO -0.15 -0.06 0.35 -0.76 -1.32 0.00 0.00 176.35 174.41 1gke s LEU 111 N 1.58 4.33 -0.06 -0.68 1.43 -0.26 -2.17 118.68 122.85 1gke s LEU 111 Ca 0.06 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 1gke s LEU 111 Cb -0.15 -2.98 0.05 0.00 0.03 0.00 0.00 46.19 43.14 1gke s LEU 111 CO 0.03 0.16 0.53 -0.44 0.23 0.00 0.00 176.35 176.86 1gke s SER 112 N -1.94 -0.48 0.45 2.29 0.01 -0.63 -1.25 113.70 112.15 1gke s SER 112 Ca 0.34 0.56 0.25 0.00 1.31 0.00 0.00 55.95 58.41 1gke s SER 112 Cb -0.13 0.55 1.28 0.00 0.21 0.00 0.00 66.02 67.93 1gke s SER 112 CO 0.19 -0.49 1.78 -0.65 0.41 0.00 0.00 173.24 174.49 1gke h PRO 113 N 3.67 0.23 0.00 12.44 0.11 -1.98 -2.74 132.00 143.73 1gke h PRO 113 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1gke h PRO 113 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1gke h PRO 113 CO 0.36 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 178.96 1gke n TYR 114 N -4.47 0.00 -3.64 0.65 4.01 -1.26 -0.67 117.16 111.78 1gke n TYR 114 Ca 0.25 -0.36 -0.14 0.00 -0.16 0.00 0.00 57.90 57.49 1gke n TYR 114 Cb 1.02 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.94 1gke n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1gke s SER 115 N -0.72 -0.66 0.03 7.72 0.15 -1.03 -4.94 113.70 114.24 1gke s SER 115 Ca 0.00 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1gke s SER 115 Cb 0.00 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 1gke s SER 115 CO 0.00 -0.29 -0.02 -0.72 1.20 0.00 0.00 173.24 173.42 1gke s TYR 116 N 0.09 0.32 -0.07 3.44 1.13 -1.26 -1.60 117.35 119.40 1gke s TYR 116 Ca -0.02 -0.67 -0.02 0.00 -1.41 0.00 0.00 57.07 54.95 1gke s TYR 116 Cb -0.04 -0.24 0.03 0.00 -1.10 0.00 0.00 41.96 40.61 1gke s TYR 116 CO 0.02 -0.26 0.03 -1.12 -2.51 0.00 0.00 175.55 171.72 1gke s SER 117 N -1.90 1.49 0.28 -0.18 0.01 -0.92 -4.97 113.70 107.50 1gke s SER 117 Ca -0.09 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1gke s SER 117 Cb -0.04 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1gke s SER 117 CO -0.04 -0.22 0.30 0.42 0.41 0.00 0.00 173.24 174.11 1gke s THR 118 N 2.05 4.40 -0.10 1.44 -4.23 -1.26 -1.66 115.64 116.28 1gke s THR 118 Ca 0.05 -1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.03 1gke s THR 118 Cb -0.12 -3.47 0.09 0.00 1.34 0.00 0.00 72.50 70.33 1gke s THR 118 CO -0.05 -0.28 0.77 0.28 -0.54 0.00 0.00 174.62 174.81 1gke s THR 119 N -2.14 0.00 0.09 3.99 -1.32 -1.01 -4.97 115.64 110.27 1gke s THR 119 Ca 0.37 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.94 1gke s THR 119 Cb -0.08 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1gke s THR 119 CO 0.27 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.45 1gke s ALA 120 N -1.00 2.47 -0.17 11.08 0.00 -1.26 -1.26 121.76 131.62 1gke s ALA 120 Ca -0.07 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1gke s ALA 120 Cb -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1gke s ALA 120 CO 0.07 0.56 0.01 0.08 0.00 0.00 0.00 175.76 176.48 1gke s VAL 121 N -0.98 0.65 -0.42 0.00 1.01 -0.49 -4.99 120.40 115.18 1gke s VAL 121 Ca 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1gke s VAL 121 Cb -0.10 -1.02 0.11 0.00 0.00 0.00 0.00 36.38 35.37 1gke s VAL 121 CO 0.06 -0.06 0.22 -0.69 0.00 0.00 0.00 175.10 174.63 1gke s VAL 122 N 1.82 3.33 0.00 2.92 1.01 -1.26 -0.67 120.40 127.55 1gke s VAL 122 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1gke s VAL 122 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1gke s VAL 122 CO -0.07 -0.70 0.00 -1.54 0.00 0.00 0.00 175.10 172.78 1gke n SER 123 N 4.54 0.00 -3.47 3.32 3.41 -1.00 -4.96 113.62 115.46 1gke n SER 123 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1gke n SER 123 Cb 0.41 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1gke n SER 123 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gke s ASN 124 N -1.00 -0.49 -0.82 4.04 4.22 -1.26 -4.06 114.94 115.56 1gke s ASN 124 Ca 0.00 -0.04 -0.09 0.00 -2.14 0.00 0.00 52.86 50.59 1gke s ASN 124 Cb 0.00 0.54 -0.08 0.00 1.28 0.00 0.00 41.25 42.99 1gke s ASN 124 CO 0.00 -0.88 2.00 -2.65 -2.04 0.00 0.00 177.10 173.53 1gke n PRO 125 N -0.34 1.82 0.00 3.55 -0.02 -1.26 -4.85 135.00 133.89 1gke n PRO 125 Ca -0.14 -1.50 0.00 0.00 -2.02 0.00 0.00 63.50 59.85 1gke n PRO 125 Cb 0.64 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1gke n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gke n GLN 126 N 4.95 0.00 0.00 -0.52 10.64 -1.26 -5.12 117.38 126.07 1gke n GLN 126 Ca 0.43 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.66 1gke n GLN 126 Cb 0.19 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.62 1gke n GLN 126 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52