#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh s SER 2 N 0.00 -0.06 -0.27 1.61 0.01 -1.26 -5.14 113.70 108.59 1veh s SER 2 Ca 0.00 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1veh s SER 2 Cb 0.00 0.51 0.11 0.00 0.21 0.00 0.00 66.02 66.85 1veh s SER 2 CO 0.00 -1.00 0.20 -0.55 0.41 0.00 0.00 173.24 172.31 1veh s SER 3 N -2.97 2.41 0.00 2.44 0.15 -1.26 -5.12 113.70 109.36 1veh s SER 3 Ca 0.17 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1veh s SER 3 Cb 0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1veh s SER 3 CO 0.02 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1veh n GLY 4 N 5.29 2.09 3.12 9.45 0.00 -1.26 -5.09 105.19 118.79 1veh n GLY 4 Ca -0.05 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1veh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh s SER 5 N 0.00 5.29 -0.08 1.61 0.01 -1.26 -5.04 113.70 114.23 1veh s SER 5 Ca 0.00 -2.20 -0.31 0.00 1.31 0.00 0.00 55.95 54.75 1veh s SER 5 Cb 0.00 -1.85 0.09 0.00 0.21 0.00 0.00 66.02 64.47 1veh s SER 5 CO 0.00 -0.52 0.78 -0.94 0.41 0.00 0.00 173.24 172.97 1veh s SER 6 N 1.65 -0.57 1.00 2.44 1.04 -1.26 -5.16 113.70 112.84 1veh s SER 6 Ca 0.10 0.63 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 1veh s SER 6 Cb -0.22 0.48 -0.15 0.00 0.10 0.00 0.00 66.02 66.23 1veh s SER 6 CO -0.04 -0.53 -0.91 0.61 0.98 0.00 0.00 173.24 173.35 1veh n GLY 7 N 0.87 -4.04 0.06 7.32 0.00 -1.26 -4.95 105.19 103.20 1veh n GLY 7 Ca -0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1veh n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 8 N -1.06 0.00 -0.08 1.61 0.02 -2.02 -3.48 113.55 108.54 1veh h SER 8 Ca -0.43 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1veh h SER 8 Cb 1.33 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.71 1veh h SER 8 CO 0.24 0.67 -0.07 -0.70 -1.14 0.00 0.00 176.83 175.83 1veh s GLU 9 N -1.99 0.08 -0.46 3.45 2.12 -1.26 -5.09 118.70 115.55 1veh s GLU 9 Ca -0.09 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1veh s GLU 9 Cb 0.01 0.00 0.23 0.00 0.26 0.00 0.00 34.13 34.63 1veh s GLU 9 CO 0.14 -0.11 0.71 0.39 -0.54 0.00 0.00 175.26 175.86 1veh n GLU 10 N 3.03 0.66 -0.83 4.30 1.02 -1.26 -5.14 120.64 122.42 1veh n GLU 10 Ca 0.08 -2.30 -0.32 0.00 -0.02 0.00 0.00 57.16 54.60 1veh n GLU 10 Cb 0.65 -1.42 0.15 0.00 -0.02 0.00 0.00 31.44 30.80 1veh n GLU 10 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1veh s ASP 11 N -0.94 3.16 0.46 1.62 1.01 -1.26 -5.04 116.67 115.68 1veh s ASP 11 Ca 0.33 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.80 1veh s ASP 11 Cb 0.16 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1veh s ASP 11 CO -0.17 -2.94 0.06 -0.67 0.21 0.00 0.00 175.17 171.65 1veh n ASP 12 N -3.98 3.15 0.22 0.27 -0.08 -1.26 -5.00 116.55 109.87 1veh n ASP 12 Ca 0.12 -2.94 0.10 0.00 -1.51 0.00 0.00 54.79 50.56 1veh n ASP 12 Cb 0.52 0.26 0.46 0.00 2.34 0.00 0.00 41.12 44.70 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1veh h GLU 13 N 0.00 0.00 -0.11 -0.67 5.08 -1.98 -0.84 114.58 116.06 1veh h GLU 13 Ca -0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.76 1veh h GLU 13 Cb 1.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1veh h GLU 13 CO 0.60 0.24 -0.85 -0.24 -1.00 0.00 0.00 179.01 177.76 1veh h VAL 14 N 0.00 1.29 -0.07 3.13 3.04 -2.00 -2.89 116.25 118.75 1veh h VAL 14 Ca -0.00 -2.06 -0.04 0.00 -1.01 0.00 0.00 66.70 63.58 1veh h VAL 14 Cb 0.73 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1veh h VAL 14 CO 0.03 0.65 -0.11 0.58 -1.01 0.00 0.00 177.57 177.71 1veh h VAL 15 N 0.48 1.40 -0.14 1.51 2.07 -1.89 -2.57 116.25 117.11 1veh h VAL 15 Ca -0.07 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.10 1veh h VAL 15 Cb 1.48 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1veh h VAL 15 CO 0.17 0.38 0.38 0.00 0.02 0.00 0.00 177.57 178.53 1veh h ALA 16 N 0.50 1.61 0.04 1.67 0.00 -1.21 0.15 119.26 122.02 1veh h ALA 16 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1veh h ALA 16 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1veh h ALA 16 CO 0.03 -0.45 -0.02 1.98 0.00 0.00 0.00 179.25 180.79 1veh h MET 17 N 0.00 -0.05 -0.88 0.00 4.05 -1.26 -3.22 114.93 113.58 1veh h MET 17 Ca 0.07 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.61 1veh h MET 17 Cb 0.83 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.55 1veh h MET 17 CO -0.00 0.07 0.50 0.82 0.23 0.00 0.00 176.91 178.52 1veh h ILE 18 N -1.01 0.83 -0.38 1.77 2.04 -0.89 -1.37 117.51 118.50 1veh h ILE 18 Ca -0.00 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.66 1veh h ILE 18 Cb 0.14 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.13 1veh h ILE 18 CO 0.01 0.14 -0.44 0.11 0.00 0.00 0.00 178.15 177.97 1veh h LYS 19 N 0.76 -0.34 0.20 2.37 1.57 -0.88 1.13 116.57 121.39 1veh h LYS 19 Ca 0.45 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.27 1veh h LYS 19 Cb 0.53 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1veh h LYS 19 CO -0.30 -0.22 -0.38 1.49 -0.57 0.00 0.00 179.45 179.46 1veh h GLU 20 N -0.35 -0.65 -0.04 3.15 4.81 -1.28 0.25 114.58 120.47 1veh h GLU 20 Ca 0.13 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1veh h GLU 20 Cb 0.59 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1veh h GLU 20 CO -0.56 -0.43 0.19 1.25 -0.73 0.00 0.00 179.01 178.73 1veh h LEU 21 N -0.67 0.00 -0.06 1.64 6.46 -0.59 2.06 115.31 124.15 1veh h LEU 21 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1veh h LEU 21 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1veh h LEU 21 CO -0.17 0.00 -0.21 0.18 -0.62 0.00 0.00 178.44 177.62 1veh n LEU 22 N -3.13 0.31 -0.03 2.25 7.99 0.38 -3.85 117.00 120.91 1veh n LEU 22 Ca -0.02 0.19 -0.04 0.00 -0.01 0.00 0.00 56.01 56.14 1veh n LEU 22 Cb 0.26 -0.33 -0.04 0.00 -0.11 0.00 0.00 43.42 43.21 1veh n LEU 22 CO 0.18 0.07 -0.71 0.47 -1.51 0.00 0.00 177.39 175.89 1veh n ASP 23 N -1.35 3.53 -0.03 -1.43 9.92 0.56 -0.16 116.55 127.59 1veh n ASP 23 Ca 0.08 -0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.31 1veh n ASP 23 Cb 0.32 0.17 -0.01 0.00 -0.64 0.00 0.00 41.12 40.96 1veh n ASP 23 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1veh n THR 24 N -2.52 -0.05 -2.57 -3.53 -2.24 0.57 -4.06 114.28 99.87 1veh n THR 24 Ca -0.11 1.28 -0.02 0.00 -2.27 0.00 0.00 64.05 62.93 1veh n THR 24 Cb 0.65 -1.68 0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1veh n THR 24 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1veh n ARG 25 N -3.01 1.04 -0.01 -0.78 1.74 -1.26 -4.86 116.66 109.52 1veh n ARG 25 Ca 0.00 -1.88 -0.05 0.00 -0.77 0.00 0.00 57.85 55.15 1veh n ARG 25 Cb 0.02 -0.15 -0.02 0.00 -1.02 0.00 0.00 32.46 31.29 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1veh n ILE 26 N -0.76 1.02 -0.04 0.55 5.41 -1.26 -4.21 119.36 120.08 1veh n ILE 26 Ca -0.10 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.67 1veh n ILE 26 Cb 0.86 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.94 1veh n ILE 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1veh h ARG 27 N -0.33 0.19 0.00 0.38 2.43 -0.76 0.17 114.38 116.46 1veh h ARG 27 Ca -0.09 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1veh h ARG 27 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1veh h ARG 27 CO -0.05 0.61 0.00 -0.35 -1.51 0.00 0.00 179.97 178.67 1veh n PRO 28 N -4.70 0.35 -0.09 0.20 -0.04 -1.26 -3.26 135.00 126.20 1veh n PRO 28 Ca -0.07 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1veh n PRO 28 Cb 0.30 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 1veh n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1veh n THR 29 N -1.27 1.48 -0.33 0.52 -1.04 -1.08 -4.19 114.28 108.36 1veh n THR 29 Ca 0.11 0.11 0.17 0.00 -2.04 0.00 0.00 64.05 62.40 1veh n THR 29 Cb 0.17 -2.31 0.33 0.00 -1.82 0.00 0.00 70.33 66.71 1veh n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1veh h VAL 30 N -1.00 0.05 -0.29 12.58 2.07 -0.73 0.69 116.25 129.61 1veh h VAL 30 Ca -0.07 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1veh h VAL 30 Cb 0.94 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1veh h VAL 30 CO -0.05 0.01 -0.30 1.56 0.02 0.00 0.00 177.57 178.81 1veh h GLN 31 N 0.03 -0.27 -1.17 1.57 4.20 -1.46 1.20 115.11 119.21 1veh h GLN 31 Ca 0.63 0.02 0.35 0.00 0.06 0.00 0.00 58.65 59.70 1veh h GLN 31 Cb 1.36 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 29.10 1veh h GLN 31 CO -0.87 -0.18 0.75 0.93 -0.67 0.00 0.00 178.83 178.79 1veh h GLU 32 N -0.29 0.23 0.00 1.46 5.08 0.22 -0.61 114.58 120.68 1veh h GLU 32 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1veh h GLU 32 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1veh h GLU 32 CO -0.45 0.15 -0.30 0.22 -1.00 0.00 0.00 179.01 177.63 1veh h ASP 33 N 0.24 0.00 0.00 1.42 3.58 -0.30 -3.50 116.42 117.86 1veh h ASP 33 Ca 0.70 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1veh h ASP 33 Cb 2.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.07 1veh h ASP 33 CO -0.35 0.91 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 1veh n GLY 34 N 1.63 0.72 0.00 -0.78 0.00 0.38 -4.35 105.19 102.78 1veh n GLY 34 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1veh n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1veh n GLY 35 N 0.00 3.12 3.25 -0.02 0.00 -1.19 -2.36 105.19 107.99 1veh n GLY 35 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1veh n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1veh s ASP 36 N 0.00 3.58 -0.15 1.61 2.15 -1.01 -2.47 116.67 120.39 1veh s ASP 36 Ca 0.00 -0.49 -0.21 0.00 0.43 0.00 0.00 52.55 52.28 1veh s ASP 36 Cb 0.00 -1.55 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 1veh s ASP 36 CO 0.00 0.08 0.62 0.54 -0.17 0.00 0.00 175.17 176.24 1veh s VAL 37 N 0.85 5.06 -0.35 1.11 0.11 -1.26 -3.16 120.40 122.76 1veh s VAL 37 Ca -0.05 1.21 -0.00 0.00 -2.93 0.00 0.00 61.98 60.21 1veh s VAL 37 Cb -0.15 -3.94 0.12 0.00 -1.53 0.00 0.00 36.38 30.87 1veh s VAL 37 CO -0.01 0.19 0.16 -0.63 -3.33 0.00 0.00 175.10 171.48 1veh s ILE 38 N 1.35 0.77 -0.53 7.04 -1.09 -1.26 -4.85 121.20 122.63 1veh s ILE 38 Ca 0.30 -1.66 -0.27 0.00 -2.23 0.00 0.00 60.65 56.79 1veh s ILE 38 Cb -0.16 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 1veh s ILE 38 CO 0.12 -0.79 1.74 -0.47 -1.23 0.00 0.00 174.94 174.32 1veh s TYR 39 N 1.27 1.84 -0.42 3.97 5.04 -1.25 -1.35 117.35 126.45 1veh s TYR 39 Ca 0.13 0.68 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 1veh s TYR 39 Cb -0.20 -4.17 0.13 0.00 0.35 0.00 0.00 41.96 38.07 1veh s TYR 39 CO -0.16 -2.39 0.20 1.03 -1.34 0.00 0.00 175.55 172.90 1veh s ARG 40 N 6.35 1.24 0.00 4.97 1.81 0.20 -4.99 118.95 128.53 1veh s ARG 40 Ca 0.67 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 1veh s ARG 40 Cb -0.15 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 1veh s ARG 40 CO 0.25 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 1veh n GLY 41 N 3.79 2.54 2.70 -3.53 0.00 -1.26 -4.52 105.19 104.90 1veh n GLY 41 Ca 0.06 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 1veh n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1veh s PHE 42 N -0.77 -0.10 -0.02 1.61 2.19 -1.26 -1.60 117.98 118.03 1veh s PHE 42 Ca 0.00 -0.01 -0.05 0.00 0.33 0.00 0.00 56.93 57.20 1veh s PHE 42 Cb 0.00 -0.50 0.00 0.00 -1.31 0.00 0.00 43.02 41.22 1veh s PHE 42 CO 0.00 -0.59 0.11 -1.21 1.83 0.00 0.00 175.22 175.36 1veh s GLU 43 N 2.26 0.29 -1.50 10.12 2.02 -1.22 -4.80 118.70 125.86 1veh s GLU 43 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1veh s GLU 43 Cb -0.16 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.20 1veh s GLU 43 CO -0.12 -0.06 0.00 -0.25 0.02 0.00 0.00 175.26 174.85 1veh n ASP 44 N 2.26 -3.74 0.00 -0.19 8.00 -1.26 -0.75 116.55 120.87 1veh n ASP 44 Ca -0.18 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1veh n ASP 44 Cb 0.57 -3.46 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1veh n GLY 45 N -0.26 1.99 3.53 0.44 0.00 -1.26 -4.27 105.19 105.37 1veh n GLY 45 Ca -0.14 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1veh n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1veh n ILE 46 N 0.00 -0.06 -2.54 -0.61 2.08 0.07 -2.32 119.36 115.98 1veh n ILE 46 Ca 0.00 -0.56 -0.42 0.00 0.56 0.00 0.00 62.75 62.33 1veh n ILE 46 Cb 0.00 -2.12 -0.03 0.00 -0.75 0.00 0.00 39.64 36.74 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1veh s VAL 47 N 11.22 4.31 -0.51 1.39 1.01 -1.10 -3.46 120.40 133.27 1veh s VAL 47 Ca 1.09 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 64.55 1veh s VAL 47 Cb -0.50 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 31.82 1veh s VAL 47 CO 0.33 0.16 0.86 -0.13 0.00 0.00 0.00 175.10 176.32 1veh s ARG 48 N 0.81 3.35 -0.10 2.72 0.52 -0.62 -2.95 118.95 122.68 1veh s ARG 48 Ca 0.55 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 1veh s ARG 48 Cb -0.26 -4.01 -0.02 0.00 0.52 0.00 0.00 34.95 31.17 1veh s ARG 48 CO 0.30 -1.33 -0.11 -0.51 0.02 0.00 0.00 175.30 173.67 1veh s LEU 49 N 3.60 2.89 -1.18 2.53 2.01 -0.42 0.62 118.68 128.74 1veh s LEU 49 Ca 0.29 -0.20 -0.06 0.00 0.01 0.00 0.00 54.13 54.17 1veh s LEU 49 Cb -0.13 -1.63 0.24 0.00 0.01 0.00 0.00 46.19 44.68 1veh s LEU 49 CO 0.20 0.26 1.72 1.17 1.01 0.00 0.00 176.35 180.71 1veh n LYS 50 N 2.90 4.19 -2.53 1.70 4.81 -0.46 0.13 118.16 128.91 1veh n LYS 50 Ca -0.18 -4.07 -0.42 0.00 -0.87 0.00 0.00 58.31 52.77 1veh n LYS 50 Cb 0.53 -2.69 -0.03 0.00 0.02 0.00 0.00 35.03 32.86 1veh n LYS 50 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1veh s LEU 51 N -1.74 4.26 -0.26 3.14 2.96 -1.19 -4.00 118.68 121.85 1veh s LEU 51 Ca 0.36 1.71 -0.08 0.00 -0.22 0.00 0.00 54.13 55.91 1veh s LEU 51 Cb 0.08 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.34 1veh s LEU 51 CO 0.04 -0.56 0.56 -1.58 -1.32 0.00 0.00 176.35 173.49 1veh s GLN 52 N 2.24 0.48 0.00 1.98 0.74 -1.22 -4.87 119.66 119.01 1veh s GLN 52 Ca 0.53 1.25 0.00 0.00 0.05 0.00 0.00 55.36 57.20 1veh s GLN 52 Cb -0.22 0.62 0.00 0.00 1.10 0.00 0.00 33.01 34.51 1veh s GLN 52 CO 0.20 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 1veh n GLY 53 N 5.43 3.17 0.01 2.59 0.00 -1.24 -2.40 105.19 112.74 1veh n GLY 53 Ca -0.10 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1veh n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1veh n SER 54 N 0.00 0.65 -2.31 1.61 2.88 -1.15 -4.29 113.62 111.02 1veh n SER 54 Ca 0.00 -0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 56.88 1veh n SER 54 Cb 0.00 1.58 0.06 0.00 -0.75 0.00 0.00 64.21 65.10 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh n THR 56 N -0.83 0.00 0.15 0.00 5.66 -1.26 -4.52 114.28 113.48 1veh n THR 56 Ca 0.57 -0.41 0.07 0.00 -3.05 0.00 0.00 64.05 61.24 1veh n THR 56 Cb 0.70 1.16 0.24 0.00 -1.55 0.00 0.00 70.33 70.88 1veh n THR 56 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1veh n SER 57 N -0.12 3.23 -4.02 1.09 2.88 -1.26 -4.83 113.62 110.60 1veh n SER 57 Ca 0.00 -2.20 -0.20 0.00 -1.33 0.00 0.00 58.87 55.14 1veh n SER 57 Cb 0.04 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 62.91 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh h PRO 59 N 6.20 0.40 0.00 0.00 0.13 -1.95 -3.13 132.00 133.65 1veh h PRO 59 Ca -0.32 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1veh h PRO 59 Cb 1.17 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1veh h PRO 59 CO 0.49 1.05 0.00 0.43 -0.23 0.00 0.00 178.00 179.74 1veh n SER 60 N -3.78 0.00 -0.37 1.44 7.64 -1.26 0.19 113.62 117.48 1veh n SER 60 Ca -0.06 0.93 0.34 0.00 1.01 0.00 0.00 58.87 61.09 1veh n SER 60 Cb 0.78 -0.49 0.59 0.00 -1.01 0.00 0.00 64.21 64.09 1veh n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1veh n SER 61 N -1.96 0.27 -0.02 6.43 7.64 -1.26 0.19 113.62 124.92 1veh n SER 61 Ca 0.00 1.44 -0.12 0.00 1.01 0.00 0.00 58.87 61.21 1veh n SER 61 Cb 0.00 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1veh n SER 61 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1veh h ILE 62 N 0.00 1.25 0.00 0.44 2.04 -1.45 -0.11 117.51 119.68 1veh h ILE 62 Ca 0.81 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1veh h ILE 62 Cb 2.36 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 40.66 1veh h ILE 62 CO -0.60 0.37 0.00 0.40 0.00 0.00 0.00 178.15 178.32 1veh h ILE 63 N -0.85 0.00 0.00 -0.67 2.04 1.02 1.57 117.51 120.62 1veh h ILE 63 Ca -0.01 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 1veh h ILE 63 Cb 0.65 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1veh h ILE 63 CO 0.01 0.00 -1.07 0.74 0.00 0.00 0.00 178.15 177.84 1veh h THR 64 N 0.00 0.76 0.00 -0.27 2.02 0.22 -3.34 112.91 112.30 1veh h THR 64 Ca 0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1veh h THR 64 Cb 0.01 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1veh h THR 64 CO 0.00 0.26 -0.30 0.18 0.37 0.00 0.00 175.52 176.03 1veh n LEU 65 N -4.48 0.98 -0.29 2.58 4.32 -0.06 -2.67 117.00 117.38 1veh n LEU 65 Ca -0.26 0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 56.08 1veh n LEU 65 Cb 0.59 -0.69 -0.07 0.00 -1.62 0.00 0.00 43.42 41.63 1veh n LEU 65 CO 0.17 -0.48 0.47 1.17 -1.22 0.00 0.00 177.39 177.51 1veh n LYS 66 N -3.53 -0.30 0.47 3.23 0.00 0.52 0.14 118.16 118.69 1veh n LYS 66 Ca -0.04 1.32 -0.20 0.00 0.00 0.00 0.00 58.31 59.39 1veh n LYS 66 Cb 0.15 -1.96 -0.10 0.00 0.00 0.00 0.00 35.03 33.13 1veh n LYS 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1veh h SER 67 N 0.00 -1.19 -0.98 3.14 0.02 -1.13 -1.31 113.55 112.09 1veh h SER 67 Ca 0.11 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.27 1veh h SER 67 Cb 0.28 0.33 -0.16 0.00 0.14 0.00 0.00 62.40 62.99 1veh h SER 67 CO -0.64 -0.77 -0.36 0.61 -1.14 0.00 0.00 176.83 174.52 1veh n GLY 68 N -1.64 -1.96 0.33 -3.77 0.00 -0.52 0.11 105.19 97.74 1veh n GLY 68 Ca -0.15 1.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.82 1veh n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1veh h ILE 69 N 0.00 0.34 -0.96 -0.61 2.04 0.14 -2.35 117.51 116.11 1veh h ILE 69 Ca 0.35 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.35 1veh h ILE 69 Cb 0.60 0.34 -0.15 0.00 -0.74 0.00 0.00 36.82 36.87 1veh h ILE 69 CO -0.97 0.00 -0.40 1.67 0.00 0.00 0.00 178.15 178.44 1veh n GLN 70 N -5.41 -0.25 -0.11 2.37 7.27 0.12 0.51 117.38 121.87 1veh n GLN 70 Ca -0.07 1.48 -0.09 0.00 0.07 0.00 0.00 57.00 58.39 1veh n GLN 70 Cb 0.32 -2.19 -0.03 0.00 2.41 0.00 0.00 30.24 30.75 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1veh h ASN 71 N 0.00 -1.19 -0.16 1.69 -1.24 -0.75 0.18 115.58 114.10 1veh h ASN 71 Ca 0.31 0.20 0.05 0.00 0.71 0.00 0.00 56.30 57.57 1veh h ASN 71 Cb 0.55 0.54 -0.06 0.00 0.73 0.00 0.00 38.32 40.08 1veh h ASN 71 CO -0.95 -0.34 -0.20 -0.03 -1.29 0.00 0.00 177.43 174.61 1veh h MET 72 N -0.29 -0.24 0.02 6.67 4.05 0.41 0.66 114.93 126.21 1veh h MET 72 Ca 0.16 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1veh h MET 72 Cb 0.56 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 1veh h MET 72 CO -0.54 -0.16 -0.21 1.25 0.23 0.00 0.00 176.91 177.49 1veh h LEU 73 N -0.24 -0.64 -0.37 3.39 5.85 0.63 0.20 115.31 124.12 1veh h LEU 73 Ca 0.11 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1veh h LEU 73 Cb 0.41 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1veh h LEU 73 CO -0.30 -0.21 -0.26 1.56 -0.34 0.00 0.00 178.44 178.88 1veh h GLN 74 N -0.27 -0.20 -0.50 1.25 7.50 -0.50 1.59 115.11 123.98 1veh h GLN 74 Ca 0.00 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.22 1veh h GLN 74 Cb 0.29 0.05 -0.09 0.00 0.05 0.00 0.00 27.48 27.78 1veh h GLN 74 CO -0.13 -0.13 -0.55 0.35 -1.50 0.00 0.00 178.83 176.87 1veh h PHE 75 N -0.21 -1.69 0.39 2.96 3.04 0.81 -2.75 116.94 119.50 1veh h PHE 75 Ca 0.18 0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1veh h PHE 75 Cb 0.49 0.80 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1veh h PHE 75 CO -0.47 -0.45 -0.19 1.88 -2.02 0.00 0.00 178.31 177.06 1veh h TYR 76 N -0.32 -0.48 -3.54 0.41 0.05 0.06 -3.40 116.97 109.74 1veh h TYR 76 Ca 0.08 -0.01 -0.71 0.00 0.05 0.00 0.00 58.73 58.14 1veh h TYR 76 Cb 0.54 0.16 -0.21 0.00 1.01 0.00 0.00 36.73 38.24 1veh h TYR 76 CO -0.78 -0.15 -0.44 0.42 -1.05 0.00 0.00 178.16 176.16 1veh s ILE 77 N -4.50 5.23 -0.84 -2.88 -1.09 0.54 -4.92 121.20 112.75 1veh s ILE 77 Ca -0.14 -0.60 0.23 0.00 -2.23 0.00 0.00 60.65 57.92 1veh s ILE 77 Cb 0.02 -3.88 0.22 0.00 -1.58 0.00 0.00 42.46 37.24 1veh s ILE 77 CO 0.49 -0.26 1.72 -0.81 -1.23 0.00 0.00 174.94 174.86 1veh n PRO 78 N 5.14 0.09 0.04 2.79 -0.04 -1.13 -3.58 135.00 138.32 1veh n PRO 78 Ca -0.11 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1veh n PRO 78 Cb 0.47 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1veh n PRO 78 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1veh h GLU 79 N 0.00 -0.10 -6.51 0.54 4.39 -1.91 -3.44 114.58 107.54 1veh h GLU 79 Ca 0.00 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 59.17 1veh h GLU 79 Cb 0.45 0.02 0.22 0.00 -0.10 0.00 0.00 28.75 29.35 1veh h GLU 79 CO 0.00 -0.07 -1.03 1.55 -1.16 0.00 0.00 179.01 178.30 1veh n VAL 80 N -2.31 0.00 0.00 3.13 3.14 -1.25 -4.37 118.33 116.68 1veh n VAL 80 Ca -0.01 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1veh n VAL 80 Cb 0.04 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1veh n VAL 80 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1veh n GLU 81 N -0.25 0.00 0.00 1.45 1.02 -0.98 -4.81 120.64 117.07 1veh n GLU 81 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1veh n GLU 81 Cb 0.54 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1veh n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1veh n GLY 82 N 2.76 4.72 3.15 0.62 0.00 -1.26 -4.89 105.19 110.28 1veh n GLY 82 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1veh n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1veh s VAL 83 N -1.24 0.12 -0.18 1.61 1.01 -1.26 -2.70 120.40 117.76 1veh s VAL 83 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1veh s VAL 83 Cb 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.56 1veh s VAL 83 CO 0.00 -0.53 0.44 -0.70 0.00 0.00 0.00 175.10 174.31 1veh s GLU 84 N -2.51 0.45 -1.28 2.72 -6.30 -1.15 -4.95 118.70 105.67 1veh s GLU 84 Ca -0.06 0.78 -0.19 0.00 -2.50 0.00 0.00 54.97 53.01 1veh s GLU 84 Cb -0.01 0.05 0.04 0.00 0.00 0.00 0.00 34.13 34.20 1veh s GLU 84 CO -0.04 -0.14 1.80 0.94 0.02 0.00 0.00 175.26 177.84 1veh n GLN 85 N 3.93 2.88 -1.70 4.30 0.00 -1.24 -1.30 117.38 124.26 1veh n GLN 85 Ca -0.21 -3.09 -0.37 0.00 -0.00 0.00 0.00 57.00 53.33 1veh n GLN 85 Cb 0.56 -3.53 -0.03 0.00 0.00 0.00 0.00 30.24 27.24 1veh n GLN 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1veh s VAL 86 N 5.46 3.11 0.44 1.69 -7.23 0.36 -4.78 120.40 119.45 1veh s VAL 86 Ca 0.56 0.07 -0.23 0.00 -1.81 0.00 0.00 61.98 60.57 1veh s VAL 86 Cb 0.04 -3.27 -0.08 0.00 0.56 0.00 0.00 36.38 33.63 1veh s VAL 86 CO 0.08 -0.25 1.13 -0.44 -0.31 0.00 0.00 175.10 175.31 1veh s SER 87 N 10.67 6.34 0.08 4.85 0.01 -1.26 -3.97 113.70 130.42 1veh s SER 87 Ca 0.90 2.22 0.00 0.00 1.31 0.00 0.00 55.95 60.38 1veh s SER 87 Cb -0.17 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 1veh s SER 87 CO 0.26 -0.79 0.01 0.61 0.41 0.00 0.00 173.24 173.74 1veh n GLY 88 N 0.40 4.02 3.56 3.44 0.00 -1.26 -5.05 105.19 110.30 1veh n GLY 88 Ca 0.07 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1veh n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1veh s PRO 89 N -2.29 3.11 0.03 1.61 0.04 -1.26 -4.87 135.00 131.38 1veh s PRO 89 Ca 0.02 -0.84 -0.27 0.00 0.04 0.00 0.00 61.00 59.95 1veh s PRO 89 Cb 0.00 -5.24 0.08 0.00 0.04 0.00 0.00 34.50 29.38 1veh s PRO 89 CO 0.01 -2.82 0.69 -1.12 0.04 0.00 0.00 177.00 173.80 1veh s SER 90 N 6.31 -0.57 0.03 6.66 0.01 -1.26 -5.18 113.70 119.70 1veh s SER 90 Ca 0.58 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 58.15 1veh s SER 90 Cb -0.03 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 1veh s SER 90 CO -0.03 -0.74 0.02 -0.94 0.41 0.00 0.00 173.24 171.96 1veh s SER 91 N -1.95 0.25 0.00 2.44 1.04 -1.26 -5.21 113.70 109.02 1veh s SER 91 Ca -0.04 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1veh s SER 91 Cb -0.01 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1veh s SER 91 CO -0.02 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.39