#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 -0.15 -0.66 1.61 0.15 -1.26 -5.11 113.70 108.28 1veh s SER 2 Ca 0.00 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 1veh s SER 2 Cb 0.00 1.13 0.17 0.00 -1.71 0.00 0.00 66.02 65.61 1veh s SER 2 CO 0.00 -0.03 0.52 -0.55 1.20 0.00 0.00 173.24 174.38 1veh s SER 3 N 2.84 5.81 -0.69 5.45 0.15 -1.26 -4.77 113.70 121.23 1veh s SER 3 Ca -0.07 -2.61 -0.09 0.00 0.70 0.00 0.00 55.95 53.88 1veh s SER 3 Cb -0.08 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1veh s SER 3 CO -0.09 -0.50 0.64 0.61 1.20 0.00 0.00 173.24 175.10 1veh n GLY 4 N 3.93 -1.04 0.20 9.45 0.00 -1.26 -4.93 105.19 111.53 1veh n GLY 4 Ca 0.07 0.74 -0.09 0.00 0.00 0.00 0.00 46.02 46.74 1veh n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1veh h SER 5 N 0.58 -0.35 -0.37 1.61 0.87 -2.00 -3.47 113.55 110.42 1veh h SER 5 Ca -0.38 -0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.27 1veh h SER 5 Cb 1.25 0.09 -0.19 0.00 -0.44 0.00 0.00 62.40 63.11 1veh h SER 5 CO 0.31 0.12 -0.07 -0.55 -0.53 0.00 0.00 176.83 176.11 1veh s SER 6 N -5.13 -0.61 -0.20 6.23 0.15 -1.26 -5.03 113.70 107.85 1veh s SER 6 Ca -0.09 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1veh s SER 6 Cb 0.01 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1veh s SER 6 CO 0.30 -0.11 0.20 0.61 1.20 0.00 0.00 173.24 175.43 1veh n GLY 7 N 5.16 -0.66 0.07 9.45 0.00 -1.26 -5.03 105.19 112.92 1veh n GLY 7 Ca 0.08 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 0.26 0.00 -1.39 1.61 0.02 -1.96 -3.47 113.55 108.62 1veh h SER 8 Ca 0.00 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1veh h SER 8 Cb 0.82 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.11 1veh h SER 8 CO 0.08 0.73 -0.43 -0.70 -1.14 0.00 0.00 176.83 175.38 1veh s GLU 9 N -2.09 0.48 0.23 3.45 2.12 -1.26 -5.15 118.70 116.47 1veh s GLU 9 Ca -0.12 0.50 -0.18 0.00 0.36 0.00 0.00 54.97 55.53 1veh s GLU 9 Cb 0.02 0.00 -0.08 0.00 0.26 0.00 0.00 34.13 34.33 1veh s GLU 9 CO 0.19 -0.89 0.70 -1.83 -0.54 0.00 0.00 175.26 172.89 1veh s GLU 10 N 2.69 4.17 0.49 4.30 -1.05 -1.26 -5.05 118.70 122.98 1veh s GLU 10 Ca 0.13 0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 55.52 1veh s GLU 10 Cb -0.13 -2.81 -0.08 0.00 -0.44 0.00 0.00 34.13 30.66 1veh s GLU 10 CO -0.25 0.37 1.03 0.16 0.95 0.00 0.00 175.26 177.53 1veh s ASP 11 N -1.77 6.36 0.00 0.83 -4.77 -1.26 -5.06 116.67 111.00 1veh s ASP 11 Ca 0.44 1.91 0.00 0.00 -3.30 0.00 0.00 52.55 51.60 1veh s ASP 11 Cb -0.15 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1veh s ASP 11 CO 0.20 -0.77 0.00 -0.67 0.70 0.00 0.00 175.17 174.64 1veh n ASP 12 N -0.98 0.30 0.12 2.11 2.03 -1.26 -4.99 116.55 113.88 1veh n ASP 12 Ca 0.09 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.52 1veh n ASP 12 Cb 0.53 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.00 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1veh h GLU 13 N 0.00 0.00 0.09 -0.67 5.08 -2.00 -3.26 114.58 113.82 1veh h GLU 13 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1veh h GLU 13 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1veh h GLU 13 CO 0.00 0.00 -1.24 -0.24 -1.00 0.00 0.00 179.01 176.53 1veh h VAL 14 N 0.00 1.48 0.85 3.13 3.04 -2.00 -3.22 116.25 119.53 1veh h VAL 14 Ca 0.00 -3.11 -0.04 0.00 -1.01 0.00 0.00 66.70 62.54 1veh h VAL 14 Cb 0.95 2.87 0.01 0.00 -2.01 0.00 0.00 31.29 33.11 1veh h VAL 14 CO 0.00 0.89 -0.41 0.58 -1.01 0.00 0.00 177.57 177.62 1veh h VAL 15 N 0.05 0.01 -1.33 1.51 2.07 -1.95 -2.08 116.25 114.53 1veh h VAL 15 Ca -0.12 -0.16 0.39 0.00 0.82 0.00 0.00 66.70 67.62 1veh h VAL 15 Cb 1.93 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1veh h VAL 15 CO 0.17 0.00 0.98 0.00 0.02 0.00 0.00 177.57 178.75 1veh h ALA 16 N -1.29 3.25 0.50 1.67 0.00 -1.69 0.41 119.26 122.11 1veh h ALA 16 Ca -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1veh h ALA 16 Cb 0.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1veh h ALA 16 CO 0.19 -1.67 -0.24 1.98 0.00 0.00 0.00 179.25 179.52 1veh h MET 17 N 0.00 -0.65 -0.96 0.00 4.05 -1.42 -2.93 114.93 113.02 1veh h MET 17 Ca 0.63 0.04 0.23 0.00 -0.28 0.00 0.00 59.70 60.32 1veh h MET 17 Cb 2.59 0.15 -0.12 0.00 -0.80 0.00 0.00 31.60 33.41 1veh h MET 17 CO -0.01 -0.43 0.53 0.82 0.23 0.00 0.00 176.91 178.05 1veh h ILE 18 N -0.92 0.54 -0.53 1.77 2.04 -0.33 0.25 117.51 120.32 1veh h ILE 18 Ca -0.07 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 65.71 1veh h ILE 18 Cb 0.51 -0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1veh h ILE 18 CO 0.11 0.10 -0.17 0.11 0.00 0.00 0.00 178.15 178.30 1veh h LYS 19 N 0.55 -0.04 0.37 2.37 1.57 -1.12 0.71 116.57 120.97 1veh h LYS 19 Ca 0.61 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.38 1veh h LYS 19 Cb 1.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1veh h LYS 19 CO -0.48 -0.03 -0.31 1.49 -0.57 0.00 0.00 179.45 179.56 1veh h GLU 20 N -0.05 -0.64 -0.16 3.15 4.81 -0.32 0.27 114.58 121.64 1veh h GLU 20 Ca 0.25 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1veh h GLU 20 Cb 0.44 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1veh h GLU 20 CO -0.57 -0.43 0.45 1.25 -0.73 0.00 0.00 179.01 178.98 1veh h LEU 21 N -0.66 0.00 0.00 1.64 6.46 -1.02 2.11 115.31 123.85 1veh h LEU 21 Ca -0.05 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.50 1veh h LEU 21 Cb 0.56 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1veh h LEU 21 CO -0.00 0.00 -1.03 -0.07 -0.62 0.00 0.00 178.44 176.72 1veh h LEU 22 N 0.00 0.00 0.12 2.25 -0.00 0.21 -3.33 115.31 114.57 1veh h LEU 22 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.59 1veh h LEU 22 Cb 0.98 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 1veh h LEU 22 CO -0.00 0.99 -2.00 0.47 -0.00 0.00 0.00 178.44 177.90 1veh n ASP 23 N -3.33 2.08 0.00 -0.43 9.92 0.58 0.78 116.55 126.16 1veh n ASP 23 Ca -0.01 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1veh n ASP 23 Cb 0.94 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 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 -3.46 0.00 -2.77 -3.53 -2.24 0.57 -4.21 114.28 98.64 1veh n THR 24 Ca -0.32 0.48 -0.03 0.00 -2.27 0.00 0.00 64.05 61.92 1veh n THR 24 Cb 1.05 -0.81 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1veh n THR 24 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1veh n ARG 25 N -0.37 1.51 -0.02 -0.78 1.85 -1.26 -4.77 116.66 112.82 1veh n ARG 25 Ca 0.00 -3.13 -0.05 0.00 -1.00 0.00 0.00 57.85 53.67 1veh n ARG 25 Cb 0.00 -1.23 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1veh n ILE 26 N -0.56 0.45 -0.03 8.89 5.41 -1.23 -4.32 119.36 127.98 1veh n ILE 26 Ca 0.04 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.64 1veh n ILE 26 Cb 0.82 -1.60 -0.12 0.00 -0.71 0.00 0.00 39.64 38.03 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 -0.19 0.14 0.00 0.38 2.43 0.15 -2.28 114.38 115.00 1veh h ARG 27 Ca -0.11 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1veh h ARG 27 Cb 0.97 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1veh h ARG 27 CO -0.07 0.95 0.00 -0.35 -1.51 0.00 0.00 179.97 178.99 1veh n PRO 28 N -4.51 0.52 -0.09 0.20 -0.04 -1.26 -2.77 135.00 127.05 1veh n PRO 28 Ca -0.10 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 1veh n PRO 28 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.16 1.53 -0.10 0.52 -1.04 -1.21 -4.31 114.28 108.51 1veh n THR 29 Ca 0.14 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.36 1veh n THR 29 Cb 0.14 -1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 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 0.01 1.22 -0.82 12.58 2.07 -1.23 -3.07 116.25 127.02 1veh h VAL 30 Ca -0.51 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.39 1veh h VAL 30 Cb 2.03 1.12 -0.13 0.00 -1.52 0.00 0.00 31.29 32.79 1veh h VAL 30 CO -0.01 0.24 -0.43 1.56 0.02 0.00 0.00 177.57 178.96 1veh h GLN 31 N 0.33 -0.09 -1.24 1.57 4.20 -1.62 1.48 115.11 119.73 1veh h GLN 31 Ca 0.09 0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.17 1veh h GLN 31 Cb 0.30 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 1veh h GLN 31 CO 0.00 -0.06 0.85 1.49 -0.67 0.00 0.00 178.83 180.44 1veh h GLU 32 N -0.09 0.15 0.09 1.46 4.81 -1.72 -1.50 114.58 117.77 1veh h GLU 32 Ca 0.25 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1veh h GLU 32 Cb 0.55 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1veh h GLU 32 CO -0.85 0.10 -0.04 0.22 -0.73 0.00 0.00 179.01 177.70 1veh h ASP 33 N 0.15 -0.10 0.00 1.04 1.82 0.19 -3.49 116.42 116.03 1veh h ASP 33 Ca 0.67 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1veh h ASP 33 Cb 2.23 0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.26 1veh h ASP 33 CO -0.20 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 178.15 1veh n GLY 34 N 1.27 -0.84 0.00 -0.78 0.00 0.01 -4.88 105.19 99.97 1veh n GLY 34 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.56 3.64 -0.02 0.00 -1.24 -3.77 105.19 103.25 1veh n GLY 35 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 -0.96 -0.14 1.61 -1.08 -1.26 -3.77 116.67 107.06 1veh s ASP 36 Ca 0.00 1.48 -0.19 0.00 -0.52 0.00 0.00 52.55 53.31 1veh s ASP 36 Cb 0.00 1.60 -0.04 0.00 -1.46 0.00 0.00 42.92 43.03 1veh s ASP 36 CO 0.00 -0.23 0.54 0.54 0.52 0.00 0.00 175.17 176.55 1veh s VAL 37 N 1.94 5.12 -0.22 1.11 0.11 -1.26 -3.47 120.40 123.73 1veh s VAL 37 Ca -0.09 1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 60.00 1veh s VAL 37 Cb -0.07 -3.88 0.07 0.00 -1.53 0.00 0.00 36.38 30.98 1veh s VAL 37 CO -0.19 0.24 0.04 -0.63 -3.33 0.00 0.00 175.10 171.23 1veh s ILE 38 N 1.10 0.68 -0.56 7.04 1.09 -1.26 -4.88 121.20 124.42 1veh s ILE 38 Ca 0.28 -0.79 -0.28 0.00 -1.10 0.00 0.00 60.65 58.76 1veh s ILE 38 Cb -0.16 -1.23 0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1veh s ILE 38 CO 0.11 -0.30 1.44 -0.47 -0.10 0.00 0.00 174.94 175.62 1veh s TYR 39 N 1.77 2.25 -0.42 3.97 5.04 -1.25 -0.85 117.35 127.86 1veh s TYR 39 Ca 0.01 0.47 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 1veh s TYR 39 Cb -0.17 -4.38 0.13 0.00 0.35 0.00 0.00 41.96 37.88 1veh s TYR 39 CO -0.12 -2.01 0.20 1.03 -1.34 0.00 0.00 175.55 173.31 1veh s ARG 40 N 5.57 1.28 0.00 4.97 1.81 0.39 -4.98 118.95 127.99 1veh s ARG 40 Ca 0.53 -1.90 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 1veh s ARG 40 Cb -0.11 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 1veh s ARG 40 CO 0.25 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.17 1veh n GLY 41 N 3.77 2.48 2.71 -3.53 0.00 -1.26 -4.50 105.19 104.86 1veh n GLY 41 Ca 0.06 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.34 -0.12 0.02 1.61 2.19 -1.26 -0.26 117.98 119.82 1veh s PHE 42 Ca 0.00 0.07 -0.02 0.00 0.33 0.00 0.00 56.93 57.30 1veh s PHE 42 Cb 0.00 -0.46 -0.02 0.00 -1.31 0.00 0.00 43.02 41.23 1veh s PHE 42 CO 0.00 -0.56 0.03 -1.21 1.83 0.00 0.00 175.22 175.31 1veh s GLU 43 N 2.27 0.42 -0.42 10.12 0.41 -1.16 -4.81 118.70 125.52 1veh s GLU 43 Ca 0.05 -0.64 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 1veh s GLU 43 Cb -0.16 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.35 1veh s GLU 43 CO -0.11 -0.08 0.00 -3.47 -0.49 0.00 0.00 175.26 171.11 1veh n ASP 44 N 1.31 -1.74 0.00 -0.19 -0.08 -1.26 0.49 116.55 115.07 1veh n ASP 44 Ca -0.22 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1veh n ASP 44 Cb 0.56 -1.70 0.00 0.00 2.34 0.00 0.00 41.12 42.32 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 45 N -0.42 1.57 3.52 0.27 0.00 -1.26 -4.40 105.19 104.47 1veh n GLY 45 Ca -0.05 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 -2.63 -0.61 2.08 0.18 -3.45 119.36 114.90 1veh n ILE 46 Ca 0.00 -0.37 -0.42 0.00 0.56 0.00 0.00 62.75 62.52 1veh n ILE 46 Cb 0.00 -1.59 -0.03 0.00 -0.75 0.00 0.00 39.64 37.27 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 10.36 4.59 -0.48 1.39 1.01 -0.61 -3.01 120.40 133.66 1veh s VAL 47 Ca 1.18 1.88 -0.23 0.00 0.00 0.00 0.00 61.98 64.81 1veh s VAL 47 Cb -0.76 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 31.45 1veh s VAL 47 CO 0.39 0.16 0.80 -0.13 0.00 0.00 0.00 175.10 176.32 1veh s ARG 48 N 0.94 3.35 -0.04 2.72 0.52 0.64 -1.97 118.95 125.12 1veh s ARG 48 Ca 0.54 -0.24 0.06 0.00 -0.52 0.00 0.00 55.73 55.57 1veh s ARG 48 Cb -0.24 -3.98 -0.02 0.00 0.52 0.00 0.00 34.95 31.23 1veh s ARG 48 CO 0.29 -1.21 -0.22 -0.51 0.02 0.00 0.00 175.30 173.67 1veh s LEU 49 N 3.36 2.29 -0.98 2.53 2.01 -0.09 0.15 118.68 127.94 1veh s LEU 49 Ca 0.28 -0.39 -0.01 0.00 0.01 0.00 0.00 54.13 54.02 1veh s LEU 49 Cb -0.13 -1.42 0.31 0.00 0.01 0.00 0.00 46.19 44.96 1veh s LEU 49 CO 0.21 0.31 1.53 1.17 1.01 0.00 0.00 176.35 180.57 1veh n LYS 50 N 2.54 4.64 -3.82 1.70 4.81 -0.03 0.19 118.16 128.19 1veh n LYS 50 Ca -0.17 -4.64 -0.26 0.00 -0.87 0.00 0.00 58.31 52.37 1veh n LYS 50 Cb 0.52 -2.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.09 1veh n LYS 50 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1veh s LEU 51 N -3.48 4.28 0.11 3.14 -0.00 -1.23 -3.98 118.68 117.52 1veh s LEU 51 Ca 0.37 0.26 -0.13 0.00 -0.00 0.00 0.00 54.13 54.63 1veh s LEU 51 Cb 0.14 -3.03 0.02 0.00 -0.00 0.00 0.00 46.19 43.32 1veh s LEU 51 CO -0.02 -0.02 0.31 -1.58 -0.00 0.00 0.00 176.35 175.04 1veh s GLN 52 N -3.41 0.98 0.25 1.48 0.74 -1.26 -4.82 119.66 113.62 1veh s GLN 52 Ca 0.36 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.98 1veh s GLN 52 Cb -0.11 0.42 -0.01 0.00 1.10 0.00 0.00 33.01 34.41 1veh s GLN 52 CO 0.29 -0.36 0.27 0.41 -0.55 0.00 0.00 175.29 175.35 1veh n GLY 53 N -0.16 2.91 0.23 2.59 0.00 -1.25 -3.59 105.19 105.93 1veh n GLY 53 Ca -0.15 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 1veh n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 54 N 1.52 0.68 -1.66 1.61 0.02 -1.90 -3.42 113.55 110.40 1veh h SER 54 Ca -0.19 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1veh h SER 54 Cb 0.90 -0.17 -0.26 0.00 0.14 0.00 0.00 62.40 63.00 1veh h SER 54 CO 0.26 0.58 -0.38 0.00 -1.14 0.00 0.00 176.83 176.15 1veh n THR 56 N 5.39 3.10 -0.00 0.00 -1.04 -1.26 -4.46 114.28 116.01 1veh n THR 56 Ca -0.04 -2.87 -0.21 0.00 -2.04 0.00 0.00 64.05 58.90 1veh n THR 56 Cb 0.50 -0.79 -0.14 0.00 -1.82 0.00 0.00 70.33 68.08 1veh n THR 56 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1veh n SER 57 N -0.99 2.12 -4.67 8.00 7.64 -1.26 -4.87 113.62 119.59 1veh n SER 57 Ca 0.52 0.19 -0.47 0.00 1.01 0.00 0.00 58.87 60.12 1veh n SER 57 Cb 1.05 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh h PRO 59 N 9.62 0.21 0.00 0.00 0.13 -1.98 -2.96 132.00 137.01 1veh h PRO 59 Ca -0.48 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1veh h PRO 59 Cb 1.27 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1veh h PRO 59 CO 0.95 0.91 0.00 0.43 -0.23 0.00 0.00 178.00 180.06 1veh n SER 60 N -4.49 0.00 -0.35 1.44 7.64 -1.26 0.19 113.62 116.78 1veh n SER 60 Ca -0.09 0.95 0.31 0.00 1.01 0.00 0.00 58.87 61.05 1veh n SER 60 Cb 0.50 -0.45 0.58 0.00 -1.01 0.00 0.00 64.21 63.83 1veh n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1veh h SER 61 N 0.00 0.35 0.21 6.43 0.87 -1.98 0.83 113.55 120.26 1veh h SER 61 Ca 0.00 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1veh h SER 61 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1veh h SER 61 CO 0.00 -0.31 -0.10 0.40 -0.53 0.00 0.00 176.83 176.29 1veh h ILE 62 N 0.10 0.85 0.00 2.23 2.04 -1.13 0.30 117.51 121.90 1veh h ILE 62 Ca 0.82 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1veh h ILE 62 Cb 2.20 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1veh h ILE 62 CO -0.65 0.16 0.05 0.40 0.00 0.00 0.00 178.15 178.11 1veh h ILE 63 N -0.70 0.00 0.02 -0.67 2.04 0.82 1.63 117.51 120.64 1veh h ILE 63 Ca -0.03 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.59 1veh h ILE 63 Cb 0.49 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1veh h ILE 63 CO 0.05 0.00 -1.33 0.74 0.00 0.00 0.00 178.15 177.61 1veh h THR 64 N 0.00 0.90 0.00 -0.27 2.02 0.56 -3.34 112.91 112.78 1veh h THR 64 Ca 0.00 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1veh h THR 64 Cb 0.10 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1veh h THR 64 CO 0.00 0.41 -0.23 0.18 0.37 0.00 0.00 175.52 176.25 1veh n LEU 65 N -4.30 0.71 -0.32 2.58 4.77 0.10 -2.56 117.00 117.97 1veh n LEU 65 Ca -0.31 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1veh n LEU 65 Cb 0.73 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1veh n LEU 65 CO 0.23 -0.48 0.47 1.17 -1.33 0.00 0.00 177.39 177.45 1veh n LYS 66 N -3.18 -0.34 0.11 3.23 4.81 0.54 0.16 118.16 123.49 1veh n LYS 66 Ca -0.03 1.36 -0.13 0.00 -0.87 0.00 0.00 58.31 58.63 1veh n LYS 66 Cb 0.12 -2.00 -0.08 0.00 0.02 0.00 0.00 35.03 33.09 1veh n LYS 66 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1veh h SER 67 N 0.00 -0.17 -0.31 3.14 0.87 -1.35 0.75 113.55 116.47 1veh h SER 67 Ca 0.12 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1veh h SER 67 Cb 0.32 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1veh h SER 67 CO -0.72 -0.09 -0.49 1.23 -0.53 0.00 0.00 176.83 176.22 1veh h GLY 68 N -0.24 -1.13 0.63 5.77 0.00 -0.54 0.83 103.07 108.38 1veh h GLY 68 Ca -0.02 0.72 0.07 0.00 0.00 0.00 0.00 47.33 48.10 1veh h GLY 68 CO 0.03 -0.20 0.43 -2.22 0.00 0.00 0.00 176.54 174.58 1veh h ILE 69 N -0.39 0.95 -0.47 2.60 2.04 0.16 -1.16 117.51 121.25 1veh h ILE 69 Ca 0.06 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1veh h ILE 69 Cb 0.54 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1veh h ILE 69 CO -0.50 0.14 0.18 -0.61 0.00 0.00 0.00 178.15 177.35 1veh h GLN 70 N 0.76 0.34 0.28 2.37 4.15 0.12 -2.35 115.11 120.79 1veh h GLN 70 Ca 0.34 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1veh h GLN 70 Cb 0.25 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1veh h GLN 70 CO -0.21 0.23 -0.30 -0.97 -1.93 0.00 0.00 178.83 175.65 1veh h ASN 71 N 0.36 -0.83 -0.99 -0.69 -1.24 0.17 -1.74 115.58 110.62 1veh h ASN 71 Ca 0.22 0.08 0.36 0.00 0.71 0.00 0.00 56.30 57.67 1veh h ASN 71 Cb 0.22 0.29 -0.18 0.00 0.73 0.00 0.00 38.32 39.38 1veh h ASN 71 CO -0.22 -0.43 0.37 -0.03 -1.29 0.00 0.00 177.43 175.83 1veh h MET 72 N -0.62 0.04 0.85 6.67 4.05 -0.78 0.76 114.93 125.90 1veh h MET 72 Ca -0.01 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1veh h MET 72 Cb 0.58 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1veh h MET 72 CO -0.08 0.03 -0.41 -0.07 0.23 0.00 0.00 176.91 176.61 1veh h LEU 73 N 0.04 -0.97 -0.91 3.39 3.38 -0.94 -0.71 115.31 118.60 1veh h LEU 73 Ca 0.75 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.89 1veh h LEU 73 Cb 1.83 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.74 1veh h LEU 73 CO -0.80 -0.68 0.53 1.56 0.09 0.00 0.00 178.44 179.14 1veh h GLN 74 N -1.16 0.76 0.13 1.13 7.50 -0.20 1.21 115.11 124.47 1veh h GLN 74 Ca -0.12 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.01 1veh h GLN 74 Cb 0.87 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 28.19 1veh h GLN 74 CO 0.19 0.50 -0.33 0.35 -1.50 0.00 0.00 178.83 178.04 1veh h PHE 75 N 0.78 -0.91 0.22 2.96 3.04 0.58 -3.17 116.94 120.44 1veh h PHE 75 Ca 0.48 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.44 1veh h PHE 75 Cb 0.59 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.48 1veh h PHE 75 CO -0.05 -0.44 -0.11 1.88 -2.02 0.00 0.00 178.31 177.57 1veh h TYR 76 N -0.57 -0.28 -3.57 0.41 0.05 -0.33 -3.42 116.97 109.26 1veh h TYR 76 Ca 0.03 -0.01 -0.71 0.00 0.05 0.00 0.00 58.73 58.10 1veh h TYR 76 Cb 0.59 0.09 -0.21 0.00 1.01 0.00 0.00 36.73 38.21 1veh h TYR 76 CO -0.29 0.08 -0.46 0.42 -1.05 0.00 0.00 178.16 176.85 1veh s ILE 77 N -3.37 5.10 -1.43 -2.88 -1.09 0.41 -4.92 121.20 113.02 1veh s ILE 77 Ca -0.11 -0.58 0.23 0.00 -2.23 0.00 0.00 60.65 57.96 1veh s ILE 77 Cb 0.01 -3.78 0.40 0.00 -1.58 0.00 0.00 42.46 37.51 1veh s ILE 77 CO 0.40 -0.20 1.74 -0.81 -1.23 0.00 0.00 174.94 174.84 1veh n PRO 78 N 5.11 0.32 0.07 2.79 -0.04 -1.20 -3.59 135.00 138.46 1veh n PRO 78 Ca -0.12 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 1veh n PRO 78 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.19 -6.77 0.54 5.08 -1.91 -3.46 114.58 107.88 1veh h GLU 79 Ca 0.00 0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.86 1veh h GLU 79 Cb 0.21 0.04 0.22 0.00 0.50 0.00 0.00 28.75 29.72 1veh h GLU 79 CO 0.00 -0.12 -0.66 1.55 -1.00 0.00 0.00 179.01 178.77 1veh n VAL 80 N -3.07 0.00 0.00 3.13 3.14 -1.24 -4.50 118.33 115.79 1veh n VAL 80 Ca -0.02 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1veh n VAL 80 Cb 0.08 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 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 -1.78 0.00 -3.11 1.45 -0.58 -1.22 -4.70 120.64 110.70 1veh n GLU 81 Ca 0.06 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1veh n GLU 81 Cb 0.55 -0.29 -0.04 0.00 -0.57 0.00 0.00 31.44 31.09 1veh n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1veh n GLY 82 N 2.36 3.30 3.39 0.62 0.00 -1.26 -4.87 105.19 108.73 1veh n GLY 82 Ca 0.00 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 1veh n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1veh s VAL 83 N -2.70 1.57 -0.20 1.61 -7.23 -1.26 -1.57 120.40 110.62 1veh s VAL 83 Ca 0.20 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 1veh s VAL 83 Cb 0.01 -2.33 0.10 0.00 0.56 0.00 0.00 36.38 34.72 1veh s VAL 83 CO 0.14 -0.38 0.35 -0.70 -0.31 0.00 0.00 175.10 174.20 1veh s GLU 84 N -3.73 0.28 -1.12 4.82 -6.30 -0.83 -4.87 118.70 106.95 1veh s GLU 84 Ca 0.27 0.72 -0.21 0.00 -2.50 0.00 0.00 54.97 53.25 1veh s GLU 84 Cb 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 34.13 33.92 1veh s GLU 84 CO 0.10 -0.44 1.92 0.94 0.02 0.00 0.00 175.26 177.80 1veh n GLN 85 N 5.37 1.96 -0.75 4.30 0.00 -1.24 -0.91 117.38 126.11 1veh n GLN 85 Ca -0.06 -2.48 -0.31 0.00 -0.00 0.00 0.00 57.00 54.16 1veh n GLN 85 Cb 0.50 -3.46 0.16 0.00 0.00 0.00 0.00 30.24 27.44 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 7.76 2.18 -0.23 1.69 -7.23 0.50 -4.83 120.40 120.23 1veh s VAL 86 Ca 0.62 0.06 -0.37 0.00 -1.81 0.00 0.00 61.98 60.47 1veh s VAL 86 Cb 0.05 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 35.02 1veh s VAL 86 CO 0.11 -0.08 1.33 -0.94 -0.31 0.00 0.00 175.10 175.21 1veh s SER 87 N -2.74 -0.05 0.00 4.85 1.04 -1.26 -4.10 113.70 111.44 1veh s SER 87 Ca 0.66 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1veh s SER 87 Cb -0.22 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1veh s SER 87 CO 0.58 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.31 1veh n GLY 88 N -0.09 4.44 3.69 7.32 0.00 -1.26 -5.12 105.19 114.16 1veh n GLY 88 Ca 0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 3.03 4.34 0.34 1.61 0.04 -1.26 -5.01 135.00 138.09 1veh s PRO 89 Ca 0.00 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1veh s PRO 89 Cb 0.00 -3.56 -0.09 0.00 0.04 0.00 0.00 34.50 30.88 1veh s PRO 89 CO 0.00 -0.46 1.02 -1.12 0.04 0.00 0.00 177.00 176.47 1veh s SER 90 N 1.52 7.12 -0.34 6.66 0.01 -1.26 -5.03 113.70 122.39 1veh s SER 90 Ca 0.57 2.01 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1veh s SER 90 Cb -0.25 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.50 1veh s SER 90 CO 0.22 -0.23 0.15 -0.94 0.41 0.00 0.00 173.24 172.85 1veh s SER 91 N -1.41 3.68 0.00 2.44 1.04 -1.26 -5.35 113.70 112.84 1veh s SER 91 Ca 0.51 -1.83 0.27 0.00 0.48 0.00 0.00 55.95 55.39 1veh s SER 91 Cb -0.23 -0.70 0.85 0.00 0.10 0.00 0.00 66.02 66.03 1veh s SER 91 CO 0.29 -0.38 1.63 0.61 0.98 0.00 0.00 173.24 176.38