#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psy s GLU 2 N 0.00 0.76 -0.20 0.00 -1.05 -1.26 -5.18 118.70 111.77 1psy s GLU 2 Ca 0.00 0.08 -0.36 0.00 -0.15 0.00 0.00 54.97 54.54 1psy s GLU 2 Cb 0.00 0.35 0.14 0.00 -0.44 0.00 0.00 34.13 34.19 1psy s GLU 2 CO 0.00 -0.26 1.30 0.12 0.95 0.00 0.00 175.26 177.37 1psy s PHE 3 N -1.54 -0.06 0.00 4.83 5.36 -1.26 -5.18 117.98 120.12 1psy s PHE 3 Ca -0.03 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1psy s PHE 3 Cb -0.00 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.19 1psy s PHE 3 CO 0.01 -0.13 0.00 -0.12 -1.46 0.00 0.00 175.22 173.53 1psy n MET 4 N -0.14 0.00 -3.94 10.12 1.56 -1.26 -5.19 117.12 118.26 1psy n MET 4 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.34 1psy n MET 4 Cb 0.58 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.90 1psy n MET 4 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1psy s GLU 5 N -0.13 1.33 0.00 2.12 4.04 -1.26 -5.17 118.70 119.63 1psy s GLU 5 Ca 0.00 -1.16 0.00 0.00 0.04 0.00 0.00 54.97 53.85 1psy s GLU 5 Cb 0.00 0.43 0.00 0.00 0.02 0.00 0.00 34.13 34.58 1psy s GLU 5 CO 0.00 -0.53 0.00 -1.13 -1.84 0.00 0.00 175.26 171.76 1psy n SER 6 N -0.30 0.00 0.00 0.83 3.41 -1.26 -5.19 113.62 111.11 1psy n SER 6 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1psy n SER 6 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1psy n SER 6 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1psy n LYS 7 N -0.62 0.00 0.00 4.33 5.02 -1.26 -5.16 118.16 120.47 1psy n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1psy n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1psy n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1psy n GLY 8 N -0.32 2.52 3.56 0.72 0.00 -1.26 -5.19 105.19 105.23 1psy n GLY 8 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1psy n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1psy s GLU 9 N -1.22 0.73 0.25 1.61 -6.30 -1.26 -5.09 118.70 107.42 1psy s GLU 9 Ca 0.00 0.22 -0.15 0.00 -2.50 0.00 0.00 54.97 52.54 1psy s GLU 9 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 34.13 34.48 1psy s GLU 9 CO 0.00 -0.22 0.53 0.50 0.02 0.00 0.00 175.26 176.09 1psy s ARG 10 N -1.04 1.58 0.00 4.30 3.00 -1.26 -5.19 118.95 120.34 1psy s ARG 10 Ca -0.04 -1.15 0.00 0.00 -1.00 0.00 0.00 55.73 53.54 1psy s ARG 10 Cb -0.01 0.51 0.00 0.00 0.00 0.00 0.00 34.95 35.45 1psy s ARG 10 CO 0.04 -0.67 0.00 -1.91 0.00 0.00 0.00 175.30 172.75 1psy n GLU 11 N -0.39 0.00 -2.55 5.12 0.00 -1.26 -4.86 120.64 116.69 1psy n GLU 11 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.12 1psy n GLU 11 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1psy n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1psy n GLY 12 N 0.00 -0.99 0.00 8.31 0.00 -1.26 -4.97 105.19 106.28 1psy n GLY 12 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1psy n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1psy n SER 13 N -1.30 0.00 -4.71 1.61 2.88 -1.26 -5.16 113.62 105.69 1psy n SER 13 Ca 0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.20 1psy n SER 13 Cb 0.46 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.01 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 14 N 0.00 1.65 -3.09 -3.46 3.41 -1.26 -4.95 113.62 105.92 1psy n SER 14 Ca 0.00 0.76 -0.15 0.00 -0.26 0.00 0.00 58.87 59.22 1psy n SER 14 Cb 0.00 -1.53 0.14 0.00 -0.26 0.00 0.00 64.21 62.56 1psy n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 15 N -2.19 -2.78 -0.30 4.04 2.88 -1.26 -4.88 113.62 109.13 1psy n SER 15 Ca 0.15 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1psy n SER 15 Cb 0.49 -0.49 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 1psy n SER 15 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1psy h GLN 16 N 0.00 0.90 0.00 -1.46 5.75 -2.02 -3.39 115.11 114.90 1psy h GLN 16 Ca -0.20 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1psy h GLN 16 Cb 0.65 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1psy h GLN 16 CO 0.12 0.60 -0.05 0.94 -2.65 0.00 0.00 178.83 177.79 1psy n GLN 17 N -4.64 0.28 0.14 1.69 7.27 -1.26 -4.98 117.38 115.88 1psy n GLN 17 Ca 0.12 -0.27 0.02 0.00 0.07 0.00 0.00 57.00 56.94 1psy n GLN 17 Cb 0.18 0.09 0.10 0.00 2.41 0.00 0.00 30.24 33.01 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1psy n ARG 19 N -3.33 -0.08 -0.05 0.00 0.63 -1.26 0.73 116.66 113.29 1psy n ARG 19 Ca 0.01 1.52 -0.10 0.00 -0.92 0.00 0.00 57.85 58.36 1psy n ARG 19 Cb 0.69 -2.35 -0.04 0.00 0.45 0.00 0.00 32.46 31.21 1psy n ARG 19 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1psy h GLN 20 N 0.00 -0.36 0.00 -0.14 3.07 -1.95 0.42 115.11 116.15 1psy h GLN 20 Ca 0.55 0.02 -0.09 0.00 0.09 0.00 0.00 58.65 59.23 1psy h GLN 20 Cb 1.04 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 1psy h GLN 20 CO -0.97 -0.24 -0.41 0.93 0.09 0.00 0.00 178.83 178.23 1psy h GLU 21 N -0.37 0.00 -0.31 0.06 4.39 0.08 -3.22 114.58 115.21 1psy h GLU 21 Ca 0.12 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 1psy h GLU 21 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1psy h GLU 21 CO -0.45 0.41 -0.44 0.28 -1.16 0.00 0.00 179.01 177.64 1psy h VAL 22 N 0.00 1.28 -0.05 3.13 2.07 0.39 -2.60 116.25 120.48 1psy h VAL 22 Ca -0.00 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 1psy h VAL 22 Cb 0.89 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1psy h VAL 22 CO 0.05 0.53 0.04 0.00 0.02 0.00 0.00 177.57 178.21 1psy n GLN 23 N -4.03 1.07 0.00 1.57 6.02 0.14 -3.22 117.38 118.94 1psy n GLN 23 Ca -0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1psy n GLN 23 Cb 0.56 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1psy n GLN 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1psy n ARG 24 N 1.18 0.00 0.00 -1.09 1.74 -1.05 -5.00 116.66 112.44 1psy n ARG 24 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1psy n ARG 24 Cb 0.52 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1psy n ARG 24 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1psy n LYS 25 N -1.98 0.00 -1.47 5.56 0.00 -1.00 -4.94 118.16 114.32 1psy n LYS 25 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.31 57.83 1psy n LYS 25 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1psy n ASP 26 N -2.10 -0.30 0.00 -5.58 9.92 -1.22 -3.60 116.55 113.67 1psy n ASP 26 Ca 0.00 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1psy n ASP 26 Cb 0.00 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 1psy n ASP 26 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1psy n LEU 27 N 1.75 0.00 -1.88 0.64 7.99 -1.26 -4.54 117.00 119.70 1psy n LEU 27 Ca 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.17 1psy n LEU 27 Cb 0.26 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.59 1psy n LEU 27 CO 0.58 0.00 0.10 -0.24 -1.51 0.00 0.00 177.39 176.31 1psy n SER 28 N 0.00 0.85 0.00 -1.43 2.88 -1.24 -4.36 113.62 110.33 1psy n SER 28 Ca 0.00 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1psy n SER 28 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1psy n SER 28 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1psy n SER 29 N 0.05 0.00 -0.10 -3.46 2.88 -1.26 -4.86 113.62 106.87 1psy n SER 29 Ca 0.02 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.50 1psy n SER 29 Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 1psy n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy h GLU 31 N -0.04 0.10 -0.14 0.00 4.22 -1.90 -2.88 114.58 113.95 1psy h GLU 31 Ca 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1psy h GLU 31 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1psy h GLU 31 CO -0.37 0.77 -0.01 -0.09 -2.18 0.00 0.00 179.01 177.13 1psy h ARG 32 N 0.07 0.21 -0.21 1.92 2.43 -1.39 -1.30 114.38 116.10 1psy h ARG 32 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1psy h ARG 32 Cb 1.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1psy h ARG 32 CO 0.10 0.24 0.14 -0.92 -1.51 0.00 0.00 179.97 178.02 1psy h TYR 33 N 0.21 0.27 0.00 2.20 3.20 0.04 0.10 116.97 122.99 1psy h TYR 33 Ca 0.05 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1psy h TYR 33 Cb 0.16 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1psy h TYR 33 CO 0.00 0.18 -0.31 1.37 -1.64 0.00 0.00 178.16 177.76 1psy h LEU 34 N 0.28 0.00 -0.43 2.82 8.10 -1.56 -2.99 115.31 121.53 1psy h LEU 34 Ca 0.08 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.98 1psy h LEU 34 Cb -0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 1psy h LEU 34 CO -0.02 0.31 -0.09 -0.09 -4.11 0.00 0.00 178.44 174.44 1psy h ARG 35 N 0.00 0.82 0.00 0.17 2.43 -0.33 -3.45 114.38 114.02 1psy h ARG 35 Ca -0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1psy h ARG 35 Cb 1.01 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1psy h ARG 35 CO 0.04 0.93 0.00 1.04 -1.51 0.00 0.00 179.97 180.47 1psy n GLN 36 N -4.31 0.26 0.00 0.20 6.02 0.27 -5.07 117.38 114.75 1psy n GLN 36 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1psy n GLN 36 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1psy n SER 37 N -1.84 0.00 -2.70 1.08 2.88 -1.26 -4.98 113.62 106.79 1psy n SER 37 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1psy n SER 37 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1psy n SER 37 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 38 N 0.00 5.56 -3.65 -3.46 3.41 -1.26 -4.85 113.62 109.37 1psy n SER 38 Ca 0.00 -3.75 -0.15 0.00 -0.26 0.00 0.00 58.87 54.72 1psy n SER 38 Cb 0.00 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 1psy n SER 38 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1psy s SER 39 N -2.78 -0.38 -1.18 4.04 1.04 -1.26 -5.08 113.70 108.10 1psy s SER 39 Ca 0.49 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 1psy s SER 39 Cb 0.39 0.42 0.17 0.00 0.10 0.00 0.00 66.02 67.10 1psy s SER 39 CO -0.24 -0.56 1.41 -0.60 0.98 0.00 0.00 173.24 174.22 1psy s ARG 40 N -1.58 4.05 0.24 4.02 3.52 -1.26 -4.99 118.95 122.94 1psy s ARG 40 Ca -0.11 -2.51 -0.32 0.00 -0.13 0.00 0.00 55.73 52.67 1psy s ARG 40 Cb -0.02 -5.05 -0.12 0.00 -1.56 0.00 0.00 34.95 28.19 1psy s ARG 40 CO 0.04 -1.77 1.59 -2.13 -0.81 0.00 0.00 175.30 172.23 1psy n ARG 41 N 5.74 2.49 -3.64 5.12 3.00 -1.26 -4.97 116.66 123.14 1psy n ARG 41 Ca 0.36 0.89 -0.06 0.00 -0.00 0.00 0.00 57.85 59.04 1psy n ARG 41 Cb 0.43 -2.67 -0.07 0.00 0.00 0.00 0.00 32.46 30.16 1psy n ARG 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1psy s SER 42 N 0.71 -0.43 0.00 6.15 0.01 -1.26 -5.03 113.70 113.85 1psy s SER 42 Ca 0.71 0.76 0.19 0.00 1.31 0.00 0.00 55.95 58.92 1psy s SER 42 Cb -0.56 0.93 0.59 0.00 0.21 0.00 0.00 66.02 67.19 1psy s SER 42 CO 0.42 -0.13 1.46 0.41 0.41 0.00 0.00 173.24 175.82 1psy n THR 43 N 2.71 0.35 0.00 1.44 -1.04 -1.26 -4.82 114.28 111.66 1psy n THR 43 Ca -0.15 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1psy n THR 43 Cb 0.57 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.54 1psy n THR 43 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1psy n GLY 44 N 1.21 0.76 1.57 3.41 0.00 -1.26 -5.09 105.19 105.78 1psy n GLY 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1psy n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 45 N 0.00 0.00 -3.68 1.61 2.13 -1.26 -5.09 120.64 114.34 1psy n GLU 45 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1psy n GLU 45 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 1psy n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1psy s GLU 46 N -1.94 0.41 -0.13 5.31 2.12 -1.26 -4.99 118.70 118.22 1psy s GLU 46 Ca 0.00 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.08 1psy s GLU 46 Cb 0.00 -1.99 0.29 0.00 0.26 0.00 0.00 34.13 32.70 1psy s GLU 46 CO 0.00 -0.66 1.14 1.55 -0.54 0.00 0.00 175.26 176.74 1psy n VAL 47 N 5.14 1.39 -2.67 3.70 3.14 -1.26 -4.47 118.33 123.31 1psy n VAL 47 Ca -0.08 -0.62 -0.37 0.00 -2.96 0.00 0.00 64.34 60.31 1psy n VAL 47 Cb 0.48 -0.57 0.01 0.00 -1.06 0.00 0.00 33.84 32.69 1psy n VAL 47 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1psy n LEU 48 N 0.09 6.64 -1.39 6.55 4.77 -1.26 -4.65 117.00 127.74 1psy n LEU 48 Ca 0.16 -5.43 -0.00 0.00 -0.03 0.00 0.00 56.01 50.71 1psy n LEU 48 Cb 0.76 -1.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.11 1psy n LEU 48 CO 0.17 2.11 0.84 -1.14 -1.33 0.00 0.00 177.39 178.04 1psy n ARG 49 N -0.14 2.97 -4.01 3.23 0.00 -1.26 -4.99 116.66 112.45 1psy n ARG 49 Ca 0.43 -3.02 -0.08 0.00 -0.00 0.00 0.00 57.85 55.18 1psy n ARG 49 Cb 0.30 -1.99 -0.09 0.00 0.00 0.00 0.00 32.46 30.68 1psy n ARG 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1psy s MET 50 N -3.00 0.79 -1.18 -0.14 -1.94 -1.26 -5.06 119.30 107.51 1psy s MET 50 Ca 0.48 -1.17 -0.16 0.00 -1.71 0.00 0.00 55.69 53.13 1psy s MET 50 Cb 0.40 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 37.46 1psy s MET 50 CO 0.09 -0.21 2.16 -0.35 -0.01 0.00 0.00 175.02 176.69 1psy n PRO 51 N -0.01 2.36 -0.87 2.03 -0.04 -1.26 -4.55 135.00 132.66 1psy n PRO 51 Ca -0.12 -2.23 0.04 0.00 -0.04 0.00 0.00 63.50 61.15 1psy n PRO 51 Cb 0.62 -3.07 0.36 0.00 -0.04 0.00 0.00 33.50 31.37 1psy n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1psy n GLY 52 N 4.21 3.34 0.28 0.55 0.00 -1.26 -4.60 105.19 107.70 1psy n GLY 52 Ca 0.52 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1psy n GLY 52 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1psy h ASP 53 N 3.35 0.42 -0.33 1.61 1.82 -2.03 -2.93 116.42 118.32 1psy h ASP 53 Ca 0.07 0.09 -0.71 0.00 -0.39 0.00 0.00 57.03 56.09 1psy h ASP 53 Cb 2.00 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 41.99 1psy h ASP 53 CO 0.52 0.20 3.11 -0.62 -1.61 0.00 0.00 179.24 180.84 1psy n GLU 54 N -4.91 3.41 -4.39 0.28 -0.58 -1.26 -4.90 120.64 108.28 1psy n GLU 54 Ca 0.14 -2.71 -0.28 0.00 -0.42 0.00 0.00 57.16 53.89 1psy n GLU 54 Cb 0.37 -3.02 -0.12 0.00 -0.57 0.00 0.00 31.44 28.10 1psy n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1psy s ASN 55 N 2.23 3.48 0.12 1.62 4.22 -1.11 -5.06 114.94 120.44 1psy s ASN 55 Ca 0.53 -0.78 -0.35 0.00 -2.14 0.00 0.00 52.86 50.12 1psy s ASN 55 Cb 0.15 -0.29 -0.16 0.00 1.28 0.00 0.00 41.25 42.23 1psy s ASN 55 CO -0.07 0.15 1.29 1.67 -2.04 0.00 0.00 177.10 178.10 1psy n GLN 56 N 0.53 1.22 -3.77 3.55 0.00 -1.26 -4.96 117.38 112.69 1psy n GLN 56 Ca -0.15 0.44 -0.25 0.00 -0.00 0.00 0.00 57.00 57.05 1psy n GLN 56 Cb 0.55 -2.04 -0.17 0.00 0.00 0.00 0.00 30.24 28.57 1psy n GLN 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1psy s GLN 57 N 0.20 0.69 0.00 3.69 0.74 -1.26 -4.52 119.66 119.19 1psy s GLN 57 Ca 0.80 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 56.15 1psy s GLN 57 Cb -0.90 -1.33 0.00 0.00 1.10 0.00 0.00 33.01 31.88 1psy s GLN 57 CO 0.48 -0.39 0.00 0.94 -0.55 0.00 0.00 175.29 175.77 1psy n GLN 58 N 5.11 0.00 -2.39 1.67 7.27 -1.26 -4.98 117.38 122.79 1psy n GLN 58 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.98 1psy n GLN 58 Cb 0.49 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.20 1psy n GLN 58 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1psy n GLU 59 N 0.00 1.17 -2.68 3.69 0.28 -1.26 -4.92 120.64 116.92 1psy n GLU 59 Ca 0.00 -2.36 -0.05 0.00 -0.16 0.00 0.00 57.16 54.59 1psy n GLU 59 Cb 0.00 -0.55 0.08 0.00 1.43 0.00 0.00 31.44 32.40 1psy n GLU 59 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1psy n SER 60 N -0.64 -1.62 0.19 -1.84 3.41 -1.26 -4.99 113.62 106.87 1psy n SER 60 Ca -0.04 -2.16 0.04 0.00 -0.26 0.00 0.00 58.87 56.45 1psy n SER 60 Cb 0.87 1.06 0.35 0.00 -0.26 0.00 0.00 64.21 66.22 1psy n SER 60 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1psy h GLN 61 N 3.10 0.00 -0.02 4.33 3.07 -1.92 -2.91 115.11 120.76 1psy h GLN 61 Ca -0.23 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.38 1psy h GLN 61 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 1psy h GLN 61 CO -0.05 0.40 -0.58 1.96 0.09 0.00 0.00 178.83 180.65 1psy h GLN 62 N 0.00 0.06 -0.12 0.06 4.20 -1.94 -2.88 115.11 114.48 1psy h GLN 62 Ca -0.00 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1psy h GLN 62 Cb 0.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1psy h GLN 62 CO 0.05 0.62 0.33 -0.07 -0.67 0.00 0.00 178.83 179.09 1psy h LEU 63 N 0.04 0.00 -1.60 1.46 4.07 -1.88 0.11 115.31 117.51 1psy h LEU 63 Ca -0.01 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.27 1psy h LEU 63 Cb 1.04 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.70 1psy h LEU 63 CO 0.08 0.00 0.77 -0.61 -1.08 0.00 0.00 178.44 177.60 1psy h GLN 64 N 0.00 0.20 -0.20 1.13 4.15 -1.65 0.28 115.11 119.03 1psy h GLN 64 Ca 0.06 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 1psy h GLN 64 Cb 0.72 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1psy h GLN 64 CO -0.00 0.14 -0.38 1.96 -1.93 0.00 0.00 178.83 178.61 1psy h GLN 65 N 0.21 0.44 0.02 1.69 7.50 -1.01 0.12 115.11 124.08 1psy h GLN 65 Ca 0.62 -0.21 -0.00 0.00 0.50 0.00 0.00 58.65 59.55 1psy h GLN 65 Cb 1.94 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.46 1psy h GLN 65 CO -0.20 0.76 -0.01 0.00 -1.50 0.00 0.00 178.83 177.88 1psy h ASN 68 N 0.10 0.00 -0.13 0.00 -1.24 -0.84 0.13 115.58 113.59 1psy h ASN 68 Ca 0.04 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 1psy h ASN 68 Cb 0.02 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.07 1psy h ASN 68 CO -0.04 0.00 -0.52 1.56 -1.29 0.00 0.00 177.43 177.14 1psy h GLN 69 N 0.00 0.58 0.00 6.67 1.08 0.83 -3.09 115.11 121.18 1psy h GLN 69 Ca 0.01 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1psy h GLN 69 Cb 0.04 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1psy h GLN 69 CO -0.00 1.07 0.00 0.28 -0.95 0.00 0.00 178.83 179.23 1psy n VAL 70 N -4.20 0.68 0.48 -0.54 0.31 0.73 -1.66 118.33 114.13 1psy n VAL 70 Ca -0.07 -0.12 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1psy n VAL 70 Cb 0.61 -0.78 0.46 0.00 -0.91 0.00 0.00 33.84 33.22 1psy n VAL 70 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1psy n LYS 71 N -2.28 0.21 -0.00 5.55 4.81 0.36 -2.04 118.16 124.77 1psy n LYS 71 Ca 0.04 0.35 0.13 0.00 -0.87 0.00 0.00 58.31 57.96 1psy n LYS 71 Cb 0.36 -1.84 0.24 0.00 0.02 0.00 0.00 35.03 33.81 1psy n LYS 71 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1psy n GLN 72 N -2.24 2.11 -1.14 1.64 1.13 -0.66 -4.97 117.38 113.25 1psy n GLN 72 Ca 0.03 -1.62 -0.30 0.00 -1.94 0.00 0.00 57.00 53.18 1psy n GLN 72 Cb 0.30 -1.47 0.15 0.00 0.11 0.00 0.00 30.24 29.33 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1psy s VAL 73 N -1.99 2.55 -0.01 5.09 0.11 -0.87 -4.52 120.40 120.75 1psy s VAL 73 Ca 0.31 0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1psy s VAL 73 Cb 0.20 -2.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.44 1psy s VAL 73 CO 0.31 -0.23 0.07 0.03 -3.33 0.00 0.00 175.10 171.95 1psy h ARG 74 N -1.66 -0.01 0.00 1.54 2.47 -1.92 -3.49 114.38 111.32 1psy h ARG 74 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1psy h ARG 74 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1psy h ARG 74 CO 0.54 -0.01 0.00 -0.25 0.56 0.00 0.00 179.97 180.81 1psy n ASP 75 N -2.33 0.00 -0.13 7.04 9.92 -1.26 -4.95 116.55 124.84 1psy n ASP 75 Ca -0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 1psy n ASP 75 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1psy n GLU 76 N 0.00 1.61 0.00 -1.24 0.00 -1.26 -0.89 120.64 118.86 1psy n GLU 76 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 57.16 56.69 1psy n GLU 76 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 31.44 30.50 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1psy h GLN 78 N 1.96 1.02 0.16 0.00 3.07 -1.95 0.39 115.11 119.76 1psy h GLN 78 Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1psy h GLN 78 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1psy h GLN 78 CO 0.00 0.90 -0.08 0.00 0.09 0.00 0.00 178.83 179.74 1psy h GLU 80 N -1.05 0.15 -0.51 0.00 4.57 -1.79 0.17 114.58 116.12 1psy h GLU 80 Ca -0.02 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1psy h GLU 80 Cb 0.17 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 1psy h GLU 80 CO 0.04 0.10 0.04 0.00 -1.18 0.00 0.00 179.01 178.00 1psy h ALA 81 N 1.49 0.52 -0.99 2.92 0.00 -0.90 0.16 119.26 122.45 1psy h ALA 81 Ca 0.66 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.81 1psy h ALA 81 Cb 2.21 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 20.14 1psy h ALA 81 CO -0.19 -0.36 0.63 0.82 0.00 0.00 0.00 179.25 180.14 1psy h ILE 82 N 0.16 0.96 0.00 0.00 1.08 -0.65 0.29 117.51 119.34 1psy h ILE 82 Ca 0.26 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1psy h ILE 82 Cb 0.39 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1psy h ILE 82 CO -0.40 0.19 0.00 0.29 -0.69 0.00 0.00 178.15 177.54 1psy n LYS 83 N -4.60 0.02 -0.05 2.37 4.01 0.45 -0.33 118.16 120.03 1psy n LYS 83 Ca 0.18 0.32 -0.04 0.00 -0.51 0.00 0.00 58.31 58.25 1psy n LYS 83 Cb 0.31 -1.54 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 1psy n LYS 83 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1psy n TYR 84 N -1.57 0.24 0.02 2.13 9.36 0.19 -4.45 117.16 123.08 1psy n TYR 84 Ca 0.03 0.10 -0.12 0.00 3.32 0.00 0.00 57.90 61.23 1psy n TYR 84 Cb 0.14 -0.40 -0.09 0.00 -0.63 0.00 0.00 39.34 38.36 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1psy h ILE 85 N -0.56 1.13 0.00 2.97 6.09 -0.54 0.10 117.51 126.69 1psy h ILE 85 Ca 0.00 -1.28 -0.12 0.00 -1.37 0.00 0.00 64.86 62.09 1psy h ILE 85 Cb 0.43 1.90 -0.04 0.00 0.47 0.00 0.00 36.82 39.58 1psy h ILE 85 CO 0.00 0.29 -0.16 0.00 -3.07 0.00 0.00 178.15 175.21 1psy n ALA 86 N -2.50 4.84 0.04 0.18 0.00 0.55 -2.89 120.51 120.73 1psy n ALA 86 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1psy n ALA 86 Cb 0.29 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1psy n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1psy n GLU 87 N 2.38 0.00 -0.36 0.00 0.00 -1.23 -4.68 120.64 116.75 1psy n GLU 87 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.39 1psy n GLU 87 Cb 0.65 0.00 0.10 0.00 0.00 0.00 0.00 31.44 32.19 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1psy h ASP 88 N 0.00 1.14 -0.20 4.31 3.58 -0.96 0.14 116.42 124.43 1psy h ASP 88 Ca 0.00 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1psy h ASP 88 Cb 0.00 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1psy h ASP 88 CO 0.00 0.86 0.04 0.06 -2.88 0.00 0.00 179.24 177.32 1psy h GLN 89 N 1.31 0.43 -0.99 0.28 -0.00 -1.73 0.30 115.11 114.70 1psy h GLN 89 Ca 0.34 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.93 1psy h GLN 89 Cb -0.07 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.48 27.29 1psy h GLN 89 CO -0.07 0.43 0.66 0.82 -0.00 0.00 0.00 178.83 180.67 1psy h ILE 90 N 0.42 1.24 0.00 1.86 2.04 -0.98 0.42 117.51 122.51 1psy h ILE 90 Ca 0.10 -0.46 -0.16 0.00 1.00 0.00 0.00 64.86 65.34 1psy h ILE 90 Cb 0.23 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1psy h ILE 90 CO 0.00 0.24 -0.87 1.56 0.00 0.00 0.00 178.15 179.09 1psy h GLN 91 N 1.33 0.00 0.18 2.37 4.20 -1.05 -3.22 115.11 118.91 1psy h GLN 91 Ca 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 1psy h GLN 91 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1psy h GLN 91 CO -0.09 0.63 -0.08 0.37 -0.67 0.00 0.00 178.83 178.99 1psy h GLN 92 N 0.00 -0.23 0.00 1.46 4.15 0.32 -3.47 115.11 117.35 1psy h GLN 92 Ca -0.05 0.02 -0.23 0.00 0.77 0.00 0.00 58.65 59.15 1psy h GLN 92 Cb 1.58 0.05 0.12 0.00 0.21 0.00 0.00 27.48 29.44 1psy h GLN 92 CO 0.08 0.00 0.06 0.41 -1.93 0.00 0.00 178.83 177.46 1psy n GLY 93 N 1.04 -2.71 2.01 2.39 0.00 0.14 -4.92 105.19 103.13 1psy n GLY 93 Ca -0.05 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 1psy n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1psy n GLN 94 N -3.53 1.86 -0.11 1.61 6.02 -1.26 -4.29 117.38 117.67 1psy n GLN 94 Ca 0.09 -1.39 0.07 0.00 -0.01 0.00 0.00 57.00 55.77 1psy n GLN 94 Cb 0.35 -1.72 0.26 0.00 1.02 0.00 0.00 30.24 30.15 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1psy n LEU 95 N 1.10 1.48 0.00 1.08 7.99 -1.22 -4.85 117.00 122.59 1psy n LEU 95 Ca 0.32 -0.69 -0.25 0.00 -0.01 0.00 0.00 56.01 55.38 1psy n LEU 95 Cb 0.62 -0.14 0.17 0.00 -0.11 0.00 0.00 43.42 43.95 1psy n LEU 95 CO 0.25 0.34 0.73 1.41 -1.51 0.00 0.00 177.39 178.61 1psy n HIS 96 N 0.25 -3.79 0.00 -1.77 8.25 -1.25 -1.63 115.22 115.27 1psy n HIS 96 Ca 0.13 -1.17 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 1psy n HIS 96 Cb 0.27 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1psy n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1psy n GLY 97 N -2.62 2.22 2.66 -1.41 0.00 -1.26 -3.74 105.19 101.04 1psy n GLY 97 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1psy n GLY 97 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 98 N 0.00 0.18 -0.86 1.61 2.13 -1.26 -5.00 120.64 117.43 1psy n GLU 98 Ca 0.00 -0.72 -0.03 0.00 0.66 0.00 0.00 57.16 57.08 1psy n GLU 98 Cb 0.00 -0.09 -0.03 0.00 0.27 0.00 0.00 31.44 31.59 1psy n GLU 98 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1psy n GLU 99 N 0.00 0.00 0.04 5.31 0.28 -1.25 -4.90 120.64 120.13 1psy n GLU 99 Ca -0.16 -0.82 -0.20 0.00 -0.16 0.00 0.00 57.16 55.82 1psy n GLU 99 Cb 0.71 0.17 -0.14 0.00 1.43 0.00 0.00 31.44 33.60 1psy n GLU 99 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1psy h SER 100 N 0.14 0.43 0.22 -1.84 0.87 -1.59 -3.33 113.55 108.45 1psy h SER 100 Ca -0.28 -0.76 -0.15 0.00 -1.23 0.00 0.00 61.79 59.36 1psy h SER 100 Cb 1.35 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1psy h SER 100 CO -0.11 1.66 -0.59 -0.08 -0.53 0.00 0.00 176.83 177.18 1psy h GLU 101 N 0.07 0.37 0.00 2.24 4.81 -1.90 -1.50 114.58 118.68 1psy h GLU 101 Ca -0.35 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 1psy h GLU 101 Cb 2.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1psy h GLU 101 CO 0.13 0.86 -0.04 0.07 -0.73 0.00 0.00 179.01 179.30 1psy h ARG 102 N 0.28 0.00 0.00 1.92 -0.00 -1.92 -0.45 114.38 114.21 1psy h ARG 102 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.84 1psy h ARG 102 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.06 1psy h ARG 102 CO 0.10 0.04 -0.71 0.28 -0.00 0.00 0.00 179.97 179.68 1psy h VAL 103 N 0.00 1.07 -0.60 0.08 2.07 -1.39 -3.16 116.25 114.32 1psy h VAL 103 Ca -0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 1psy h VAL 103 Cb 0.12 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1psy h VAL 103 CO 0.01 0.61 0.35 0.00 0.02 0.00 0.00 177.57 178.55 1psy h ALA 104 N 1.35 0.76 -0.18 1.67 0.00 -0.79 -0.83 119.26 121.24 1psy h ALA 104 Ca -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1psy h ALA 104 Cb 1.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1psy h ALA 104 CO 0.08 0.26 -0.39 -0.56 0.00 0.00 0.00 179.25 178.64 1psy h GLN 105 N 0.81 0.41 0.51 0.00 3.07 -1.64 -3.03 115.11 115.23 1psy h GLN 105 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1psy h GLN 105 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1psy h GLN 105 CO -0.04 0.74 -0.25 -0.09 0.09 0.00 0.00 178.83 179.28 1psy h ARG 106 N 0.34 -0.67 -0.86 0.06 9.65 -1.16 -2.36 114.38 119.38 1psy h ARG 106 Ca 0.03 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.07 1psy h ARG 106 Cb 0.84 0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 29.50 1psy h ARG 106 CO 0.07 -0.44 0.56 0.00 2.80 0.00 0.00 179.97 182.95 1psy h ALA 107 N -0.19 1.74 -1.21 2.80 0.00 -1.24 0.21 119.26 121.38 1psy h ALA 107 Ca -0.07 0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.19 1psy h ALA 107 Cb 0.53 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1psy h ALA 107 CO 0.11 0.06 0.82 0.78 0.00 0.00 0.00 179.25 181.02 1psy h GLY 108 N 0.77 0.70 0.39 0.00 0.00 -1.30 0.03 103.07 103.66 1psy h GLY 108 Ca 0.41 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1psy h GLY 108 CO -0.18 -0.12 -0.23 0.83 0.00 0.00 0.00 176.54 176.84 1psy h GLU 109 N 0.17 -0.31 0.00 4.80 5.08 -0.47 0.13 114.58 123.97 1psy h GLU 109 Ca 0.65 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.89 1psy h GLU 109 Cb 2.13 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.43 1psy h GLU 109 CO -0.19 -0.21 -0.67 0.82 -1.00 0.00 0.00 179.01 177.76 1psy h ILE 110 N -0.32 1.42 -0.07 3.13 1.08 -1.17 -2.97 117.51 118.60 1psy h ILE 110 Ca 0.08 -2.35 0.03 0.00 -0.39 0.00 0.00 64.86 62.22 1psy h ILE 110 Cb 0.44 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 1psy h ILE 110 CO -0.25 0.66 -0.09 0.58 -0.69 0.00 0.00 178.15 178.36 1psy h VAL 111 N 0.00 0.75 -0.19 1.67 2.07 -0.51 0.12 116.25 120.17 1psy h VAL 111 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1psy h VAL 111 Cb 1.24 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1psy h VAL 111 CO 0.09 0.00 0.23 0.77 0.02 0.00 0.00 177.57 178.68 1psy h SER 112 N -0.12 0.00 0.00 0.57 4.64 -0.62 -0.76 113.55 117.27 1psy h SER 112 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1psy h SER 112 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1psy h SER 112 CO -0.14 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.58 1psy n SER 113 N -3.68 0.00 -2.40 4.97 2.88 -0.11 -4.84 113.62 110.44 1psy n SER 113 Ca 0.02 0.11 -0.01 0.00 -1.33 0.00 0.00 58.87 57.66 1psy n SER 113 Cb 0.35 -0.06 0.06 0.00 -0.75 0.00 0.00 64.21 63.81 1psy n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy n GLY 115 N -0.63 3.60 3.55 0.00 0.00 -0.52 -4.36 105.19 106.83 1psy n GLY 115 Ca -0.04 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1psy n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1psy s VAL 116 N -2.04 3.35 0.00 1.61 0.11 -0.41 -4.38 120.40 118.64 1psy s VAL 116 Ca 0.26 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1psy s VAL 116 Cb 0.24 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1psy s VAL 116 CO -0.01 -0.84 0.00 0.54 -3.33 0.00 0.00 175.10 171.45 1psy n ARG 117 N 9.08 0.00 0.00 1.54 3.00 -1.26 -4.79 116.66 124.23 1psy n ARG 117 Ca 0.28 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 58.24 1psy n ARG 117 Cb 0.51 0.00 0.26 0.00 0.00 0.00 0.00 32.46 33.23 1psy n ARG 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n MET 119 N 0.65 2.21 0.17 0.00 0.00 -1.26 -4.73 117.12 114.16 1psy n MET 119 Ca 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 57.70 56.03 1psy n MET 119 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1psy n MET 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1psy n ARG 120 N 1.05 0.00 -0.75 2.12 0.63 -1.25 -4.83 116.66 113.62 1psy n ARG 120 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1psy n ARG 120 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1psy n ARG 120 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1psy n GLN 121 N -3.20 0.77 -0.48 -0.14 6.02 -0.57 -4.99 117.38 114.80 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1psy n GLN 121 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1psy n THR 122 N -1.24 0.00 -2.71 5.09 -1.04 -1.22 -4.02 114.28 109.14 1psy n THR 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1psy n THR 122 Cb 0.00 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 1psy n THR 122 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1psy s ARG 123 N -0.05 3.63 0.00 -2.82 0.52 -1.26 -4.42 118.95 114.55 1psy s ARG 123 Ca 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1psy s ARG 123 Cb 0.00 -5.19 0.00 0.00 0.52 0.00 0.00 34.95 30.28 1psy s ARG 123 CO 0.00 -2.03 0.40 0.25 0.02 0.00 0.00 175.30 173.94 1psy n THR 124 N 6.25 0.00 -0.95 0.02 -2.24 -1.26 -5.03 114.28 111.06 1psy n THR 124 Ca 0.31 0.89 0.00 0.00 -2.27 0.00 0.00 64.05 62.98 1psy n THR 124 Cb 0.50 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1psy n THR 124 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09