#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psy n GLU 2 N 0.00 0.00 -3.62 0.00 -0.58 -1.26 -5.17 120.64 110.02 1psy n GLU 2 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1psy n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1psy n GLU 2 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1psy s PHE 3 N -2.00 -0.10 -0.30 -0.32 5.36 -1.26 -5.17 117.98 114.19 1psy s PHE 3 Ca 0.00 0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.91 1psy s PHE 3 Cb 0.00 0.50 0.19 0.00 -0.34 0.00 0.00 43.02 43.37 1psy s PHE 3 CO 0.00 -0.14 1.18 0.00 -1.46 0.00 0.00 175.22 174.80 1psy s MET 4 N -1.91 0.14 0.00 10.12 0.23 -1.26 -5.19 119.30 121.43 1psy s MET 4 Ca 0.09 0.26 0.00 0.00 -1.03 0.00 0.00 55.69 55.01 1psy s MET 4 Cb -0.01 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 1psy s MET 4 CO -0.04 -0.03 0.00 0.39 -2.03 0.00 0.00 175.02 173.30 1psy n GLU 5 N 3.42 0.00 0.00 3.16 1.02 -1.26 -5.16 120.64 121.82 1psy n GLU 5 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1psy n GLU 5 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1psy n GLU 5 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1psy n SER 6 N 0.00 0.00 -3.64 1.62 2.88 -1.26 -5.18 113.62 108.04 1psy n SER 6 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1psy n SER 6 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1psy n SER 6 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1psy s LYS 7 N 0.00 0.46 0.00 -1.46 2.20 -1.26 -5.15 119.74 114.53 1psy s LYS 7 Ca 0.00 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1psy s LYS 7 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1psy s LYS 7 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1psy n GLY 8 N 3.41 2.60 3.61 5.54 0.00 -1.26 -5.18 105.19 113.91 1psy n GLY 8 Ca -0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 2.04 0.53 1.09 1.61 2.12 -1.26 -5.17 118.70 119.66 1psy s GLU 9 Ca 0.00 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.58 1psy s GLU 9 Cb 0.00 0.26 0.23 0.00 0.26 0.00 0.00 34.13 34.88 1psy s GLU 9 CO 0.00 -0.11 1.09 1.03 -0.54 0.00 0.00 175.26 176.73 1psy s ARG 10 N -0.34 -0.32 0.00 4.30 3.00 -1.26 -5.02 118.95 119.32 1psy s ARG 10 Ca 0.01 0.34 0.18 0.00 0.00 0.00 0.00 55.73 56.26 1psy s ARG 10 Cb -0.03 -1.67 0.30 0.00 0.00 0.00 0.00 34.95 33.56 1psy s ARG 10 CO -0.03 -3.19 1.12 -1.91 0.00 0.00 0.00 175.30 171.28 1psy n GLU 11 N -4.47 0.00 0.00 3.54 2.13 -1.26 -5.11 120.64 115.47 1psy n GLU 11 Ca 0.07 -1.70 0.00 0.00 0.66 0.00 0.00 57.16 56.19 1psy n GLU 11 Cb 0.58 0.13 0.00 0.00 0.27 0.00 0.00 31.44 32.42 1psy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1psy n GLY 12 N 0.35 -1.56 2.67 8.31 0.00 -1.26 -5.08 105.19 108.63 1psy n GLY 12 Ca -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 1psy n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1psy n SER 13 N -0.60 -1.38 -3.18 1.61 3.41 -1.26 -5.17 113.62 107.06 1psy n SER 13 Ca 0.00 -1.86 -0.05 0.00 -0.26 0.00 0.00 58.87 56.69 1psy n SER 13 Cb 0.00 0.78 0.02 0.00 -0.26 0.00 0.00 64.21 64.75 1psy n SER 13 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1psy s SER 14 N -0.34 0.01 0.87 4.04 1.04 -1.26 -5.11 113.70 112.95 1psy s SER 14 Ca 0.26 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 1psy s SER 14 Cb 0.21 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1psy s SER 14 CO -0.09 -1.26 0.00 -0.24 0.98 0.00 0.00 173.24 172.63 1psy n SER 15 N -1.33 -1.73 -0.33 7.02 2.88 -1.26 -4.82 113.62 114.05 1psy n SER 15 Ca -0.05 -0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.45 1psy n SER 15 Cb 0.60 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.07 0.00 -1.46 4.15 -2.05 -3.38 115.11 112.31 1psy h GLN 16 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1psy h GLN 16 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1psy h GLN 16 CO 0.00 -0.05 -0.05 0.94 -1.93 0.00 0.00 178.83 177.74 1psy n GLN 17 N -5.42 0.33 0.03 1.69 7.27 -1.26 -4.99 117.38 115.03 1psy n GLN 17 Ca 0.06 -0.33 -0.03 0.00 0.07 0.00 0.00 57.00 56.77 1psy n GLN 17 Cb 0.36 0.10 0.20 0.00 2.41 0.00 0.00 30.24 33.31 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 -4.09 -0.01 0.00 0.00 0.63 -1.26 0.81 116.66 112.74 1psy n ARG 19 Ca -0.01 1.12 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1psy n ARG 19 Cb 0.43 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1psy n ARG 19 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 20 N -4.13 0.00 0.30 -0.14 7.27 -1.12 -3.14 117.38 116.43 1psy n GLN 20 Ca 0.43 0.29 0.19 0.00 0.07 0.00 0.00 57.00 57.98 1psy n GLN 20 Cb 1.88 -0.96 0.98 0.00 2.41 0.00 0.00 30.24 34.56 1psy n GLN 20 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1psy h GLU 21 N 0.00 0.00 -0.19 3.69 5.08 -1.24 -1.10 114.58 120.82 1psy h GLU 21 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1psy h GLU 21 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1psy h GLU 21 CO 0.00 0.00 0.11 0.28 -1.00 0.00 0.00 179.01 178.40 1psy h VAL 22 N 0.00 1.09 0.00 3.13 2.07 0.28 0.15 116.25 122.97 1psy h VAL 22 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1psy h VAL 22 Cb 0.35 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1psy h VAL 22 CO -0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1psy n GLN 23 N -4.92 0.88 0.00 1.57 10.64 -0.42 -2.10 117.38 123.04 1psy n GLN 23 Ca -0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 1psy n GLN 23 Cb 0.06 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 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 0.67 0.00 -0.05 2.61 1.74 -0.78 -4.98 116.66 115.86 1psy n ARG 24 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1psy n ARG 24 Cb 0.44 -0.10 -0.04 0.00 -1.02 0.00 0.00 32.46 31.74 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 -2.27 0.24 -0.13 5.56 2.85 -0.03 -4.92 118.16 119.47 1psy n LYS 25 Ca 0.00 0.11 -0.18 0.00 -1.05 0.00 0.00 58.31 57.19 1psy n LYS 25 Cb 0.00 -0.91 0.17 0.00 -0.65 0.00 0.00 35.03 33.64 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1psy n ASP 26 N -3.58 -3.30 -4.35 -5.58 9.92 -0.89 -4.11 116.55 104.67 1psy n ASP 26 Ca -0.21 -0.52 -0.26 0.00 -0.53 0.00 0.00 54.79 53.27 1psy n ASP 26 Cb 0.60 -0.59 -0.20 0.00 -0.64 0.00 0.00 41.12 40.29 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 0.00 -0.94 -1.56 0.64 7.99 -1.26 -4.57 117.00 117.30 1psy n LEU 27 Ca 0.08 -0.33 0.01 0.00 -0.01 0.00 0.00 56.01 55.76 1psy n LEU 27 Cb 0.35 -0.62 0.01 0.00 -0.11 0.00 0.00 43.42 43.05 1psy n LEU 27 CO 0.23 -1.19 0.14 -0.24 -1.51 0.00 0.00 177.39 174.82 1psy n SER 28 N 6.69 0.49 0.00 -1.43 2.88 -1.26 -4.78 113.62 116.21 1psy n SER 28 Ca 0.65 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1psy n SER 28 Cb 0.11 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.19 0.00 0.35 -3.46 2.88 -1.26 -4.86 113.62 107.46 1psy n SER 29 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.37 1psy n SER 29 Cb 1.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.39 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 -0.95 0.06 -0.70 0.00 3.07 -1.89 -3.08 114.58 111.09 1psy h GLU 31 Ca -0.09 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.64 1psy h GLU 31 Cb 0.69 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1psy h GLU 31 CO 0.15 0.86 0.22 -0.09 -1.40 0.00 0.00 179.01 178.75 1psy h ARG 32 N 0.04 1.08 -0.76 2.33 2.43 -1.89 -1.93 114.38 115.68 1psy h ARG 32 Ca -0.02 -0.22 0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1psy h ARG 32 Cb 1.47 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.78 1psy h ARG 32 CO 0.12 0.92 0.35 -0.92 -1.51 0.00 0.00 179.97 178.93 1psy h TYR 33 N 1.04 0.62 0.00 2.20 3.20 -0.05 0.22 116.97 124.21 1psy h TYR 33 Ca 0.23 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1psy h TYR 33 Cb 0.29 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1psy h TYR 33 CO 0.02 0.16 -0.55 1.37 -1.64 0.00 0.00 178.16 177.53 1psy h LEU 34 N 0.55 0.00 -0.32 2.82 8.10 -1.52 -3.10 115.31 121.85 1psy h LEU 34 Ca 0.40 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.32 1psy h LEU 34 Cb 0.52 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1psy h LEU 34 CO -0.34 0.55 -0.05 -0.09 -4.11 0.00 0.00 178.44 174.40 1psy h ARG 35 N 0.00 0.60 0.00 0.17 2.43 -0.03 -3.45 114.38 114.10 1psy h ARG 35 Ca -0.01 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1psy h ARG 35 Cb 1.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1psy h ARG 35 CO 0.07 0.76 0.00 0.94 -1.51 0.00 0.00 179.97 180.23 1psy n GLN 36 N -4.48 0.46 -0.05 0.20 7.27 0.52 -5.06 117.38 116.24 1psy n GLN 36 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.03 1psy n GLN 36 Cb 0.30 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.95 1psy n GLN 36 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1psy h SER 37 N 0.00 0.00 0.00 1.69 0.87 -1.88 -3.48 113.55 110.75 1psy h SER 37 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1psy h SER 37 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1psy h SER 37 CO 0.00 0.54 0.00 -1.54 -0.53 0.00 0.00 176.83 175.30 1psy n SER 38 N -4.36 0.00 -4.83 6.23 3.41 -1.26 -4.97 113.62 107.85 1psy n SER 38 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.23 1psy n SER 38 Cb 0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1psy n SER 38 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1psy s SER 39 N 0.00 6.97 -0.29 4.04 0.15 -1.26 -5.06 113.70 118.24 1psy s SER 39 Ca 0.00 1.37 -0.16 0.00 0.70 0.00 0.00 55.95 57.87 1psy s SER 39 Cb 0.00 -2.40 0.16 0.00 -1.71 0.00 0.00 66.02 62.07 1psy s SER 39 CO 0.00 -0.04 1.00 -0.60 1.20 0.00 0.00 173.24 174.81 1psy s ARG 40 N -2.28 0.31 -0.30 5.44 6.06 -1.26 -5.06 118.95 121.87 1psy s ARG 40 Ca 0.46 0.65 -0.18 0.00 -2.50 0.00 0.00 55.73 54.16 1psy s ARG 40 Cb -0.15 0.23 0.20 0.00 0.06 0.00 0.00 34.95 35.30 1psy s ARG 40 CO 0.20 -0.08 1.26 0.50 -2.50 0.00 0.00 175.30 174.67 1psy s ARG 41 N 1.83 0.09 -0.29 5.12 3.52 -1.26 -5.15 118.95 122.80 1psy s ARG 41 Ca -0.06 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1psy s ARG 41 Cb -0.05 0.02 0.20 0.00 -1.56 0.00 0.00 34.95 33.56 1psy s ARG 41 CO -0.16 -0.02 0.65 -1.54 -0.81 0.00 0.00 175.30 173.43 1psy s SER 42 N 0.90 -1.42 0.00 -2.12 1.04 -1.26 -4.85 113.70 105.98 1psy s SER 42 Ca -0.06 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1psy s SER 42 Cb -0.03 1.97 0.00 0.00 0.10 0.00 0.00 66.02 68.06 1psy s SER 42 CO -0.11 -0.26 0.43 0.41 0.98 0.00 0.00 173.24 174.68 1psy n THR 43 N 5.39 0.00 0.00 2.02 -1.04 -1.26 -4.89 114.28 114.51 1psy n THR 43 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1psy n THR 43 Cb 0.54 0.75 0.00 0.00 -1.82 0.00 0.00 70.33 69.80 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 0.00 3.52 1.14 3.41 0.00 -1.26 -4.98 105.19 107.02 1psy n GLY 44 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1psy n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1psy n GLU 45 N 0.00 1.99 0.00 1.61 0.28 -1.26 -4.70 120.64 118.56 1psy n GLU 45 Ca 0.00 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.95 1psy n GLU 45 Cb 0.00 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1psy n GLU 46 N 0.11 2.20 -0.73 3.44 0.00 -1.26 -4.84 120.64 119.56 1psy n GLU 46 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.21 1psy n GLU 46 Cb 0.69 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 32.01 1psy n GLU 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1psy n VAL 47 N -0.01 2.19 -2.03 6.31 3.14 -1.26 -3.90 118.33 122.76 1psy n VAL 47 Ca 0.00 -1.09 0.05 0.00 -2.96 0.00 0.00 64.34 60.34 1psy n VAL 47 Cb 0.00 -1.86 0.12 0.00 -1.06 0.00 0.00 33.84 31.04 1psy n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1psy n LEU 48 N 2.63 1.92 -1.93 6.55 -0.00 -1.26 -4.56 117.00 120.35 1psy n LEU 48 Ca 0.31 -3.02 -0.12 0.00 -0.00 0.00 0.00 56.01 53.18 1psy n LEU 48 Cb 0.67 -0.28 0.24 0.00 -0.00 0.00 0.00 43.42 44.06 1psy n LEU 48 CO 0.15 0.99 1.08 -1.14 -0.00 0.00 0.00 177.39 178.47 1psy n ARG 49 N -0.36 2.84 0.00 1.47 0.00 -1.25 -4.73 116.66 114.63 1psy n ARG 49 Ca 0.13 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.92 1psy n ARG 49 Cb 0.91 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1psy n ARG 49 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1psy n MET 50 N -0.70 0.00 -2.32 -0.14 2.81 -1.26 -5.06 117.12 110.44 1psy n MET 50 Ca 0.47 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 56.00 1psy n MET 50 Cb 1.43 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.91 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 0.00 3.23 -0.31 0.03 0.04 -1.26 -4.62 135.00 132.11 1psy s PRO 51 Ca 0.00 -1.49 -0.11 0.00 0.04 0.00 0.00 61.00 59.44 1psy s PRO 51 Cb 0.00 -5.37 0.20 0.00 0.04 0.00 0.00 34.50 29.37 1psy s PRO 51 CO 0.00 -3.09 1.15 0.20 0.04 0.00 0.00 177.00 175.30 1psy s GLY 52 N 5.47 -1.84 0.04 0.56 0.00 -1.26 -4.71 107.32 105.58 1psy s GLY 52 Ca 0.61 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1psy s GLY 52 CO 0.09 4.43 0.00 1.34 0.00 0.00 0.00 173.10 178.96 1psy n ASP 53 N 3.00 -0.39 -4.11 1.64 2.03 -1.26 -5.04 116.55 112.42 1psy n ASP 53 Ca 0.08 0.37 -0.41 0.00 0.52 0.00 0.00 54.79 55.34 1psy n ASP 53 Cb 0.66 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.71 1psy n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1psy n GLU 54 N -2.57 3.53 -4.52 -0.67 -0.58 -1.26 -4.98 120.64 109.59 1psy n GLU 54 Ca 0.00 -4.51 -0.22 0.00 -0.42 0.00 0.00 57.16 52.01 1psy n GLU 54 Cb 0.00 -2.48 -0.16 0.00 -0.57 0.00 0.00 31.44 28.23 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 -0.26 1.49 0.26 1.62 4.22 -1.26 -4.97 114.94 116.04 1psy s ASN 55 Ca 0.31 -0.24 -0.18 0.00 -2.14 0.00 0.00 52.86 50.62 1psy s ASN 55 Cb -0.03 -0.41 -0.08 0.00 1.28 0.00 0.00 41.25 42.01 1psy s ASN 55 CO -0.03 0.09 0.73 -1.10 -2.04 0.00 0.00 177.10 174.74 1psy s GLN 56 N 0.16 4.15 -0.20 3.55 -0.21 -1.26 -5.06 119.66 120.79 1psy s GLN 56 Ca -0.03 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.14 1psy s GLN 56 Cb -0.10 -2.72 0.05 0.00 1.00 0.00 0.00 33.01 31.25 1psy s GLN 56 CO 0.01 0.31 -0.07 -1.14 -2.12 0.00 0.00 175.29 172.28 1psy s GLN 57 N -2.34 1.71 0.00 2.91 -0.44 -1.26 -4.84 119.66 115.39 1psy s GLN 57 Ca 0.47 -0.81 0.00 0.00 -2.50 0.00 0.00 55.36 52.52 1psy s GLN 57 Cb -0.14 -2.38 0.00 0.00 -1.64 0.00 0.00 33.01 28.85 1psy s GLN 57 CO 0.20 -0.50 0.00 1.04 0.50 0.00 0.00 175.29 176.53 1psy n GLN 58 N 4.73 0.00 -2.70 1.67 1.13 -1.26 -5.03 117.38 115.93 1psy n GLN 58 Ca -0.13 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.91 1psy n GLN 58 Cb 0.46 -0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.92 1psy n GLN 58 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1psy n GLU 59 N -1.11 1.41 -2.84 -1.09 0.28 -1.26 -5.02 120.64 111.01 1psy n GLU 59 Ca 0.00 -1.60 -0.00 0.00 -0.16 0.00 0.00 57.16 55.39 1psy n GLU 59 Cb 0.00 0.09 0.01 0.00 1.43 0.00 0.00 31.44 32.97 1psy n GLU 59 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1psy s SER 60 N -1.55 -0.74 0.59 -1.84 0.01 -1.26 -5.00 113.70 103.91 1psy s SER 60 Ca 0.13 -0.57 0.37 0.00 1.31 0.00 0.00 55.95 57.19 1psy s SER 60 Cb 0.43 0.95 1.74 0.00 0.21 0.00 0.00 66.02 69.35 1psy s SER 60 CO -0.11 -0.06 2.12 0.06 0.41 0.00 0.00 173.24 175.66 1psy h GLN 61 N 5.39 0.00 -0.23 12.44 3.07 -1.95 -2.60 115.11 131.22 1psy h GLN 61 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 1psy h GLN 61 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1psy h GLN 61 CO -0.03 0.00 -0.61 1.96 0.09 0.00 0.00 178.83 180.23 1psy h GLN 62 N 0.00 0.79 0.00 0.06 7.50 -1.97 -3.03 115.11 118.45 1psy h GLN 62 Ca 0.00 -0.54 -0.08 0.00 0.50 0.00 0.00 58.65 58.53 1psy h GLN 62 Cb 0.33 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.93 1psy h GLN 62 CO 0.00 1.16 -0.40 -0.07 -1.50 0.00 0.00 178.83 178.02 1psy h LEU 63 N 0.59 0.00 -1.79 1.46 4.07 -1.89 -2.14 115.31 115.61 1psy h LEU 63 Ca -0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 1psy h LEU 63 Cb 1.22 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 1psy h LEU 63 CO 0.13 0.40 0.37 -0.61 -1.08 0.00 0.00 178.44 177.64 1psy h GLN 64 N 0.00 0.22 -0.05 1.13 4.15 -1.39 0.24 115.11 119.41 1psy h GLN 64 Ca -0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 1psy h GLN 64 Cb 0.80 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1psy h GLN 64 CO 0.05 0.15 -0.55 0.37 -1.93 0.00 0.00 178.83 176.92 1psy h GLN 65 N 0.23 0.13 -0.04 1.69 -0.00 -1.43 -0.44 115.11 115.25 1psy h GLN 65 Ca 0.25 -0.08 -0.06 0.00 -0.00 0.00 0.00 58.65 58.76 1psy h GLN 65 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.18 1psy h GLN 65 CO -0.05 0.65 -0.21 0.00 0.00 0.00 0.00 178.83 179.22 1psy h ASN 68 N -0.14 0.00 0.03 0.00 2.35 -1.15 0.17 115.58 116.84 1psy h ASN 68 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1psy h ASN 68 Cb 0.14 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1psy h ASN 68 CO -0.02 0.00 -0.28 1.56 -1.65 0.00 0.00 177.43 177.04 1psy h GLN 69 N 0.00 0.14 0.00 0.81 1.08 0.59 -3.19 115.11 114.54 1psy h GLN 69 Ca 0.01 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1psy h GLN 69 Cb 0.06 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1psy h GLN 69 CO -0.00 1.01 0.00 0.28 -0.95 0.00 0.00 178.83 179.17 1psy h VAL 70 N -0.63 0.00 0.00 -0.54 2.07 0.45 -0.68 116.25 116.92 1psy h VAL 70 Ca -0.04 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1psy h VAL 70 Cb 1.13 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1psy h VAL 70 CO 0.05 0.00 -0.26 0.50 0.02 0.00 0.00 177.57 177.89 1psy h LYS 71 N 0.00 0.00 -0.61 1.57 3.64 -0.71 -2.74 116.57 117.72 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 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1psy h LYS 71 CO 0.00 0.26 0.00 1.04 -2.27 0.00 0.00 179.45 178.48 1psy n GLN 72 N -3.30 2.43 -2.15 1.90 1.13 -0.27 -4.97 117.38 112.15 1psy n GLN 72 Ca 0.01 -2.19 -0.39 0.00 -1.94 0.00 0.00 57.00 52.49 1psy n GLN 72 Cb 0.51 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.37 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 -1.20 2.83 0.04 5.09 0.11 -1.04 -4.54 120.40 121.70 1psy s VAL 73 Ca 0.41 0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 60.11 1psy s VAL 73 Cb 0.21 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1psy s VAL 73 CO 0.27 0.10 1.10 0.54 -3.33 0.00 0.00 175.10 173.79 1psy n ARG 74 N 0.20 -0.12 0.00 1.54 1.74 -1.26 -4.85 116.66 113.91 1psy n ARG 74 Ca 0.03 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1psy n ARG 74 Cb 0.44 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1psy n ARG 74 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1psy n ASP 75 N -3.61 0.00 0.00 0.55 8.00 -1.26 -4.93 116.55 115.30 1psy n ASP 75 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1psy n ASP 75 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1psy n ASP 75 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1psy n GLU 76 N 0.00 0.39 0.00 -1.24 2.13 -1.26 -4.55 120.64 116.11 1psy n GLU 76 Ca 0.00 -0.56 0.11 0.00 0.66 0.00 0.00 57.16 57.37 1psy n GLU 76 Cb 0.00 -0.59 -0.00 0.00 0.27 0.00 0.00 31.44 31.12 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1psy h GLN 78 N 2.40 0.87 0.24 0.00 3.07 -1.94 0.27 115.11 120.02 1psy h GLN 78 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1psy h GLN 78 Cb 0.74 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1psy h GLN 78 CO 0.00 0.75 -0.12 0.00 0.09 0.00 0.00 178.83 179.56 1psy h GLU 80 N -0.88 0.00 -0.68 0.00 4.57 -1.77 0.26 114.58 116.08 1psy h GLU 80 Ca -0.03 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1psy h GLU 80 Cb 0.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1psy h GLU 80 CO 0.05 0.00 0.17 0.00 -1.18 0.00 0.00 179.01 178.06 1psy h ALA 81 N 1.42 1.02 0.07 2.92 0.00 -0.45 -1.50 119.26 122.74 1psy h ALA 81 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1psy h ALA 81 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1psy h ALA 81 CO -0.00 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.67 1psy h ILE 82 N 1.02 0.99 0.00 0.00 1.08 -0.35 -0.77 117.51 119.48 1psy h ILE 82 Ca 0.22 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1psy h ILE 82 Cb 0.35 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1psy h ILE 82 CO -0.00 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 177.80 1psy n LYS 83 N -5.09 0.03 -0.54 2.37 4.01 -1.14 0.65 118.16 118.45 1psy n LYS 83 Ca -0.08 0.28 0.10 0.00 -0.51 0.00 0.00 58.31 58.11 1psy n LYS 83 Cb 0.11 -1.50 0.35 0.00 -0.51 0.00 0.00 35.03 33.48 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 -1.46 1.33 0.15 2.13 9.36 -0.35 -3.41 117.16 124.92 1psy n TYR 84 Ca 0.03 -0.57 0.00 0.00 3.32 0.00 0.00 57.90 60.68 1psy n TYR 84 Cb 0.12 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 1psy n TYR 84 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 1psy n ILE 85 N 1.32 0.00 0.41 2.97 3.06 -0.30 -4.69 119.36 122.14 1psy n ILE 85 Ca 0.26 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.35 1psy n ILE 85 Cb 0.81 -0.12 -0.08 0.00 0.54 0.00 0.00 39.64 40.80 1psy n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1psy h ALA 86 N 0.00 -1.27 -0.19 1.51 0.00 -0.02 0.27 119.26 119.57 1psy h ALA 86 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1psy h ALA 86 Cb 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1psy h ALA 86 CO 0.00 -1.19 -0.60 1.49 0.00 0.00 0.00 179.25 178.94 1psy h GLU 87 N -1.05 0.62 0.62 0.00 4.57 -1.71 -0.78 114.58 116.87 1psy h GLU 87 Ca -0.11 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1psy h GLU 87 Cb 0.80 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1psy h GLU 87 CO 0.17 1.04 -0.41 0.22 -1.18 0.00 0.00 179.01 178.86 1psy h ASP 88 N 0.47 -1.04 -0.62 1.04 3.58 -1.57 0.28 116.42 118.55 1psy h ASP 88 Ca -0.00 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1psy h ASP 88 Cb 1.18 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 1psy h ASP 88 CO 0.12 -0.62 0.36 0.06 -2.88 0.00 0.00 179.24 176.28 1psy h GLN 89 N -0.98 0.87 -0.74 0.28 3.07 -0.46 0.53 115.11 117.68 1psy h GLN 89 Ca -0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.56 1psy h GLN 89 Cb 0.81 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 1psy h GLN 89 CO 0.06 0.63 0.38 0.82 0.09 0.00 0.00 178.83 180.81 1psy h ILE 90 N 0.88 1.23 0.04 1.86 2.04 -0.31 0.70 117.51 123.95 1psy h ILE 90 Ca 0.23 -0.61 -0.20 0.00 1.00 0.00 0.00 64.86 65.28 1psy h ILE 90 Cb 0.00 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1psy h ILE 90 CO -0.04 0.26 -0.79 1.56 0.00 0.00 0.00 178.15 179.14 1psy h GLN 91 N 1.02 0.46 0.47 2.37 4.20 0.45 -3.23 115.11 120.85 1psy h GLN 91 Ca 0.26 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1psy h GLN 91 Cb 0.07 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1psy h GLN 91 CO -0.04 1.20 -0.22 0.37 -0.67 0.00 0.00 178.83 179.47 1psy h GLN 92 N -0.03 -0.60 -6.75 1.46 4.15 0.18 -3.46 115.11 110.07 1psy h GLN 92 Ca -0.11 0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.01 1psy h GLN 92 Cb 1.51 0.14 0.20 0.00 0.21 0.00 0.00 27.48 29.54 1psy h GLN 92 CO 0.15 -0.40 -0.20 0.41 -1.93 0.00 0.00 178.83 176.86 1psy n GLY 93 N -0.19 -3.33 1.86 2.39 0.00 0.24 -4.87 105.19 101.29 1psy n GLY 93 Ca -0.08 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1psy n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1psy n GLN 94 N -4.70 1.65 -0.28 1.61 7.27 -1.26 -4.25 117.38 117.42 1psy n GLN 94 Ca 0.10 -1.10 0.06 0.00 0.07 0.00 0.00 57.00 56.13 1psy n GLN 94 Cb 0.54 -1.54 0.19 0.00 2.41 0.00 0.00 30.24 31.84 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1psy n LEU 95 N 1.06 2.57 0.00 1.69 7.99 -1.22 -4.78 117.00 124.31 1psy n LEU 95 Ca 0.25 -1.29 -0.17 0.00 -0.01 0.00 0.00 56.01 54.78 1psy n LEU 95 Cb 0.59 -0.36 0.09 0.00 -0.11 0.00 0.00 43.42 43.63 1psy n LEU 95 CO 0.22 0.52 0.41 1.41 -1.51 0.00 0.00 177.39 178.44 1psy n HIS 96 N 0.61 -3.03 0.00 -1.77 8.25 -1.25 -0.73 115.22 117.30 1psy n HIS 96 Ca 0.14 -1.32 0.00 0.00 -0.26 0.00 0.00 57.72 56.28 1psy n HIS 96 Cb 0.46 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.68 1.79 2.69 -1.41 0.00 -1.26 -3.44 105.19 102.89 1psy n GLY 97 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.78 -0.70 1.61 2.13 -1.26 -4.96 120.64 118.24 1psy n GLU 98 Ca 0.00 -1.45 -0.02 0.00 0.66 0.00 0.00 57.16 56.35 1psy n GLU 98 Cb 0.00 -0.33 -0.02 0.00 0.27 0.00 0.00 31.44 31.36 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 -0.14 0.00 -0.00 5.31 0.28 -1.22 -4.90 120.64 119.96 1psy n GLU 99 Ca -0.06 -0.44 -0.15 0.00 -0.16 0.00 0.00 57.16 56.35 1psy n GLU 99 Cb 0.75 0.15 -0.14 0.00 1.43 0.00 0.00 31.44 33.64 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 0.02 0.21 0.53 -1.84 0.87 -1.18 -3.34 113.55 108.82 1psy h SER 100 Ca -0.20 -0.45 -0.17 0.00 -1.23 0.00 0.00 61.79 59.73 1psy h SER 100 Cb 1.18 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1psy h SER 100 CO -0.10 1.41 -0.74 -0.08 -0.53 0.00 0.00 176.83 176.79 1psy h GLU 101 N 0.04 0.17 0.00 2.24 4.57 -1.91 -2.13 114.58 117.56 1psy h GLU 101 Ca -0.34 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1psy h GLU 101 Cb 2.02 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.65 1psy h GLU 101 CO 0.09 0.83 -0.08 0.07 -1.18 0.00 0.00 179.01 178.75 1psy h ARG 102 N 0.11 0.00 0.00 1.92 0.11 -1.92 -1.17 114.38 113.43 1psy h ARG 102 Ca -0.02 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 1psy h ARG 102 Cb 1.30 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.36 1psy h ARG 102 CO 0.11 0.08 -0.80 0.28 0.10 0.00 0.00 179.97 179.73 1psy h VAL 103 N 0.00 1.40 -0.93 0.08 2.07 -1.50 -3.22 116.25 114.14 1psy h VAL 103 Ca -0.00 -2.92 0.02 0.00 0.82 0.00 0.00 66.70 64.61 1psy h VAL 103 Cb 0.17 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 1psy h VAL 103 CO 0.01 0.79 0.61 0.00 0.02 0.00 0.00 177.57 179.00 1psy h ALA 104 N 1.20 1.36 -0.23 1.67 0.00 -0.98 0.12 119.26 122.39 1psy h ALA 104 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1psy h ALA 104 Cb 1.59 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1psy h ALA 104 CO 0.10 0.58 -0.03 1.96 0.00 0.00 0.00 179.25 181.87 1psy h GLN 105 N 1.23 0.43 -0.35 0.00 4.20 -1.57 0.48 115.11 119.54 1psy h GLN 105 Ca 0.35 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.92 1psy h GLN 105 Cb -0.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1psy h GLN 105 CO -0.09 0.65 0.19 0.00 -0.67 0.00 0.00 178.83 178.91 1psy h ARG 106 N 0.18 0.38 0.36 1.46 -0.00 -1.35 0.34 114.38 115.75 1psy h ARG 106 Ca 0.06 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1psy h ARG 106 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.36 1psy h ARG 106 CO 0.02 0.25 -0.17 0.00 0.00 0.00 0.00 179.97 180.07 1psy h ALA 107 N 1.17 -0.55 -1.40 0.04 0.00 -0.73 -3.25 119.26 114.55 1psy h ALA 107 Ca 0.14 -0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.36 1psy h ALA 107 Cb 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1psy h ALA 107 CO -0.08 -0.51 0.97 0.78 0.00 0.00 0.00 179.25 180.41 1psy h GLY 108 N -1.00 0.56 0.61 0.00 0.00 -0.04 0.16 103.07 103.36 1psy h GLY 108 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1psy h GLY 108 CO 0.08 -0.14 -0.12 0.83 0.00 0.00 0.00 176.54 177.19 1psy h GLU 109 N 0.08 -0.17 0.00 4.80 4.39 -0.35 0.85 114.58 124.19 1psy h GLU 109 Ca 0.74 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.33 1psy h GLU 109 Cb 2.62 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 31.29 1psy h GLU 109 CO -0.17 -0.11 -0.57 0.82 -1.16 0.00 0.00 179.01 177.82 1psy h ILE 110 N -0.17 1.18 0.22 3.13 1.08 -0.80 -2.97 117.51 119.18 1psy h ILE 110 Ca 0.07 -2.14 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 1psy h ILE 110 Cb 0.27 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1psy h ILE 110 CO -0.17 0.56 -0.20 0.58 -0.69 0.00 0.00 178.15 178.23 1psy h VAL 111 N 0.00 0.56 -0.08 1.67 2.07 -0.46 0.13 116.25 120.13 1psy h VAL 111 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1psy h VAL 111 Cb 1.18 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1psy h VAL 111 CO 0.07 0.00 0.10 0.77 0.02 0.00 0.00 177.57 178.53 1psy h SER 112 N -0.45 0.00 0.00 0.57 4.64 -0.81 0.79 113.55 118.28 1psy h SER 112 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1psy h SER 112 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1psy h SER 112 CO -0.04 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.72 1psy n SER 113 N -3.73 0.00 -2.71 4.97 7.64 -0.28 -4.83 113.62 114.69 1psy n SER 113 Ca -0.01 0.20 -0.06 0.00 1.01 0.00 0.00 58.87 60.01 1psy n SER 113 Cb 0.20 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1psy n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1psy n GLY 115 N -0.44 0.61 2.75 0.00 0.00 -0.31 -4.36 105.19 103.43 1psy n GLY 115 Ca 0.03 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 0.08 2.18 0.00 1.61 3.14 0.12 -4.40 118.33 121.06 1psy n VAL 116 Ca 0.01 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 59.96 1psy n VAL 116 Cb 0.76 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 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 4.91 0.00 0.00 1.45 5.12 -1.26 -4.40 116.66 122.48 1psy n ARG 117 Ca 0.44 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 1psy n ARG 117 Cb 0.19 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 1psy n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1psy n MET 119 N -0.13 1.15 -0.55 0.00 2.81 -1.26 -4.45 117.12 114.69 1psy n MET 119 Ca 0.00 -0.90 -0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1psy n MET 119 Cb 0.03 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1psy n MET 119 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1psy n ARG 120 N -0.14 0.00 0.00 0.03 3.00 -1.26 -4.94 116.66 113.35 1psy n ARG 120 Ca 0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1psy n ARG 120 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 32.85 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 0.01 0.00 -3.97 -0.14 -0.06 -1.25 -4.82 117.38 107.15 1psy n GLN 121 Ca -0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.88 1psy n GLN 121 Cb 0.56 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.71 1psy n GLN 121 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1psy s THR 122 N -1.67 0.00 -0.81 1.69 2.01 -1.22 -4.63 115.64 111.00 1psy s THR 122 Ca 0.00 -1.34 -0.22 0.00 0.31 0.00 0.00 61.69 60.44 1psy s THR 122 Cb 0.00 -2.49 -0.19 0.00 0.01 0.00 0.00 72.50 69.83 1psy s THR 122 CO 0.00 0.00 2.38 -1.14 -0.69 0.00 0.00 174.62 175.17 1psy n ARG 123 N -0.48 0.44 0.03 4.92 0.63 -1.26 -4.78 116.66 116.16 1psy n ARG 123 Ca -0.03 -0.38 -0.03 0.00 -0.92 0.00 0.00 57.85 56.50 1psy n ARG 123 Cb 0.61 -2.69 -0.01 0.00 0.45 0.00 0.00 32.46 30.82 1psy n ARG 123 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1psy h THR 124 N 7.55 0.00 0.00 5.15 1.35 -1.92 -3.54 112.91 121.50 1psy h THR 124 Ca -0.04 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1psy h THR 124 Cb 1.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1psy h THR 124 CO 1.24 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 177.10