#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 0.58 0.23 0.00 2.02 -1.26 -5.18 118.70 115.10 1psy s GLU 2 Ca 0.00 0.81 -0.22 0.00 0.02 0.00 0.00 54.97 55.58 1psy s GLU 2 Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.49 1psy s GLU 2 CO 0.00 -0.09 0.73 -0.06 0.02 0.00 0.00 175.26 175.86 1psy s PHE 3 N 0.75 -0.25 0.79 1.61 0.08 -1.26 -5.16 117.98 114.54 1psy s PHE 3 Ca -0.02 -0.13 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 1psy s PHE 3 Cb -0.05 0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 42.97 1psy s PHE 3 CO -0.09 -1.09 -0.16 -1.33 -0.10 0.00 0.00 175.22 172.45 1psy n MET 4 N -0.44 0.04 -2.30 0.44 2.81 -1.26 -4.99 117.12 111.43 1psy n MET 4 Ca -0.07 0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.59 1psy n MET 4 Cb 0.60 -1.30 0.14 0.00 -0.71 0.00 0.00 33.22 31.96 1psy n MET 4 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1psy s GLU 5 N -2.09 1.23 0.00 0.03 -1.05 -1.26 -5.09 118.70 110.47 1psy s GLU 5 Ca 0.53 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1psy s GLU 5 Cb -0.31 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 1psy s GLU 5 CO 0.70 -1.87 0.00 0.43 0.95 0.00 0.00 175.26 175.48 1psy n SER 6 N -3.24 0.00 -1.58 0.83 7.64 -1.26 -5.19 113.62 110.81 1psy n SER 6 Ca 0.15 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.99 1psy n SER 6 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1psy n SER 6 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1psy n LYS 7 N 0.00 0.20 0.00 1.43 4.76 -1.26 -5.17 118.16 118.13 1psy n LYS 7 Ca 0.00 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1psy n LYS 7 Cb 0.00 0.79 0.00 0.00 -1.84 0.00 0.00 35.03 33.98 1psy n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1psy n GLY 8 N -0.17 0.24 3.45 0.72 0.00 -1.26 -5.16 105.19 103.01 1psy n GLY 8 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 2.21 1.17 0.13 1.61 2.12 -1.26 -5.18 118.70 119.50 1psy s GLU 9 Ca 0.00 -0.20 -0.24 0.00 0.36 0.00 0.00 54.97 54.89 1psy s GLU 9 Cb 0.00 0.54 0.07 0.00 0.26 0.00 0.00 34.13 35.00 1psy s GLU 9 CO 0.00 -0.46 0.68 0.50 -0.54 0.00 0.00 175.26 175.44 1psy s ARG 10 N -2.72 1.22 0.14 4.30 3.52 -1.26 -5.19 118.95 118.97 1psy s ARG 10 Ca -0.04 -0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1psy s ARG 10 Cb -0.01 0.54 -0.03 0.00 -1.56 0.00 0.00 34.95 33.90 1psy s ARG 10 CO -0.04 -0.54 0.16 -2.00 -0.81 0.00 0.00 175.30 172.07 1psy s GLU 11 N -3.62 1.02 0.00 5.12 2.56 -1.26 -5.12 118.70 117.41 1psy s GLU 11 Ca 0.03 -1.32 0.00 0.00 0.00 0.00 0.00 54.97 53.68 1psy s GLU 11 Cb -0.01 0.30 0.00 0.00 2.00 0.00 0.00 34.13 36.42 1psy s GLU 11 CO -0.10 -0.33 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1psy n GLY 12 N -0.14 2.24 3.15 -1.50 0.00 -1.26 -5.16 105.19 102.52 1psy n GLY 12 Ca -0.06 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1psy n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1psy s SER 13 N 0.00 -0.19 0.00 1.61 0.15 -1.26 -5.17 113.70 108.84 1psy s SER 13 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1psy s SER 13 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1psy s SER 13 CO 0.00 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.17 1psy n SER 14 N 5.15 0.00 -2.31 5.45 2.88 -1.26 -5.04 113.62 118.49 1psy n SER 14 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1psy n SER 14 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1psy n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1psy n SER 15 N 0.00 0.00 0.09 -3.46 2.88 -1.26 -5.01 113.62 106.85 1psy n SER 15 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1psy n SER 15 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.26 -0.05 -1.46 5.75 -2.04 -3.42 115.11 113.64 1psy h GLN 16 Ca 0.00 0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.33 1psy h GLN 16 Cb 0.00 0.06 -0.17 0.00 1.07 0.00 0.00 27.48 28.44 1psy h GLN 16 CO 0.00 0.13 -0.36 0.00 -2.65 0.00 0.00 178.83 175.95 1psy n GLN 17 N -5.00 1.37 -0.01 1.69 10.64 -1.26 -4.97 117.38 119.84 1psy n GLN 17 Ca -0.09 -1.50 -0.02 0.00 -1.83 0.00 0.00 57.00 53.57 1psy n GLN 17 Cb 0.26 0.18 -0.01 0.00 -0.86 0.00 0.00 30.24 29.81 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1psy n ARG 19 N -4.84 0.00 0.00 0.00 0.00 -1.26 0.75 116.66 111.32 1psy n ARG 19 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1psy n ARG 19 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.51 1psy n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n GLN 20 N -1.78 0.00 0.11 2.89 10.64 -1.26 0.31 117.38 128.29 1psy n GLN 20 Ca 0.00 0.64 0.20 0.00 -1.83 0.00 0.00 57.00 56.00 1psy n GLN 20 Cb 0.00 -1.24 0.76 0.00 -0.86 0.00 0.00 30.24 28.90 1psy n GLN 20 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1psy h GLU 21 N 0.00 0.00 0.62 2.61 4.11 0.14 -2.51 114.58 119.54 1psy h GLU 21 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1psy h GLU 21 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1psy h GLU 21 CO 0.00 0.00 -0.30 0.28 0.07 0.00 0.00 179.01 179.06 1psy h VAL 22 N 0.00 0.14 0.00 -1.06 2.07 0.11 -3.13 116.25 114.39 1psy h VAL 22 Ca 0.17 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1psy h VAL 22 Cb 0.95 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1psy h VAL 22 CO -0.00 0.02 0.05 0.00 0.02 0.00 0.00 177.57 177.66 1psy n GLN 23 N -5.34 0.65 0.00 1.57 10.64 0.15 -0.14 117.38 124.90 1psy n GLN 23 Ca -0.11 -0.21 0.00 0.00 -1.83 0.00 0.00 57.00 54.85 1psy n GLN 23 Cb 0.35 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 1psy n GLN 23 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1psy n ARG 24 N 2.27 0.00 -0.02 2.61 1.74 -1.23 -4.95 116.66 117.08 1psy n ARG 24 Ca 0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1psy n ARG 24 Cb 0.31 -0.07 -0.03 0.00 -1.02 0.00 0.00 32.46 31.64 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 -2.18 2.78 0.00 5.56 2.85 -0.95 -4.88 118.16 121.34 1psy n LYS 25 Ca 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1psy n LYS 25 Cb 0.00 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1psy n LYS 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1psy n ASP 26 N -2.06 -0.25 -4.37 -5.58 5.75 0.80 -3.92 116.55 106.92 1psy n ASP 26 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.62 1psy n ASP 26 Cb 0.54 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 1psy n ASP 26 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1psy n LEU 27 N 0.00 0.30 -2.52 -2.12 7.99 -1.26 -4.46 117.00 114.92 1psy n LEU 27 Ca 0.00 -2.12 -0.15 0.00 -0.01 0.00 0.00 56.01 53.73 1psy n LEU 27 Cb 0.00 -1.35 0.02 0.00 -0.11 0.00 0.00 43.42 41.99 1psy n LEU 27 CO 0.00 -3.01 0.05 -0.24 -1.51 0.00 0.00 177.39 172.68 1psy n SER 28 N 15.00 3.09 0.00 -1.43 2.88 -1.26 -4.68 113.62 127.21 1psy n SER 28 Ca 0.29 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1psy n SER 28 Cb 0.47 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.42 0.00 0.24 -3.46 2.88 -1.26 -4.86 113.62 106.74 1psy n SER 29 Ca 0.24 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.63 1psy n SER 29 Cb 0.80 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.18 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 -0.68 0.01 -0.31 0.00 4.57 -1.90 -2.88 114.58 113.39 1psy h GLU 31 Ca -0.06 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1psy h GLU 31 Cb 0.50 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1psy h GLU 31 CO 0.10 0.65 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.38 1psy h ARG 32 N 0.01 0.51 -0.15 1.92 2.43 -1.84 -1.25 114.38 116.01 1psy h ARG 32 Ca -0.01 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1psy h ARG 32 Cb 1.14 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1psy h ARG 32 CO 0.08 0.62 -0.21 -0.92 -1.51 0.00 0.00 179.97 178.04 1psy h TYR 33 N 0.48 -0.55 0.00 2.20 3.20 0.11 0.52 116.97 122.93 1psy h TYR 33 Ca 0.09 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1psy h TYR 33 Cb 0.47 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1psy h TYR 33 CO 0.02 -0.29 -0.18 1.37 -1.64 0.00 0.00 178.16 177.44 1psy h LEU 34 N -0.25 0.00 -0.01 2.82 8.10 -1.61 -2.79 115.31 121.57 1psy h LEU 34 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 1psy h LEU 34 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1psy h LEU 34 CO -0.30 0.18 -0.00 -1.14 -4.11 0.00 0.00 178.44 173.07 1psy n ARG 35 N -3.18 0.72 0.00 0.17 0.63 -0.36 -4.92 116.66 109.72 1psy n ARG 35 Ca 0.02 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1psy n ARG 35 Cb 0.54 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1psy n ARG 35 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 36 N -1.13 0.00 0.00 -0.14 7.27 0.17 -4.99 117.38 118.55 1psy n GLN 36 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1psy n GLN 36 Cb 0.18 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.83 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1psy n SER 37 N 0.00 0.00 -4.61 1.69 2.88 -1.26 -4.80 113.62 107.52 1psy n SER 37 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1psy n SER 37 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1psy n SER 37 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1psy s SER 38 N -1.00 6.66 0.07 -3.46 1.04 -1.26 -4.66 113.70 111.08 1psy s SER 38 Ca 0.00 0.81 -0.37 0.00 0.48 0.00 0.00 55.95 56.87 1psy s SER 38 Cb 0.00 -2.54 -0.19 0.00 0.10 0.00 0.00 66.02 63.39 1psy s SER 38 CO 0.00 -1.17 1.02 -0.24 0.98 0.00 0.00 173.24 173.83 1psy n SER 39 N 7.76 0.12 -3.02 7.02 2.88 -1.26 -4.93 113.62 122.18 1psy n SER 39 Ca 0.13 1.15 -0.18 0.00 -1.33 0.00 0.00 58.87 58.64 1psy n SER 39 Cb 0.48 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1psy n SER 39 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1psy n ARG 40 N 1.56 0.75 -3.62 -1.46 0.63 -1.26 -4.83 116.66 108.43 1psy n ARG 40 Ca 0.19 -2.67 0.02 0.00 -0.92 0.00 0.00 57.85 54.47 1psy n ARG 40 Cb 0.14 -1.32 -0.06 0.00 0.45 0.00 0.00 32.46 31.68 1psy n ARG 40 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1psy s ARG 41 N -0.52 0.11 -0.23 -0.14 3.52 -1.26 -5.18 118.95 115.25 1psy s ARG 41 Ca 0.34 0.19 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 1psy s ARG 41 Cb 0.20 0.03 0.14 0.00 -1.56 0.00 0.00 34.95 33.76 1psy s ARG 41 CO -0.16 -0.02 1.10 0.45 -0.81 0.00 0.00 175.30 175.86 1psy s SER 42 N 1.16 -0.31 0.39 -2.12 0.15 -1.26 -5.14 113.70 106.57 1psy s SER 42 Ca -0.08 0.46 -0.24 0.00 0.70 0.00 0.00 55.95 56.79 1psy s SER 42 Cb -0.02 0.41 -0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1psy s SER 42 CO -0.11 -0.21 1.00 -0.89 1.20 0.00 0.00 173.24 174.23 1psy s THR 43 N -0.57 3.98 0.00 6.45 2.01 -1.26 -4.93 115.64 121.32 1psy s THR 43 Ca 0.02 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.49 1psy s THR 43 Cb -0.02 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1psy s THR 43 CO -0.04 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1psy n GLY 44 N 0.17 3.15 0.06 4.40 0.00 -1.26 -4.89 105.19 106.83 1psy n GLY 44 Ca 0.05 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1psy n GLY 44 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1psy h GLU 45 N 0.00 -0.04 -2.60 1.61 4.81 -2.07 -3.23 114.58 113.05 1psy h GLU 45 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1psy h GLU 45 Cb 0.00 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.27 1psy h GLU 45 CO 0.00 0.20 2.39 -1.91 -0.73 0.00 0.00 179.01 178.96 1psy n GLU 46 N -5.00 4.40 -0.48 1.92 2.13 -1.26 -4.63 120.64 117.73 1psy n GLU 46 Ca -0.08 -3.30 -0.01 0.00 0.66 0.00 0.00 57.16 54.43 1psy n GLU 46 Cb 0.15 -2.61 0.16 0.00 0.27 0.00 0.00 31.44 29.41 1psy n GLU 46 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1psy n VAL 47 N 1.81 1.54 -2.53 6.31 3.14 -1.22 -4.14 118.33 123.22 1psy n VAL 47 Ca 0.63 -0.74 -0.23 0.00 -2.96 0.00 0.00 64.34 61.04 1psy n VAL 47 Cb 0.27 -0.50 0.01 0.00 -1.06 0.00 0.00 33.84 32.55 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 0.12 3.98 -4.73 6.55 4.32 -1.26 -5.08 117.00 120.91 1psy n LEU 48 Ca 0.18 -4.91 -0.31 0.00 -0.02 0.00 0.00 56.01 50.95 1psy n LEU 48 Cb 0.81 -0.26 0.12 0.00 -1.62 0.00 0.00 43.42 42.47 1psy n LEU 48 CO 0.20 2.10 0.70 -0.60 -1.22 0.00 0.00 177.39 178.56 1psy s ARG 49 N -3.44 1.78 0.47 3.23 3.52 -1.26 -4.94 118.95 118.31 1psy s ARG 49 Ca 0.43 1.36 -0.20 0.00 -0.13 0.00 0.00 55.73 57.20 1psy s ARG 49 Cb 0.41 -1.83 -0.14 0.00 -1.56 0.00 0.00 34.95 31.83 1psy s ARG 49 CO -0.14 -2.03 0.18 -1.33 -0.81 0.00 0.00 175.30 171.17 1psy n MET 50 N -3.71 0.19 -2.22 5.12 2.81 -1.26 -4.84 117.12 113.22 1psy n MET 50 Ca 0.10 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.65 1psy n MET 50 Cb 0.52 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 1psy n MET 50 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1psy s PRO 51 N -1.29 4.28 0.00 0.03 0.04 -1.26 -4.44 135.00 132.36 1psy s PRO 51 Ca 0.61 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1psy s PRO 51 Cb -0.55 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1psy s PRO 51 CO 0.61 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1psy n GLY 52 N 3.64 -1.26 0.00 0.56 0.00 -1.26 -4.98 105.19 101.90 1psy n GLY 52 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1psy n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1psy n ASP 53 N 0.00 0.00 -2.38 1.61 8.00 -1.26 -4.97 116.55 117.55 1psy n ASP 53 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1psy n ASP 53 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1psy n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1psy n GLU 54 N 0.00 3.05 -3.60 -1.24 -0.58 -1.26 -4.96 120.64 112.05 1psy n GLU 54 Ca 0.00 -3.73 0.01 0.00 -0.42 0.00 0.00 57.16 53.02 1psy n GLU 54 Cb 0.00 -2.28 -0.01 0.00 -0.57 0.00 0.00 31.44 28.58 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 -2.39 -0.05 0.00 1.62 2.20 -1.26 -4.68 114.94 110.38 1psy s ASN 55 Ca 0.57 -0.07 0.00 0.00 -0.94 0.00 0.00 52.86 52.42 1psy s ASN 55 Cb 0.46 0.10 0.00 0.00 -2.00 0.00 0.00 41.25 39.81 1psy s ASN 55 CO -0.10 -0.18 0.47 0.00 -2.94 0.00 0.00 177.10 174.36 1psy n GLN 56 N -0.39 0.00 -4.32 3.55 1.13 -1.26 -4.90 117.38 111.19 1psy n GLN 56 Ca -0.06 0.06 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1psy n GLN 56 Cb 0.62 -0.97 -0.10 0.00 0.11 0.00 0.00 30.24 29.89 1psy n GLN 56 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1psy s GLN 57 N -0.95 1.25 -0.74 -1.09 0.74 -1.26 -4.86 119.66 112.76 1psy s GLN 57 Ca 0.00 -1.52 -0.19 0.00 0.05 0.00 0.00 55.36 53.70 1psy s GLN 57 Cb 0.00 -1.04 0.12 0.00 1.10 0.00 0.00 33.01 33.19 1psy s GLN 57 CO 0.00 0.17 0.88 -0.65 -0.55 0.00 0.00 175.29 175.14 1psy s GLN 58 N -3.50 3.30 -0.00 1.67 1.11 -1.26 -4.50 119.66 116.48 1psy s GLN 58 Ca 0.20 -1.55 0.00 0.00 0.01 0.00 0.00 55.36 54.02 1psy s GLN 58 Cb -0.01 -4.48 0.00 0.00 -1.01 0.00 0.00 33.01 27.51 1psy s GLN 58 CO 0.05 -1.62 0.10 -0.85 0.01 0.00 0.00 175.29 172.99 1psy n GLU 59 N 6.25 0.00 0.00 2.91 0.28 -1.26 -5.06 120.64 123.77 1psy n GLU 59 Ca 0.05 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1psy n GLU 59 Cb 0.45 0.43 0.00 0.00 1.43 0.00 0.00 31.44 33.75 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 -0.01 0.00 0.32 -1.84 3.41 -1.26 -5.01 113.62 109.23 1psy n SER 60 Ca -0.01 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1psy n SER 60 Cb 0.30 0.00 1.03 0.00 -0.26 0.00 0.00 64.21 65.28 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 0.00 0.00 0.15 4.33 3.07 -1.98 -2.10 115.11 118.59 1psy h GLN 61 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1psy h GLN 61 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1psy h GLN 61 CO 0.00 0.00 -0.07 1.96 0.09 0.00 0.00 178.83 180.81 1psy h GLN 62 N 0.00 -0.20 -0.52 0.06 7.50 -1.95 -3.22 115.11 116.79 1psy h GLN 62 Ca 0.01 0.01 0.15 0.00 0.50 0.00 0.00 58.65 59.33 1psy h GLN 62 Cb 0.27 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.82 1psy h GLN 62 CO -0.00 0.08 0.39 -0.07 -1.50 0.00 0.00 178.83 177.72 1psy h LEU 63 N -1.00 0.00 -1.54 1.46 4.07 -1.91 0.31 115.31 116.70 1psy h LEU 63 Ca -0.02 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.07 1psy h LEU 63 Cb 0.37 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1psy h LEU 63 CO 0.03 0.00 0.49 -0.61 -1.08 0.00 0.00 178.44 177.28 1psy h GLN 64 N 0.00 0.46 -0.13 1.13 4.15 -1.40 0.77 115.11 120.09 1psy h GLN 64 Ca 0.25 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.51 1psy h GLN 64 Cb 1.01 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1psy h GLN 64 CO -0.00 0.31 -0.48 1.96 -1.93 0.00 0.00 178.83 178.68 1psy h GLN 65 N 0.48 0.33 0.06 1.69 7.50 -0.39 0.96 115.11 125.74 1psy h GLN 65 Ca 0.36 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 59.32 1psy h GLN 65 Cb 0.72 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.27 1psy h GLN 65 CO -0.12 0.75 -0.03 0.00 -1.50 0.00 0.00 178.83 177.93 1psy h ASN 68 N -0.41 0.00 -0.00 0.00 2.35 -0.87 0.43 115.58 117.07 1psy h ASN 68 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1psy h ASN 68 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.81 1psy h ASN 68 CO -0.12 0.00 -0.34 1.56 -1.65 0.00 0.00 177.43 176.88 1psy h GLN 69 N 0.00 0.23 0.00 0.81 1.08 1.00 -3.01 115.11 115.22 1psy h GLN 69 Ca 0.12 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1psy h GLN 69 Cb 0.56 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1psy h GLN 69 CO -0.00 0.96 0.00 0.28 -0.95 0.00 0.00 178.83 179.12 1psy h VAL 70 N -0.40 0.00 0.00 -0.54 2.07 0.14 -1.55 116.25 115.97 1psy h VAL 70 Ca -0.04 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1psy h VAL 70 Cb 1.08 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1psy h VAL 70 CO 0.07 0.00 -0.21 0.50 0.02 0.00 0.00 177.57 177.95 1psy h LYS 71 N 0.00 0.00 -0.59 1.57 3.64 -0.22 -2.84 116.57 118.14 1psy h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1psy h LYS 71 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1psy h LYS 71 CO 0.00 0.21 0.00 0.00 -2.27 0.00 0.00 179.45 177.39 1psy n GLN 72 N -3.20 2.40 -0.53 1.90 10.64 -0.60 -4.96 117.38 123.03 1psy n GLN 72 Ca 0.02 -2.17 -0.18 0.00 -1.83 0.00 0.00 57.00 52.84 1psy n GLN 72 Cb 0.55 -1.47 0.16 0.00 -0.86 0.00 0.00 30.24 28.61 1psy n GLN 72 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1psy n VAL 73 N 1.28 0.00 0.00 -0.39 3.14 -1.07 -4.69 118.33 116.59 1psy n VAL 73 Ca 0.20 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1psy n VAL 73 Cb 0.52 -1.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 1psy n VAL 73 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1psy n ARG 74 N -3.69 0.00 0.00 1.45 5.12 -1.26 -4.98 116.66 113.30 1psy n ARG 74 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1psy n ARG 74 Cb 0.36 -0.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.58 1psy n ARG 74 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1psy n ASP 75 N 0.00 0.00 -0.22 0.55 8.00 -1.26 -4.93 116.55 118.69 1psy n ASP 75 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1psy n ASP 75 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1psy n GLU 76 N -1.16 1.95 -0.22 -1.24 0.28 -1.26 -4.33 120.64 114.65 1psy n GLU 76 Ca 0.00 -0.62 0.09 0.00 -0.16 0.00 0.00 57.16 56.48 1psy n GLU 76 Cb 0.00 -1.06 0.25 0.00 1.43 0.00 0.00 31.44 32.07 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1psy h GLN 78 N 3.11 0.05 0.12 0.00 7.50 -1.82 0.10 115.11 124.17 1psy h GLN 78 Ca 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1psy h GLN 78 Cb 0.70 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.23 1psy h GLN 78 CO 0.00 0.32 -0.06 0.00 -1.50 0.00 0.00 178.83 177.59 1psy h GLU 80 N -0.91 0.00 -0.14 0.00 4.57 -1.75 0.29 114.58 116.63 1psy h GLU 80 Ca -0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 1psy h GLU 80 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1psy h GLU 80 CO 0.03 0.00 -0.35 0.00 -1.18 0.00 0.00 179.01 177.51 1psy h ALA 81 N 1.19 0.24 -0.36 2.92 0.00 -0.92 -2.96 119.26 119.37 1psy h ALA 81 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1psy h ALA 81 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1psy h ALA 81 CO -0.00 0.30 0.20 0.82 0.00 0.00 0.00 179.25 180.57 1psy h ILE 82 N 0.11 1.12 0.00 0.00 1.08 -0.38 -0.14 117.51 119.29 1psy h ILE 82 Ca -0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1psy h ILE 82 Cb 0.96 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1psy h ILE 82 CO 0.08 0.13 0.00 0.29 -0.69 0.00 0.00 178.15 177.95 1psy n LYS 83 N -4.44 0.07 -0.03 2.37 4.01 -0.76 -0.92 118.16 118.46 1psy n LYS 83 Ca 0.02 0.25 -0.04 0.00 -0.51 0.00 0.00 58.31 58.04 1psy n LYS 83 Cb 0.10 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.11 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 -1.40 0.00 -0.17 2.13 4.19 -0.23 -4.67 117.16 117.01 1psy n TYR 84 Ca 0.04 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.17 1psy n TYR 84 Cb 0.11 -0.20 0.02 0.00 0.49 0.00 0.00 39.34 39.75 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.91 0.00 0.00 176.86 178.74 1psy h ILE 85 N -0.40 1.17 0.00 2.97 6.09 -1.13 0.27 117.51 126.48 1psy h ILE 85 Ca 0.00 -0.41 -0.12 0.00 -1.37 0.00 0.00 64.86 62.96 1psy h ILE 85 Cb 0.40 0.53 -0.05 0.00 0.47 0.00 0.00 36.82 38.17 1psy h ILE 85 CO 0.00 0.17 -0.16 0.00 -3.07 0.00 0.00 178.15 175.09 1psy n ALA 86 N -2.27 4.90 0.02 0.18 0.00 -0.10 -3.02 120.51 120.22 1psy n ALA 86 Ca 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1psy n ALA 86 Cb 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 2.44 0.00 -0.26 0.00 4.07 -1.03 -4.83 120.64 121.02 1psy n GLU 87 Ca 0.28 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.40 1psy n GLU 87 Cb 0.66 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 32.19 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1psy h ASP 88 N 0.00 0.54 -0.02 4.31 3.58 -0.50 0.40 116.42 124.73 1psy h ASP 88 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1psy h ASP 88 Cb 0.00 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 1psy h ASP 88 CO 0.00 0.31 0.04 0.06 -2.88 0.00 0.00 179.24 176.77 1psy h GLN 89 N 0.67 0.00 -0.03 0.28 -0.00 -1.75 0.40 115.11 114.70 1psy h GLN 89 Ca 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.00 1psy h GLN 89 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1psy h GLN 89 CO -0.26 0.00 -0.07 0.82 -0.00 0.00 0.00 178.83 179.33 1psy h ILE 90 N 0.00 1.46 -0.19 1.86 2.04 -0.49 0.55 117.51 122.75 1psy h ILE 90 Ca 0.01 -1.47 -0.17 0.00 1.00 0.00 0.00 64.86 64.23 1psy h ILE 90 Cb 0.08 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1psy h ILE 90 CO -0.00 0.39 -0.58 1.56 0.00 0.00 0.00 178.15 179.52 1psy h GLN 91 N -0.48 0.60 0.13 2.37 1.08 -0.92 -3.17 115.11 114.74 1psy h GLN 91 Ca -0.00 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 1psy h GLN 91 Cb 0.67 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1psy h GLN 91 CO 0.01 1.01 -0.06 0.37 -0.95 0.00 0.00 178.83 179.21 1psy h GLN 92 N 0.46 -0.17 0.00 1.46 4.15 -0.30 -3.46 115.11 117.24 1psy h GLN 92 Ca 0.00 0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.07 1psy h GLN 92 Cb 1.14 0.04 0.20 0.00 0.21 0.00 0.00 27.48 29.07 1psy h GLN 92 CO 0.11 0.27 -0.08 0.41 -1.93 0.00 0.00 178.83 177.61 1psy n GLY 93 N 0.85 -3.59 1.67 2.39 0.00 0.19 -4.88 105.19 101.82 1psy n GLY 93 Ca -0.07 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.40 1.35 -3.16 1.61 6.02 -1.26 -4.82 117.38 111.71 1psy n GLN 94 Ca 0.14 -0.65 -0.45 0.00 -0.01 0.00 0.00 57.00 56.03 1psy n GLN 94 Cb 0.58 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.53 1psy n GLN 94 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1psy s LEU 95 N -0.72 5.82 0.24 1.08 2.01 -1.20 -4.96 118.68 120.96 1psy s LEU 95 Ca 0.14 -1.95 -0.15 0.00 0.01 0.00 0.00 54.13 52.18 1psy s LEU 95 Cb 0.10 -2.28 0.01 0.00 0.01 0.00 0.00 46.19 44.03 1psy s LEU 95 CO -0.00 -0.92 0.53 -1.00 1.01 0.00 0.00 176.35 175.96 1psy s HIS 96 N 1.83 0.17 0.00 0.29 3.76 -1.26 -4.65 115.29 115.43 1psy s HIS 96 Ca 0.16 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1psy s HIS 96 Cb -0.17 0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.84 1psy s HIS 96 CO -0.01 -1.02 0.00 0.41 -0.85 0.00 0.00 174.74 173.26 1psy n GLY 97 N -0.38 2.21 2.46 -2.22 0.00 -1.26 -3.48 105.19 102.51 1psy n GLY 97 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 0.25 -0.24 1.61 2.13 -1.26 -4.98 120.64 118.14 1psy n GLU 98 Ca 0.00 -0.65 0.04 0.00 0.66 0.00 0.00 57.16 57.21 1psy n GLU 98 Cb 0.00 0.01 0.06 0.00 0.27 0.00 0.00 31.44 31.78 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 -0.47 0.79 0.05 5.31 0.28 -1.23 -4.76 120.64 120.61 1psy n GLU 99 Ca -0.21 -1.68 -0.12 0.00 -0.16 0.00 0.00 57.16 54.99 1psy n GLU 99 Cb 0.64 -0.97 -0.13 0.00 1.43 0.00 0.00 31.44 32.41 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 0.00 0.19 0.72 -1.84 0.87 -1.86 -3.31 113.55 108.32 1psy h SER 100 Ca 0.00 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1psy h SER 100 Cb 1.13 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1psy h SER 100 CO 0.00 1.21 -0.32 -0.33 -0.53 0.00 0.00 176.83 176.86 1psy h GLU 101 N 0.03 0.00 0.00 2.24 3.07 -2.00 -1.74 114.58 116.19 1psy h GLU 101 Ca -0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1psy h GLU 101 Cb 1.93 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.84 1psy h GLU 101 CO 0.14 0.32 -0.06 0.07 -1.40 0.00 0.00 179.01 178.08 1psy h ARG 102 N 0.00 0.00 0.00 2.33 0.11 -1.89 -2.23 114.38 112.70 1psy h ARG 102 Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 1psy h ARG 102 Cb 0.77 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.82 1psy h ARG 102 CO 0.04 0.06 -0.88 0.28 0.10 0.00 0.00 179.97 179.58 1psy h VAL 103 N 0.00 1.34 0.01 0.08 2.07 -1.44 -2.49 116.25 115.81 1psy h VAL 103 Ca -0.00 -2.93 -0.00 0.00 0.82 0.00 0.00 66.70 64.59 1psy h VAL 103 Cb 0.49 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1psy h VAL 103 CO 0.01 0.77 -0.00 0.00 0.02 0.00 0.00 177.57 178.36 1psy h ALA 104 N 1.18 -0.01 -0.05 1.67 0.00 -1.31 -1.71 119.26 119.04 1psy h ALA 104 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1psy h ALA 104 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1psy h ALA 104 CO 0.10 -0.39 -0.54 -0.56 0.00 0.00 0.00 179.25 177.87 1psy h GLN 105 N -0.24 0.14 0.56 0.00 3.07 -1.64 -2.77 115.11 114.23 1psy h GLN 105 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 1psy h GLN 105 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1psy h GLN 105 CO 0.00 0.64 -0.46 -0.09 0.09 0.00 0.00 178.83 179.01 1psy h ARG 106 N 0.11 -0.96 -0.48 0.06 9.65 -1.18 -2.30 114.38 119.27 1psy h ARG 106 Ca -0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1psy h ARG 106 Cb 0.99 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 1psy h ARG 106 CO 0.08 -0.64 0.31 0.00 2.80 0.00 0.00 179.97 182.52 1psy h ALA 107 N -0.80 1.64 -1.19 2.80 0.00 -1.34 0.04 119.26 120.41 1psy h ALA 107 Ca -0.07 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.14 1psy h ALA 107 Cb 0.85 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1psy h ALA 107 CO -0.01 0.33 0.83 0.78 0.00 0.00 0.00 179.25 181.18 1psy h GLY 108 N 0.67 0.36 0.89 0.00 0.00 -1.12 0.14 103.07 104.01 1psy h GLY 108 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1psy h GLY 108 CO -0.04 -0.05 -0.33 0.83 0.00 0.00 0.00 176.54 176.95 1psy h GLU 109 N 0.10 -0.80 0.00 4.80 5.08 -0.64 -1.28 114.58 121.84 1psy h GLU 109 Ca 0.60 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.95 1psy h GLU 109 Cb 2.16 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 1psy h GLU 109 CO -0.10 -0.53 -0.30 0.82 -1.00 0.00 0.00 179.01 177.90 1psy h ILE 110 N -0.83 0.68 -0.45 3.13 1.08 -1.24 -2.75 117.51 117.14 1psy h ILE 110 Ca -0.07 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.05 1psy h ILE 110 Cb 0.67 1.92 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 1psy h ILE 110 CO 0.08 0.30 0.20 0.58 -0.69 0.00 0.00 178.15 178.61 1psy h VAL 111 N 0.00 0.92 0.00 1.67 2.07 -0.47 0.65 116.25 121.09 1psy h VAL 111 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1psy h VAL 111 Cb 0.89 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1psy h VAL 111 CO 0.04 0.07 -0.06 0.77 0.02 0.00 0.00 177.57 178.42 1psy h SER 112 N 0.40 0.00 0.00 0.57 4.64 -0.93 0.31 113.55 118.54 1psy h SER 112 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1psy h SER 112 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1psy h SER 112 CO -0.17 0.06 0.00 -0.24 -0.87 0.00 0.00 176.83 175.61 1psy n SER 113 N -3.69 0.00 -2.79 4.97 2.88 0.06 -4.81 113.62 110.24 1psy n SER 113 Ca -0.02 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1psy n SER 113 Cb 0.16 -0.09 0.07 0.00 -0.75 0.00 0.00 64.21 63.59 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 -0.79 1.62 2.56 0.00 0.00 -0.56 -4.39 105.19 103.62 1psy n GLY 115 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1psy n GLY 115 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1psy n VAL 116 N -0.20 2.49 0.00 1.61 3.14 0.10 -4.34 118.33 121.13 1psy n VAL 116 Ca 0.05 -1.47 0.00 0.00 -2.96 0.00 0.00 64.34 59.96 1psy n VAL 116 Cb 0.79 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 1psy n VAL 116 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1psy n ARG 117 N 4.04 0.00 0.00 1.45 3.00 -1.26 -3.77 116.66 120.12 1psy n ARG 117 Ca 0.45 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.39 1psy n ARG 117 Cb 0.17 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.70 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 1.00 1.70 0.00 0.00 0.00 -1.26 -4.62 117.12 113.94 1psy n MET 119 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 57.70 56.79 1psy n MET 119 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.28 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 0.24 0.00 0.00 2.12 0.00 -1.26 -4.89 116.66 112.88 1psy n ARG 120 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1psy n ARG 120 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.81 1psy n ARG 120 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1psy n GLN 121 N -2.10 3.50 0.00 -0.14 7.27 -0.66 -4.98 117.38 120.26 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1psy n GLN 121 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1psy n THR 122 N 0.00 0.00 -0.12 1.69 -1.04 -0.73 -4.57 114.28 109.52 1psy n THR 122 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1psy n THR 122 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1psy n THR 122 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1psy n ARG 123 N 0.00 -0.12 -4.98 -2.82 1.74 -1.26 -4.27 116.66 104.95 1psy n ARG 123 Ca 0.00 0.94 -0.27 0.00 -0.77 0.00 0.00 57.85 57.75 1psy n ARG 123 Cb 0.00 -1.40 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1psy n ARG 123 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1psy s THR 124 N -3.83 1.68 -2.00 0.55 -1.32 -1.26 -3.99 115.64 105.47 1psy s THR 124 Ca -0.03 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1psy s THR 124 Cb 0.03 -1.40 0.06 0.00 -1.51 0.00 0.00 72.50 69.67 1psy s THR 124 CO 0.17 0.43 0.61 0.59 -2.21 0.00 0.00 174.62 174.21