#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gke s LYS 9 N 0.00 2.50 -0.10 1.43 -2.85 -1.26 -5.10 119.74 114.37 1gke s LYS 9 Ca 0.00 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.09 1gke s LYS 9 Cb 0.00 -2.38 -0.02 0.00 -2.06 0.00 0.00 37.83 33.37 1gke s LYS 9 CO 0.00 -0.28 1.16 0.00 0.10 0.00 0.00 175.35 176.33 1gke h PRO 11 N 7.51 0.00 -2.43 0.00 0.13 -1.89 -3.41 132.00 131.92 1gke h PRO 11 Ca -0.31 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1gke h PRO 11 Cb 1.14 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 1gke h PRO 11 CO 0.90 0.00 -0.17 -1.17 -0.23 0.00 0.00 178.00 177.33 1gke s LEU 12 N -7.24 -0.32 0.16 1.56 2.96 -1.26 -1.36 118.68 113.19 1gke s LEU 12 Ca -0.04 1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1gke s LEU 12 Cb 0.15 1.74 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 1gke s LEU 12 CO 0.52 -0.20 0.19 -0.32 -1.32 0.00 0.00 176.35 175.21 1gke s MET 13 N 1.24 1.11 -0.05 1.98 1.75 -1.05 -4.36 119.30 119.92 1gke s MET 13 Ca -0.08 -1.36 -0.04 0.00 -1.25 0.00 0.00 55.69 52.97 1gke s MET 13 Cb -0.06 0.32 0.02 0.00 2.84 0.00 0.00 34.83 37.94 1gke s MET 13 CO -0.12 -0.38 0.13 0.08 -0.65 0.00 0.00 175.02 174.08 1gke s VAL 14 N -4.04 -0.01 -0.03 10.11 1.01 -1.25 -1.67 120.40 124.52 1gke s VAL 14 Ca 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1gke s VAL 14 Cb 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1gke s VAL 14 CO 0.04 0.02 0.07 -0.75 0.00 0.00 0.00 175.10 174.47 1gke s LYS 15 N 0.34 0.05 0.06 2.72 2.20 -0.73 -1.90 119.74 122.47 1gke s LYS 15 Ca -0.02 0.16 0.07 0.00 -0.36 0.00 0.00 55.97 55.82 1gke s LYS 15 Cb -0.03 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 1gke s LYS 15 CO -0.01 -0.07 -0.19 0.08 -0.36 0.00 0.00 175.35 174.79 1gke s VAL 16 N 0.49 1.57 0.27 4.02 1.01 -1.07 -0.37 120.40 126.33 1gke s VAL 16 Ca -0.04 -1.25 0.10 0.00 0.00 0.00 0.00 61.98 60.78 1gke s VAL 16 Cb -0.05 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1gke s VAL 16 CO -0.02 0.10 -0.14 -0.76 0.00 0.00 0.00 175.10 174.27 1gke s LEU 17 N -1.37 2.59 -0.76 3.92 1.02 0.85 -2.17 118.68 122.76 1gke s LEU 17 Ca 0.06 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 53.13 1gke s LEU 17 Cb -0.09 -0.90 0.19 0.00 0.02 0.00 0.00 46.19 45.41 1gke s LEU 17 CO 0.02 -0.12 0.60 -0.62 0.02 0.00 0.00 176.35 176.25 1gke s ASP 18 N -3.47 5.38 0.00 2.29 -1.08 0.20 -1.67 116.67 118.33 1gke s ASP 18 Ca 0.28 -3.56 0.00 0.00 -0.52 0.00 0.00 52.55 48.75 1gke s ASP 18 Cb -0.01 -1.80 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1gke s ASP 18 CO 0.13 -0.19 0.42 0.00 0.52 0.00 0.00 175.17 176.05 1gke n ALA 19 N 2.48 0.83 -0.09 3.66 0.00 -0.93 -0.54 120.51 125.92 1gke n ALA 19 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1gke n ALA 19 Cb 0.36 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 1gke n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gke n VAL 20 N -0.92 1.18 0.45 0.00 0.31 -1.26 -4.58 118.33 113.50 1gke n VAL 20 Ca 0.00 -0.64 0.06 0.00 -0.01 0.00 0.00 64.34 63.75 1gke n VAL 20 Cb 0.05 -0.76 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 1gke n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1gke n ARG 21 N -2.77 2.35 -3.02 5.55 3.00 -0.33 -5.00 116.66 116.44 1gke n ARG 21 Ca -0.30 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.85 57.39 1gke n ARG 21 Cb 1.01 -1.13 0.04 0.00 0.00 0.00 0.00 32.46 32.38 1gke n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gke n GLY 22 N 1.40 0.11 3.58 -0.13 0.00 0.29 -5.02 105.19 105.42 1gke n GLY 22 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.31 0.61 0.35 1.61 1.04 -1.20 -4.95 113.70 107.84 1gke s SER 23 Ca 0.25 -1.35 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 1gke s SER 23 Cb -0.11 0.70 -0.11 0.00 0.10 0.00 0.00 66.02 66.61 1gke s SER 23 CO 0.40 -1.38 1.41 -2.84 0.98 0.00 0.00 173.24 171.81 1gke s PRO 24 N -2.96 4.23 -0.49 4.02 0.02 -1.26 0.63 135.00 139.19 1gke s PRO 24 Ca 0.26 2.40 -0.28 0.00 0.02 0.00 0.00 61.00 63.40 1gke s PRO 24 Cb -0.02 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.51 1gke s PRO 24 CO 0.17 -0.38 1.11 0.00 -0.33 0.00 0.00 177.00 177.57 1gke s ALA 25 N -1.01 3.15 0.05 -1.55 0.00 -0.92 -4.72 121.76 116.75 1gke s ALA 25 Ca 0.52 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1gke s ALA 25 Cb -0.43 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 18.76 1gke s ALA 25 CO 0.57 -2.27 0.39 0.08 0.00 0.00 0.00 175.76 174.52 1gke s VAL 26 N 4.41 5.11 -1.05 0.00 1.01 -1.26 -4.38 120.40 124.23 1gke s VAL 26 Ca 0.46 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1gke s VAL 26 Cb -0.07 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1gke s VAL 26 CO 0.31 0.37 0.84 -0.67 0.00 0.00 0.00 175.10 175.95 1gke n ASP 27 N 1.16 -6.22 -4.48 3.32 2.03 0.24 -4.94 116.55 107.67 1gke n ASP 27 Ca -0.10 -0.77 -0.34 0.00 0.52 0.00 0.00 54.79 54.09 1gke n ASP 27 Cb 0.52 -4.43 -0.12 0.00 -0.72 0.00 0.00 41.12 36.37 1gke n ASP 27 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1gke s VAL 28 N -3.37 3.96 0.35 5.18 1.01 -1.25 -4.79 120.40 121.49 1gke s VAL 28 Ca 0.41 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1gke s VAL 28 Cb -0.09 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 1gke s VAL 28 CO 0.79 0.46 1.31 0.00 0.00 0.00 0.00 175.10 177.66 1gke s ALA 29 N 0.66 3.44 -0.13 5.51 0.00 -1.26 -1.60 121.76 128.39 1gke s ALA 29 Ca -0.01 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1gke s ALA 29 Cb -0.14 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.55 1gke s ALA 29 CO 0.02 -0.68 0.07 0.08 0.00 0.00 0.00 175.76 175.25 1gke s VAL 30 N -1.17 -0.04 0.05 0.00 1.01 0.36 -2.63 120.40 117.98 1gke s VAL 30 Ca 0.51 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1gke s VAL 30 Cb -0.39 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1gke s VAL 30 CO 0.52 -0.13 0.06 -0.54 0.00 0.00 0.00 175.10 175.01 1gke s LYS 31 N 2.12 2.86 -0.08 2.72 3.01 -0.92 -1.13 119.74 128.33 1gke s LYS 31 Ca 0.03 -0.66 0.01 0.00 -1.01 0.00 0.00 55.97 54.34 1gke s LYS 31 Cb -0.15 -2.72 0.02 0.00 -1.01 0.00 0.00 37.83 33.97 1gke s LYS 31 CO -0.07 0.59 -0.10 0.08 0.51 0.00 0.00 175.35 176.35 1gke s VAL 32 N -1.30 1.07 0.14 3.17 1.01 0.54 -0.74 120.40 124.29 1gke s VAL 32 Ca 0.26 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1gke s VAL 32 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1gke s VAL 32 CO 0.18 0.35 -0.26 -0.36 0.00 0.00 0.00 175.10 175.02 1gke s PHE 33 N 1.02 2.24 -0.10 5.22 0.08 -0.60 0.25 117.98 126.10 1gke s PHE 33 Ca -0.08 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.62 1gke s PHE 33 Cb -0.15 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 1gke s PHE 33 CO -0.00 0.35 -0.22 0.21 -0.10 0.00 0.00 175.22 175.45 1gke s LYS 34 N -2.14 2.81 -0.19 0.44 2.20 0.93 -1.10 119.74 122.69 1gke s LYS 34 Ca 0.14 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1gke s LYS 34 Cb -0.10 -2.15 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 1gke s LYS 34 CO 0.06 0.14 1.39 0.21 -0.36 0.00 0.00 175.35 176.80 1gke s LYS 35 N 0.42 4.07 0.09 4.03 2.20 -1.13 0.25 119.74 129.68 1gke s LYS 35 Ca -0.18 1.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 1gke s LYS 35 Cb -0.18 -3.87 -0.06 0.00 -1.51 0.00 0.00 37.83 32.21 1gke s LYS 35 CO 0.08 -0.93 1.12 0.99 -0.36 0.00 0.00 175.35 176.25 1gke s THR 36 N 4.09 4.12 -0.91 3.43 2.01 0.35 -4.80 115.64 123.93 1gke s THR 36 Ca 0.61 1.62 -0.26 0.00 0.31 0.00 0.00 61.69 63.97 1gke s THR 36 Cb -0.23 -4.04 -0.17 0.00 0.01 0.00 0.00 72.50 68.07 1gke s THR 36 CO 0.21 0.18 2.28 0.00 -0.69 0.00 0.00 174.62 176.61 1gke s ALA 37 N 0.56 0.63 0.00 7.40 0.00 -1.26 -1.19 121.76 127.89 1gke s ALA 37 Ca 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1gke s ALA 37 Cb -0.28 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.21 1gke s ALA 37 CO 0.31 -6.29 0.00 -0.40 0.00 0.00 0.00 175.76 169.38 1gke n ASP 38 N 18.96 0.00 0.00 0.00 5.68 -1.26 -4.99 116.55 134.94 1gke n ASP 38 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1gke n ASP 38 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1gke n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gke n GLY 39 N 0.00 3.07 1.01 6.12 0.00 -0.33 -5.10 105.19 109.96 1gke n GLY 39 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1gke n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gke n SER 40 N 0.10 -1.62 -3.83 1.61 7.64 -1.23 -4.43 113.62 111.86 1gke n SER 40 Ca 0.00 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 1gke n SER 40 Cb 0.00 -0.26 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 1gke n SER 40 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1gke s TRP 41 N -0.65 1.84 0.08 1.43 0.23 -1.26 -0.50 118.94 120.11 1gke s TRP 41 Ca 0.16 -1.50 0.02 0.00 -2.03 0.00 0.00 56.10 52.74 1gke s TRP 41 Cb -0.11 -1.48 -0.04 0.00 0.03 0.00 0.00 33.47 31.87 1gke s TRP 41 CO 0.25 -0.75 0.15 -1.83 0.96 0.00 0.00 176.95 175.72 1gke s GLU 42 N 1.58 3.15 0.12 4.98 -1.05 0.14 -4.80 118.70 122.82 1gke s GLU 42 Ca 0.00 -0.58 -0.31 0.00 -0.15 0.00 0.00 54.97 53.93 1gke s GLU 42 Cb -0.18 -2.87 -0.10 0.00 -0.44 0.00 0.00 34.13 30.54 1gke s GLU 42 CO -0.11 0.58 1.76 -2.14 0.95 0.00 0.00 175.26 176.30 1gke s PRO 43 N -2.50 4.16 -0.25 -4.83 0.02 -1.26 -0.05 135.00 130.29 1gke s PRO 43 Ca 0.32 2.51 -0.13 0.00 0.02 0.00 0.00 61.00 63.72 1gke s PRO 43 Cb -0.12 -3.54 -0.11 0.00 0.02 0.00 0.00 34.50 30.75 1gke s PRO 43 CO 0.25 -0.79 -0.33 0.34 -0.33 0.00 0.00 177.00 176.13 1gke n PHE 44 N 5.45 0.00 -3.87 6.54 7.35 0.14 -4.84 117.46 128.24 1gke n PHE 44 Ca 0.17 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.83 1gke n PHE 44 Cb 0.39 -0.88 0.01 0.00 0.35 0.00 0.00 39.48 39.35 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 -2.51 -1.62 -0.13 3.13 0.00 -1.04 -5.02 121.76 114.57 1gke s ALA 45 Ca -0.35 -0.27 -0.33 0.00 0.00 0.00 0.00 51.96 51.01 1gke s ALA 45 Cb 0.13 0.75 0.13 0.00 0.00 0.00 0.00 23.12 24.12 1gke s ALA 45 CO 0.45 -1.06 1.10 -1.54 0.00 0.00 0.00 175.76 174.70 1gke s SER 46 N -3.36 -0.22 0.00 0.00 1.04 -1.26 -0.34 113.70 109.57 1gke s SER 46 Ca 0.21 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1gke s SER 46 Cb -0.02 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1gke s SER 46 CO 0.05 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1gke n GLY 47 N -0.09 0.61 3.11 7.32 0.00 -0.28 -4.99 105.19 110.86 1gke n GLY 47 Ca -0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1gke n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gke s LYS 48 N -1.45 1.09 -0.01 1.61 1.02 -1.25 -0.49 119.74 120.26 1gke s LYS 48 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1gke s LYS 48 Cb 0.00 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 1gke s LYS 48 CO 0.00 0.29 1.38 0.95 -0.92 0.00 0.00 175.35 177.05 1gke s THR 49 N -0.42 3.77 0.95 2.17 -4.23 -0.63 -4.75 115.64 112.51 1gke s THR 49 Ca 0.05 1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 61.54 1gke s THR 49 Cb -0.06 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.28 1gke s THR 49 CO -0.00 -0.00 0.90 0.00 -0.54 0.00 0.00 174.62 174.97 1gke n ALA 50 N 5.37 -2.53 -0.34 3.99 0.00 -0.33 0.83 120.51 127.50 1gke n ALA 50 Ca 0.13 -1.31 0.10 0.00 0.00 0.00 0.00 53.44 52.36 1gke n ALA 50 Cb 0.44 -0.09 0.28 0.00 0.00 0.00 0.00 19.45 20.08 1gke n ALA 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1gke h GLU 51 N 0.00 0.75 0.00 0.00 -0.00 -1.92 0.51 114.58 113.92 1gke h GLU 51 Ca -0.33 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1gke h GLU 51 Cb 0.99 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.57 1gke h GLU 51 CO 0.22 0.50 0.00 -1.13 -0.00 0.00 0.00 179.01 178.60 1gke n SER 52 N -4.76 0.00 0.00 3.06 3.41 -1.26 -4.70 113.62 109.37 1gke n SER 52 Ca 0.21 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1gke n SER 52 Cb 0.49 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.16 2.89 2.11 5.00 0.00 0.17 -4.77 105.19 110.43 1gke n GLY 53 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1gke n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gke n GLU 54 N -2.00 -1.13 -3.16 1.61 1.02 -1.26 -2.59 120.64 113.13 1gke n GLU 54 Ca 0.00 -1.11 0.03 0.00 -0.02 0.00 0.00 57.16 56.07 1gke n GLU 54 Cb 0.00 -0.81 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1gke n GLU 54 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1gke s LEU 55 N 0.00 -1.59 -0.02 -4.62 0.20 -0.80 -1.19 118.68 110.67 1gke s LEU 55 Ca 0.42 -0.01 -0.08 0.00 0.69 0.00 0.00 54.13 55.15 1gke s LEU 55 Cb -0.02 2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 47.70 1gke s LEU 55 CO 0.30 -0.27 0.26 -1.00 -0.29 0.00 0.00 176.35 175.35 1gke s HIS 56 N 2.63 3.60 0.00 5.38 3.76 -1.26 -3.86 115.29 125.54 1gke s HIS 56 Ca 0.12 0.61 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 1gke s HIS 56 Cb -0.09 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1gke s HIS 56 CO -0.22 0.64 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 1gke n GLY 57 N 1.38 0.93 0.31 -2.22 0.00 -1.26 -5.01 105.19 99.32 1gke n GLY 57 Ca -0.13 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -7.26 0.99 3.38 -1.82 -3.46 115.31 107.15 1gke h LEU 58 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1gke h LEU 58 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1gke h LEU 58 CO 0.00 0.00 0.73 0.28 0.09 0.00 0.00 178.44 179.54 1gke s THR 59 N -5.01 0.00 0.48 0.22 -1.32 -1.26 -4.71 115.64 104.03 1gke s THR 59 Ca -0.05 -0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.21 1gke s THR 59 Cb 0.18 -1.75 0.04 0.00 -1.51 0.00 0.00 72.50 69.45 1gke s THR 59 CO 0.68 0.00 0.29 0.35 -2.21 0.00 0.00 174.62 173.73 1gke n THR 60 N -0.40 0.00 0.11 5.08 -2.24 -1.26 -4.58 114.28 110.99 1gke n THR 60 Ca -0.06 -1.96 -0.03 0.00 -2.27 0.00 0.00 64.05 59.73 1gke n THR 60 Cb 0.61 0.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.01 1gke n THR 60 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1gke h ASP 61 N 0.67 0.15 -0.77 3.42 3.32 -1.98 -0.61 116.42 120.62 1gke h ASP 61 Ca -0.32 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1gke h ASP 61 Cb 1.12 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1gke h ASP 61 CO 0.51 0.71 0.35 -0.08 -1.72 0.00 0.00 179.24 179.00 1gke h GLU 62 N 0.10 1.12 0.00 3.56 4.81 -2.05 -3.25 114.58 118.87 1gke h GLU 62 Ca -0.01 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1gke h GLU 62 Cb 1.07 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1gke h GLU 62 CO 0.09 0.88 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.02 1gke h LYS 63 N 1.09 0.00 -5.67 1.92 3.64 -1.95 -3.43 116.57 112.16 1gke h LYS 63 Ca 0.26 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.12 1gke h LYS 63 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1gke h LYS 63 CO -0.03 0.75 1.59 0.34 -2.27 0.00 0.00 179.45 179.83 1gke n PHE 64 N -4.65 1.46 -4.26 1.91 7.35 -0.24 -4.93 117.46 114.10 1gke n PHE 64 Ca -0.08 0.12 -0.26 0.00 -0.76 0.00 0.00 57.45 56.48 1gke n PHE 64 Cb 0.36 -2.61 -0.08 0.00 0.35 0.00 0.00 39.48 37.50 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 10.29 2.21 0.32 -2.13 -4.23 -1.26 -4.78 115.64 116.07 1gke s THR 65 Ca 1.05 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1gke s THR 65 Cb -0.44 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1gke s THR 65 CO 0.34 0.00 1.55 1.21 -0.54 0.00 0.00 174.62 177.18 1gke n GLU 66 N -1.17 2.66 0.00 3.99 0.00 -1.25 -4.56 120.64 120.30 1gke n GLU 66 Ca -0.02 0.94 0.00 0.00 0.00 0.00 0.00 57.16 58.08 1gke n GLU 66 Cb 0.65 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 29.40 1gke n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gke n GLY 67 N 1.56 3.72 3.78 8.31 0.00 -0.77 -4.97 105.19 116.82 1gke n GLY 67 Ca 0.06 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 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 4.28 0.27 1.61 0.11 -1.26 -1.10 120.40 122.31 1gke s VAL 68 Ca 0.00 1.74 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 1gke s VAL 68 Cb 0.00 -4.04 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 1gke s VAL 68 CO 0.00 0.24 0.05 -1.22 -3.33 0.00 0.00 175.10 170.84 1gke n TYR 69 N 0.82 0.35 -3.27 1.54 4.01 0.59 -2.82 117.16 118.38 1gke n TYR 69 Ca -0.00 -1.53 0.02 0.00 -0.16 0.00 0.00 57.90 56.23 1gke n TYR 69 Cb 0.50 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 1gke n TYR 69 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1gke s ARG 70 N -3.00 0.56 -0.04 -0.72 1.04 -0.26 -2.86 118.95 113.67 1gke s ARG 70 Ca 0.07 1.10 -0.15 0.00 -1.04 0.00 0.00 55.73 55.71 1gke s ARG 70 Cb 0.00 0.60 -0.05 0.00 -2.04 0.00 0.00 34.95 33.46 1gke s ARG 70 CO 0.05 -0.52 0.41 0.08 -0.04 0.00 0.00 175.30 175.28 1gke s VAL 71 N 2.86 5.09 -0.42 4.99 1.01 -0.20 -1.55 120.40 132.18 1gke s VAL 71 Ca 0.14 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.98 1gke s VAL 71 Cb -0.14 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.64 1gke s VAL 71 CO -0.20 0.50 0.23 -0.70 0.00 0.00 0.00 175.10 174.93 1gke s GLU 72 N -0.51 1.11 -0.25 2.72 2.12 0.09 -1.66 118.70 122.31 1gke s GLU 72 Ca 0.23 -1.84 -0.25 0.00 0.36 0.00 0.00 54.97 53.47 1gke s GLU 72 Cb -0.16 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 32.14 1gke s GLU 72 CO 0.12 -1.17 0.86 -0.51 -0.54 0.00 0.00 175.26 174.02 1gke s LEU 73 N 0.53 4.08 -1.32 2.70 1.02 -0.42 -2.15 118.68 123.11 1gke s LEU 73 Ca 0.18 1.05 -0.17 0.00 0.02 0.00 0.00 54.13 55.20 1gke s LEU 73 Cb -0.24 -3.24 0.04 0.00 0.02 0.00 0.00 46.19 42.77 1gke s LEU 73 CO 0.00 -0.56 1.94 -0.67 0.02 0.00 0.00 176.35 177.08 1gke n ASP 74 N 6.10 4.30 -0.20 2.29 2.03 -1.08 -1.37 116.55 128.63 1gke n ASP 74 Ca 0.07 -2.86 0.17 0.00 0.52 0.00 0.00 54.79 52.68 1gke n ASP 74 Cb 0.47 -1.68 0.50 0.00 -0.72 0.00 0.00 41.12 39.69 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 5.00 0.76 0.69 5.18 1.35 -1.87 -2.97 112.91 121.05 1gke h THR 75 Ca 0.47 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 66.15 1gke h THR 75 Cb 0.78 0.30 0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1gke h THR 75 CO 1.62 0.08 -0.33 0.50 -0.25 0.00 0.00 175.52 177.14 1gke h LYS 76 N 0.42 -0.89 -1.07 4.72 3.64 -1.71 -2.98 116.57 118.70 1gke h LYS 76 Ca 0.41 0.06 0.31 0.00 -1.27 0.00 0.00 60.65 60.16 1gke h LYS 76 Cb 0.95 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1gke h LYS 76 CO -0.14 -0.57 0.77 0.77 -2.27 0.00 0.00 179.45 178.01 1gke h SER 77 N -1.05 0.03 0.26 4.20 0.02 -1.81 -1.27 113.55 113.93 1gke h SER 77 Ca -0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1gke h SER 77 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1gke h SER 77 CO 0.16 0.01 -0.12 0.22 -1.14 0.00 0.00 176.83 175.95 1gke h TYR 78 N 0.03 -0.32 -0.80 3.45 3.20 -1.56 -2.54 116.97 118.44 1gke h TYR 78 Ca 0.52 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.38 1gke h TYR 78 Cb 2.01 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 40.35 1gke h TYR 78 CO -0.00 -0.20 0.51 -1.49 -1.64 0.00 0.00 178.16 175.34 1gke h TRP 79 N -0.47 1.02 -0.84 -3.82 4.06 -1.36 -2.66 115.95 111.87 1gke h TRP 79 Ca -0.04 0.01 0.20 0.00 2.06 0.00 0.00 58.89 61.13 1gke h TRP 79 Cb 0.27 -0.34 -0.06 0.00 -1.00 0.00 0.00 29.16 28.03 1gke h TRP 79 CO 0.10 0.66 0.57 -0.22 -3.56 0.00 0.00 178.44 175.98 1gke h LYS 80 N 1.08 0.31 0.00 0.49 1.63 -1.03 0.53 116.57 119.59 1gke h LYS 80 Ca 0.29 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1gke h LYS 80 Cb -0.10 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1gke h LYS 80 CO -0.06 0.21 0.00 0.00 -3.45 0.00 0.00 179.45 176.15 1gke n ALA 81 N -2.55 2.11 -0.06 5.00 0.00 -0.96 -2.92 120.51 121.13 1gke n ALA 81 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1gke n ALA 81 Cb 0.69 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.33 0.00 0.00 0.00 4.77 0.18 -5.01 117.00 115.62 1gke n LEU 82 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1gke n LEU 82 Cb 0.19 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1gke n LEU 82 CO 0.17 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1gke n GLY 83 N 1.79 1.06 3.66 -0.72 0.00 -1.01 -5.12 105.19 104.84 1gke n GLY 83 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.77 5.25 -0.62 -0.61 1.01 -1.17 -4.99 121.20 118.30 1gke s ILE 84 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 60.91 1gke s ILE 84 Cb 0.00 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.88 1gke s ILE 84 CO 0.00 0.27 1.00 -0.44 0.00 0.00 0.00 174.94 175.76 1gke s SER 85 N 1.16 6.25 0.83 3.58 0.01 -1.26 -2.73 113.70 121.53 1gke s SER 85 Ca 0.14 -0.63 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 1gke s SER 85 Cb -0.15 -2.45 0.09 0.00 0.21 0.00 0.00 66.02 63.72 1gke s SER 85 CO 0.07 -1.40 1.10 -2.16 0.41 0.00 0.00 173.24 171.26 1gke s PRO 86 N 4.24 1.85 -0.08 12.44 0.04 -1.26 -5.01 135.00 147.22 1gke s PRO 86 Ca 0.28 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 1gke s PRO 86 Cb -0.14 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1gke s PRO 86 CO 0.15 -1.78 0.33 0.35 0.04 0.00 0.00 177.00 176.09 1gke h PHE 87 N -1.20 -0.15 -3.92 0.56 3.57 -1.55 -3.46 116.94 110.78 1gke h PHE 87 Ca -0.48 -0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.51 1gke h PHE 87 Cb 1.28 0.05 0.05 0.00 2.79 0.00 0.00 35.95 40.12 1gke h PHE 87 CO 0.44 0.05 0.53 -1.01 -2.23 0.00 0.00 178.31 176.09 1gke s HIS 88 N -2.26 3.08 0.13 0.41 3.76 -1.26 -4.94 115.29 114.21 1gke s HIS 88 Ca -0.05 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.40 1gke s HIS 88 Cb -0.00 -3.46 -0.11 0.00 1.11 0.00 0.00 32.58 30.12 1gke s HIS 88 CO 0.18 -1.41 1.30 0.93 -0.85 0.00 0.00 174.74 174.89 1gke h GLU 89 N 2.84 0.20 0.00 1.40 4.39 -1.98 -3.36 114.58 118.08 1gke h GLU 89 Ca -0.49 -0.26 0.18 0.00 0.34 0.00 0.00 59.36 59.13 1gke h GLU 89 Cb 1.23 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 1gke h GLU 89 CO 0.63 1.03 0.52 2.48 -1.16 0.00 0.00 179.01 182.51 1gke n TYR 90 N -3.59 -0.67 -4.10 4.33 0.18 -1.26 -3.66 117.16 108.39 1gke n TYR 90 Ca -0.04 -0.66 -0.14 0.00 1.88 0.00 0.00 57.90 58.94 1gke n TYR 90 Cb 0.88 0.31 -0.13 0.00 -0.38 0.00 0.00 39.34 40.02 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 -1.69 0.47 0.09 -3.48 0.00 -0.47 -4.80 121.76 111.88 1gke s ALA 91 Ca 0.18 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1gke s ALA 91 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1gke s ALA 91 CO 0.01 0.03 -0.02 -1.21 0.00 0.00 0.00 175.76 174.58 1gke s GLU 92 N -0.85 0.77 -0.13 0.00 2.02 -1.26 -1.31 118.70 117.94 1gke s GLU 92 Ca -0.04 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 53.59 1gke s GLU 92 Cb -0.06 0.09 0.06 0.00 0.10 0.00 0.00 34.13 34.32 1gke s GLU 92 CO 0.00 -0.12 0.11 0.08 0.02 0.00 0.00 175.26 175.35 1gke s VAL 93 N -3.86 -0.16 -0.13 2.63 1.01 -0.67 -4.97 120.40 114.25 1gke s VAL 93 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1gke s VAL 93 Cb 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1gke s VAL 93 CO -0.05 -0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.24 1gke s VAL 94 N 2.20 4.05 -0.00 2.92 1.01 -1.26 -1.04 120.40 128.28 1gke s VAL 94 Ca 0.04 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1gke s VAL 94 Cb -0.14 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.59 1gke s VAL 94 CO -0.08 0.53 0.87 0.72 0.00 0.00 0.00 175.10 177.15 1gke s PHE 95 N -0.09 -0.37 -0.10 5.22 -0.71 -1.14 -5.01 117.98 115.79 1gke s PHE 95 Ca 0.03 0.26 -0.09 0.00 -1.04 0.00 0.00 56.93 56.09 1gke s PHE 95 Cb -0.13 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1gke s PHE 95 CO 0.02 -0.55 0.20 0.99 -1.34 0.00 0.00 175.22 174.54 1gke s THR 96 N -3.01 5.41 0.15 -4.49 2.01 -1.26 -0.30 115.64 114.14 1gke s THR 96 Ca 0.04 0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.46 1gke s THR 96 Cb -0.01 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1gke s THR 96 CO -0.08 0.60 -0.16 0.00 -0.69 0.00 0.00 174.62 174.28 1gke s ALA 97 N -0.94 1.81 0.00 7.40 0.00 -0.25 -4.79 121.76 124.99 1gke s ALA 97 Ca 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1gke s ALA 97 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1gke s ALA 97 CO 0.06 0.17 0.00 0.09 0.00 0.00 0.00 175.76 176.07 1gke n ASN 98 N 0.33 -4.35 0.06 0.00 3.02 -1.24 -1.85 115.26 111.23 1gke n ASN 98 Ca -0.14 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.21 1gke n ASN 98 Cb 0.57 -3.12 -0.12 0.00 -0.61 0.00 0.00 39.78 36.50 1gke n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1gke h ASP 99 N 0.00 0.75 -0.59 6.41 2.03 -1.91 -3.19 116.42 119.92 1gke h ASP 99 Ca 0.00 -0.82 -0.12 0.00 -0.73 0.00 0.00 57.03 55.36 1gke h ASP 99 Cb 0.71 -0.23 -0.07 0.00 -0.83 0.00 0.00 39.33 38.90 1gke h ASP 99 CO 0.00 1.48 0.15 -1.54 -1.03 0.00 0.00 179.24 178.31 1gke n SER 100 N -3.95 4.66 0.00 4.15 3.41 -1.26 -4.98 113.62 115.65 1gke n SER 100 Ca -0.13 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 1gke n SER 100 Cb 0.88 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1gke n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gke n GLY 101 N 0.14 3.48 3.64 5.00 0.00 -1.21 -5.01 105.19 111.24 1gke n GLY 101 Ca 0.31 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1gke n GLY 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gke s HIS 102 N -2.41 2.93 0.28 1.61 2.46 -1.26 -3.62 115.29 115.28 1gke s HIS 102 Ca 0.00 1.06 0.01 0.00 0.47 0.00 0.00 55.06 56.60 1gke s HIS 102 Cb 0.00 -3.68 0.01 0.00 -0.13 0.00 0.00 32.58 28.78 1gke s HIS 102 CO 0.00 -1.30 0.08 0.54 -2.47 0.00 0.00 174.74 171.59 1gke n ARG 103 N 6.91 1.24 -3.96 2.88 5.12 -1.26 -4.65 116.66 122.93 1gke n ARG 103 Ca 0.13 -1.92 -0.30 0.00 -1.93 0.00 0.00 57.85 53.84 1gke n ARG 103 Cb 0.46 0.41 -0.16 0.00 -1.16 0.00 0.00 32.46 32.01 1gke n ARG 103 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1gke s HIS 104 N -1.78 2.38 0.36 -1.55 3.76 0.14 -4.86 115.29 113.74 1gke s HIS 104 Ca 0.06 -1.66 0.05 0.00 -0.15 0.00 0.00 55.06 53.36 1gke s HIS 104 Cb -0.00 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1gke s HIS 104 CO 0.04 -0.75 0.52 0.71 -0.85 0.00 0.00 174.74 174.40 1gke s TYR 105 N 1.41 3.16 -0.25 1.40 1.51 -0.46 -1.06 117.35 123.04 1gke s TYR 105 Ca -0.04 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1gke s TYR 105 Cb -0.18 -2.06 0.14 0.00 -0.11 0.00 0.00 41.96 39.76 1gke s TYR 105 CO -0.07 -0.08 0.44 0.99 -1.11 0.00 0.00 175.55 175.72 1gke s THR 106 N -2.26 -0.71 -0.39 -0.71 2.01 -0.99 -2.53 115.64 110.06 1gke s THR 106 Ca 0.45 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 1gke s THR 106 Cb -0.10 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1gke s THR 106 CO 0.33 -0.06 0.28 -0.63 -0.69 0.00 0.00 174.62 173.84 1gke s ILE 107 N 2.64 5.23 -0.05 1.82 1.01 -0.67 -2.04 121.20 129.13 1gke s ILE 107 Ca 0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1gke s ILE 107 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1gke s ILE 107 CO -0.17 -0.21 0.06 0.00 0.00 0.00 0.00 174.94 174.62 1gke s ALA 108 N 1.69 3.50 -0.03 9.38 0.00 -0.70 -1.77 121.76 133.83 1gke s ALA 108 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1gke s ALA 108 Cb -0.19 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1gke s ALA 108 CO 0.10 0.64 -0.01 0.00 0.00 0.00 0.00 175.76 176.49 1gke s ALA 109 N -1.05 0.34 -0.29 0.00 0.00 0.51 -1.51 121.76 119.75 1gke s ALA 109 Ca 0.18 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1gke s ALA 109 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1gke s ALA 109 CO 0.08 -0.04 0.11 -1.17 0.00 0.00 0.00 175.76 174.75 1gke s LEU 110 N 0.80 3.85 0.13 0.00 2.96 0.79 -0.11 118.68 127.11 1gke s LEU 110 Ca -0.08 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1gke s LEU 110 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1gke s LEU 110 CO -0.01 -0.14 0.32 -0.76 -1.32 0.00 0.00 176.35 174.43 1gke s LEU 111 N 1.59 4.29 -0.29 -0.68 1.43 -0.67 -1.60 118.68 122.76 1gke s LEU 111 Ca 0.05 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 1gke s LEU 111 Cb -0.16 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 43.05 1gke s LEU 111 CO 0.05 0.06 0.83 -0.44 0.23 0.00 0.00 176.35 177.08 1gke s SER 112 N -2.74 -0.74 0.09 2.29 0.01 -0.07 -2.19 113.70 110.34 1gke s SER 112 Ca 0.38 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1gke s SER 112 Cb -0.12 1.34 0.21 0.00 0.21 0.00 0.00 66.02 67.67 1gke s SER 112 CO 0.27 -0.18 0.45 -2.65 0.41 0.00 0.00 173.24 171.54 1gke n PRO 113 N 4.09 -0.02 -0.04 12.44 -0.02 -1.26 0.59 135.00 150.79 1gke n PRO 113 Ca -0.19 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1gke n PRO 113 Cb 0.58 -0.68 0.05 0.00 -0.02 0.00 0.00 33.50 33.42 1gke n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gke n TYR 114 N -4.21 0.10 -3.83 6.00 4.02 -1.26 -1.28 117.16 116.70 1gke n TYR 114 Ca 0.07 -0.20 -0.11 0.00 -0.01 0.00 0.00 57.90 57.64 1gke n TYR 114 Cb 0.22 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 1gke n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1gke s SER 115 N -0.69 -0.00 0.16 7.72 0.15 0.20 -4.94 113.70 116.30 1gke s SER 115 Ca 0.09 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.22 1gke s SER 115 Cb 0.05 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1gke s SER 115 CO 0.07 -0.56 0.54 -0.72 1.20 0.00 0.00 173.24 173.77 1gke s TYR 116 N -2.49 -0.37 -0.03 3.44 -0.85 -1.26 -0.89 117.35 114.90 1gke s TYR 116 Ca -0.06 0.10 -0.03 0.00 -0.52 0.00 0.00 57.07 56.57 1gke s TYR 116 Cb -0.01 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.79 1gke s TYR 116 CO -0.03 -0.83 0.08 -1.12 -1.52 0.00 0.00 175.55 172.13 1gke s SER 117 N -2.79 -0.06 0.06 -0.18 0.01 -0.63 -4.96 113.70 105.15 1gke s SER 117 Ca 0.03 0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1gke s SER 117 Cb -0.00 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 1gke s SER 117 CO -0.11 -0.06 -0.17 0.42 0.41 0.00 0.00 173.24 173.73 1gke s THR 118 N -0.12 1.40 0.01 1.44 -4.23 -1.26 -0.15 115.64 112.73 1gke s THR 118 Ca -0.02 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1gke s THR 118 Cb -0.02 -1.26 -0.00 0.00 1.34 0.00 0.00 72.50 72.56 1gke s THR 118 CO 0.00 -0.00 0.12 0.28 -0.54 0.00 0.00 174.62 174.48 1gke s THR 119 N -0.99 0.09 -0.03 3.99 -1.32 -0.57 -4.99 115.64 111.82 1gke s THR 119 Ca 0.04 -0.74 0.05 0.00 -1.21 0.00 0.00 61.69 59.82 1gke s THR 119 Cb -0.09 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.44 1gke s THR 119 CO 0.02 -0.41 -0.17 0.00 -2.21 0.00 0.00 174.62 171.85 1gke s ALA 120 N -1.48 1.50 -0.25 11.08 0.00 -1.26 -1.72 121.76 129.62 1gke s ALA 120 Ca -0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1gke s ALA 120 Cb -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1gke s ALA 120 CO 0.01 0.32 -0.05 0.08 0.00 0.00 0.00 175.76 176.12 1gke s VAL 121 N -0.20 2.93 -0.22 0.00 1.01 -0.87 -4.99 120.40 118.07 1gke s VAL 121 Ca 0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1gke s VAL 121 Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1gke s VAL 121 CO 0.01 0.19 0.28 -0.69 0.00 0.00 0.00 175.10 174.89 1gke s VAL 122 N 1.33 5.28 -0.04 2.92 1.01 -1.26 -2.34 120.40 127.31 1gke s VAL 122 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1gke s VAL 122 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1gke s VAL 122 CO -0.04 0.30 -0.02 -0.55 0.00 0.00 0.00 175.10 174.79 1gke s SER 123 N 1.04 0.80 0.67 3.32 0.15 -0.22 -4.98 113.70 114.48 1gke s SER 123 Ca 0.13 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.55 1gke s SER 123 Cb -0.14 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1gke s SER 123 CO 0.06 -0.09 1.11 0.21 1.20 0.00 0.00 173.24 175.74 1gke s ASN 124 N 1.05 5.03 0.75 5.45 3.84 -1.26 0.26 114.94 130.06 1gke s ASN 124 Ca -0.09 2.00 0.00 0.00 0.21 0.00 0.00 52.86 54.97 1gke s ASN 124 Cb -0.14 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1gke s ASN 124 CO -0.01 -1.68 0.00 -2.65 -2.79 0.00 0.00 177.10 169.97 1gke n PRO 125 N -2.51 -0.65 -2.26 0.43 -0.02 -1.26 -4.75 135.00 123.98 1gke n PRO 125 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 1gke n PRO 125 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1gke n PRO 125 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1gke n GLN 126 N -1.20 3.30 0.00 -0.52 0.00 -1.26 -5.09 117.38 112.61 1gke n GLN 126 Ca 0.00 -3.26 0.00 0.00 -0.00 0.00 0.00 57.00 53.74 1gke n GLN 126 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 30.24 27.12 1gke n GLN 126 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35