#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 0.54 -2.84 0.00 2.13 -1.26 -5.08 120.64 114.13 1psy n GLU 2 Ca 0.00 -1.81 -0.00 0.00 0.66 0.00 0.00 57.16 56.01 1psy n GLU 2 Cb 0.00 -1.29 0.01 0.00 0.27 0.00 0.00 31.44 30.43 1psy n GLU 2 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1psy s PHE 3 N 0.82 -0.79 -1.30 4.31 5.36 -1.26 -5.08 117.98 120.04 1psy s PHE 3 Ca 0.30 0.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.10 1psy s PHE 3 Cb 0.07 0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.98 1psy s PHE 3 CO -0.10 -0.56 1.75 -1.33 -1.46 0.00 0.00 175.22 173.52 1psy n MET 4 N 3.54 3.20 -2.75 10.12 2.81 -1.26 -4.97 117.12 127.82 1psy n MET 4 Ca 0.09 -3.29 -0.22 0.00 -1.81 0.00 0.00 57.70 52.47 1psy n MET 4 Cb 0.61 -3.41 0.08 0.00 -0.71 0.00 0.00 33.22 29.80 1psy n MET 4 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1psy s GLU 5 N 3.71 1.97 0.00 0.03 2.12 -1.26 -5.12 118.70 120.16 1psy s GLU 5 Ca 0.52 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1psy s GLU 5 Cb 0.04 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1psy s GLU 5 CO 0.05 -1.17 0.00 -1.13 -0.54 0.00 0.00 175.26 172.47 1psy n SER 6 N -2.58 0.00 -2.69 -1.70 3.41 -1.26 -5.07 113.62 103.74 1psy n SER 6 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1psy n SER 6 Cb 0.61 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 1psy n SER 6 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1psy n LYS 7 N -0.37 1.22 -2.68 4.33 2.85 -1.26 -4.92 118.16 117.33 1psy n LYS 7 Ca 0.00 -3.20 -0.05 0.00 -1.05 0.00 0.00 58.31 54.01 1psy n LYS 7 Cb 0.00 -1.21 0.10 0.00 -0.65 0.00 0.00 35.03 33.27 1psy n LYS 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1psy n GLY 8 N -0.17 -0.76 3.74 2.58 0.00 -1.26 -5.15 105.19 104.17 1psy n GLY 8 Ca 0.08 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.34 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 0.12 2.00 0.89 1.61 2.12 -1.26 -4.97 118.70 119.20 1psy s GLU 9 Ca 0.20 1.35 -0.16 0.00 0.36 0.00 0.00 54.97 56.72 1psy s GLU 9 Cb 0.29 -1.85 -0.10 0.00 0.26 0.00 0.00 34.13 32.73 1psy s GLU 9 CO -0.15 -1.87 -0.31 2.89 -0.54 0.00 0.00 175.26 175.29 1psy n ARG 10 N -3.48 -0.02 -2.76 4.30 1.85 -1.26 -4.85 116.66 110.43 1psy n ARG 10 Ca 0.10 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.53 1psy n ARG 10 Cb 0.52 -1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.63 1psy n ARG 10 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1psy s GLU 11 N -2.27 3.56 0.00 2.89 2.12 -1.26 -4.60 118.70 119.14 1psy s GLU 11 Ca 0.49 0.23 0.00 0.00 0.36 0.00 0.00 54.97 56.05 1psy s GLU 11 Cb -0.25 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1psy s GLU 11 CO 0.75 -1.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1psy n GLY 12 N 4.93 -1.18 0.40 -1.50 0.00 -1.26 -5.08 105.19 101.50 1psy n GLY 12 Ca 0.07 0.36 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 1psy n GLY 12 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1psy h SER 13 N 0.00 -0.92 0.00 1.61 0.87 -1.95 -3.45 113.55 109.72 1psy h SER 13 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1psy h SER 13 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1psy h SER 13 CO 0.00 -0.60 0.00 -1.54 -0.53 0.00 0.00 176.83 174.16 1psy n SER 14 N -4.76 0.00 -3.22 6.23 3.41 -1.26 -5.01 113.62 109.01 1psy n SER 14 Ca -0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.33 1psy n SER 14 Cb 0.39 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.99 -0.31 4.04 2.88 -1.26 -4.83 113.62 111.15 1psy n SER 15 Ca 0.00 -0.45 -0.02 0.00 -1.33 0.00 0.00 58.87 57.07 1psy n SER 15 Cb 0.00 -0.58 0.03 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.06 0.00 -1.46 4.15 -1.95 -3.35 115.11 112.45 1psy h GLN 16 Ca -0.20 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.10 1psy h GLN 16 Cb 0.68 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.28 1psy h GLN 16 CO 0.12 -0.04 -0.20 0.94 -1.93 0.00 0.00 178.83 177.73 1psy n GLN 17 N -5.46 0.85 -0.05 1.69 7.27 -1.26 -4.93 117.38 115.48 1psy n GLN 17 Ca 0.08 -0.85 -0.11 0.00 0.07 0.00 0.00 57.00 56.19 1psy n GLN 17 Cb 0.39 0.34 -0.05 0.00 2.41 0.00 0.00 30.24 33.32 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 -4.76 -0.02 0.00 0.00 0.63 -1.26 0.61 116.66 111.86 1psy n ARG 19 Ca -0.05 1.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1psy n ARG 19 Cb 0.20 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 30.80 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 -4.27 0.00 0.30 -0.14 7.27 -1.09 -2.58 117.38 116.87 1psy n GLN 20 Ca 0.39 0.38 0.18 0.00 0.07 0.00 0.00 57.00 58.02 1psy n GLN 20 Cb 1.62 -1.12 0.94 0.00 2.41 0.00 0.00 30.24 34.08 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 -0.16 3.69 4.39 -0.94 -1.16 114.58 120.40 1psy h GLU 21 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1psy h GLU 21 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1psy h GLU 21 CO 0.00 0.00 -0.15 0.28 -1.16 0.00 0.00 179.01 177.98 1psy h VAL 22 N 0.00 1.34 0.00 3.13 2.07 0.09 -2.76 116.25 120.13 1psy h VAL 22 Ca 0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1psy h VAL 22 Cb 0.26 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1psy h VAL 22 CO 0.00 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1psy n GLN 23 N -4.54 0.88 0.02 1.57 10.64 -0.44 -3.13 117.38 122.39 1psy n GLN 23 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1psy n GLN 23 Cb 0.37 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 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 0.89 0.00 0.00 2.61 1.74 -1.15 -5.03 116.66 115.72 1psy n ARG 24 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1psy n ARG 24 Cb 0.44 -0.04 -0.00 0.00 -1.02 0.00 0.00 32.46 31.84 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 -2.69 0.05 -1.29 5.56 2.85 -1.05 -4.88 118.16 116.71 1psy n LYS 25 Ca 0.00 0.02 -0.38 0.00 -1.05 0.00 0.00 58.31 56.90 1psy n LYS 25 Cb 0.03 -0.37 0.04 0.00 -0.65 0.00 0.00 35.03 34.08 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 -2.97 -2.53 0.00 -5.58 9.92 -1.18 -3.76 116.55 110.45 1psy n ASP 26 Ca -0.01 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1psy n ASP 26 Cb 0.05 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 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 1.34 0.00 -1.85 0.64 7.99 -1.26 -4.62 117.00 119.24 1psy n LEU 27 Ca 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.11 1psy n LEU 27 Cb 0.49 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.82 1psy n LEU 27 CO 0.52 0.00 0.05 -0.24 -1.51 0.00 0.00 177.39 176.21 1psy n SER 28 N 0.00 1.13 0.00 -1.43 2.88 -1.25 -4.84 113.62 110.11 1psy n SER 28 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1psy n SER 28 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 0.21 0.00 -0.03 -3.46 2.88 -1.26 -4.84 113.62 107.11 1psy n SER 29 Ca 0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1psy n SER 29 Cb 1.06 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.50 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 -0.21 0.15 -0.58 0.00 3.07 -1.91 -3.01 114.58 112.08 1psy h GLU 31 Ca 0.12 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1psy h GLU 31 Cb 0.40 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1psy h GLU 31 CO -0.33 0.71 0.27 -0.09 -1.40 0.00 0.00 179.01 178.17 1psy h ARG 32 N 0.11 0.83 -0.62 2.33 9.65 -1.48 -2.04 114.38 123.16 1psy h ARG 32 Ca -0.01 -0.11 0.09 0.00 -1.10 0.00 0.00 59.98 58.85 1psy h ARG 32 Cb 1.10 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.46 1psy h ARG 32 CO 0.09 0.65 0.26 -0.92 2.80 0.00 0.00 179.97 182.86 1psy h TYR 33 N 0.82 0.46 0.00 2.20 3.20 0.24 0.24 116.97 124.14 1psy h TYR 33 Ca 0.20 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1psy h TYR 33 Cb 0.11 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1psy h TYR 33 CO 0.01 0.15 -0.46 1.37 -1.64 0.00 0.00 178.16 177.59 1psy h LEU 34 N 0.47 0.00 -0.42 2.82 8.10 -1.56 -3.07 115.31 121.64 1psy h LEU 34 Ca 0.31 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.19 1psy h LEU 34 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1psy h LEU 34 CO -0.28 0.46 -0.14 -0.09 -4.11 0.00 0.00 178.44 174.28 1psy h ARG 35 N 0.00 0.83 0.00 0.17 2.43 -0.21 -3.45 114.38 114.15 1psy h ARG 35 Ca -0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1psy h ARG 35 Cb 1.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1psy h ARG 35 CO 0.06 0.97 0.00 1.04 -1.51 0.00 0.00 179.97 180.53 1psy n GLN 36 N -4.27 0.37 -1.82 0.20 1.13 0.63 -5.06 117.38 108.56 1psy n GLN 36 Ca -0.01 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.01 1psy n GLN 36 Cb 0.39 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.78 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1psy n SER 37 N -1.86 -1.15 -1.64 1.08 2.88 -1.26 -4.97 113.62 106.70 1psy n SER 37 Ca 0.00 -1.99 -0.05 0.00 -1.33 0.00 0.00 58.87 55.50 1psy n SER 37 Cb 0.00 0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.76 -0.42 -2.74 -3.46 3.41 -1.26 -5.18 113.62 103.20 1psy n SER 38 Ca -0.21 -1.61 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 1psy n SER 38 Cb 0.76 0.79 0.06 0.00 -0.26 0.00 0.00 64.21 65.57 1psy n SER 38 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1psy n SER 39 N -2.01 0.16 -4.56 4.04 3.41 -1.26 -5.02 113.62 108.38 1psy n SER 39 Ca 0.00 -1.24 -0.43 0.00 -0.26 0.00 0.00 58.87 56.94 1psy n SER 39 Cb 0.19 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1psy n SER 39 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1psy s ARG 40 N -3.84 3.51 1.27 4.33 3.52 -1.26 -5.04 118.95 121.44 1psy s ARG 40 Ca 0.26 0.12 -0.19 0.00 -0.13 0.00 0.00 55.73 55.79 1psy s ARG 40 Cb -0.01 -3.94 0.29 0.00 -1.56 0.00 0.00 34.95 29.73 1psy s ARG 40 CO 0.18 -1.23 0.66 -2.13 -0.81 0.00 0.00 175.30 171.97 1psy n ARG 41 N 7.15 -3.48 -1.14 5.12 0.63 -1.26 -4.80 116.66 118.88 1psy n ARG 41 Ca 0.06 -1.02 -0.30 0.00 -0.92 0.00 0.00 57.85 55.66 1psy n ARG 41 Cb 0.48 -1.82 -0.06 0.00 0.45 0.00 0.00 32.46 31.52 1psy n ARG 41 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1psy n SER 42 N -4.05 7.30 -4.39 6.15 7.64 -1.26 -4.85 113.62 120.16 1psy n SER 42 Ca 0.08 -2.49 -0.44 0.00 1.01 0.00 0.00 58.87 57.02 1psy n SER 42 Cb 0.53 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.25 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1psy s THR 43 N 2.10 4.75 0.00 0.44 -4.23 -1.26 -4.76 115.64 112.69 1psy s THR 43 Ca 0.64 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1psy s THR 43 Cb 0.20 -4.53 0.00 0.00 1.34 0.00 0.00 72.50 69.50 1psy s THR 43 CO -0.04 -1.20 0.00 0.61 -0.54 0.00 0.00 174.62 173.45 1psy n GLY 44 N 5.27 -0.59 0.24 3.99 0.00 -1.26 -4.75 105.19 108.09 1psy n GLY 44 Ca -0.07 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -2.30 1.61 4.81 -2.01 -3.25 114.58 113.45 1psy h GLU 45 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 1psy h GLU 45 Cb 0.00 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.01 1psy h GLU 45 CO 0.00 0.20 -0.13 -1.91 -0.73 0.00 0.00 179.01 176.44 1psy n GLU 46 N -3.53 3.81 -0.38 1.92 2.13 -1.26 -4.80 120.64 118.54 1psy n GLU 46 Ca -0.01 -4.78 0.00 0.00 0.66 0.00 0.00 57.16 53.03 1psy n GLU 46 Cb 0.35 -2.31 0.14 0.00 0.27 0.00 0.00 31.44 29.89 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 -0.01 1.25 -2.56 6.31 3.14 -1.23 -4.20 118.33 121.02 1psy n VAL 47 Ca 0.35 -0.59 -0.27 0.00 -2.96 0.00 0.00 64.34 60.87 1psy n VAL 47 Cb 0.36 -0.49 -0.01 0.00 -1.06 0.00 0.00 33.84 32.64 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 0.17 4.61 -1.16 6.55 -0.00 -1.26 -4.83 117.00 121.07 1psy n LEU 48 Ca 0.13 -5.27 -0.04 0.00 -0.00 0.00 0.00 56.01 50.84 1psy n LEU 48 Cb 0.69 -0.46 0.04 0.00 -0.00 0.00 0.00 43.42 43.70 1psy n LEU 48 CO 0.15 2.25 0.61 0.54 -0.00 0.00 0.00 177.39 180.94 1psy n ARG 49 N -0.43 1.34 -4.38 1.47 3.00 -1.26 -4.86 116.66 111.55 1psy n ARG 49 Ca 0.37 -0.60 -0.19 0.00 -0.01 0.00 0.00 57.85 57.41 1psy n ARG 49 Cb 0.62 -1.31 -0.10 0.00 0.00 0.00 0.00 32.46 31.67 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 -0.78 1.41 0.00 5.56 -1.94 -1.26 -5.02 119.30 117.27 1psy s MET 50 Ca 0.11 -1.66 0.18 0.00 -1.71 0.00 0.00 55.69 52.61 1psy s MET 50 Cb 0.09 -1.16 0.81 0.00 2.01 0.00 0.00 34.83 36.58 1psy s MET 50 CO 0.02 0.14 1.57 -0.35 -0.01 0.00 0.00 175.02 176.40 1psy n PRO 51 N -0.45 0.07 -3.09 2.03 -0.04 -1.26 -4.96 135.00 127.29 1psy n PRO 51 Ca -0.07 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1psy n PRO 51 Cb 0.61 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.33 -1.24 0.00 0.55 0.00 -1.26 -4.86 105.19 98.70 1psy n GLY 52 Ca 0.05 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.34 0.00 -3.65 1.61 8.00 -1.26 -5.02 116.55 116.57 1psy n ASP 53 Ca 0.01 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.13 1psy n ASP 53 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 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 4.42 -2.37 -1.24 -0.58 -1.26 -4.49 120.64 115.12 1psy n GLU 54 Ca 0.00 -4.66 -0.03 0.00 -0.42 0.00 0.00 57.16 52.05 1psy n GLU 54 Cb 0.00 -2.43 0.03 0.00 -0.57 0.00 0.00 31.44 28.47 1psy n GLU 54 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1psy n ASN 55 N 0.54 -1.00 -4.01 1.62 0.23 -1.26 -4.97 115.26 106.40 1psy n ASN 55 Ca 0.35 -1.68 -0.17 0.00 -0.53 0.00 0.00 54.58 52.55 1psy n ASN 55 Cb 0.32 0.70 0.02 0.00 -2.08 0.00 0.00 39.78 38.74 1psy n ASN 55 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1psy n GLN 56 N -0.54 0.85 0.00 -3.83 10.64 -1.26 -4.63 117.38 118.60 1psy n GLN 56 Ca -0.16 -2.33 0.00 0.00 -1.83 0.00 0.00 57.00 52.68 1psy n GLN 56 Cb 0.67 0.11 0.00 0.00 -0.86 0.00 0.00 30.24 30.16 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1psy n GLN 57 N -1.58 0.00 0.00 2.61 0.00 -1.26 -4.90 117.38 112.26 1psy n GLN 57 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1psy n GLN 57 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.67 1psy n GLN 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1psy n GLN 58 N -2.40 0.00 -3.39 3.69 0.00 -1.26 -5.05 117.38 108.97 1psy n GLN 58 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.74 1psy n GLN 58 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 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 -1.05 0.61 -3.00 3.69 1.02 -1.26 -5.00 120.64 115.65 1psy n GLU 59 Ca 0.00 -3.39 0.04 0.00 -0.02 0.00 0.00 57.16 53.79 1psy n GLU 59 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1psy n GLU 59 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1psy s SER 60 N -0.57 -0.30 0.37 1.62 0.15 -1.26 -5.02 113.70 108.69 1psy s SER 60 Ca 0.33 -0.03 0.16 0.00 0.70 0.00 0.00 55.95 57.11 1psy s SER 60 Cb 0.07 0.89 0.72 0.00 -1.71 0.00 0.00 66.02 65.99 1psy s SER 60 CO -0.16 -0.05 1.78 0.06 1.20 0.00 0.00 173.24 176.07 1psy h GLN 61 N 6.52 0.00 -0.01 5.44 3.07 -2.01 -3.15 115.11 124.98 1psy h GLN 61 Ca -0.08 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.43 1psy h GLN 61 Cb 1.20 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.78 1psy h GLN 61 CO -0.10 0.39 -0.92 1.96 0.09 0.00 0.00 178.83 180.25 1psy h GLN 62 N 0.00 0.64 -1.01 0.06 1.08 -1.96 -3.07 115.11 110.85 1psy h GLN 62 Ca -0.00 -0.67 0.29 0.00 -1.45 0.00 0.00 58.65 56.81 1psy h GLN 62 Cb 0.79 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.36 1psy h GLN 62 CO 0.05 1.27 0.80 -0.07 -0.95 0.00 0.00 178.83 179.93 1psy h LEU 63 N 0.28 0.00 -0.62 1.46 4.07 -1.95 0.41 115.31 118.96 1psy h LEU 63 Ca -0.11 0.00 0.12 0.00 0.08 0.00 0.00 57.88 57.97 1psy h LEU 63 Cb 1.58 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.23 1psy h LEU 63 CO 0.18 0.00 0.09 -0.61 -1.08 0.00 0.00 178.44 177.02 1psy h GLN 64 N 0.00 0.21 -0.98 1.13 4.15 -1.60 0.39 115.11 118.40 1psy h GLN 64 Ca 0.48 -0.01 0.15 0.00 0.77 0.00 0.00 58.65 60.04 1psy h GLN 64 Cb 2.07 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 29.62 1psy h GLN 64 CO -0.01 0.14 0.60 1.96 -1.93 0.00 0.00 178.83 179.59 1psy h GLN 65 N 0.21 0.83 0.14 1.69 4.20 -0.34 0.52 115.11 122.35 1psy h GLN 65 Ca 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1psy h GLN 65 Cb 0.51 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1psy h GLN 65 CO -0.45 0.55 -0.07 0.00 -0.67 0.00 0.00 178.83 178.19 1psy h ASN 68 N 1.02 0.01 0.02 0.00 -0.26 0.12 -1.93 115.58 114.56 1psy h ASN 68 Ca 0.43 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 56.00 1psy h ASN 68 Cb 0.32 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1psy h ASN 68 CO -0.19 0.67 -0.65 1.56 -1.06 0.00 0.00 177.43 177.76 1psy h GLN 69 N 0.01 0.40 0.00 0.81 1.08 0.22 -3.06 115.11 114.57 1psy h GLN 69 Ca -0.01 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1psy h GLN 69 Cb 1.17 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1psy h GLN 69 CO 0.09 1.13 -0.05 0.28 -0.95 0.00 0.00 178.83 179.32 1psy h VAL 70 N -0.13 0.16 0.00 -0.54 2.07 -0.10 -0.05 116.25 117.65 1psy h VAL 70 Ca -0.09 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1psy h VAL 70 Cb 1.38 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1psy h VAL 70 CO 0.13 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.06 1psy n LYS 71 N -3.19 0.20 -0.27 1.57 4.76 -0.73 -2.33 118.16 118.16 1psy n LYS 71 Ca 0.00 0.29 0.10 0.00 -2.87 0.00 0.00 58.31 55.83 1psy n LYS 71 Cb 0.31 -1.79 0.27 0.00 -1.84 0.00 0.00 35.03 31.98 1psy n LYS 71 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1psy n GLN 72 N -2.14 2.38 -0.78 1.97 6.02 -0.04 -4.97 117.38 119.81 1psy n GLN 72 Ca 0.04 -2.13 -0.30 0.00 -0.01 0.00 0.00 57.00 54.59 1psy n GLN 72 Cb 0.32 -1.48 0.27 0.00 1.02 0.00 0.00 30.24 30.37 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1psy s VAL 73 N -1.28 1.39 0.00 5.09 0.11 -0.98 -3.82 120.40 120.90 1psy s VAL 73 Ca 0.40 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1psy s VAL 73 Cb 0.21 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1psy s VAL 73 CO 0.28 0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.59 1psy n ARG 74 N -5.18 0.00 0.00 1.54 1.74 -1.26 -4.92 116.66 108.58 1psy n ARG 74 Ca 0.14 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1psy n ARG 74 Cb 0.60 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 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 -1.76 0.00 0.00 0.55 8.00 -1.26 -4.93 116.55 117.15 1psy n ASP 75 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1psy n ASP 75 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.00 2.29 -0.18 -1.24 0.28 -1.26 -2.95 120.64 117.58 1psy n GLU 76 Ca 0.00 -0.19 0.07 0.00 -0.16 0.00 0.00 57.16 56.88 1psy n GLU 76 Cb 0.00 -0.63 0.19 0.00 1.43 0.00 0.00 31.44 32.43 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 2.26 -0.95 0.01 0.00 4.20 -1.96 -0.06 115.11 118.62 1psy h GLN 78 Ca 0.00 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1psy h GLN 78 Cb 0.51 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1psy h GLN 78 CO 0.00 -0.61 -0.00 0.00 -0.67 0.00 0.00 178.83 177.55 1psy h GLU 80 N -0.59 0.00 0.01 0.00 4.57 -1.75 0.25 114.58 117.07 1psy h GLU 80 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1psy h GLU 80 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1psy h GLU 80 CO 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 179.01 177.64 1psy h ALA 81 N 1.36 0.01 -0.45 2.92 0.00 -0.83 -3.04 119.26 119.22 1psy h ALA 81 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1psy h ALA 81 Cb 0.64 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1psy h ALA 81 CO 0.00 0.05 0.09 0.82 0.00 0.00 0.00 179.25 180.22 1psy h ILE 82 N -0.66 0.76 0.00 0.00 1.08 -0.23 0.20 117.51 118.65 1psy h ILE 82 Ca -0.03 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1psy h ILE 82 Cb 1.02 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1psy h ILE 82 CO 0.04 0.04 0.00 0.29 -0.69 0.00 0.00 178.15 177.83 1psy n LYS 83 N -5.10 0.16 -0.44 2.37 4.01 -0.51 0.30 118.16 118.96 1psy n LYS 83 Ca 0.04 0.17 0.08 0.00 -0.51 0.00 0.00 58.31 58.10 1psy n LYS 83 Cb 0.21 -1.50 0.26 0.00 -0.51 0.00 0.00 35.03 33.49 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 -1.32 0.95 0.00 2.13 9.36 0.63 -4.23 117.16 124.68 1psy n TYR 84 Ca 0.06 -0.81 0.00 0.00 3.32 0.00 0.00 57.90 60.47 1psy n TYR 84 Cb 0.12 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.54 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 -0.29 0.00 0.21 2.97 3.06 -0.79 -4.71 119.36 119.82 1psy n ILE 85 Ca 0.20 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.37 1psy n ILE 85 Cb 0.85 -0.09 -0.04 0.00 0.54 0.00 0.00 39.64 40.90 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 -1.07 -0.02 1.51 0.00 -0.38 0.08 119.26 119.38 1psy h ALA 86 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1psy h ALA 86 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1psy h ALA 86 CO 0.00 -1.03 -0.70 1.49 0.00 0.00 0.00 179.25 179.02 1psy h GLU 87 N -0.57 0.10 -0.82 0.00 4.81 -1.77 -2.63 114.58 113.71 1psy h GLU 87 Ca -0.05 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1psy h GLU 87 Cb 0.41 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1psy h GLU 87 CO 0.09 0.76 0.52 -0.44 -0.73 0.00 0.00 179.01 179.21 1psy h ASP 88 N 0.07 0.85 1.14 1.04 5.19 -1.73 0.12 116.42 123.10 1psy h ASP 88 Ca -0.01 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1psy h ASP 88 Cb 1.24 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1psy h ASP 88 CO 0.10 0.57 -0.29 0.06 -3.12 0.00 0.00 179.24 176.56 1psy h GLN 89 N 0.99 0.00 -0.31 3.56 3.07 -0.86 -0.78 115.11 120.79 1psy h GLN 89 Ca 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.01 1psy h GLN 89 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 1psy h GLN 89 CO -0.13 0.29 -0.08 0.82 0.09 0.00 0.00 178.83 179.82 1psy h ILE 90 N 0.00 1.28 0.00 1.86 2.04 -0.45 0.60 117.51 122.84 1psy h ILE 90 Ca -0.00 -1.13 -0.23 0.00 1.00 0.00 0.00 64.86 64.50 1psy h ILE 90 Cb 0.95 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1psy h ILE 90 CO 0.04 0.36 -0.95 1.56 0.00 0.00 0.00 178.15 179.16 1psy h GLN 91 N 0.37 0.41 0.12 2.37 4.20 -1.09 -3.22 115.11 118.27 1psy h GLN 91 Ca 0.08 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1psy h GLN 91 Cb 0.57 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1psy h GLN 91 CO 0.03 1.11 -0.06 0.37 -0.67 0.00 0.00 178.83 179.61 1psy h GLN 92 N 0.23 -0.16 -7.04 1.46 5.75 -1.10 -3.47 115.11 110.78 1psy h GLN 92 Ca -0.08 0.01 -0.38 0.00 -0.15 0.00 0.00 58.65 58.05 1psy h GLN 92 Cb 1.59 0.04 0.22 0.00 1.07 0.00 0.00 27.48 30.39 1psy h GLN 92 CO 0.16 0.24 -0.12 0.20 -2.65 0.00 0.00 178.83 176.67 1psy s GLY 93 N -3.46 1.41 -0.13 2.39 0.00 0.21 -4.88 107.32 102.85 1psy s GLY 93 Ca -0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1psy s GLY 93 CO 0.38 0.15 1.88 -1.06 0.00 0.00 0.00 173.10 174.45 1psy n GLN 94 N -5.69 1.34 -0.32 2.90 6.02 -1.26 -4.17 117.38 116.20 1psy n GLN 94 Ca 0.14 -0.67 0.06 0.00 -0.01 0.00 0.00 57.00 56.51 1psy n GLN 94 Cb 0.61 -1.26 0.20 0.00 1.02 0.00 0.00 30.24 30.81 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 0.87 2.76 -4.64 1.08 7.99 -1.21 -4.89 117.00 118.96 1psy n LEU 95 Ca 0.13 -1.39 -0.30 0.00 -0.01 0.00 0.00 56.01 54.44 1psy n LEU 95 Cb 0.57 -0.39 0.23 0.00 -0.11 0.00 0.00 43.42 43.72 1psy n LEU 95 CO 0.16 0.54 0.65 -1.00 -1.51 0.00 0.00 177.39 176.23 1psy s HIS 96 N -1.62 0.65 0.00 -1.77 3.76 -1.25 -1.93 115.29 113.13 1psy s HIS 96 Ca 0.30 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1psy s HIS 96 Cb 0.18 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.34 1psy s HIS 96 CO 0.16 -3.71 0.00 0.41 -0.85 0.00 0.00 174.74 170.75 1psy n GLY 97 N -1.30 2.38 1.14 -2.22 0.00 -1.26 -3.30 105.19 100.62 1psy n GLY 97 Ca 0.13 -0.06 -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 0.20 -0.56 1.61 2.13 -1.26 -4.97 120.64 117.79 1psy n GLU 98 Ca 0.00 -0.62 0.06 0.00 0.66 0.00 0.00 57.16 57.26 1psy n GLU 98 Cb 0.00 0.44 0.20 0.00 0.27 0.00 0.00 31.44 32.35 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 -0.23 1.52 -0.04 5.31 0.28 -1.20 -4.66 120.64 121.62 1psy n GLU 99 Ca -0.15 -3.20 -0.21 0.00 -0.16 0.00 0.00 57.16 53.44 1psy n GLU 99 Cb 0.57 -1.57 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 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 0.89 0.20 0.37 -1.84 0.87 -1.66 -3.30 113.55 109.08 1psy h SER 100 Ca -0.00 -0.74 -0.06 0.00 -1.23 0.00 0.00 61.79 59.76 1psy h SER 100 Cb 1.02 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1psy h SER 100 CO 0.00 1.57 -0.29 -0.08 -0.53 0.00 0.00 176.83 177.50 1psy h GLU 101 N -0.57 0.00 0.00 2.24 4.57 -1.88 -0.15 114.58 118.79 1psy h GLU 101 Ca -0.32 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.80 1psy h GLU 101 Cb 1.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1psy h GLU 101 CO -0.05 0.29 -0.25 0.07 -1.18 0.00 0.00 179.01 177.88 1psy h ARG 102 N 0.00 0.00 0.00 1.92 -0.00 -1.85 -1.94 114.38 112.51 1psy h ARG 102 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.91 1psy h ARG 102 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.51 1psy h ARG 102 CO 0.04 0.25 -0.30 0.28 -0.00 0.00 0.00 179.97 180.24 1psy h VAL 103 N 0.00 0.52 -0.24 0.08 2.07 -1.11 -3.22 116.25 114.36 1psy h VAL 103 Ca -0.00 -1.73 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 1psy h VAL 103 Cb 0.55 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1psy h VAL 103 CO 0.03 0.30 -0.29 0.00 0.02 0.00 0.00 177.57 177.62 1psy h ALA 104 N 1.70 1.05 0.00 1.67 0.00 -1.06 -1.89 119.26 120.73 1psy h ALA 104 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1psy h ALA 104 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1psy h ALA 104 CO 0.04 0.58 -0.23 -0.56 0.00 0.00 0.00 179.25 179.08 1psy h GLN 105 N 0.41 0.00 0.23 0.00 3.07 -1.53 -1.59 115.11 115.71 1psy h GLN 105 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 1psy h GLN 105 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 1psy h GLN 105 CO 0.06 0.23 -0.11 0.00 0.09 0.00 0.00 178.83 179.10 1psy h ARG 106 N 0.00 -0.30 -0.82 0.06 3.08 -1.43 -3.17 114.38 111.80 1psy h ARG 106 Ca -0.00 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1psy h ARG 106 Cb 0.66 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1psy h ARG 106 CO 0.03 -0.20 0.54 0.00 -1.07 0.00 0.00 179.97 179.27 1psy h ALA 107 N -1.08 1.62 -1.03 0.04 0.00 -1.44 -0.43 119.26 116.94 1psy h ALA 107 Ca -0.03 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1psy h ALA 107 Cb 0.25 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1psy h ALA 107 CO 0.05 0.25 0.72 0.78 0.00 0.00 0.00 179.25 181.06 1psy h GLY 108 N 0.89 0.36 0.79 0.00 0.00 -1.36 0.17 103.07 103.92 1psy h GLY 108 Ca 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1psy h GLY 108 CO -0.13 -0.03 -0.34 0.83 0.00 0.00 0.00 176.54 176.86 1psy h GLU 109 N 0.13 -0.78 0.00 4.80 5.08 -1.03 0.19 114.58 122.96 1psy h GLU 109 Ca 0.52 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1psy h GLU 109 Cb 1.82 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1psy h GLU 109 CO -0.09 -0.52 -0.42 0.82 -1.00 0.00 0.00 179.01 177.79 1psy h ILE 110 N -0.81 0.94 0.52 3.13 1.08 -1.17 -2.24 117.51 118.96 1psy h ILE 110 Ca -0.05 -1.70 -0.02 0.00 -0.39 0.00 0.00 64.86 62.69 1psy h ILE 110 Cb 0.68 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 1psy h ILE 110 CO 0.03 0.42 -0.28 0.58 -0.69 0.00 0.00 178.15 178.21 1psy h VAL 111 N 0.00 0.00 -0.50 1.67 2.07 -0.40 0.18 116.25 119.27 1psy h VAL 111 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1psy h VAL 111 Cb 0.99 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1psy h VAL 111 CO 0.06 0.00 0.36 0.77 0.02 0.00 0.00 177.57 178.77 1psy h SER 112 N -0.73 0.03 0.29 0.57 4.64 -0.88 0.59 113.55 118.05 1psy h SER 112 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1psy h SER 112 Cb 0.57 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1psy h SER 112 CO 0.10 0.01 -0.14 0.28 -0.87 0.00 0.00 176.83 176.21 1psy h SER 113 N 0.03 -0.33 -0.06 4.97 0.02 -0.93 -3.44 113.55 113.81 1psy h SER 113 Ca 0.24 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.01 1psy h SER 113 Cb 0.91 0.09 -0.18 0.00 0.14 0.00 0.00 62.40 63.36 1psy h SER 113 CO -0.01 -0.20 -0.38 0.00 -1.14 0.00 0.00 176.83 175.10 1psy n GLY 115 N -1.22 1.07 2.99 0.00 0.00 0.18 -3.95 105.19 104.26 1psy n GLY 115 Ca -0.12 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1psy n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1psy n VAL 116 N 0.01 2.33 0.00 1.61 0.31 0.42 -4.26 118.33 118.75 1psy n VAL 116 Ca -0.06 -2.04 0.00 0.00 -0.01 0.00 0.00 64.34 62.23 1psy n VAL 116 Cb 0.94 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1psy n VAL 116 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1psy n ARG 117 N 6.73 0.00 0.00 5.55 5.12 -1.26 -4.20 116.66 128.60 1psy n ARG 117 Ca 0.50 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1psy n ARG 117 Cb 0.40 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.24 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 -0.07 2.29 0.00 0.00 2.81 -1.26 -4.64 117.12 116.24 1psy n MET 119 Ca 0.00 -1.96 0.00 0.00 -1.81 0.00 0.00 57.70 53.93 1psy n MET 119 Cb 0.07 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.14 0.00 0.00 0.03 3.00 -1.26 -4.83 116.66 114.74 1psy n ARG 120 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1psy n ARG 120 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.94 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 -2.02 1.18 0.00 -0.14 7.27 -1.26 -5.00 117.38 117.41 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 -1.30 1.69 -1.04 -0.79 -3.55 114.28 109.28 1psy n THR 122 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1psy n THR 122 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.11 0.00 -2.82 1.74 -1.26 -4.74 116.66 109.69 1psy n ARG 123 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1psy n ARG 123 Cb 0.00 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1psy n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1psy n THR 124 N -1.42 0.00 -0.51 0.55 -2.24 -1.25 -5.12 114.28 104.30 1psy n THR 124 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1psy n THR 124 Cb 0.45 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1psy n THR 124 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30