#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 0.90 -4.10 4.33 4.81 -1.26 -4.88 118.16 117.96 1gke n LYS 9 Ca 0.00 -0.60 -0.22 0.00 -0.87 0.00 0.00 58.31 56.62 1gke n LYS 9 Cb 0.00 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.52 1gke n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gke n PRO 11 N -1.11 0.00 -3.17 0.00 -0.02 -1.26 -4.60 135.00 124.84 1gke n PRO 11 Ca -0.08 0.32 -0.44 0.00 -2.02 0.00 0.00 63.50 61.28 1gke n PRO 11 Cb 0.57 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 32.94 1gke n PRO 11 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1gke s LEU 12 N -1.91 5.21 -0.09 2.45 2.96 -1.26 -2.09 118.68 123.94 1gke s LEU 12 Ca 0.00 -1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 52.75 1gke s LEU 12 Cb 0.00 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1gke s LEU 12 CO 0.00 -0.94 -0.04 -0.32 -1.32 0.00 0.00 176.35 173.73 1gke s MET 13 N 2.52 3.03 -0.03 1.98 -2.45 -1.12 -4.68 119.30 118.56 1gke s MET 13 Ca 0.12 -0.50 0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1gke s MET 13 Cb -0.22 -2.72 -0.02 0.00 1.25 0.00 0.00 34.83 33.12 1gke s MET 13 CO 0.09 0.58 -0.24 0.08 1.05 0.00 0.00 175.02 176.58 1gke s VAL 14 N -0.56 1.93 -0.13 10.11 1.01 -1.14 -1.64 120.40 129.98 1gke s VAL 14 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1gke s VAL 14 Cb -0.12 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1gke s VAL 14 CO 0.02 0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 175.01 1gke s LYS 15 N -0.49 1.90 -0.25 2.72 -0.14 0.17 0.31 119.74 123.96 1gke s LYS 15 Ca 0.07 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.29 1gke s LYS 15 Cb -0.10 -1.82 0.06 0.00 -1.68 0.00 0.00 37.83 34.29 1gke s LYS 15 CO -0.00 -0.23 -0.07 0.08 -0.76 0.00 0.00 175.35 174.37 1gke s VAL 16 N 1.54 1.80 0.30 3.17 1.01 0.21 -0.40 120.40 128.02 1gke s VAL 16 Ca 0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1gke s VAL 16 Cb -0.13 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1gke s VAL 16 CO -0.09 -0.12 0.40 0.18 0.00 0.00 0.00 175.10 175.48 1gke n LEU 17 N 4.56 0.00 -3.71 3.92 4.77 0.26 -0.45 117.00 126.36 1gke n LEU 17 Ca -0.12 -0.81 -0.26 0.00 -0.03 0.00 0.00 56.01 54.79 1gke n LEU 17 Cb 0.43 -0.27 -0.17 0.00 -2.33 0.00 0.00 43.42 41.09 1gke n LEU 17 CO 0.19 -0.71 -0.36 -0.62 -1.33 0.00 0.00 177.39 174.57 1gke s ASP 18 N -2.63 2.46 0.48 -1.43 -1.08 -0.69 -2.26 116.67 111.51 1gke s ASP 18 Ca 0.26 -0.60 0.31 0.00 -0.52 0.00 0.00 52.55 52.00 1gke s ASP 18 Cb -0.01 -0.46 1.28 0.00 -1.46 0.00 0.00 42.92 42.27 1gke s ASP 18 CO 0.18 -0.30 1.92 0.00 0.52 0.00 0.00 175.17 177.49 1gke h ALA 19 N 8.31 1.00 0.01 3.66 0.00 -1.07 0.15 119.26 131.33 1gke h ALA 19 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 1gke h ALA 19 Cb 1.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1gke h ALA 19 CO 0.30 0.00 -1.85 0.28 0.00 0.00 0.00 179.25 177.98 1gke n VAL 20 N -2.87 1.59 0.36 0.00 0.31 -1.26 -4.50 118.33 111.97 1gke n VAL 20 Ca 0.01 -0.79 0.05 0.00 -0.01 0.00 0.00 64.34 63.60 1gke n VAL 20 Cb 0.28 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.12 1gke n VAL 20 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1gke n ARG 21 N -3.05 2.59 -3.59 5.55 0.63 -1.21 -5.02 116.66 112.56 1gke n ARG 21 Ca -0.21 -0.03 -0.24 0.00 -0.92 0.00 0.00 57.85 56.45 1gke n ARG 21 Cb 1.07 -1.08 0.04 0.00 0.45 0.00 0.00 32.46 32.94 1gke n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gke n GLY 22 N 1.43 -0.77 3.34 5.14 0.00 0.53 -4.98 105.19 109.87 1gke n GLY 22 Ca 0.01 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.78 -0.10 0.87 1.61 1.04 -1.24 -4.99 113.70 107.10 1gke s SER 23 Ca 0.30 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1gke s SER 23 Cb -0.08 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.62 1gke s SER 23 CO 0.82 -0.88 1.14 -2.84 0.98 0.00 0.00 173.24 172.46 1gke s PRO 24 N -3.87 1.36 -0.42 4.02 0.02 -1.26 -1.71 135.00 133.14 1gke s PRO 24 Ca 0.08 1.49 -0.08 0.00 0.02 0.00 0.00 61.00 62.51 1gke s PRO 24 Cb 0.02 -1.77 0.09 0.00 0.02 0.00 0.00 34.50 32.86 1gke s PRO 24 CO -0.07 -2.37 0.25 0.00 -0.33 0.00 0.00 177.00 174.48 1gke s ALA 25 N -2.65 3.26 -0.12 -1.55 0.00 0.40 -4.73 121.76 116.37 1gke s ALA 25 Ca 0.66 -2.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 1gke s ALA 25 Cb -0.22 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1gke s ALA 25 CO 0.57 -1.70 0.21 0.14 0.00 0.00 0.00 175.76 174.98 1gke s VAL 26 N 1.36 5.38 0.00 0.00 -7.23 -1.26 -4.30 120.40 114.35 1gke s VAL 26 Ca 0.04 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1gke s VAL 26 Cb -0.23 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1gke s VAL 26 CO 0.00 0.54 0.00 0.47 -0.31 0.00 0.00 175.10 175.81 1gke n ASP 27 N 2.48 -1.06 -4.43 4.85 8.00 -0.02 -4.97 116.55 121.40 1gke n ASP 27 Ca -0.17 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 54.89 1gke n ASP 27 Cb 0.53 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1gke n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gke s VAL 28 N -2.25 4.51 0.21 2.53 1.01 -1.26 -4.78 120.40 120.37 1gke s VAL 28 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 61.10 1gke s VAL 28 Cb 0.00 -4.60 -0.14 0.00 0.00 0.00 0.00 36.38 31.64 1gke s VAL 28 CO 0.00 -1.32 1.44 0.00 0.00 0.00 0.00 175.10 175.23 1gke n ALA 29 N 7.18 1.06 -2.96 5.51 0.00 -1.26 -2.36 120.51 127.68 1gke n ALA 29 Ca -0.06 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 1gke n ALA 29 Cb 0.44 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 1gke n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gke s VAL 30 N 0.21 1.09 -0.05 0.00 1.01 0.22 -2.55 120.40 120.33 1gke s VAL 30 Ca 0.72 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1gke s VAL 30 Cb -0.67 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1gke s VAL 30 CO 0.47 0.32 -0.12 -0.54 0.00 0.00 0.00 175.10 175.23 1gke s LYS 31 N 0.10 1.43 -0.16 2.72 1.02 -0.87 -1.24 119.74 122.75 1gke s LYS 31 Ca -0.03 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1gke s LYS 31 Cb -0.10 -1.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.98 1gke s LYS 31 CO 0.01 0.10 -0.21 0.08 -0.92 0.00 0.00 175.35 174.42 1gke s VAL 32 N 0.37 2.10 0.47 3.17 1.01 -0.69 0.13 120.40 126.96 1gke s VAL 32 Ca -0.08 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1gke s VAL 32 Cb -0.12 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1gke s VAL 32 CO 0.02 0.54 0.59 -0.36 0.00 0.00 0.00 175.10 175.89 1gke s PHE 33 N 1.04 2.29 -0.04 5.22 0.40 -0.89 0.62 117.98 126.62 1gke s PHE 33 Ca -0.01 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1gke s PHE 33 Cb -0.14 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.17 1gke s PHE 33 CO -0.07 -0.58 0.08 0.21 0.70 0.00 0.00 175.22 175.56 1gke s LYS 34 N -4.40 0.02 0.84 0.44 2.20 0.15 -3.14 119.74 115.85 1gke s LYS 34 Ca 0.54 0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 56.30 1gke s LYS 34 Cb -0.07 -0.22 0.10 0.00 -1.51 0.00 0.00 37.83 36.13 1gke s LYS 34 CO 0.33 -0.17 1.17 1.17 -0.36 0.00 0.00 175.35 177.49 1gke n LYS 35 N 4.19 0.02 -4.14 4.03 4.81 -0.35 0.14 118.16 126.87 1gke n LYS 35 Ca -0.27 0.08 -0.24 0.00 -0.87 0.00 0.00 58.31 57.01 1gke n LYS 35 Cb 0.51 -2.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.08 1gke n LYS 35 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1gke s THR 36 N -2.25 2.57 0.35 3.15 2.01 0.29 -4.57 115.64 117.19 1gke s THR 36 Ca 0.72 -1.73 0.37 0.00 0.31 0.00 0.00 61.69 61.36 1gke s THR 36 Cb -0.28 -2.96 0.38 0.00 0.01 0.00 0.00 72.50 69.65 1gke s THR 36 CO 0.53 -0.08 2.14 0.00 -0.69 0.00 0.00 174.62 176.51 1gke h ALA 37 N 1.51 1.00 -0.68 7.40 0.00 -1.96 0.59 119.26 127.13 1gke h ALA 37 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gke h ALA 37 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1gke h ALA 37 CO 0.67 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.67 1gke n ASP 38 N -2.85 3.84 0.00 0.00 9.92 -1.26 -4.89 116.55 121.31 1gke n ASP 38 Ca -0.02 -2.01 0.00 0.00 -0.53 0.00 0.00 54.79 52.23 1gke n ASP 38 Cb 0.09 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 1gke n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gke n GLY 39 N 1.48 0.62 0.42 0.44 0.00 0.21 -4.99 105.19 103.36 1gke n GLY 39 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1gke n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gke n SER 40 N -0.09 -0.94 -3.76 1.61 2.88 -1.25 -4.46 113.62 107.61 1gke n SER 40 Ca 0.00 -0.66 -0.29 0.00 -1.33 0.00 0.00 58.87 56.59 1gke n SER 40 Cb 0.04 -0.12 -0.15 0.00 -0.75 0.00 0.00 64.21 63.23 1gke n SER 40 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1gke s TRP 41 N -1.25 1.63 0.16 0.66 0.52 -1.26 0.11 118.94 119.51 1gke s TRP 41 Ca 0.08 -1.53 -0.26 0.00 0.02 0.00 0.00 56.10 54.41 1gke s TRP 41 Cb -0.01 -1.54 -0.08 0.00 -1.15 0.00 0.00 33.47 30.69 1gke s TRP 41 CO 0.06 -0.80 0.80 -2.00 0.02 0.00 0.00 176.95 175.03 1gke s GLU 42 N 1.65 4.60 -0.30 4.98 2.12 0.38 -4.80 118.70 127.34 1gke s GLU 42 Ca 0.05 1.20 -0.29 0.00 0.36 0.00 0.00 54.97 56.30 1gke s GLU 42 Cb -0.17 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1gke s GLU 42 CO -0.19 0.53 1.75 -1.25 -0.54 0.00 0.00 175.26 175.56 1gke s PRO 43 N -1.04 3.47 -0.22 4.30 0.04 -1.26 0.31 135.00 140.60 1gke s PRO 43 Ca 0.37 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.96 1gke s PRO 43 Cb -0.23 -4.15 -0.20 0.00 0.04 0.00 0.00 34.50 29.95 1gke s PRO 43 CO 0.27 -1.69 -0.06 0.34 0.04 0.00 0.00 177.00 175.90 1gke n PHE 44 N 9.73 0.18 -3.78 0.56 7.35 -0.30 -4.90 117.46 126.29 1gke n PHE 44 Ca 0.22 0.04 -0.09 0.00 -0.76 0.00 0.00 57.45 56.86 1gke n PHE 44 Cb 0.46 -1.03 -0.03 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.52 -0.96 -0.08 3.13 0.00 0.20 -4.92 121.76 116.62 1gke s ALA 45 Ca -0.26 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 1gke s ALA 45 Cb 0.08 0.89 0.05 0.00 0.00 0.00 0.00 23.12 24.14 1gke s ALA 45 CO 0.68 -0.87 0.56 -1.12 0.00 0.00 0.00 175.76 175.01 1gke s SER 46 N -2.90 -0.53 0.00 0.00 0.01 -1.26 -1.71 113.70 107.32 1gke s SER 46 Ca 0.11 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1gke s SER 46 Cb -0.02 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1gke s SER 46 CO 0.01 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1gke n GLY 47 N 1.41 0.19 3.42 3.44 0.00 -0.37 -4.94 105.19 108.34 1gke n GLY 47 Ca -0.19 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 1.56 0.01 1.61 1.02 -1.26 0.70 119.74 121.39 1gke s LYS 48 Ca 0.00 -1.83 -0.23 0.00 0.02 0.00 0.00 55.97 53.92 1gke s LYS 48 Cb 0.00 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.35 1gke s LYS 48 CO 0.00 -0.10 0.70 0.95 -0.92 0.00 0.00 175.35 175.98 1gke s THR 49 N -3.23 4.83 0.00 2.17 -4.23 -1.00 -4.62 115.64 109.56 1gke s THR 49 Ca 0.33 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 62.32 1gke s THR 49 Cb 0.07 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1gke s THR 49 CO 0.13 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.58 1gke n ALA 50 N 2.90 0.00 0.61 3.99 0.00 -0.82 -0.84 120.51 126.34 1gke n ALA 50 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1gke n ALA 50 Cb 0.51 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.33 1gke n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gke n GLU 51 N -0.70 0.00 -0.11 0.00 4.71 -1.26 -1.09 120.64 122.19 1gke n GLU 51 Ca 0.00 0.20 0.10 0.00 -0.01 0.00 0.00 57.16 57.45 1gke n GLU 51 Cb 0.00 -1.50 0.32 0.00 -1.01 0.00 0.00 31.44 29.25 1gke n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1gke n SER 52 N -1.50 2.12 -4.06 1.62 3.41 -1.26 -4.73 113.62 109.21 1gke n SER 52 Ca 0.04 -1.80 -0.32 0.00 -0.26 0.00 0.00 58.87 56.53 1gke n SER 52 Cb 0.21 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.22 -0.42 3.00 5.00 0.00 -0.25 -4.80 105.19 108.93 1gke n GLY 53 Ca 0.17 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1gke n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gke s GLU 54 N -6.74 0.15 -0.40 1.61 2.12 -1.26 0.66 118.70 114.84 1gke s GLU 54 Ca 0.57 0.23 0.01 0.00 0.36 0.00 0.00 54.97 56.15 1gke s GLU 54 Cb -0.30 0.02 0.11 0.00 0.26 0.00 0.00 34.13 34.22 1gke s GLU 54 CO 0.89 -0.05 0.15 -1.17 -0.54 0.00 0.00 175.26 174.53 1gke s LEU 55 N 0.33 4.90 -0.44 2.70 2.96 0.15 -1.94 118.68 127.33 1gke s LEU 55 Ca -0.02 -2.27 -0.03 0.00 -0.22 0.00 0.00 54.13 51.59 1gke s LEU 55 Cb -0.03 -1.71 0.12 0.00 0.50 0.00 0.00 46.19 45.07 1gke s LEU 55 CO -0.01 -0.41 0.23 -1.38 -1.32 0.00 0.00 176.35 173.46 1gke s HIS 56 N 0.76 3.57 0.00 5.38 -3.43 -1.26 -2.87 115.29 117.43 1gke s HIS 56 Ca 0.11 -2.49 0.00 0.00 -0.80 0.00 0.00 55.06 51.89 1gke s HIS 56 Cb -0.21 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 1gke s HIS 56 CO -0.06 -0.95 0.00 0.41 -2.00 0.00 0.00 174.74 172.14 1gke n GLY 57 N 4.42 -1.80 0.00 -1.38 0.00 -1.26 -5.13 105.19 100.03 1gke n GLY 57 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1gke n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gke n LEU 58 N 0.00 0.00 -4.96 0.99 4.77 -1.26 -4.94 117.00 111.60 1gke n LEU 58 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1gke n LEU 58 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1gke n LEU 58 CO 0.00 0.00 0.18 0.28 -1.33 0.00 0.00 177.39 176.52 1gke s THR 59 N 0.00 1.88 0.09 -5.08 -1.32 -1.26 -5.05 115.64 104.90 1gke s THR 59 Ca 0.00 -1.28 0.07 0.00 -1.21 0.00 0.00 61.69 59.27 1gke s THR 59 Cb 0.00 -2.16 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 1gke s THR 59 CO 0.00 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 172.65 1gke s THR 60 N -2.72 1.42 0.25 5.08 -4.23 -1.26 -4.39 115.64 109.79 1gke s THR 60 Ca 0.46 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1gke s THR 60 Cb -0.04 -1.33 0.23 0.00 1.34 0.00 0.00 72.50 72.71 1gke s THR 60 CO 0.29 -0.15 1.70 0.44 -0.54 0.00 0.00 174.62 176.36 1gke h ASP 61 N 4.16 0.11 -0.99 3.99 5.19 -1.92 0.40 116.42 127.37 1gke h ASP 61 Ca -0.44 0.14 0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1gke h ASP 61 Cb 1.19 0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.76 1gke h ASP 61 CO 0.40 0.00 0.62 -0.08 -3.12 0.00 0.00 179.24 177.06 1gke h GLU 62 N 0.33 0.81 0.00 3.56 4.57 -2.02 -2.72 114.58 119.10 1gke h GLU 62 Ca 0.43 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1gke h GLU 62 Cb 0.72 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1gke h GLU 62 CO -0.48 0.54 -1.54 1.17 -1.18 0.00 0.00 179.01 177.52 1gke n LYS 63 N -4.68 0.59 -2.55 1.92 4.81 0.65 -4.76 118.16 114.15 1gke n LYS 63 Ca 0.21 -0.06 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 1gke n LYS 63 Cb 0.48 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1gke n LYS 63 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1gke n PHE 64 N -2.35 4.42 -1.22 5.64 7.35 0.11 -4.90 117.46 126.50 1gke n PHE 64 Ca -0.02 -3.02 -0.30 0.00 -0.76 0.00 0.00 57.45 53.35 1gke n PHE 64 Cb 0.54 -2.42 0.25 0.00 0.35 0.00 0.00 39.48 38.20 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 2.84 1.59 0.12 -2.13 -4.23 -1.26 -4.95 115.64 107.63 1gke s THR 65 Ca 0.48 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.69 1gke s THR 65 Cb 0.04 -2.58 -0.07 0.00 1.34 0.00 0.00 72.50 71.23 1gke s THR 65 CO 0.02 0.00 1.19 -0.70 -0.54 0.00 0.00 174.62 174.59 1gke s GLU 66 N -5.60 4.48 0.00 3.99 2.12 -1.26 -4.71 118.70 117.71 1gke s GLU 66 Ca 0.73 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.87 1gke s GLU 66 Cb -0.06 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1gke s GLU 66 CO 0.55 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1gke n GLY 67 N 2.68 -1.85 3.71 -1.50 0.00 -0.53 -4.96 105.19 102.76 1gke n GLY 67 Ca 0.06 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1gke n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gke s VAL 68 N -2.19 5.35 0.44 1.61 1.01 -1.26 0.22 120.40 125.58 1gke s VAL 68 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1gke s VAL 68 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1gke s VAL 68 CO 0.00 0.43 0.08 -0.31 0.00 0.00 0.00 175.10 175.30 1gke s TYR 69 N 0.45 2.33 -0.39 5.22 1.51 0.91 -1.21 117.35 126.17 1gke s TYR 69 Ca 0.08 -0.73 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1gke s TYR 69 Cb -0.11 -1.79 0.17 0.00 -0.11 0.00 0.00 41.96 40.12 1gke s TYR 69 CO -0.01 0.27 0.56 0.50 -1.11 0.00 0.00 175.55 175.76 1gke s ARG 70 N -3.84 0.75 -0.10 -0.62 3.52 -1.19 -2.46 118.95 115.02 1gke s ARG 70 Ca 0.29 -0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.27 1gke s ARG 70 Cb 0.06 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1gke s ARG 70 CO 0.16 -1.18 0.94 0.08 -0.81 0.00 0.00 175.30 174.49 1gke s VAL 71 N 1.84 4.84 -0.23 7.11 1.01 0.12 -2.09 120.40 133.00 1gke s VAL 71 Ca 0.16 1.91 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 1gke s VAL 71 Cb -0.07 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1gke s VAL 71 CO -0.08 0.06 -0.07 -0.70 0.00 0.00 0.00 175.10 174.31 1gke s GLU 72 N 1.75 3.14 -0.29 2.72 2.12 0.12 -0.49 118.70 127.77 1gke s GLU 72 Ca 0.46 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 1gke s GLU 72 Cb -0.18 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1gke s GLU 72 CO 0.19 -0.27 0.14 -0.51 -0.54 0.00 0.00 175.26 174.26 1gke s LEU 73 N 1.40 3.93 -1.19 2.70 1.43 0.40 -2.05 118.68 125.30 1gke s LEU 73 Ca 0.04 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1gke s LEU 73 Cb -0.15 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1gke s LEU 73 CO -0.05 -0.14 1.91 -0.67 0.23 0.00 0.00 176.35 177.63 1gke n ASP 74 N 4.98 3.70 0.05 2.29 2.03 -1.06 -1.20 116.55 127.34 1gke n ASP 74 Ca -0.14 -2.79 -0.05 0.00 0.52 0.00 0.00 54.79 52.32 1gke n ASP 74 Cb 0.50 -1.63 0.14 0.00 -0.72 0.00 0.00 41.12 39.41 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 5.41 1.33 -0.02 5.18 1.35 -1.89 -3.19 112.91 121.08 1gke h THR 75 Ca 0.37 -1.71 0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1gke h THR 75 Cb 0.83 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1gke h THR 75 CO 1.51 0.52 -0.01 0.50 -0.25 0.00 0.00 175.52 177.78 1gke h LYS 76 N 0.30 -0.02 0.00 4.72 3.64 -1.74 -1.71 116.57 121.77 1gke h LYS 76 Ca 0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1gke h LYS 76 Cb 0.96 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1gke h LYS 76 CO 0.08 -0.01 -0.08 0.77 -2.27 0.00 0.00 179.45 177.94 1gke h SER 77 N -0.02 0.00 0.58 4.20 0.02 -1.86 -0.58 113.55 115.90 1gke h SER 77 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1gke h SER 77 Cb 0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1gke h SER 77 CO -0.03 0.08 -0.28 0.22 -1.14 0.00 0.00 176.83 175.68 1gke h TYR 78 N 0.00 -0.73 -0.39 3.45 3.20 -1.32 -2.60 116.97 118.58 1gke h TYR 78 Ca -0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1gke h TYR 78 Cb 0.15 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1gke h TYR 78 CO 0.00 -0.45 0.26 -1.49 -1.64 0.00 0.00 178.16 174.84 1gke h TRP 79 N -0.94 0.32 -0.34 -3.82 -0.00 -1.27 -2.80 115.95 107.11 1gke h TRP 79 Ca -0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.76 1gke h TRP 79 Cb 0.60 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1gke h TRP 79 CO 0.05 0.18 -0.02 0.87 -0.00 0.00 0.00 178.44 179.52 1gke h LYS 80 N 0.33 0.61 0.00 0.49 1.57 -1.10 -2.31 116.57 116.15 1gke h LYS 80 Ca 0.17 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1gke h LYS 80 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gke h LYS 80 CO -0.04 0.75 -0.07 0.00 -0.57 0.00 0.00 179.45 179.52 1gke h ALA 81 N 0.84 1.77 0.00 3.86 0.00 -1.18 -1.80 119.26 122.76 1gke h ALA 81 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gke h ALA 81 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gke h ALA 81 CO 0.02 0.09 -0.20 -0.07 0.00 0.00 0.00 179.25 179.09 1gke h LEU 82 N 0.00 0.00 0.00 0.00 3.38 -1.56 -3.48 115.31 113.66 1gke h LEU 82 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1gke h LEU 82 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1gke h LEU 82 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1gke n GLY 83 N 1.30 2.95 3.74 0.83 0.00 -0.68 -5.07 105.19 108.26 1gke n GLY 83 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.63 2.54 -0.33 -0.61 -1.09 -0.88 -4.96 121.20 113.23 1gke s ILE 84 Ca 0.00 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1gke s ILE 84 Cb 0.00 -2.87 0.10 0.00 -1.58 0.00 0.00 42.46 38.11 1gke s ILE 84 CO 0.00 -0.13 0.06 -0.44 -1.23 0.00 0.00 174.94 173.19 1gke s SER 85 N -2.06 4.65 1.15 3.58 0.01 -1.26 -3.75 113.70 116.02 1gke s SER 85 Ca 0.73 -2.07 -0.17 0.00 1.31 0.00 0.00 55.95 55.75 1gke s SER 85 Cb -0.28 -1.51 0.26 0.00 0.21 0.00 0.00 66.02 64.70 1gke s SER 85 CO 0.42 -0.38 1.11 -2.16 0.41 0.00 0.00 173.24 172.64 1gke s PRO 86 N 1.01 -0.79 -0.10 12.44 0.04 -1.26 -4.97 135.00 141.38 1gke s PRO 86 Ca 0.11 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.17 1gke s PRO 86 Cb -0.19 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1gke s PRO 86 CO -0.11 -3.45 -0.15 0.34 0.04 0.00 0.00 177.00 173.67 1gke n PHE 87 N -4.61 0.00 -2.00 0.56 -0.00 -0.82 -5.02 117.46 105.57 1gke n PHE 87 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.22 1gke n PHE 87 Cb 0.59 -0.38 0.03 0.00 -0.00 0.00 0.00 39.48 39.71 1gke n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1gke s HIS 88 N -2.25 2.59 -0.17 -5.13 3.76 -1.26 -4.96 115.29 107.87 1gke s HIS 88 Ca -0.16 1.55 0.14 0.00 -0.15 0.00 0.00 55.06 56.44 1gke s HIS 88 Cb 0.05 -3.27 -0.24 0.00 1.11 0.00 0.00 32.58 30.24 1gke s HIS 88 CO 0.20 -1.74 0.16 0.39 -0.85 0.00 0.00 174.74 172.90 1gke n GLU 89 N -1.83 0.68 -3.97 1.40 -0.58 -1.26 -4.29 120.64 110.79 1gke n GLU 89 Ca 0.11 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.84 1gke n GLU 89 Cb 0.51 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.76 1gke n GLU 89 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1gke s TYR 90 N -2.52 0.33 -0.09 -0.32 2.02 -1.26 -3.42 117.35 112.09 1gke s TYR 90 Ca -0.13 -0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1gke s TYR 90 Cb 0.07 0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.97 1gke s TYR 90 CO 0.80 -1.11 -0.00 0.00 -1.57 0.00 0.00 175.55 173.67 1gke s ALA 91 N -3.72 0.81 -0.07 3.71 0.00 -0.34 -4.84 121.76 117.31 1gke s ALA 91 Ca 0.21 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1gke s ALA 91 Cb -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1gke s ALA 91 CO 0.10 -0.56 -0.19 -1.21 0.00 0.00 0.00 175.76 173.90 1gke s GLU 92 N 1.93 2.66 -0.37 0.00 2.02 -1.26 -0.46 118.70 123.23 1gke s GLU 92 Ca 0.04 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1gke s GLU 92 Cb -0.13 -2.32 0.09 0.00 0.10 0.00 0.00 34.13 31.87 1gke s GLU 92 CO -0.06 0.45 0.13 0.08 0.02 0.00 0.00 175.26 175.88 1gke s VAL 93 N -0.30 3.18 -0.27 2.63 1.01 0.36 -4.94 120.40 122.07 1gke s VAL 93 Ca 0.01 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 1gke s VAL 93 Cb -0.13 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1gke s VAL 93 CO 0.03 -0.47 0.10 -0.69 0.00 0.00 0.00 175.10 174.07 1gke s VAL 94 N 1.18 4.45 0.02 2.92 1.01 -1.26 -0.71 120.40 128.02 1gke s VAL 94 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1gke s VAL 94 Cb -0.21 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1gke s VAL 94 CO -0.03 0.23 0.14 0.72 0.00 0.00 0.00 175.10 176.16 1gke s PHE 95 N 1.62 0.10 0.22 5.22 -0.71 -1.03 -4.97 117.98 118.42 1gke s PHE 95 Ca 0.06 -0.29 -0.09 0.00 -1.04 0.00 0.00 56.93 55.56 1gke s PHE 95 Cb -0.16 -0.07 -0.07 0.00 -1.21 0.00 0.00 43.02 41.51 1gke s PHE 95 CO 0.05 -0.35 0.53 -0.08 -1.34 0.00 0.00 175.22 174.02 1gke s THR 96 N -2.12 4.97 0.05 -4.49 -1.32 -1.26 -0.06 115.64 111.41 1gke s THR 96 Ca -0.09 0.39 0.03 0.00 -1.21 0.00 0.00 61.69 60.80 1gke s THR 96 Cb -0.04 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1gke s THR 96 CO -0.02 -0.07 -0.09 0.00 -2.21 0.00 0.00 174.62 172.23 1gke s ALA 97 N -1.81 0.65 -0.90 11.08 0.00 0.58 -4.87 121.76 126.49 1gke s ALA 97 Ca 0.46 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1gke s ALA 97 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1gke s ALA 97 CO 0.22 0.01 0.00 0.09 0.00 0.00 0.00 175.76 176.08 1gke n ASN 98 N 1.45 -5.05 -2.23 0.00 3.02 -1.26 -1.45 115.26 109.74 1gke n ASN 98 Ca -0.23 0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 1gke n ASN 98 Cb 0.55 -3.29 -0.14 0.00 -0.61 0.00 0.00 39.78 36.28 1gke n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1gke n ASP 99 N -0.63 5.55 0.00 6.41 5.75 -1.26 -2.04 116.55 130.33 1gke n ASP 99 Ca -0.08 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1gke n ASP 99 Cb 0.45 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 1gke n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1gke n SER 100 N 2.71 0.00 0.00 -1.12 7.64 -1.26 -5.03 113.62 116.56 1gke n SER 100 Ca 0.47 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1gke n SER 100 Cb 0.77 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1gke n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gke n GLY 101 N 0.00 1.30 2.40 0.23 0.00 -0.87 -4.99 105.19 103.27 1gke n GLY 101 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1gke n GLY 101 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gke n HIS 102 N -0.03 -2.42 -2.08 1.61 -0.00 -1.22 -5.08 115.22 105.99 1gke n HIS 102 Ca 0.00 1.43 0.00 0.00 0.46 0.00 0.00 57.72 59.61 1gke n HIS 102 Cb 0.00 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.40 1gke n HIS 102 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1gke n ARG 103 N 2.00 3.85 -4.24 1.57 1.74 -1.26 -4.97 116.66 115.35 1gke n ARG 103 Ca -0.07 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.68 1gke n ARG 103 Cb 0.11 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.39 1gke n ARG 103 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gke s HIS 104 N 1.92 2.74 0.08 -1.55 3.76 -0.66 -4.79 115.29 116.79 1gke s HIS 104 Ca 0.00 -1.57 0.01 0.00 -0.15 0.00 0.00 55.06 53.35 1gke s HIS 104 Cb 0.00 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1gke s HIS 104 CO 0.00 -0.76 0.21 0.71 -0.85 0.00 0.00 174.74 174.05 1gke s TYR 105 N 1.19 3.46 -0.17 1.40 1.51 -0.89 -0.25 117.35 123.60 1gke s TYR 105 Ca 0.02 0.20 -0.06 0.00 -1.01 0.00 0.00 57.07 56.22 1gke s TYR 105 Cb -0.14 -1.72 0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1gke s TYR 105 CO -0.10 0.57 0.34 0.99 -1.11 0.00 0.00 175.55 176.24 1gke s THR 106 N -1.55 -0.54 -0.13 -0.71 2.01 -1.25 -2.79 115.64 110.68 1gke s THR 106 Ca 0.34 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 1gke s THR 106 Cb -0.12 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1gke s THR 106 CO 0.27 0.09 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.53 1gke s ILE 107 N 2.52 3.08 0.25 1.82 -1.09 -0.65 -2.00 121.20 125.12 1gke s ILE 107 Ca -0.00 -0.65 0.10 0.00 -2.23 0.00 0.00 60.65 57.86 1gke s ILE 107 Cb -0.12 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 1gke s ILE 107 CO -0.11 0.53 -0.05 0.00 -1.23 0.00 0.00 174.94 174.08 1gke s ALA 108 N 0.32 3.07 -0.16 9.38 0.00 -0.86 0.43 121.76 133.94 1gke s ALA 108 Ca -0.10 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.15 1gke s ALA 108 Cb -0.16 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.32 1gke s ALA 108 CO 0.06 0.31 0.35 0.00 0.00 0.00 0.00 175.76 176.48 1gke s ALA 109 N -2.21 -0.87 -0.26 0.00 0.00 0.46 -3.49 121.76 115.39 1gke s ALA 109 Ca 0.30 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.45 1gke s ALA 109 Cb -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1gke s ALA 109 CO 0.18 -0.51 0.12 -1.17 0.00 0.00 0.00 175.76 174.38 1gke s LEU 110 N 2.04 3.69 -0.12 0.00 2.96 -0.68 -0.57 118.68 126.00 1gke s LEU 110 Ca -0.04 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1gke s LEU 110 Cb -0.11 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1gke s LEU 110 CO -0.11 -0.03 0.15 -0.76 -1.32 0.00 0.00 176.35 174.28 1gke s LEU 111 N 1.60 4.39 0.10 -0.68 1.43 -0.96 -2.57 118.68 122.00 1gke s LEU 111 Ca 0.06 0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 1gke s LEU 111 Cb -0.15 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.02 1gke s LEU 111 CO 0.06 0.40 0.47 -0.55 0.23 0.00 0.00 176.35 176.96 1gke s SER 112 N -0.97 -0.35 0.19 2.29 0.15 -1.19 -0.42 113.70 113.40 1gke s SER 112 Ca 0.15 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 1gke s SER 112 Cb -0.12 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 64.84 1gke s SER 112 CO 0.04 -0.81 1.82 -0.65 1.20 0.00 0.00 173.24 174.84 1gke h PRO 113 N 2.49 0.69 -0.25 5.44 0.11 -1.98 -3.27 132.00 135.23 1gke h PRO 113 Ca -0.33 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1gke h PRO 113 Cb 1.25 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1gke h PRO 113 CO 0.43 0.46 -0.07 0.66 -0.21 0.00 0.00 178.00 179.27 1gke n TYR 114 N -4.75 0.82 -3.49 0.65 4.02 -1.26 -1.95 117.16 111.20 1gke n TYR 114 Ca 0.06 -1.28 0.03 0.00 -0.01 0.00 0.00 57.90 56.69 1gke n TYR 114 Cb 0.10 -0.37 -0.05 0.00 -0.02 0.00 0.00 39.34 38.99 1gke n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1gke s SER 115 N -2.44 -0.05 0.46 7.72 1.04 -1.23 -5.00 113.70 114.20 1gke s SER 115 Ca 0.42 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1gke s SER 115 Cb 0.37 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 67.47 1gke s SER 115 CO 0.03 -0.01 0.03 -0.72 0.98 0.00 0.00 173.24 173.55 1gke s TYR 116 N 1.38 2.20 -0.18 5.02 -0.85 -1.26 -3.20 117.35 120.46 1gke s TYR 116 Ca -0.05 -0.80 -0.09 0.00 -0.52 0.00 0.00 57.07 55.61 1gke s TYR 116 Cb -0.02 -1.72 0.06 0.00 0.38 0.00 0.00 41.96 40.67 1gke s TYR 116 CO -0.12 0.31 0.43 -1.12 -1.52 0.00 0.00 175.55 173.52 1gke s SER 117 N -3.82 -0.51 0.11 -0.18 0.01 -1.06 -4.98 113.70 103.28 1gke s SER 117 Ca 0.22 0.94 0.09 0.00 1.31 0.00 0.00 55.95 58.51 1gke s SER 117 Cb 0.05 0.87 -0.04 0.00 0.21 0.00 0.00 66.02 67.11 1gke s SER 117 CO 0.12 -0.20 -0.22 -0.89 0.41 0.00 0.00 173.24 172.46 1gke s THR 118 N 1.55 1.80 -0.14 1.44 2.01 -1.26 -1.68 115.64 119.36 1gke s THR 118 Ca -0.09 -1.61 -0.27 0.00 0.31 0.00 0.00 61.69 60.04 1gke s THR 118 Cb -0.09 -1.65 0.07 0.00 0.01 0.00 0.00 72.50 70.84 1gke s THR 118 CO -0.13 -0.06 0.66 0.28 -0.69 0.00 0.00 174.62 174.68 1gke s THR 119 N -1.22 0.00 0.31 -0.82 -1.32 -1.23 -5.02 115.64 106.34 1gke s THR 119 Ca 0.08 -0.03 0.09 0.00 -1.21 0.00 0.00 61.69 60.62 1gke s THR 119 Cb -0.10 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1gke s THR 119 CO 0.05 -0.02 0.08 0.00 -2.21 0.00 0.00 174.62 172.53 1gke s ALA 120 N -0.53 3.36 -0.34 11.08 0.00 -1.26 -2.02 121.76 132.05 1gke s ALA 120 Ca -0.06 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 1gke s ALA 120 Cb -0.02 -0.77 0.13 0.00 0.00 0.00 0.00 23.12 22.46 1gke s ALA 120 CO 0.06 0.14 0.19 0.08 0.00 0.00 0.00 175.76 176.23 1gke s VAL 121 N -2.37 0.16 -0.45 0.00 1.01 -0.85 -5.00 120.40 112.90 1gke s VAL 121 Ca 0.35 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.49 1gke s VAL 121 Cb -0.04 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1gke s VAL 121 CO 0.22 -0.93 1.43 -0.69 0.00 0.00 0.00 175.10 175.13 1gke s VAL 122 N 1.26 3.85 0.42 2.92 1.01 -1.26 -3.78 120.40 124.82 1gke s VAL 122 Ca 0.16 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.06 1gke s VAL 122 Cb -0.22 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1gke s VAL 122 CO -0.07 -0.85 0.56 -0.94 0.00 0.00 0.00 175.10 173.81 1gke s SER 123 N 4.20 5.64 -0.09 3.32 1.04 0.65 -4.96 113.70 123.50 1gke s SER 123 Ca 0.60 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 1gke s SER 123 Cb -0.13 -0.66 0.03 0.00 0.10 0.00 0.00 66.02 65.36 1gke s SER 123 CO 0.31 -0.76 -0.02 0.20 0.98 0.00 0.00 173.24 173.96 1gke s ASN 124 N -4.34 1.77 0.10 7.02 -0.87 -1.26 -1.66 114.94 115.70 1gke s ASN 124 Ca 0.55 -0.16 -0.17 0.00 -1.57 0.00 0.00 52.86 51.51 1gke s ASN 124 Cb -0.10 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.25 40.53 1gke s ASN 124 CO 0.33 -0.18 1.53 1.55 -2.57 0.00 0.00 177.10 177.75 1gke h PRO 125 N 8.29 0.53 -4.85 -0.60 0.13 -1.93 -3.39 132.00 130.18 1gke h PRO 125 Ca -0.22 -0.18 -0.68 0.00 -0.87 0.00 0.00 66.00 64.06 1gke h PRO 125 Cb 1.13 -0.04 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 1gke h PRO 125 CO 0.30 0.69 -0.75 -1.14 -0.23 0.00 0.00 178.00 176.87 1gke s GLN 126 N -4.94 2.53 0.00 0.86 2.00 -1.26 -5.19 119.66 113.66 1gke s GLN 126 Ca -0.13 -1.18 0.00 0.00 -2.00 0.00 0.00 55.36 52.05 1gke s GLN 126 Cb 0.08 -3.02 0.00 0.00 0.80 0.00 0.00 33.01 30.87 1gke s GLN 126 CO 0.77 -0.52 0.00 -1.71 -0.50 0.00 0.00 175.29 173.32