#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 0.29 -2.72 0.00 4.07 -1.26 -5.12 120.64 115.90 1psy n GLU 2 Ca 0.00 -0.62 -0.09 0.00 -0.06 0.00 0.00 57.16 56.39 1psy n GLU 2 Cb 0.00 0.75 0.10 0.00 -0.06 0.00 0.00 31.44 32.23 1psy n GLU 2 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1psy n PHE 3 N -0.15 -2.77 -3.65 4.31 7.35 -1.26 -5.13 117.46 116.17 1psy n PHE 3 Ca -0.02 -2.08 -0.01 0.00 -0.76 0.00 0.00 57.45 54.58 1psy n PHE 3 Cb 0.16 1.63 -0.07 0.00 0.35 0.00 0.00 39.48 41.55 1psy n PHE 3 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1psy s MET 4 N 0.24 0.07 0.00 -4.13 0.23 -1.26 -5.18 119.30 109.27 1psy s MET 4 Ca 0.22 0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.98 1psy s MET 4 Cb 0.32 0.03 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1psy s MET 4 CO -0.06 -0.01 0.00 0.39 -2.03 0.00 0.00 175.02 173.31 1psy n GLU 5 N 2.25 -1.38 0.00 3.16 1.02 -1.26 -5.15 120.64 119.28 1psy n GLU 5 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1psy n GLU 5 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1psy n GLU 5 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1psy n SER 6 N 0.00 0.00 -3.30 1.62 3.41 -1.26 -5.19 113.62 108.90 1psy n SER 6 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1psy n SER 6 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1psy n SER 6 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1psy s LYS 7 N 0.00 1.80 0.00 4.33 -2.85 -1.26 -5.15 119.74 116.61 1psy s LYS 7 Ca 0.00 -2.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.92 1psy s LYS 7 Cb 0.00 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1psy s LYS 7 CO 0.00 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.19 1psy n GLY 8 N -0.65 3.29 3.51 0.59 0.00 -1.26 -5.18 105.19 105.49 1psy n GLY 8 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 2.17 1.02 0.86 1.61 2.12 -1.26 -5.17 118.70 120.04 1psy s GLU 9 Ca 0.00 0.12 -0.10 0.00 0.36 0.00 0.00 54.97 55.35 1psy s GLU 9 Cb 0.00 0.48 0.11 0.00 0.26 0.00 0.00 34.13 34.98 1psy s GLU 9 CO 0.00 -0.34 1.11 0.50 -0.54 0.00 0.00 175.26 175.99 1psy s ARG 10 N -1.60 1.54 0.61 4.30 3.52 -1.26 -5.03 118.95 121.03 1psy s ARG 10 Ca -0.07 1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 56.70 1psy s ARG 10 Cb -0.00 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 1psy s ARG 10 CO 0.05 -2.19 1.03 -2.00 -0.81 0.00 0.00 175.30 171.38 1psy s GLU 11 N -4.78 3.42 -0.41 5.12 2.56 -1.26 -4.53 118.70 118.82 1psy s GLU 11 Ca 0.64 0.95 -0.21 0.00 0.00 0.00 0.00 54.97 56.35 1psy s GLU 11 Cb -0.20 -2.06 0.03 0.00 2.00 0.00 0.00 34.13 33.90 1psy s GLU 11 CO 0.57 -0.71 0.55 0.41 -0.56 0.00 0.00 175.26 175.51 1psy n GLY 12 N -1.90 -1.09 2.70 -1.50 0.00 -1.26 -5.01 105.19 97.13 1psy n GLY 12 Ca 0.07 1.12 -0.05 0.00 0.00 0.00 0.00 46.02 47.16 1psy n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1psy n SER 13 N -0.12 -1.02 -4.57 1.61 2.88 -1.26 -5.13 113.62 106.01 1psy n SER 13 Ca 0.05 -2.40 -0.33 0.00 -1.33 0.00 0.00 58.87 54.85 1psy n SER 13 Cb 0.49 0.58 0.13 0.00 -0.75 0.00 0.00 64.21 64.66 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 14 N -0.77 -0.41 -3.67 -3.46 3.41 -1.26 -5.02 113.62 102.44 1psy n SER 14 Ca -0.04 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1psy n SER 14 Cb 0.85 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1psy n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 15 N -2.51 -0.50 -0.33 4.04 2.88 -1.26 -4.84 113.62 111.10 1psy n SER 15 Ca 0.11 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.54 1psy n SER 15 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.51 -0.35 -2.69 -1.46 7.27 -1.26 -3.95 117.38 114.43 1psy n GLN 16 Ca 0.00 1.23 -0.06 0.00 0.07 0.00 0.00 57.00 58.23 1psy n GLN 16 Cb 0.00 -1.80 0.09 0.00 2.41 0.00 0.00 30.24 30.93 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 -4.94 0.95 0.11 3.69 10.64 -1.26 -4.97 117.38 121.61 1psy n GLN 17 Ca 0.02 -1.56 -0.23 0.00 -1.83 0.00 0.00 57.00 53.40 1psy n GLN 17 Cb 0.21 -0.05 -0.14 0.00 -0.86 0.00 0.00 30.24 29.39 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1psy h ARG 19 N 0.15 -0.39 -0.70 0.00 2.43 -1.93 0.89 114.38 114.84 1psy h ARG 19 Ca -0.21 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1psy h ARG 19 Cb 1.99 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 31.59 1psy h ARG 19 CO 0.25 -0.26 0.48 -0.56 -1.51 0.00 0.00 179.97 178.36 1psy h GLN 20 N -0.40 0.25 0.17 0.20 -0.00 -1.99 0.40 115.11 113.74 1psy h GLN 20 Ca 0.07 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.65 58.39 1psy h GLN 20 Cb 0.58 -0.06 0.03 0.00 -0.00 0.00 0.00 27.48 28.03 1psy h GLN 20 CO -0.56 0.17 -1.33 0.93 -0.00 0.00 0.00 178.83 178.04 1psy h GLU 21 N 0.26 0.50 0.00 0.06 4.39 -0.92 -3.29 114.58 115.58 1psy h GLU 21 Ca 0.34 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1psy h GLU 21 Cb 0.97 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1psy h GLU 21 CO -0.08 1.36 0.00 0.28 -1.16 0.00 0.00 179.01 179.41 1psy h VAL 22 N 0.18 0.00 0.00 3.13 2.07 0.23 0.49 116.25 122.35 1psy h VAL 22 Ca -0.20 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1psy h VAL 22 Cb 2.02 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1psy h VAL 22 CO 0.24 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1psy n GLN 23 N -2.68 0.50 0.00 1.57 -0.00 0.12 -3.73 117.38 113.16 1psy n GLN 23 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 1psy n GLN 23 Cb 0.29 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.03 1psy n GLN 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1psy n ARG 24 N -1.00 0.00 0.00 2.61 1.85 -1.05 -4.87 116.66 114.21 1psy n ARG 24 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1psy n ARG 24 Cb 0.06 -0.21 0.00 0.00 -1.05 0.00 0.00 32.46 31.26 1psy n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1psy n LYS 25 N -0.83 0.00 0.00 2.89 5.02 0.17 -4.75 118.16 120.65 1psy n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1psy n LYS 25 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1psy n LYS 25 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1psy n ASP 26 N -0.42 0.00 -3.18 4.39 2.03 -1.23 -4.16 116.55 113.98 1psy n ASP 26 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1psy n ASP 26 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 1psy n ASP 26 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1psy n LEU 27 N 0.00 -0.87 -0.50 -2.67 7.99 -1.26 -4.49 117.00 115.19 1psy n LEU 27 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1psy n LEU 27 Cb 0.00 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1psy n LEU 27 CO 0.00 -0.95 0.25 -0.24 -1.51 0.00 0.00 177.39 174.94 1psy n SER 28 N 4.36 0.00 0.00 -1.43 2.88 -1.26 -4.73 113.62 113.44 1psy n SER 28 Ca 0.48 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1psy n SER 28 Cb 0.09 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.00 0.00 0.13 -3.46 2.88 -1.26 -4.81 113.62 107.09 1psy n SER 29 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1psy n SER 29 Cb 0.68 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.42 0.38 0.00 0.00 4.39 -1.90 -3.02 114.58 114.02 1psy h GLU 31 Ca 0.01 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1psy h GLU 31 Cb 0.42 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1psy h GLU 31 CO -0.09 0.86 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.49 1psy h ARG 32 N 0.29 0.00 0.44 2.33 2.43 -1.67 -0.70 114.38 117.50 1psy h ARG 32 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1psy h ARG 32 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1psy h ARG 32 CO 0.10 0.05 -0.22 -0.92 -1.51 0.00 0.00 179.97 177.46 1psy h TYR 33 N 0.00 -0.57 0.00 2.20 3.20 0.15 0.20 116.97 122.15 1psy h TYR 33 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1psy h TYR 33 Cb 0.09 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1psy h TYR 33 CO 0.00 -0.35 -0.13 1.37 -1.64 0.00 0.00 178.16 177.40 1psy h LEU 34 N -0.60 0.00 0.00 2.82 8.10 -1.60 -2.85 115.31 121.17 1psy h LEU 34 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1psy h LEU 34 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1psy h LEU 34 CO 0.09 0.13 0.00 -1.14 -4.11 0.00 0.00 178.44 173.41 1psy n ARG 35 N -3.16 0.48 -0.08 0.17 0.00 -0.28 -4.92 116.66 108.86 1psy n ARG 35 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1psy n ARG 35 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.48 1psy n ARG 35 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1psy n GLN 36 N -1.22 0.00 0.00 -0.14 7.27 0.66 -5.00 117.38 118.95 1psy n GLN 36 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.21 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 -0.10 0.00 -4.86 1.69 2.88 -1.26 -4.84 113.62 107.13 1psy n SER 37 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1psy n SER 37 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1psy n SER 37 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 38 N 0.00 2.02 -0.62 -3.46 3.41 -1.26 -4.69 113.62 109.02 1psy n SER 38 Ca 0.00 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1psy n SER 38 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1psy n SER 38 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 39 N -2.38 0.00 0.00 4.04 2.88 -1.26 -5.09 113.62 111.81 1psy n SER 39 Ca 0.16 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1psy n SER 39 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 0.00 -1.71 -1.46 0.63 -1.26 -4.83 116.66 108.03 1psy n ARG 40 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1psy n ARG 40 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1psy n ARG 40 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1psy n ARG 41 N -1.64 2.17 -3.64 -0.14 5.12 -1.26 -5.01 116.66 112.27 1psy n ARG 41 Ca 0.00 0.76 -0.04 0.00 -1.93 0.00 0.00 57.85 56.64 1psy n ARG 41 Cb 0.00 -2.39 -0.07 0.00 -1.16 0.00 0.00 32.46 28.85 1psy n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1psy s SER 42 N -0.32 -0.47 0.35 0.55 0.15 -1.26 -5.15 113.70 107.54 1psy s SER 42 Ca 0.56 0.79 -0.29 0.00 0.70 0.00 0.00 55.95 57.72 1psy s SER 42 Cb -0.54 1.06 -0.11 0.00 -1.71 0.00 0.00 66.02 64.72 1psy s SER 42 CO 0.62 -0.13 1.39 0.28 1.20 0.00 0.00 173.24 176.60 1psy s THR 43 N 0.95 2.43 0.00 6.45 -1.32 -1.26 -4.92 115.64 117.97 1psy s THR 43 Ca -0.05 0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1psy s THR 43 Cb -0.04 -3.27 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1psy s THR 43 CO -0.12 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1psy n GLY 44 N 0.74 1.34 2.06 6.08 0.00 -1.26 -5.10 105.19 109.05 1psy n GLY 44 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1psy n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 45 N 0.00 0.00 -3.48 1.61 2.13 -1.26 -5.08 120.64 114.56 1psy n GLU 45 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1psy n GLU 45 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1psy n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1psy s GLU 46 N -2.00 0.23 0.00 5.31 2.12 -1.26 -4.95 118.70 118.15 1psy s GLU 46 Ca 0.00 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1psy s GLU 46 Cb 0.00 -1.03 0.00 0.00 0.26 0.00 0.00 34.13 33.37 1psy s GLU 46 CO 0.00 -0.94 1.00 1.55 -0.54 0.00 0.00 175.26 176.33 1psy n VAL 47 N 5.29 0.00 0.41 3.70 3.14 -1.26 -4.56 118.33 125.05 1psy n VAL 47 Ca -0.04 -0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.40 1psy n VAL 47 Cb 0.45 0.50 -0.09 0.00 -1.06 0.00 0.00 33.84 33.64 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 0.00 0.41 -0.13 6.55 -0.00 -1.26 -4.61 117.00 117.96 1psy n LEU 48 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1psy n LEU 48 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 1psy n LEU 48 CO -0.00 0.10 0.22 -1.14 -0.00 0.00 0.00 177.39 176.57 1psy n ARG 49 N -1.59 0.00 -2.99 1.47 0.63 -1.26 -5.02 116.66 107.90 1psy n ARG 49 Ca 0.01 -0.52 0.00 0.00 -0.92 0.00 0.00 57.85 56.42 1psy n ARG 49 Cb 0.28 -0.41 -0.00 0.00 0.45 0.00 0.00 32.46 32.78 1psy n ARG 49 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1psy s MET 50 N 0.00 0.62 0.26 -0.14 1.75 -1.26 -5.02 119.30 115.51 1psy s MET 50 Ca 0.00 -0.29 0.24 0.00 -1.25 0.00 0.00 55.69 54.39 1psy s MET 50 Cb 0.00 0.05 0.97 0.00 2.84 0.00 0.00 34.83 38.69 1psy s MET 50 CO 0.00 -0.87 1.73 -0.35 -0.65 0.00 0.00 175.02 174.88 1psy n PRO 51 N 3.91 0.21 0.00 4.11 -0.04 -1.26 -4.13 135.00 137.80 1psy n PRO 51 Ca 0.10 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1psy n PRO 51 Cb 0.59 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.19 1.15 1.75 0.55 0.00 -1.26 -4.92 105.19 102.64 1psy n GLY 52 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1psy n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1psy n ASP 53 N 0.00 -2.02 -4.42 1.61 2.03 -1.26 -5.10 116.55 107.40 1psy n ASP 53 Ca 0.00 0.48 -0.39 0.00 0.52 0.00 0.00 54.79 55.40 1psy n ASP 53 Cb 0.00 2.10 -0.11 0.00 -0.72 0.00 0.00 41.12 42.38 1psy n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1psy s GLU 54 N -2.00 3.13 -0.29 -0.67 0.41 -1.26 -5.03 118.70 112.99 1psy s GLU 54 Ca 0.00 -0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 53.52 1psy s GLU 54 Cb 0.00 -3.64 0.12 0.00 -1.78 0.00 0.00 34.13 28.83 1psy s GLU 54 CO 0.00 -0.54 0.90 0.54 -0.49 0.00 0.00 175.26 175.67 1psy s ASN 55 N 1.59 -0.63 0.76 -0.19 4.22 -1.26 -4.56 114.94 114.88 1psy s ASN 55 Ca 0.04 1.03 -0.11 0.00 -2.14 0.00 0.00 52.86 51.68 1psy s ASN 55 Cb -0.18 1.22 0.05 0.00 1.28 0.00 0.00 41.25 43.62 1psy s ASN 55 CO 0.07 -0.17 1.08 -1.10 -2.04 0.00 0.00 177.10 174.94 1psy s GLN 56 N 1.25 2.37 -0.45 3.55 -1.52 -1.26 -5.02 119.66 118.57 1psy s GLN 56 Ca -0.07 1.00 0.04 0.00 -1.95 0.00 0.00 55.36 54.38 1psy s GLN 56 Cb -0.04 -1.92 0.19 0.00 -0.22 0.00 0.00 33.01 31.02 1psy s GLN 56 CO -0.15 -1.51 0.78 -1.14 -0.25 0.00 0.00 175.29 173.02 1psy s GLN 57 N -4.98 0.83 0.00 2.91 0.74 -1.26 -4.58 119.66 113.32 1psy s GLN 57 Ca 0.60 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 55.33 1psy s GLN 57 Cb -0.16 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 33.95 1psy s GLN 57 CO 0.56 -1.07 0.00 0.94 -0.55 0.00 0.00 175.29 175.16 1psy n GLN 58 N 3.31 0.00 -0.27 1.67 7.27 -1.26 -4.98 117.38 123.12 1psy n GLN 58 Ca 0.15 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.29 1psy n GLN 58 Cb 0.58 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.34 1psy n GLN 58 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1psy n GLU 59 N -2.04 1.00 -2.68 3.69 0.28 -1.26 -4.77 120.64 114.86 1psy n GLU 59 Ca 0.00 -2.31 -0.04 0.00 -0.16 0.00 0.00 57.16 54.65 1psy n GLU 59 Cb 0.00 -1.25 0.09 0.00 1.43 0.00 0.00 31.44 31.71 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 -1.03 -1.45 0.26 -1.84 3.41 -1.26 -4.98 113.62 106.73 1psy n SER 60 Ca 0.13 -2.19 0.15 0.00 -0.26 0.00 0.00 58.87 56.69 1psy n SER 60 Cb 0.68 1.27 0.69 0.00 -0.26 0.00 0.00 64.21 66.58 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 2.15 0.00 0.00 4.33 -0.00 -1.86 -2.44 115.11 117.29 1psy h GLN 61 Ca -0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.28 1psy h GLN 61 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.68 1psy h GLN 61 CO -0.02 0.10 -0.23 0.37 -0.00 0.00 0.00 178.83 179.05 1psy h GLN 62 N 0.00 0.00 0.00 0.06 -0.00 -1.91 -2.43 115.11 110.83 1psy h GLN 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1psy h GLN 62 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.96 1psy h GLN 62 CO 0.01 0.23 0.00 -0.07 0.00 0.00 0.00 178.83 179.01 1psy h LEU 63 N 0.00 0.00 -1.33 -2.39 4.07 -1.80 -2.00 115.31 111.85 1psy h LEU 63 Ca -0.00 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.22 1psy h LEU 63 Cb 0.57 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.22 1psy h LEU 63 CO 0.03 0.00 0.66 0.06 -1.08 0.00 0.00 178.44 178.11 1psy h GLN 64 N 0.00 0.41 -0.34 1.13 3.07 -1.55 0.04 115.11 117.87 1psy h GLN 64 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 1psy h GLN 64 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 1psy h GLN 64 CO 0.00 0.27 -0.07 1.96 0.09 0.00 0.00 178.83 181.09 1psy h GLN 65 N 0.42 0.65 0.28 0.06 4.20 -1.56 0.92 115.11 120.08 1psy h GLN 65 Ca 0.59 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1psy h GLN 65 Cb 1.45 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 1psy h GLN 65 CO -0.31 0.81 -0.30 0.00 -0.67 0.00 0.00 178.83 178.36 1psy h ASN 68 N -0.32 0.69 0.13 0.00 -1.24 -0.73 0.32 115.58 114.43 1psy h ASN 68 Ca 0.06 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1psy h ASN 68 Cb 0.41 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1psy h ASN 68 CO -0.20 0.31 -0.06 1.56 -1.29 0.00 0.00 177.43 177.75 1psy h GLN 69 N 0.71 -0.17 0.00 6.67 1.08 0.15 -2.68 115.11 120.86 1psy h GLN 69 Ca 0.49 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 1psy h GLN 69 Cb 0.81 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1psy h GLN 69 CO -0.25 0.13 -0.06 0.28 -0.95 0.00 0.00 178.83 177.98 1psy h VAL 70 N -0.48 0.18 0.00 -0.54 2.07 0.42 0.22 116.25 118.12 1psy h VAL 70 Ca -0.02 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1psy h VAL 70 Cb 0.38 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1psy h VAL 70 CO 0.03 0.06 0.00 1.17 0.02 0.00 0.00 177.57 178.85 1psy n LYS 71 N -3.22 0.11 -0.00 1.57 0.00 0.11 -1.94 118.16 114.79 1psy n LYS 71 Ca -0.00 0.26 0.14 0.00 0.00 0.00 0.00 58.31 58.72 1psy n LYS 71 Cb 0.30 -1.68 0.62 0.00 0.00 0.00 0.00 35.03 34.27 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 -1.89 1.51 -0.83 1.64 6.02 0.76 -4.94 117.38 119.66 1psy n GLN 72 Ca 0.04 -0.74 -0.29 0.00 -0.01 0.00 0.00 57.00 56.00 1psy n GLN 72 Cb 0.26 -1.48 0.23 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.00 1.90 -0.11 5.09 0.11 -0.82 -4.37 120.40 120.20 1psy s VAL 73 Ca 0.40 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1psy s VAL 73 Cb 0.21 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.76 1psy s VAL 73 CO 0.34 0.00 -0.13 0.03 -3.33 0.00 0.00 175.10 172.02 1psy h ARG 74 N -2.44 0.00 0.00 1.54 2.47 -1.92 -3.49 114.38 110.55 1psy h ARG 74 Ca -0.56 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 1psy h ARG 74 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1psy h ARG 74 CO 0.50 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.56 1psy n ASP 75 N -4.21 0.00 -2.30 7.04 2.03 -1.26 -4.98 116.55 112.87 1psy n ASP 75 Ca -0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 1psy n ASP 75 Cb 0.19 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.67 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1psy n GLU 76 N 0.00 2.61 -0.00 -0.67 0.00 -1.26 -3.81 120.64 117.50 1psy n GLU 76 Ca 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 57.16 54.00 1psy n GLU 76 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.20 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1psy n GLN 78 N -0.29 0.00 -0.21 0.00 6.02 -1.25 -0.65 117.38 121.00 1psy n GLN 78 Ca 0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 57.03 1psy n GLN 78 Cb 0.36 -0.95 0.07 0.00 1.02 0.00 0.00 30.24 30.75 1psy n GLN 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1psy h GLU 80 N 0.66 0.21 -0.11 0.00 4.57 -1.88 0.32 114.58 118.35 1psy h GLU 80 Ca 0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1psy h GLU 80 Cb 0.11 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1psy h GLU 80 CO -0.14 0.14 0.07 0.00 -1.18 0.00 0.00 179.01 177.90 1psy h ALA 81 N 1.77 0.14 -0.18 2.92 0.00 0.21 -0.22 119.26 123.89 1psy h ALA 81 Ca 0.54 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.46 1psy h ALA 81 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1psy h ALA 81 CO -0.64 -0.38 0.07 0.82 0.00 0.00 0.00 179.25 179.12 1psy h ILE 82 N 0.14 0.97 0.00 0.00 1.08 -0.55 -0.98 117.51 118.16 1psy h ILE 82 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1psy h ILE 82 Cb -0.01 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1psy h ILE 82 CO -0.01 0.03 0.00 0.29 -0.69 0.00 0.00 178.15 177.76 1psy n LYS 83 N -5.04 0.34 -0.26 2.37 4.01 0.98 0.32 118.16 120.88 1psy n LYS 83 Ca -0.03 0.08 0.07 0.00 -0.51 0.00 0.00 58.31 57.92 1psy n LYS 83 Cb 0.06 -1.50 0.21 0.00 -0.51 0.00 0.00 35.03 33.29 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 -1.15 0.67 0.18 2.13 9.36 -0.11 -3.52 117.16 124.71 1psy n TYR 84 Ca 0.09 -0.54 0.00 0.00 3.32 0.00 0.00 57.90 60.77 1psy n TYR 84 Cb 0.09 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 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 0.68 0.00 0.44 2.97 0.13 -0.76 -4.69 119.36 118.13 1psy n ILE 85 Ca 0.16 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.63 1psy n ILE 85 Cb 0.53 -0.08 -0.09 0.00 -0.84 0.00 0.00 39.64 39.16 1psy n ILE 85 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1psy h ALA 86 N 0.00 -1.30 -0.10 1.51 0.00 -0.36 0.19 119.26 119.20 1psy h ALA 86 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1psy h ALA 86 Cb 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1psy h ALA 86 CO 0.00 -1.22 -0.52 1.49 0.00 0.00 0.00 179.25 179.00 1psy h GLU 87 N -1.15 0.27 0.66 0.00 4.57 -1.63 -0.94 114.58 116.36 1psy h GLU 87 Ca -0.11 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 1psy h GLU 87 Cb 0.89 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1psy h GLU 87 CO 0.17 0.72 -0.32 0.22 -1.18 0.00 0.00 179.01 178.63 1psy h ASP 88 N 0.21 -0.75 -0.69 1.04 3.58 -1.60 -2.04 116.42 116.17 1psy h ASP 88 Ca 0.01 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.54 1psy h ASP 88 Cb 0.99 0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 1psy h ASP 88 CO 0.08 -0.41 0.46 0.06 -2.88 0.00 0.00 179.24 176.56 1psy h GLN 89 N -1.10 0.56 -0.46 0.28 3.07 -0.66 0.20 115.11 117.01 1psy h GLN 89 Ca -0.09 -0.03 0.04 0.00 0.09 0.00 0.00 58.65 58.65 1psy h GLN 89 Cb 0.71 -0.13 -0.04 0.00 0.08 0.00 0.00 27.48 28.11 1psy h GLN 89 CO 0.15 0.37 0.23 0.82 0.09 0.00 0.00 178.83 180.49 1psy h ILE 90 N 0.58 0.97 -0.07 1.86 2.04 -0.87 0.47 117.51 122.49 1psy h ILE 90 Ca 0.32 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 1psy h ILE 90 Cb 0.47 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1psy h ILE 90 CO -0.11 0.08 -0.31 1.56 0.00 0.00 0.00 178.15 179.38 1psy h GLN 91 N 0.46 0.33 0.69 2.37 4.20 -0.39 -3.17 115.11 119.61 1psy h GLN 91 Ca 0.20 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1psy h GLN 91 Cb 0.10 0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1psy h GLN 91 CO -0.13 0.91 -0.33 0.37 -0.67 0.00 0.00 178.83 178.97 1psy h GLN 92 N -0.16 -0.90 -7.09 1.46 4.15 -0.52 -3.45 115.11 108.61 1psy h GLN 92 Ca -0.02 0.06 -0.41 0.00 0.77 0.00 0.00 58.65 59.06 1psy h GLN 92 Cb 0.96 0.20 0.21 0.00 0.21 0.00 0.00 27.48 29.07 1psy h GLN 92 CO 0.06 -0.57 -0.06 0.20 -1.93 0.00 0.00 178.83 176.53 1psy s GLY 93 N -2.33 1.47 0.00 2.39 0.00 0.16 -4.89 107.32 104.12 1psy s GLY 93 Ca -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1psy s GLY 93 CO 0.52 0.36 1.75 -1.06 0.00 0.00 0.00 173.10 174.67 1psy n GLN 94 N -5.34 0.99 -0.31 2.90 6.02 -1.26 -4.23 117.38 116.14 1psy n GLN 94 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1psy n GLN 94 Cb 0.58 -1.01 0.17 0.00 1.02 0.00 0.00 30.24 31.00 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1psy n LEU 95 N 1.28 2.60 0.00 1.08 7.99 -1.20 -4.81 117.00 123.95 1psy n LEU 95 Ca 0.00 -1.31 -0.20 0.00 -0.01 0.00 0.00 56.01 54.49 1psy n LEU 95 Cb 0.49 -0.42 0.10 0.00 -0.11 0.00 0.00 43.42 43.48 1psy n LEU 95 CO 0.00 0.45 0.48 1.41 -1.51 0.00 0.00 177.39 178.22 1psy n HIS 96 N 0.40 -3.01 0.00 -1.77 8.25 -1.25 -0.24 115.22 117.59 1psy n HIS 96 Ca 0.12 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.09 1psy n HIS 96 Cb 0.51 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.56 1.88 2.63 -1.41 0.00 -1.26 -3.64 105.19 101.82 1psy n GLY 97 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.36 -0.61 1.61 2.13 -1.26 -5.00 120.64 117.87 1psy n GLU 98 Ca 0.00 -0.87 -0.01 0.00 0.66 0.00 0.00 57.16 56.94 1psy n GLU 98 Cb 0.00 -0.01 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 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 -0.53 0.00 -0.02 5.31 0.28 -1.24 -4.89 120.64 119.55 1psy n GLU 99 Ca -0.23 -0.43 -0.21 0.00 -0.16 0.00 0.00 57.16 56.13 1psy n GLU 99 Cb 0.68 -0.05 -0.14 0.00 1.43 0.00 0.00 31.44 33.36 1psy n GLU 99 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1psy n SER 100 N 0.02 2.07 0.11 -1.84 2.88 0.66 -3.92 113.62 113.60 1psy n SER 100 Ca -0.03 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1psy n SER 100 Cb 0.60 -0.76 0.22 0.00 -0.75 0.00 0.00 64.21 63.51 1psy n SER 100 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1psy h GLU 101 N 0.06 0.18 0.00 -1.46 4.57 -1.90 -1.79 114.58 114.24 1psy h GLU 101 Ca -0.45 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 1psy h GLU 101 Cb 2.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.60 1psy h GLU 101 CO 0.06 0.61 -0.08 0.07 -1.18 0.00 0.00 179.01 178.49 1psy h ARG 102 N 0.15 0.00 0.00 1.92 0.11 -1.91 -1.38 114.38 113.27 1psy h ARG 102 Ca 0.01 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.90 1psy h ARG 102 Cb 0.88 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.93 1psy h ARG 102 CO 0.07 0.08 -1.01 0.28 0.10 0.00 0.00 179.97 179.48 1psy h VAL 103 N 0.00 1.23 -0.64 0.08 2.07 -1.45 -3.19 116.25 114.36 1psy h VAL 103 Ca -0.00 -2.84 -0.04 0.00 0.82 0.00 0.00 66.70 64.63 1psy h VAL 103 Cb 0.29 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1psy h VAL 103 CO 0.01 0.70 0.23 0.00 0.02 0.00 0.00 177.57 178.53 1psy h ALA 104 N 1.18 0.83 -0.41 1.67 0.00 -0.97 -1.47 119.26 120.08 1psy h ALA 104 Ca -0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1psy h ALA 104 Cb 1.68 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1psy h ALA 104 CO 0.10 0.47 -0.16 -0.56 0.00 0.00 0.00 179.25 179.10 1psy h GLN 105 N 0.90 0.77 0.74 0.00 3.07 -1.59 -1.79 115.11 117.21 1psy h GLN 105 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 1psy h GLN 105 Cb 0.25 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 27.76 1psy h GLN 105 CO -0.01 0.88 -0.36 0.00 0.09 0.00 0.00 178.83 179.44 1psy h ARG 106 N 0.69 -0.96 -0.72 0.06 2.47 -1.41 -1.52 114.38 113.00 1psy h ARG 106 Ca 0.11 0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1psy h ARG 106 Cb 0.65 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.16 1psy h ARG 106 CO 0.05 -0.62 0.42 0.00 0.56 0.00 0.00 179.97 180.38 1psy h ALA 107 N -0.97 1.40 -1.03 0.04 0.00 -1.33 -1.30 119.26 116.07 1psy h ALA 107 Ca -0.10 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.00 1psy h ALA 107 Cb 0.78 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1psy h ALA 107 CO 0.17 0.51 0.71 0.78 0.00 0.00 0.00 179.25 181.42 1psy h GLY 108 N 1.02 0.58 0.91 0.00 0.00 -1.02 0.11 103.07 104.67 1psy h GLY 108 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1psy h GLY 108 CO -0.05 -0.05 -0.39 0.83 0.00 0.00 0.00 176.54 176.88 1psy h GLU 109 N 0.20 -0.97 0.00 4.80 5.08 -0.18 -0.11 114.58 123.40 1psy h GLU 109 Ca 0.54 0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.88 1psy h GLU 109 Cb 1.72 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1psy h GLU 109 CO -0.14 -0.65 -0.38 0.82 -1.00 0.00 0.00 179.01 177.66 1psy h ILE 110 N -1.01 0.87 0.05 3.13 1.08 -1.40 -2.64 117.51 117.60 1psy h ILE 110 Ca -0.09 -1.57 -0.00 0.00 -0.39 0.00 0.00 64.86 62.80 1psy h ILE 110 Cb 0.80 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1psy h ILE 110 CO 0.12 0.37 -0.03 0.58 -0.69 0.00 0.00 178.15 178.51 1psy h VAL 111 N 0.00 0.95 -0.17 1.67 2.07 -0.60 -1.34 116.25 118.82 1psy h VAL 111 Ca -0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1psy h VAL 111 Cb 0.94 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1psy h VAL 111 CO 0.05 0.01 0.28 0.77 0.02 0.00 0.00 177.57 178.70 1psy h SER 112 N -0.09 0.00 0.05 0.57 4.64 -0.64 0.92 113.55 119.01 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1psy h SER 112 CO 0.01 0.00 -0.03 -1.28 -0.87 0.00 0.00 176.83 174.67 1psy h SER 113 N 0.00 -0.06 0.00 4.97 0.87 -1.21 -3.46 113.55 114.66 1psy h SER 113 Ca 0.08 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 1psy h SER 113 Cb 0.64 0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 1psy h SER 113 CO -0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 176.83 176.05 1psy n GLY 115 N -1.00 3.31 3.02 0.00 0.00 0.27 -4.36 105.19 106.43 1psy n GLY 115 Ca -0.19 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.41 0.94 0.00 1.61 0.31 -0.88 -4.43 118.33 115.46 1psy n VAL 116 Ca 0.13 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1psy n VAL 116 Cb 0.89 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 5.77 0.00 0.00 5.55 3.00 -1.26 -4.32 116.66 125.40 1psy n ARG 117 Ca 0.30 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 58.17 1psy n ARG 117 Cb 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 32.46 32.65 1psy n ARG 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n MET 119 N 0.08 2.67 0.00 0.00 0.00 -1.26 -4.58 117.12 114.03 1psy n MET 119 Ca 0.03 -2.44 0.00 0.00 0.00 0.00 0.00 57.70 55.29 1psy n MET 119 Cb 0.16 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 31.82 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 1.41 0.00 -0.72 2.12 3.00 -1.26 -4.78 116.66 116.43 1psy n ARG 120 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1psy n ARG 120 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 33.02 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 -2.24 2.43 -0.19 -0.14 -0.06 -1.23 -5.01 117.38 110.94 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1psy n GLN 121 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1psy n THR 122 N 0.00 0.00 0.00 1.69 -2.24 -1.19 -3.93 114.28 108.61 1psy n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1psy n THR 122 Cb 0.00 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1psy n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1psy n ARG 123 N -0.24 0.00 -0.83 -0.78 1.74 -1.26 -4.47 116.66 110.82 1psy n ARG 123 Ca 0.00 0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1psy n ARG 123 Cb 0.00 -0.60 0.14 0.00 -1.02 0.00 0.00 32.46 30.98 1psy n ARG 123 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1psy n THR 124 N -0.37 0.43 1.73 0.55 5.66 -1.26 -3.95 114.28 117.06 1psy n THR 124 Ca 0.00 -0.14 0.14 0.00 -3.05 0.00 0.00 64.05 61.00 1psy n THR 124 Cb 0.00 -0.85 0.82 0.00 -1.55 0.00 0.00 70.33 68.76 1psy n THR 124 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82