#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 1.43 -0.30 0.00 -1.05 -1.26 -5.15 118.70 112.38 1psy s GLU 2 Ca 0.00 -1.01 -0.09 0.00 -0.15 0.00 0.00 54.97 53.71 1psy s GLU 2 Cb 0.00 0.50 0.19 0.00 -0.44 0.00 0.00 34.13 34.37 1psy s GLU 2 CO 0.00 -0.60 0.98 0.12 0.95 0.00 0.00 175.26 176.71 1psy s PHE 3 N -3.93 -0.67 -0.05 4.83 2.19 -1.26 -5.17 117.98 113.92 1psy s PHE 3 Ca 0.14 0.42 -0.25 0.00 0.33 0.00 0.00 56.93 57.57 1psy s PHE 3 Cb -0.01 0.13 0.05 0.00 -1.31 0.00 0.00 43.02 41.88 1psy s PHE 3 CO 0.01 -0.39 0.56 -1.64 1.83 0.00 0.00 175.22 175.60 1psy s MET 4 N 2.94 0.91 0.03 10.12 -1.94 -1.26 -5.17 119.30 124.93 1psy s MET 4 Ca 0.22 0.17 -0.29 0.00 -1.71 0.00 0.00 55.69 54.08 1psy s MET 4 Cb -0.04 0.42 0.10 0.00 2.01 0.00 0.00 34.83 37.32 1psy s MET 4 CO -0.22 -0.26 1.09 -1.21 -0.01 0.00 0.00 175.02 174.41 1psy s GLU 5 N -1.11 0.76 0.00 2.03 2.02 -1.26 -5.18 118.70 115.96 1psy s GLU 5 Ca -0.11 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1psy s GLU 5 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1psy s GLU 5 CO 0.07 -0.35 0.00 0.45 0.02 0.00 0.00 175.26 175.46 1psy n SER 6 N -0.41 0.00 -4.05 -0.19 2.88 -1.26 -5.19 113.62 105.40 1psy n SER 6 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 1psy n SER 6 Cb 0.61 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 1psy n SER 6 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1psy s LYS 7 N -0.68 0.76 0.00 -1.46 -2.85 -1.26 -5.13 119.74 109.12 1psy s LYS 7 Ca 0.00 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1psy s LYS 7 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1psy s LYS 7 CO 0.00 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1psy n GLY 8 N 0.01 2.44 3.05 0.59 0.00 -1.26 -5.18 105.19 104.84 1psy n GLY 8 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.53 0.25 0.24 1.61 2.12 -1.26 -5.17 118.70 115.96 1psy s GLU 9 Ca 0.00 0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.21 1psy s GLU 9 Cb 0.00 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.53 1psy s GLU 9 CO 0.00 -0.04 0.62 0.50 -0.54 0.00 0.00 175.26 175.79 1psy s ARG 10 N -0.26 1.59 -0.02 4.30 3.52 -1.26 -5.18 118.95 121.63 1psy s ARG 10 Ca -0.03 -0.94 -0.08 0.00 -0.13 0.00 0.00 55.73 54.55 1psy s ARG 10 Cb -0.03 0.56 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1psy s ARG 10 CO 0.01 -0.70 0.18 -2.00 -0.81 0.00 0.00 175.30 171.97 1psy s GLU 11 N -3.90 0.43 0.27 5.12 2.56 -1.26 -5.17 118.70 116.76 1psy s GLU 11 Ca 0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 54.97 54.82 1psy s GLU 11 Cb -0.03 0.19 -0.00 0.00 2.00 0.00 0.00 34.13 36.28 1psy s GLU 11 CO 0.02 -0.10 0.47 0.20 -0.56 0.00 0.00 175.26 175.30 1psy s GLY 12 N -0.92 0.79 0.00 -1.50 0.00 -1.26 -5.13 107.32 99.30 1psy s GLY 12 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1psy s GLY 12 CO 0.02 -0.74 0.00 1.44 0.00 0.00 0.00 173.10 173.82 1psy n SER 13 N -0.66 0.00 -3.81 1.64 7.64 -1.26 -5.10 113.62 112.07 1psy n SER 13 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1psy n SER 13 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1psy n SER 14 N -0.70 0.00 -3.95 6.43 3.41 -1.26 -5.05 113.62 112.51 1psy n SER 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1psy n SER 14 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -0.25 4.04 2.88 -1.26 -4.82 113.62 114.21 1psy n SER 15 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1psy n SER 15 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1psy n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1psy n GLN 16 N 0.00 -0.26 -2.68 -1.46 7.27 -1.26 -4.20 117.38 114.79 1psy n GLN 16 Ca 0.00 1.26 -0.06 0.00 0.07 0.00 0.00 57.00 58.27 1psy n GLN 16 Cb 0.00 -1.86 0.11 0.00 2.41 0.00 0.00 30.24 30.90 1psy n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1psy n GLN 17 N -4.33 1.12 0.04 3.69 10.64 -1.26 -4.99 117.38 122.29 1psy n GLN 17 Ca 0.01 -1.65 -0.03 0.00 -1.83 0.00 0.00 57.00 53.51 1psy n GLN 17 Cb 0.15 0.01 -0.01 0.00 -0.86 0.00 0.00 30.24 29.53 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 -4.14 -0.03 0.00 0.00 0.63 -1.26 0.28 116.66 112.13 1psy n ARG 19 Ca -0.02 1.11 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 1psy n ARG 19 Cb 0.07 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 30.83 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 -4.53 0.00 0.25 -0.14 0.00 -1.24 -1.32 117.38 110.41 1psy n GLN 20 Ca 0.35 0.17 0.11 0.00 -0.00 0.00 0.00 57.00 57.62 1psy n GLN 20 Cb 1.32 -1.07 0.67 0.00 0.00 0.00 0.00 30.24 31.17 1psy n GLN 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1psy h GLU 21 N 0.00 0.00 -0.57 3.69 5.08 -1.14 -2.55 114.58 119.09 1psy h GLU 21 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1psy h GLU 21 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1psy h GLU 21 CO 0.00 0.14 0.29 0.28 -1.00 0.00 0.00 179.01 178.72 1psy h VAL 22 N 0.00 0.94 0.00 3.13 2.07 -0.19 -0.41 116.25 121.79 1psy h VAL 22 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1psy h VAL 22 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1psy h VAL 22 CO 0.02 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1psy n GLN 23 N -4.87 0.82 0.00 1.57 10.64 -0.44 -3.41 117.38 121.70 1psy n GLN 23 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1psy n GLN 23 Cb 0.16 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 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 0.83 0.00 0.00 2.61 1.74 -0.55 -5.05 116.66 116.24 1psy n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1psy n ARG 24 Cb 0.41 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 -2.19 0.00 -1.39 5.56 2.85 -0.27 -4.89 118.16 117.82 1psy n LYS 25 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1psy n LYS 25 Cb 0.00 -0.07 0.03 0.00 -0.65 0.00 0.00 35.03 34.34 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 -1.97 -1.94 0.00 -5.58 9.92 -1.23 -3.91 116.55 111.84 1psy n ASP 26 Ca 0.00 0.70 0.00 0.00 -0.53 0.00 0.00 54.79 54.96 1psy n ASP 26 Cb 0.00 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 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 1.14 0.00 -1.07 0.64 7.99 -1.26 -4.56 117.00 119.88 1psy n LEU 27 Ca 0.10 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.12 1psy n LEU 27 Cb 0.47 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.80 1psy n LEU 27 CO 0.52 0.00 0.14 -0.24 -1.51 0.00 0.00 177.39 176.30 1psy n SER 28 N 0.00 0.56 0.00 -1.43 2.88 -1.25 -4.40 113.62 109.97 1psy n SER 28 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 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 0.28 0.00 -0.12 -3.46 2.88 -1.26 -4.86 113.62 107.08 1psy n SER 29 Ca 0.03 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 1psy n SER 29 Cb 0.95 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.44 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 0.05 0.00 -0.20 0.00 3.07 -1.90 -2.93 114.58 112.68 1psy h GLU 31 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1psy h GLU 31 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1psy h GLU 31 CO -0.38 0.82 0.08 -0.09 -1.40 0.00 0.00 179.01 178.05 1psy h ARG 32 N 0.00 0.27 0.31 2.33 2.43 -1.41 0.15 114.38 118.47 1psy h ARG 32 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1psy h ARG 32 Cb 1.49 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1psy h ARG 32 CO 0.11 0.22 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.69 1psy h TYR 33 N 0.27 -0.47 0.00 2.20 3.20 0.09 0.47 116.97 122.73 1psy h TYR 33 Ca 0.07 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1psy h TYR 33 Cb 0.05 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1psy h TYR 33 CO 0.00 -0.28 -0.38 1.37 -1.64 0.00 0.00 178.16 177.23 1psy h LEU 34 N -0.47 0.00 -0.34 2.82 8.10 -1.61 -3.13 115.31 120.68 1psy h LEU 34 Ca -0.03 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.84 1psy h LEU 34 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1psy h LEU 34 CO 0.04 0.38 -0.23 -0.09 -4.11 0.00 0.00 178.44 174.43 1psy h ARG 35 N 0.00 0.76 0.00 0.17 2.43 -0.41 -3.45 114.38 113.87 1psy h ARG 35 Ca -0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1psy h ARG 35 Cb 1.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1psy h ARG 35 CO 0.05 0.98 0.00 1.04 -1.51 0.00 0.00 179.97 180.53 1psy n GLN 36 N -4.26 0.27 -0.00 0.20 6.02 0.16 -5.04 117.38 114.73 1psy n GLN 36 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.76 1psy n GLN 36 Cb 0.44 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.57 1psy n GLN 36 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1psy h SER 37 N 0.00 0.33 -3.21 1.08 0.02 -1.86 -3.48 113.55 106.42 1psy h SER 37 Ca 0.00 -0.85 0.11 0.00 -0.84 0.00 0.00 61.79 60.21 1psy h SER 37 Cb 0.00 -0.11 -0.27 0.00 0.14 0.00 0.00 62.40 62.16 1psy h SER 37 CO 0.00 1.52 0.61 -0.44 -1.14 0.00 0.00 176.83 177.38 1psy s SER 38 N -6.94 -0.31 0.58 3.07 0.01 -1.26 -5.02 113.70 103.82 1psy s SER 38 Ca -0.20 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.41 1psy s SER 38 Cb 0.03 0.50 -0.11 0.00 0.21 0.00 0.00 66.02 66.66 1psy s SER 38 CO 0.75 -0.16 0.20 -1.20 0.41 0.00 0.00 173.24 173.24 1psy n SER 39 N 1.57 -2.35 -3.39 2.44 7.64 -1.26 -5.02 113.62 113.24 1psy n SER 39 Ca -0.10 0.66 -0.10 0.00 1.01 0.00 0.00 58.87 60.34 1psy n SER 39 Cb 0.57 -1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1psy n SER 39 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1psy s ARG 40 N -1.72 1.94 0.92 1.43 3.52 -1.26 -5.02 118.95 118.75 1psy s ARG 40 Ca 0.62 -1.40 -0.13 0.00 -0.13 0.00 0.00 55.73 54.70 1psy s ARG 40 Cb -0.44 0.55 0.05 0.00 -1.56 0.00 0.00 34.95 33.54 1psy s ARG 40 CO 0.61 -0.86 0.58 2.89 -0.81 0.00 0.00 175.30 177.71 1psy n ARG 41 N -0.50 -0.23 0.00 5.12 1.85 -1.26 -5.01 116.66 116.63 1psy n ARG 41 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1psy n ARG 41 Cb 0.61 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 1psy n ARG 41 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1psy n SER 42 N -1.80 0.00 -4.71 2.89 2.88 -1.26 -5.14 113.62 106.48 1psy n SER 42 Ca 0.08 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.21 1psy n SER 42 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1psy s THR 43 N -2.11 4.92 0.00 2.46 -4.23 -1.26 -4.93 115.64 110.48 1psy s THR 43 Ca 0.00 1.86 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 1psy s THR 43 Cb 0.00 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.61 1psy s THR 43 CO 0.00 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1psy n GLY 44 N 3.00 3.48 0.00 3.99 0.00 -1.26 -4.97 105.19 109.42 1psy n GLY 44 Ca 0.04 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.68 1psy n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1psy n GLU 45 N 0.00 0.77 -2.44 1.61 -0.58 -1.26 -4.23 120.64 114.51 1psy n GLU 45 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1psy n GLU 45 Cb 0.00 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1psy n GLU 46 N -0.91 4.98 -2.92 3.49 2.13 -1.26 -4.58 120.64 121.56 1psy n GLU 46 Ca 0.15 -4.19 -0.13 0.00 0.66 0.00 0.00 57.16 53.66 1psy n GLU 46 Cb 0.07 -2.55 0.04 0.00 0.27 0.00 0.00 31.44 29.26 1psy n GLU 46 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1psy n VAL 47 N 0.86 -0.04 -2.46 6.31 0.31 -1.26 -4.93 118.33 117.11 1psy n VAL 47 Ca 0.50 -2.86 -0.07 0.00 -0.01 0.00 0.00 64.34 61.89 1psy n VAL 47 Cb 0.27 0.71 0.05 0.00 -0.91 0.00 0.00 33.84 33.95 1psy n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psy n LEU 48 N 0.28 2.72 -3.79 7.52 -0.00 -1.26 -5.03 117.00 117.44 1psy n LEU 48 Ca 0.14 -3.57 -0.14 0.00 -0.00 0.00 0.00 56.01 52.44 1psy n LEU 48 Cb 0.69 0.10 -0.15 0.00 -0.00 0.00 0.00 43.42 44.07 1psy n LEU 48 CO 0.11 1.37 -0.30 -0.60 -0.00 0.00 0.00 177.39 177.98 1psy s ARG 49 N -3.38 0.03 -0.05 1.47 6.06 -1.26 -5.05 118.95 116.77 1psy s ARG 49 Ca 0.36 0.22 -0.22 0.00 -2.50 0.00 0.00 55.73 53.59 1psy s ARG 49 Cb 0.36 -0.15 -0.16 0.00 0.06 0.00 0.00 34.95 35.06 1psy s ARG 49 CO -0.03 -0.12 0.89 0.52 -2.50 0.00 0.00 175.30 174.06 1psy h MET 50 N 6.92 -0.18 0.00 5.12 2.86 -2.02 -3.32 114.93 124.31 1psy h MET 50 Ca -0.39 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1psy h MET 50 Cb 1.15 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1psy h MET 50 CO 0.46 0.28 0.00 -1.00 1.06 0.00 0.00 176.91 177.71 1psy h PRO 51 N -0.84 0.00 -2.50 -0.22 0.13 -1.97 -3.37 132.00 123.23 1psy h PRO 51 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1psy h PRO 51 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1psy h PRO 51 CO 0.03 0.00 -0.14 0.41 -0.23 0.00 0.00 178.00 178.07 1psy n GLY 52 N 0.34 -3.20 0.33 1.56 0.00 -1.25 -3.95 105.19 99.02 1psy n GLY 52 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.54 -0.74 -2.02 1.61 3.58 -1.94 -3.34 116.42 114.11 1psy h ASP 53 Ca -0.01 0.03 -0.76 0.00 0.42 0.00 0.00 57.03 56.71 1psy h ASP 53 Cb 0.03 0.20 -0.19 0.00 1.72 0.00 0.00 39.33 41.09 1psy h ASP 53 CO 0.00 -0.50 1.51 -0.62 -2.88 0.00 0.00 179.24 176.76 1psy n GLU 54 N -4.28 3.64 -3.64 0.28 -0.58 -1.26 -4.86 120.64 109.95 1psy n GLU 54 Ca -0.10 -3.85 -0.02 0.00 -0.42 0.00 0.00 57.16 52.77 1psy n GLU 54 Cb 0.33 -2.88 -0.03 0.00 -0.57 0.00 0.00 31.44 28.29 1psy n GLU 54 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1psy s ASN 55 N 1.22 -0.02 -0.49 1.62 2.47 -1.25 -4.11 114.94 114.38 1psy s ASN 55 Ca 0.39 0.01 -0.47 0.00 0.42 0.00 0.00 52.86 53.21 1psy s ASN 55 Cb 0.03 0.02 -0.20 0.00 -1.45 0.00 0.00 41.25 39.65 1psy s ASN 55 CO 0.01 -0.03 1.61 1.67 -3.72 0.00 0.00 177.10 176.64 1psy n GLN 56 N 0.15 0.05 -1.77 0.43 7.27 -1.26 -4.72 117.38 117.53 1psy n GLN 56 Ca 0.04 0.02 -0.23 0.00 0.07 0.00 0.00 57.00 56.89 1psy n GLN 56 Cb 0.57 -1.53 -0.05 0.00 2.41 0.00 0.00 30.24 31.64 1psy n GLN 56 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1psy s GLN 57 N 3.06 2.07 0.00 3.69 -0.44 -1.26 -4.75 119.66 122.03 1psy s GLN 57 Ca 1.05 0.36 0.00 0.00 -2.50 0.00 0.00 55.36 54.27 1psy s GLN 57 Cb -1.48 -4.81 0.00 0.00 -1.64 0.00 0.00 33.01 25.08 1psy s GLN 57 CO 0.81 -3.79 0.00 0.94 0.50 0.00 0.00 175.29 173.75 1psy n GLN 58 N 8.89 0.00 -1.52 1.67 0.00 -1.25 -5.09 117.38 120.08 1psy n GLN 58 Ca 0.41 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 57.09 1psy n GLN 58 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.59 1psy n GLN 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1psy n GLU 59 N -0.13 0.38 -2.69 3.69 -0.58 -1.26 -4.63 120.64 115.41 1psy n GLU 59 Ca 0.00 -0.13 -0.06 0.00 -0.42 0.00 0.00 57.16 56.55 1psy n GLU 59 Cb 0.00 -2.28 0.09 0.00 -0.57 0.00 0.00 31.44 28.68 1psy n GLU 59 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1psy n SER 60 N 12.30 -1.70 0.14 1.62 3.41 -1.26 -4.97 113.62 123.16 1psy n SER 60 Ca 0.55 -2.55 0.10 0.00 -0.26 0.00 0.00 58.87 56.71 1psy n SER 60 Cb 0.26 1.38 0.50 0.00 -0.26 0.00 0.00 64.21 66.09 1psy n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1psy n GLN 61 N 0.12 0.13 0.12 4.33 10.64 -1.26 -1.52 117.38 129.93 1psy n GLN 61 Ca -0.05 0.60 -0.05 0.00 -1.83 0.00 0.00 57.00 55.67 1psy n GLN 61 Cb 0.74 -1.89 -0.02 0.00 -0.86 0.00 0.00 30.24 28.20 1psy n GLN 61 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1psy h GLN 62 N 0.00 -0.32 0.00 2.61 4.20 -1.95 -3.25 115.11 116.40 1psy h GLN 62 Ca 0.00 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1psy h GLN 62 Cb 0.04 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1psy h GLN 62 CO 0.00 -0.21 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.87 1psy h LEU 63 N -0.58 0.00 -1.61 1.46 4.07 -1.94 -1.79 115.31 114.92 1psy h LEU 63 Ca -0.03 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.10 1psy h LEU 63 Cb 0.25 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 1psy h LEU 63 CO 0.05 0.01 0.53 -0.61 -1.08 0.00 0.00 178.44 177.35 1psy h GLN 64 N 0.00 0.35 -0.29 1.13 4.15 -1.31 0.23 115.11 119.36 1psy h GLN 64 Ca -0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1psy h GLN 64 Cb 0.23 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1psy h GLN 64 CO 0.00 0.23 -0.04 1.96 -1.93 0.00 0.00 178.83 179.05 1psy h GLN 65 N 0.36 0.46 -0.03 1.69 4.20 -1.36 0.12 115.11 120.55 1psy h GLN 65 Ca 0.39 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 1psy h GLN 65 Cb 1.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1psy h GLN 65 CO -0.12 0.53 -0.10 0.00 -0.67 0.00 0.00 178.83 178.47 1psy h ASN 68 N -0.19 0.00 -0.00 0.00 -1.24 -0.84 0.26 115.58 113.56 1psy h ASN 68 Ca 0.06 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1psy h ASN 68 Cb 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1psy h ASN 68 CO -0.16 0.00 -0.16 1.56 -1.29 0.00 0.00 177.43 177.38 1psy h GLN 69 N 0.00 0.11 0.00 6.67 1.08 0.45 -3.18 115.11 120.25 1psy h GLN 69 Ca 0.02 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1psy h GLN 69 Cb 0.10 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1psy h GLN 69 CO -0.00 0.86 0.00 0.28 -0.95 0.00 0.00 178.83 179.02 1psy n VAL 70 N -4.58 0.79 0.55 -0.54 0.31 0.16 -1.66 118.33 113.35 1psy n VAL 70 Ca -0.10 0.18 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 1psy n VAL 70 Cb 0.46 -0.93 0.45 0.00 -0.91 0.00 0.00 33.84 32.91 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 -1.68 0.20 -0.24 5.55 3.00 0.86 -2.31 118.16 123.53 1psy n LYS 71 Ca 0.04 0.29 0.11 0.00 -0.00 0.00 0.00 58.31 58.75 1psy n LYS 71 Cb 0.22 -1.79 0.27 0.00 0.00 0.00 0.00 35.03 33.73 1psy n LYS 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1psy n GLN 72 N -2.14 2.41 -2.26 1.64 6.02 -0.67 -4.95 117.38 117.44 1psy n GLN 72 Ca 0.04 -2.16 -0.37 0.00 -0.01 0.00 0.00 57.00 54.50 1psy n GLN 72 Cb 0.32 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 1psy n GLN 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1psy s VAL 73 N -1.37 3.11 -0.03 5.09 1.01 -0.98 -4.42 120.40 122.82 1psy s VAL 73 Ca 0.40 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1psy s VAL 73 Cb 0.22 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1psy s VAL 73 CO 0.30 -0.01 0.34 0.03 0.00 0.00 0.00 175.10 175.76 1psy h ARG 74 N 2.07 -0.18 0.00 2.72 3.08 -1.91 -3.50 114.38 116.66 1psy h ARG 74 Ca -0.49 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1psy h ARG 74 Cb 1.25 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1psy h ARG 74 CO 0.60 -0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 179.13 1psy n ASP 75 N -3.58 0.00 -0.38 7.04 9.92 -1.26 -4.94 116.55 123.35 1psy n ASP 75 Ca -0.02 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.35 1psy n ASP 75 Cb 0.07 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.97 0.00 -1.24 0.00 -1.26 -3.39 120.64 115.72 1psy n GLU 76 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 57.16 56.48 1psy n GLU 76 Cb 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 31.44 29.99 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 2.57 0.54 0.05 0.00 3.07 -1.95 0.23 115.11 119.61 1psy h GLN 78 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.67 1psy h GLN 78 Cb 0.62 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1psy h GLN 78 CO 0.00 0.44 -0.02 0.00 0.09 0.00 0.00 178.83 179.34 1psy h GLU 80 N -0.97 0.00 -0.87 0.00 4.81 -1.76 0.80 114.58 116.59 1psy h GLU 80 Ca -0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1psy h GLU 80 Cb 0.52 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1psy h GLU 80 CO 0.01 0.00 0.57 0.00 -0.73 0.00 0.00 179.01 178.86 1psy h ALA 81 N 1.59 1.11 -0.21 2.92 0.00 -0.51 -1.64 119.26 122.52 1psy h ALA 81 Ca 0.25 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1psy h ALA 81 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1psy h ALA 81 CO -0.00 0.48 -0.46 0.82 0.00 0.00 0.00 179.25 180.09 1psy h ILE 82 N 1.16 1.31 0.00 0.00 1.08 -0.82 -0.40 117.51 119.84 1psy h ILE 82 Ca 0.33 -1.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1psy h ILE 82 Cb -0.10 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1psy h ILE 82 CO -0.08 0.52 0.00 0.29 -0.69 0.00 0.00 178.15 178.19 1psy n LYS 83 N -4.00 0.09 -0.04 2.37 4.01 -0.72 -0.96 118.16 118.92 1psy n LYS 83 Ca -0.02 0.24 -0.04 0.00 -0.51 0.00 0.00 58.31 57.98 1psy n LYS 83 Cb 0.55 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.56 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 -1.38 0.00 0.05 2.13 9.36 -0.70 -4.62 117.16 122.00 1psy n TYR 84 Ca 0.04 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.14 1psy n TYR 84 Cb 0.10 -0.23 -0.06 0.00 -0.63 0.00 0.00 39.34 38.52 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 -0.46 0.90 0.00 2.97 -0.00 -1.11 0.22 117.51 120.03 1psy h ILE 85 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 64.86 64.73 1psy h ILE 85 Cb 0.46 0.90 -0.05 0.00 -0.00 0.00 0.00 36.82 38.14 1psy h ILE 85 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 178.15 177.97 1psy n ALA 86 N -2.19 5.02 0.01 0.18 0.00 -0.13 -3.09 120.51 120.31 1psy n ALA 86 Ca -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1psy n ALA 86 Cb 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 2.41 0.00 -0.05 0.00 2.13 -1.09 -4.81 120.64 119.22 1psy n GLU 87 Ca 0.28 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.02 1psy n GLU 87 Cb 0.68 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.37 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1psy h ASP 88 N 0.00 -0.02 0.23 4.31 3.58 -0.50 0.22 116.42 124.23 1psy h ASP 88 Ca 0.00 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1psy h ASP 88 Cb 0.00 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1psy h ASP 88 CO 0.00 0.02 -0.02 0.06 -2.88 0.00 0.00 179.24 176.42 1psy h GLN 89 N 0.11 0.00 -0.03 0.28 3.07 -1.78 0.26 115.11 117.02 1psy h GLN 89 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.82 1psy h GLN 89 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1psy h GLN 89 CO -0.15 0.02 -0.08 0.82 0.09 0.00 0.00 178.83 179.53 1psy h ILE 90 N 0.00 1.47 -0.21 1.86 2.04 -0.90 0.30 117.51 122.07 1psy h ILE 90 Ca -0.00 -1.52 -0.15 0.00 1.00 0.00 0.00 64.86 64.19 1psy h ILE 90 Cb 0.14 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1psy h ILE 90 CO 0.00 0.41 -0.49 1.56 0.00 0.00 0.00 178.15 179.64 1psy h GLN 91 N -0.48 0.56 0.14 2.37 4.20 -0.59 -3.15 115.11 118.16 1psy h GLN 91 Ca -0.00 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1psy h GLN 91 Cb 0.71 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1psy h GLN 91 CO 0.02 0.92 -0.07 0.37 -0.67 0.00 0.00 178.83 179.40 1psy h GLN 92 N 0.44 -0.18 -7.19 1.46 5.75 -0.57 -3.46 115.11 111.36 1psy h GLN 92 Ca 0.02 0.01 -0.40 0.00 -0.15 0.00 0.00 58.65 58.14 1psy h GLN 92 Cb 1.01 0.04 0.21 0.00 1.07 0.00 0.00 27.48 29.81 1psy h GLN 92 CO 0.09 0.25 -0.01 0.20 -2.65 0.00 0.00 178.83 176.71 1psy s GLY 93 N -3.40 1.49 -0.09 2.39 0.00 0.10 -4.90 107.32 102.91 1psy s GLY 93 Ca -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1psy s GLY 93 CO 0.42 0.08 3.09 -1.06 0.00 0.00 0.00 173.10 175.64 1psy n GLN 94 N -5.29 1.86 -3.27 2.90 6.02 -1.26 -4.80 117.38 113.54 1psy n GLN 94 Ca 0.13 -1.06 -0.46 0.00 -0.01 0.00 0.00 57.00 55.61 1psy n GLN 94 Cb 0.60 -1.81 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 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 -0.45 6.38 0.00 1.08 2.01 -1.19 -4.91 118.68 121.60 1psy s LEU 95 Ca 0.51 -2.92 -0.01 0.00 0.01 0.00 0.00 54.13 51.72 1psy s LEU 95 Cb 0.26 -2.24 0.01 0.00 0.01 0.00 0.00 46.19 44.23 1psy s LEU 95 CO -0.04 -0.54 0.13 1.41 1.01 0.00 0.00 176.35 178.32 1psy n HIS 96 N 3.94 -0.86 0.00 0.29 8.25 -1.26 -4.59 115.22 120.98 1psy n HIS 96 Ca 0.19 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1psy n HIS 96 Cb 0.45 0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.13 0.88 1.32 -1.41 0.00 -1.26 -1.63 105.19 102.96 1psy n GLY 97 Ca -0.00 0.34 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 0.31 -0.06 1.61 2.13 -1.26 -4.95 120.64 118.42 1psy n GLU 98 Ca 0.00 -0.76 0.03 0.00 0.66 0.00 0.00 57.16 57.09 1psy n GLU 98 Cb 0.00 0.44 0.06 0.00 0.27 0.00 0.00 31.44 32.21 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 -0.35 2.58 0.00 5.31 0.28 -0.65 -4.61 120.64 123.21 1psy n GLU 99 Ca -0.18 -1.88 -0.08 0.00 -0.16 0.00 0.00 57.16 54.87 1psy n GLU 99 Cb 0.63 -1.19 -0.13 0.00 1.43 0.00 0.00 31.44 32.19 1psy n GLU 99 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1psy h SER 100 N 0.31 0.00 1.01 -1.84 4.64 -1.81 -3.34 113.55 112.52 1psy h SER 100 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1psy h SER 100 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1psy h SER 100 CO 0.01 0.98 -0.34 -0.08 -0.87 0.00 0.00 176.83 176.53 1psy h GLU 101 N 0.00 0.00 0.00 4.77 4.81 -1.96 -2.28 114.58 119.93 1psy h GLU 101 Ca -0.21 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1psy h GLU 101 Cb 1.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 1psy h GLU 101 CO 0.09 0.34 -0.19 0.07 -0.73 0.00 0.00 179.01 178.59 1psy h ARG 102 N 0.00 0.00 0.00 1.92 0.11 -1.84 -2.30 114.38 112.26 1psy h ARG 102 Ca -0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.91 1psy h ARG 102 Cb 0.94 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.99 1psy h ARG 102 CO 0.04 0.19 -0.77 0.28 0.10 0.00 0.00 179.97 179.81 1psy h VAL 103 N 0.00 1.39 -0.08 0.08 2.07 -1.55 -2.61 116.25 115.55 1psy h VAL 103 Ca -0.00 -2.80 -0.00 0.00 0.82 0.00 0.00 66.70 64.72 1psy h VAL 103 Cb 0.56 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1psy h VAL 103 CO 0.02 0.76 0.04 0.00 0.02 0.00 0.00 177.57 178.41 1psy h ALA 104 N 1.23 0.11 -0.13 1.67 0.00 -1.35 -0.49 119.26 120.29 1psy h ALA 104 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1psy h ALA 104 Cb 1.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1psy h ALA 104 CO 0.10 -0.32 -0.48 -0.56 0.00 0.00 0.00 179.25 178.00 1psy h GLN 105 N -0.01 0.34 0.53 0.00 3.07 -1.62 -3.08 115.11 114.34 1psy h GLN 105 Ca 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 58.65 58.55 1psy h GLN 105 Cb 0.15 0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.72 1psy h GLN 105 CO -0.00 0.75 -0.25 -0.09 0.09 0.00 0.00 178.83 179.32 1psy h ARG 106 N 0.28 -0.68 -0.94 0.06 9.65 -1.13 -2.31 114.38 119.31 1psy h ARG 106 Ca 0.02 0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.09 1psy h ARG 106 Cb 0.94 0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 29.60 1psy h ARG 106 CO 0.08 -0.44 0.60 0.00 2.80 0.00 0.00 179.97 183.01 1psy h ALA 107 N -0.27 1.77 -1.10 2.80 0.00 -1.12 0.13 119.26 121.47 1psy h ALA 107 Ca -0.07 0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.17 1psy h ALA 107 Cb 0.56 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1psy h ALA 107 CO 0.12 -0.04 0.74 0.78 0.00 0.00 0.00 179.25 180.84 1psy h GLY 108 N 0.75 0.85 0.54 0.00 0.00 -1.32 -0.24 103.07 103.65 1psy h GLY 108 Ca 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1psy h GLY 108 CO -0.25 -0.12 -0.32 0.83 0.00 0.00 0.00 176.54 176.68 1psy h GLU 109 N 0.25 -0.59 0.00 4.80 5.08 -0.51 0.96 114.58 124.57 1psy h GLU 109 Ca 0.60 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.91 1psy h GLU 109 Cb 1.82 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1psy h GLU 109 CO -0.22 -0.39 -0.43 0.82 -1.00 0.00 0.00 179.01 177.79 1psy h ILE 110 N -0.61 1.01 0.60 3.13 1.08 -1.36 -3.02 117.51 118.33 1psy h ILE 110 Ca 0.01 -1.67 -0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1psy h ILE 110 Cb 0.60 1.99 -0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1psy h ILE 110 CO -0.13 0.42 -0.35 0.58 -0.69 0.00 0.00 178.15 177.99 1psy h VAL 111 N 0.00 0.29 -0.28 1.67 2.07 -0.57 -0.54 116.25 118.90 1psy h VAL 111 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1psy h VAL 111 Cb 0.95 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1psy h VAL 111 CO 0.06 0.00 0.39 -1.28 0.02 0.00 0.00 177.57 176.75 1psy h SER 112 N -0.89 0.00 0.00 0.57 0.87 -0.72 0.12 113.55 113.50 1psy h SER 112 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1psy h SER 112 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1psy h SER 112 CO 0.09 0.00 0.00 -0.24 -0.53 0.00 0.00 176.83 176.15 1psy n SER 113 N -3.51 0.00 -1.81 6.23 2.88 -0.50 -4.85 113.62 112.05 1psy n SER 113 Ca 0.04 0.30 -0.02 0.00 -1.33 0.00 0.00 58.87 57.86 1psy n SER 113 Cb 0.52 -0.11 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.41 3.34 3.55 0.00 0.00 -0.06 -4.30 105.19 107.31 1psy n GLY 115 Ca -0.14 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1psy n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1psy s VAL 116 N -1.86 3.34 0.00 1.61 1.01 -0.64 -4.40 120.40 119.47 1psy s VAL 116 Ca 0.28 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1psy s VAL 116 Cb 0.27 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1psy s VAL 116 CO -0.04 -0.85 0.00 0.54 0.00 0.00 0.00 175.10 174.74 1psy n ARG 117 N 9.12 0.00 -0.03 2.72 3.00 -1.26 -4.71 116.66 125.50 1psy n ARG 117 Ca 0.25 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.21 1psy n ARG 117 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 32.46 33.13 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 1.24 2.24 0.00 0.00 0.00 -1.26 -4.72 117.12 114.61 1psy n MET 119 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 57.70 56.04 1psy n MET 119 Cb 0.57 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.32 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 1.16 0.00 -0.28 2.12 3.00 -1.26 -4.84 116.66 116.57 1psy n ARG 120 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1psy n ARG 120 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 33.01 1psy n ARG 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1psy n GLN 121 N -2.37 1.66 -3.73 -0.14 1.13 -0.51 -4.96 117.38 108.47 1psy n GLN 121 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 1psy n GLN 121 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1psy n GLN 121 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1psy n THR 122 N -0.54 0.00 -1.63 5.09 -2.24 -1.10 -4.18 114.28 109.67 1psy n THR 122 Ca 0.00 -1.82 -0.46 0.00 -2.27 0.00 0.00 64.05 59.51 1psy n THR 122 Cb 0.00 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1psy n THR 122 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1psy n ARG 123 N -0.50 1.67 0.00 -0.78 1.85 -1.26 -4.88 116.66 112.76 1psy n ARG 123 Ca 0.05 0.59 0.00 0.00 -1.00 0.00 0.00 57.85 57.49 1psy n ARG 123 Cb 0.49 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 1psy n ARG 123 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1psy n THR 124 N 1.26 0.00 -0.44 8.89 -2.24 -1.26 -5.16 114.28 115.33 1psy n THR 124 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1psy n THR 124 Cb 0.30 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1psy n THR 124 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30