#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh n SER 2 N 0.00 -6.88 -3.21 1.61 7.64 -1.26 -4.42 113.62 107.10 1veh n SER 2 Ca 0.00 0.42 -0.14 0.00 1.01 0.00 0.00 58.87 60.16 1veh n SER 2 Cb 0.00 -4.60 0.01 0.00 -1.01 0.00 0.00 64.21 58.61 1veh n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1veh n SER 3 N -0.40 -6.51 0.00 6.43 2.88 -1.26 -4.84 113.62 109.92 1veh n SER 3 Ca 0.09 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1veh n SER 3 Cb 0.38 -2.37 0.00 0.00 -0.75 0.00 0.00 64.21 61.48 1veh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1veh n GLY 4 N 0.61 -0.69 2.83 0.46 0.00 -1.26 -4.99 105.19 102.15 1veh n GLY 4 Ca -0.02 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1veh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1veh s SER 5 N -0.10 4.09 0.04 1.61 0.15 -1.26 -4.59 113.70 113.64 1veh s SER 5 Ca 0.00 -1.63 -0.36 0.00 0.70 0.00 0.00 55.95 54.66 1veh s SER 5 Cb 0.00 -1.06 -0.15 0.00 -1.71 0.00 0.00 66.02 63.10 1veh s SER 5 CO 0.00 -0.37 1.57 -1.54 1.20 0.00 0.00 173.24 174.09 1veh n SER 6 N 4.71 2.56 -3.02 5.45 3.41 -1.26 -2.92 113.62 122.54 1veh n SER 6 Ca -0.03 1.08 -0.04 0.00 -0.26 0.00 0.00 58.87 59.62 1veh n SER 6 Cb 0.43 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1veh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1veh n GLY 7 N 3.37 -1.24 3.62 5.00 0.00 -1.26 -4.94 105.19 109.75 1veh n GLY 7 Ca 0.20 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.57 1veh n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1veh s SER 8 N -2.83 6.69 -0.14 1.61 1.04 -1.15 -4.56 113.70 114.36 1veh s SER 8 Ca 0.09 0.77 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 1veh s SER 8 Cb -0.02 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1veh s SER 8 CO 0.77 -0.53 0.11 -0.62 0.98 0.00 0.00 173.24 173.94 1veh n GLU 9 N 6.04 -2.68 -1.52 4.02 -0.58 -1.26 -4.76 120.64 119.89 1veh n GLU 9 Ca 0.03 2.23 -0.43 0.00 -0.42 0.00 0.00 57.16 58.58 1veh n GLU 9 Cb 0.48 -3.60 -0.06 0.00 -0.57 0.00 0.00 31.44 27.69 1veh n GLU 9 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1veh n GLU 10 N 0.88 1.14 -0.48 3.49 1.02 -1.26 -4.90 120.64 120.52 1veh n GLU 10 Ca -0.19 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1veh n GLU 10 Cb 0.29 -2.86 0.25 0.00 -0.02 0.00 0.00 31.44 29.11 1veh n GLU 10 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1veh n ASP 11 N 12.42 -2.18 -2.13 1.62 8.00 -1.26 -5.05 116.55 127.97 1veh n ASP 11 Ca 0.40 -0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.55 1veh n ASP 11 Cb 0.36 -1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 40.26 1veh n ASP 11 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1veh n ASP 12 N -4.47 -0.10 0.18 -2.24 9.92 -1.26 -5.01 116.55 113.57 1veh n ASP 12 Ca 0.02 -2.02 0.03 0.00 -0.53 0.00 0.00 54.79 52.30 1veh n ASP 12 Cb 0.56 0.73 0.33 0.00 -0.64 0.00 0.00 41.12 42.10 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1veh h GLU 13 N 0.00 0.00 -0.26 -1.24 5.08 -1.99 -2.37 114.58 113.80 1veh h GLU 13 Ca -0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1veh h GLU 13 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1veh h GLU 13 CO 0.17 0.42 -0.35 -0.24 -1.00 0.00 0.00 179.01 178.01 1veh h VAL 14 N 0.00 1.31 0.02 3.13 3.04 -1.99 -2.60 116.25 119.15 1veh h VAL 14 Ca -0.00 -1.54 -0.00 0.00 -1.01 0.00 0.00 66.70 64.15 1veh h VAL 14 Cb 0.82 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1veh h VAL 14 CO 0.05 0.49 -0.01 0.58 -1.01 0.00 0.00 177.57 177.67 1veh h VAL 15 N 0.43 1.00 -0.34 1.51 2.07 -1.91 0.24 116.25 119.26 1veh h VAL 15 Ca 0.03 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1veh h VAL 15 Cb 0.93 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1veh h VAL 15 CO 0.08 0.01 0.33 0.00 0.02 0.00 0.00 177.57 178.02 1veh h ALA 16 N 0.93 2.06 0.15 1.67 0.00 -1.41 0.42 119.26 123.07 1veh h ALA 16 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1veh h ALA 16 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1veh h ALA 16 CO 0.00 -0.51 -0.07 1.98 0.00 0.00 0.00 179.25 180.66 1veh h MET 17 N 0.00 -0.19 -0.19 0.00 4.05 -0.72 -3.06 114.93 114.82 1veh h MET 17 Ca 0.16 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 1veh h MET 17 Cb 0.82 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.61 1veh h MET 17 CO -0.00 -0.13 -0.14 0.82 0.23 0.00 0.00 176.91 177.69 1veh h ILE 18 N -0.87 0.60 -0.86 1.77 2.04 -0.50 -0.89 117.51 118.80 1veh h ILE 18 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1veh h ILE 18 Cb 0.15 0.60 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 1veh h ILE 18 CO 0.03 0.00 -0.06 0.11 0.00 0.00 0.00 178.15 178.24 1veh h LYS 19 N -0.14 0.04 0.18 2.37 1.57 -0.33 0.16 116.57 120.43 1veh h LYS 19 Ca 0.11 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1veh h LYS 19 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1veh h LYS 19 CO -0.28 0.03 -0.16 0.93 -0.57 0.00 0.00 179.45 179.40 1veh h GLU 20 N 0.05 -0.32 -1.36 3.15 5.08 -1.07 1.46 114.58 121.57 1veh h GLU 20 Ca 0.47 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 59.25 1veh h GLU 20 Cb 0.85 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 1veh h GLU 20 CO -0.81 -0.21 1.23 -0.07 -1.00 0.00 0.00 179.01 178.14 1veh h LEU 21 N -0.33 0.00 0.00 1.33 3.38 -0.64 2.95 115.31 122.01 1veh h LEU 21 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1veh h LEU 21 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1veh h LEU 21 CO -0.00 0.00 -0.44 -0.07 0.09 0.00 0.00 178.44 178.01 1veh h LEU 22 N 0.00 0.00 -0.78 1.67 -0.00 0.45 -3.35 115.31 113.31 1veh h LEU 22 Ca 0.65 -0.49 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1veh h LEU 22 Cb 3.10 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 43.72 1veh h LEU 22 CO -0.01 1.00 0.43 0.44 -0.00 0.00 0.00 178.44 180.30 1veh h ASP 23 N -1.00 0.96 0.00 -0.43 3.32 0.92 0.32 116.42 120.52 1veh h ASP 23 Ca -0.10 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1veh h ASP 23 Cb 0.80 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1veh h ASP 23 CO -0.06 0.78 0.00 0.35 -1.72 0.00 0.00 179.24 178.59 1veh n THR 24 N -4.44 0.00 -2.70 0.35 -2.24 0.91 -4.52 114.28 101.65 1veh n THR 24 Ca 0.07 0.74 -0.07 0.00 -2.27 0.00 0.00 64.05 62.52 1veh n THR 24 Cb 0.09 -1.12 0.10 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.81 1.00 0.00 -0.78 1.85 -1.24 -4.96 116.66 111.72 1veh n ARG 25 Ca 0.00 -1.63 0.00 0.00 -1.00 0.00 0.00 57.85 55.22 1veh n ARG 25 Cb 0.00 -0.13 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 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 -0.47 0.00 -0.01 8.89 5.41 -0.83 -4.53 119.36 127.82 1veh n ILE 26 Ca -0.06 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.56 1veh n ILE 26 Cb 0.80 -0.87 -0.10 0.00 -0.71 0.00 0.00 39.64 38.76 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 0.00 -0.00 0.00 0.38 2.43 -0.65 0.23 114.38 116.77 1veh h ARG 27 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1veh h ARG 27 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1veh h ARG 27 CO 0.00 0.44 0.00 -0.35 -1.51 0.00 0.00 179.97 178.55 1veh n PRO 28 N -4.88 0.36 -0.11 0.20 -0.04 -1.26 -0.95 135.00 128.32 1veh n PRO 28 Ca -0.08 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 1veh n PRO 28 Cb 0.23 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.26 1.55 -0.02 0.52 -1.04 -1.09 -3.71 114.28 109.24 1veh n THR 29 Ca 0.11 -0.45 -0.16 0.00 -2.04 0.00 0.00 64.05 61.52 1veh n THR 29 Cb 0.17 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 66.88 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 -0.47 1.41 -0.65 12.58 2.07 -0.50 -3.14 116.25 127.56 1veh h VAL 30 Ca -0.57 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.18 1veh h VAL 30 Cb 1.74 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.81 1veh h VAL 30 CO -0.20 0.53 0.43 0.06 0.02 0.00 0.00 177.57 178.41 1veh h GLN 31 N -0.06 0.65 0.00 1.57 3.07 -1.21 0.11 115.11 119.25 1veh h GLN 31 Ca -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1veh h GLN 31 Cb 1.09 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.50 1veh h GLN 31 CO 0.09 0.43 -0.02 0.93 0.09 0.00 0.00 178.83 180.34 1veh h GLU 32 N 0.67 0.00 0.38 0.06 5.08 -1.62 -2.82 114.58 116.33 1veh h GLU 32 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1veh h GLU 32 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1veh h GLU 32 CO -0.08 0.02 -0.34 0.22 -1.00 0.00 0.00 179.01 177.83 1veh h ASP 33 N 0.00 -0.93 0.00 1.42 1.82 -0.79 -3.47 116.42 114.48 1veh h ASP 33 Ca -0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1veh h ASP 33 Cb 0.05 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1veh h ASP 33 CO 0.00 -0.47 0.00 0.61 -1.61 0.00 0.00 179.24 177.78 1veh n GLY 34 N -1.39 0.06 0.00 -0.78 0.00 -1.06 -5.02 105.19 96.99 1veh n GLY 34 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.60 0.01 2.75 -0.02 0.00 -0.94 -4.89 105.19 101.51 1veh n GLY 35 Ca 0.00 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 1veh n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1veh s ASP 36 N -1.00 1.38 -0.24 1.61 1.01 -1.26 -4.16 116.67 114.02 1veh s ASP 36 Ca 0.00 -0.19 -0.17 0.00 0.71 0.00 0.00 52.55 52.90 1veh s ASP 36 Cb 0.00 0.33 -0.03 0.00 1.01 0.00 0.00 42.92 44.23 1veh s ASP 36 CO 0.00 -0.32 0.45 -0.69 0.21 0.00 0.00 175.17 174.82 1veh s VAL 37 N 2.31 5.13 -0.12 -1.27 1.01 -1.26 -3.37 120.40 122.83 1veh s VAL 37 Ca 0.06 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 1veh s VAL 37 Cb -0.15 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1veh s VAL 37 CO -0.11 0.16 0.03 -0.63 0.00 0.00 0.00 175.10 174.54 1veh s ILE 38 N 1.90 0.35 -0.55 2.22 1.09 -1.25 -4.88 121.20 120.07 1veh s ILE 38 Ca 0.20 -0.12 -0.28 0.00 -1.10 0.00 0.00 60.65 59.35 1veh s ILE 38 Cb -0.15 -0.68 0.01 0.00 -1.06 0.00 0.00 42.46 40.57 1veh s ILE 38 CO 0.09 0.04 1.48 -0.47 -0.10 0.00 0.00 174.94 175.98 1veh s TYR 39 N 1.96 2.19 -0.43 3.97 5.04 -1.26 0.58 117.35 129.41 1veh s TYR 39 Ca 0.03 0.50 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1veh s TYR 39 Cb -0.14 -4.35 0.13 0.00 0.35 0.00 0.00 41.96 37.94 1veh s TYR 39 CO -0.06 -2.08 0.21 1.03 -1.34 0.00 0.00 175.55 173.30 1veh s ARG 40 N 5.67 1.34 0.00 4.97 1.81 0.51 -4.96 118.95 128.29 1veh s ARG 40 Ca 0.55 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 1veh s ARG 40 Cb -0.12 -2.53 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 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 3.72 3.01 2.69 -3.53 0.00 -1.26 -4.56 105.19 105.26 1veh n GLY 41 Ca 0.06 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.38 -0.09 -0.01 1.61 5.36 -1.26 -0.23 117.98 122.98 1veh s PHE 42 Ca 0.00 -0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1veh s PHE 42 Cb 0.00 -0.51 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 1veh s PHE 42 CO 0.00 -0.59 0.06 -1.21 -1.46 0.00 0.00 175.22 172.02 1veh s GLU 43 N 2.25 0.25 -1.19 10.12 0.41 -1.20 -4.80 118.70 124.54 1veh s GLU 43 Ca 0.05 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 1veh s GLU 43 Cb -0.16 0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.30 1veh s GLU 43 CO -0.13 -0.05 0.00 -3.47 -0.49 0.00 0.00 175.26 171.12 1veh n ASP 44 N 2.22 -3.23 0.00 -0.19 2.03 -1.26 -0.41 116.55 115.71 1veh n ASP 44 Ca -0.18 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1veh n ASP 44 Cb 0.57 -3.00 0.00 0.00 -0.72 0.00 0.00 41.12 37.97 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 45 N -0.34 1.88 3.52 0.27 0.00 -1.26 -4.60 105.19 104.66 1veh n GLY 45 Ca -0.12 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.37 -0.61 2.08 0.45 -3.43 119.36 115.45 1veh n ILE 46 Ca 0.00 -0.42 -0.42 0.00 0.56 0.00 0.00 62.75 62.47 1veh n ILE 46 Cb 0.00 -1.73 -0.03 0.00 -0.75 0.00 0.00 39.64 37.13 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 10.46 4.00 -0.41 1.39 1.01 -0.39 -3.25 120.40 133.22 1veh s VAL 47 Ca 1.15 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 64.30 1veh s VAL 47 Cb -0.69 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 31.81 1veh s VAL 47 CO 0.38 0.04 0.70 -0.13 0.00 0.00 0.00 175.10 176.08 1veh s ARG 48 N 1.84 3.50 0.03 2.72 0.52 0.68 -1.93 118.95 126.31 1veh s ARG 48 Ca 0.59 -0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.77 1veh s ARG 48 Cb -0.28 -3.88 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 1veh s ARG 48 CO 0.26 -0.93 -0.11 -0.51 0.02 0.00 0.00 175.30 174.03 1veh s LEU 49 N 2.94 2.95 -1.00 2.53 2.01 0.16 0.19 118.68 128.45 1veh s LEU 49 Ca 0.26 -0.27 -0.02 0.00 0.01 0.00 0.00 54.13 54.12 1veh s LEU 49 Cb -0.14 -1.71 0.31 0.00 0.01 0.00 0.00 46.19 44.66 1veh s LEU 49 CO 0.18 0.26 1.53 1.17 1.01 0.00 0.00 176.35 180.51 1veh n LYS 50 N 1.49 4.63 -3.31 1.70 4.81 0.20 0.15 118.16 127.83 1veh n LYS 50 Ca -0.15 -4.62 -0.29 0.00 -0.87 0.00 0.00 58.31 52.37 1veh n LYS 50 Cb 0.52 -2.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 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 -3.37 4.05 -0.27 3.14 2.96 -1.22 -3.90 118.68 120.08 1veh s LEU 51 Ca 0.35 0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 54.91 1veh s LEU 51 Cb 0.12 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.34 1veh s LEU 51 CO 0.00 -0.20 0.61 -1.58 -1.32 0.00 0.00 176.35 173.86 1veh s GLN 52 N -3.51 0.56 -0.33 1.98 0.74 -1.26 -4.82 119.66 113.03 1veh s GLN 52 Ca 0.45 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 56.84 1veh s GLN 52 Cb -0.11 0.52 0.04 0.00 1.10 0.00 0.00 33.01 34.56 1veh s GLN 52 CO 0.29 -0.19 0.49 0.41 -0.55 0.00 0.00 175.29 175.74 1veh n GLY 53 N 5.03 0.14 0.20 2.59 0.00 -1.26 -4.01 105.19 107.88 1veh n GLY 53 Ca -0.15 0.85 -0.27 0.00 0.00 0.00 0.00 46.02 46.45 1veh n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1veh n SER 54 N 0.21 1.82 -2.66 1.61 3.41 -1.26 -2.22 113.62 114.53 1veh n SER 54 Ca -0.07 0.32 -0.03 0.00 -0.26 0.00 0.00 58.87 58.83 1veh n SER 54 Cb 0.59 -0.76 0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1veh n THR 56 N 0.36 2.87 0.61 0.00 -1.04 -1.26 -4.12 114.28 111.70 1veh n THR 56 Ca -0.10 -1.81 0.12 0.00 -2.04 0.00 0.00 64.05 60.22 1veh n THR 56 Cb 0.75 -1.03 0.15 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.31 0.66 -3.75 8.00 7.64 -1.26 -4.87 113.62 119.73 1veh n SER 57 Ca 0.42 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 1veh n SER 57 Cb 0.87 0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 64.28 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 5.45 0.38 0.53 0.00 0.13 -1.91 -2.93 132.00 133.64 1veh h PRO 59 Ca -0.27 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 64.46 1veh h PRO 59 Cb 1.18 0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1veh h PRO 59 CO 0.29 1.04 -0.25 1.03 -0.23 0.00 0.00 178.00 179.88 1veh h SER 60 N 0.23 -0.60 -0.95 1.44 0.87 -1.96 0.80 113.55 113.37 1veh h SER 60 Ca -0.06 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.66 1veh h SER 60 Cb 1.47 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 63.50 1veh h SER 60 CO 0.15 -0.40 0.60 0.28 -0.53 0.00 0.00 176.83 176.93 1veh h SER 61 N -0.75 0.74 0.44 6.23 0.02 -1.92 1.48 113.55 119.78 1veh h SER 61 Ca -0.07 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1veh h SER 61 Cb 0.56 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1veh h SER 61 CO 0.12 0.35 -0.21 0.40 -1.14 0.00 0.00 176.83 176.35 1veh h ILE 62 N 0.78 0.21 0.00 3.27 2.04 -1.26 1.46 117.51 124.01 1veh h ILE 62 Ca 0.49 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1veh h ILE 62 Cb 0.73 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1veh h ILE 62 CO -0.26 0.05 0.00 -0.38 0.00 0.00 0.00 178.15 177.56 1veh n ILE 63 N -5.18 1.36 -0.12 -0.67 5.41 0.27 0.12 119.36 120.56 1veh n ILE 63 Ca -0.09 0.56 -0.26 0.00 1.00 0.00 0.00 62.75 63.97 1veh n ILE 63 Cb 0.27 -1.53 -0.11 0.00 -0.71 0.00 0.00 39.64 37.56 1veh n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1veh n THR 64 N -1.92 1.54 -0.02 1.39 -1.04 0.50 -3.72 114.28 111.01 1veh n THR 64 Ca -0.00 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1veh n THR 64 Cb 0.05 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 66.61 1veh n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1veh n LEU 65 N -4.31 0.56 -0.06 -4.42 7.99 0.50 -2.90 117.00 114.35 1veh n LEU 65 Ca -0.43 0.24 -0.02 0.00 -0.01 0.00 0.00 56.01 55.78 1veh n LEU 65 Cb 0.79 -0.59 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 1veh n LEU 65 CO 0.12 -0.46 0.50 0.50 -1.51 0.00 0.00 177.39 176.53 1veh h LYS 66 N -0.30 -0.03 -0.59 3.23 3.64 0.86 1.51 116.57 124.89 1veh h LYS 66 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1veh h LYS 66 Cb 0.22 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1veh h LYS 66 CO 0.00 -0.02 0.36 1.03 -2.27 0.00 0.00 179.45 178.55 1veh h SER 67 N -0.03 0.58 -0.26 4.20 0.87 0.38 0.55 113.55 119.84 1veh h SER 67 Ca 0.03 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1veh h SER 67 Cb 0.10 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.86 1veh h SER 67 CO -0.16 0.40 -0.31 1.23 -0.53 0.00 0.00 176.83 177.46 1veh h GLY 68 N 0.70 -0.32 0.59 5.77 0.00 -0.90 -0.01 103.07 108.91 1veh h GLY 68 Ca 0.24 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1veh h GLY 68 CO -0.10 -0.21 -0.04 -2.22 0.00 0.00 0.00 176.54 173.96 1veh h ILE 69 N -0.31 1.14 -0.95 2.60 2.04 0.24 -0.12 117.51 122.15 1veh h ILE 69 Ca 0.13 -0.89 0.34 0.00 1.00 0.00 0.00 64.86 65.44 1veh h ILE 69 Cb 0.53 1.71 -0.17 0.00 -0.74 0.00 0.00 36.82 38.14 1veh h ILE 69 CO -0.43 0.22 0.31 1.67 0.00 0.00 0.00 178.15 179.91 1veh n GLN 70 N -4.95 -0.06 -0.01 2.37 0.00 0.19 0.17 117.38 115.09 1veh n GLN 70 Ca -0.08 1.36 -0.00 0.00 -0.00 0.00 0.00 57.00 58.27 1veh n GLN 70 Cb 0.23 -2.32 -0.00 0.00 0.00 0.00 0.00 30.24 28.15 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1veh h ASN 71 N 0.00 -0.03 -1.07 1.69 -0.73 -0.89 -3.29 115.58 111.26 1veh h ASN 71 Ca 0.71 0.00 0.36 0.00 1.87 0.00 0.00 56.30 59.24 1veh h ASN 71 Cb 1.74 0.01 -0.09 0.00 0.27 0.00 0.00 38.32 40.25 1veh h ASN 71 CO -0.80 0.24 0.71 0.80 -0.37 0.00 0.00 177.43 178.00 1veh n MET 72 N -3.50 -0.02 0.34 6.67 1.56 -0.07 0.26 117.12 122.36 1veh n MET 72 Ca -0.00 0.88 -0.13 0.00 -0.27 0.00 0.00 57.70 58.18 1veh n MET 72 Cb 0.01 -1.79 -0.06 0.00 2.15 0.00 0.00 33.22 33.53 1veh n MET 72 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1veh h LEU 73 N 0.00 -0.74 -0.67 -0.89 7.12 -0.36 -3.16 115.31 116.61 1veh h LEU 73 Ca 0.64 0.03 -0.14 0.00 0.13 0.00 0.00 57.88 58.54 1veh h LEU 73 Cb 2.17 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 42.47 1veh h LEU 73 CO -0.28 -0.51 -0.66 0.06 -0.13 0.00 0.00 178.44 176.92 1veh h GLN 74 N -0.91 0.02 -1.35 1.25 3.07 0.78 -3.19 115.11 114.79 1veh h GLN 74 Ca -0.09 -0.02 0.44 0.00 0.09 0.00 0.00 58.65 59.08 1veh h GLN 74 Cb 0.67 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.12 1veh h GLN 74 CO 0.15 0.68 0.90 0.34 0.09 0.00 0.00 178.83 180.98 1veh n PHE 75 N -3.76 0.48 -0.09 0.06 -0.00 0.73 -0.47 117.46 114.39 1veh n PHE 75 Ca -0.01 0.48 -0.16 0.00 -0.00 0.00 0.00 57.45 57.76 1veh n PHE 75 Cb 0.65 -0.91 -0.07 0.00 -0.00 0.00 0.00 39.48 39.15 1veh n PHE 75 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1veh n TYR 76 N -4.29 0.86 -2.93 -5.13 4.01 -1.21 -4.86 117.16 103.60 1veh n TYR 76 Ca 0.37 0.37 -0.41 0.00 -0.16 0.00 0.00 57.90 58.07 1veh n TYR 76 Cb 1.49 -0.95 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1veh n TYR 76 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1veh s ILE 77 N -2.36 4.90 -0.82 -0.72 1.01 0.38 -4.91 121.20 118.67 1veh s ILE 77 Ca -0.25 1.53 0.23 0.00 0.00 0.00 0.00 60.65 62.17 1veh s ILE 77 Cb 0.05 -4.09 0.22 0.00 0.01 0.00 0.00 42.46 38.65 1veh s ILE 77 CO 0.44 0.02 1.72 -0.81 0.00 0.00 0.00 174.94 176.31 1veh n PRO 78 N 5.39 0.10 0.00 2.79 -0.04 -1.26 -3.94 135.00 138.05 1veh n PRO 78 Ca 0.04 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1veh n PRO 78 Cb 0.49 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1veh n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1veh n GLU 79 N -1.84 0.00 -0.92 0.54 -0.58 -1.26 -4.77 120.64 111.81 1veh n GLU 79 Ca 0.05 0.26 -0.34 0.00 -0.42 0.00 0.00 57.16 56.70 1veh n GLU 79 Cb 0.29 -1.20 0.09 0.00 -0.57 0.00 0.00 31.44 30.04 1veh n GLU 79 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1veh n VAL 80 N -1.27 0.16 0.00 2.62 3.14 -1.25 -4.44 118.33 117.28 1veh n VAL 80 Ca 0.00 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1veh n VAL 80 Cb 0.00 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 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 -0.11 0.00 -4.31 1.45 1.02 -1.22 -4.91 120.64 112.56 1veh n GLU 81 Ca 0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 1veh n GLU 81 Cb 0.54 -0.18 -0.09 0.00 -0.02 0.00 0.00 31.44 31.69 1veh n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1veh s GLY 82 N -4.34 1.99 0.24 0.62 0.00 -1.26 -4.97 107.32 99.59 1veh s GLY 82 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 44.72 43.05 1veh s GLY 82 CO 0.00 -1.55 -0.21 -1.34 0.00 0.00 0.00 173.10 170.00 1veh s VAL 83 N -3.67 2.33 -0.15 1.40 -7.23 -1.26 -1.26 120.40 110.55 1veh s VAL 83 Ca 0.37 -2.23 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1veh s VAL 83 Cb 0.05 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.86 1veh s VAL 83 CO 0.18 -0.32 0.37 -1.61 -0.31 0.00 0.00 175.10 173.41 1veh s GLU 84 N -3.19 0.37 -1.23 4.82 2.02 -0.81 -4.90 118.70 115.77 1veh s GLU 84 Ca 0.25 0.68 -0.13 0.00 0.02 0.00 0.00 54.97 55.79 1veh s GLU 84 Cb -0.06 0.01 0.17 0.00 0.10 0.00 0.00 34.13 34.35 1veh s GLU 84 CO 0.12 -0.13 1.56 0.94 0.02 0.00 0.00 175.26 177.77 1veh n GLN 85 N 3.94 3.42 -1.54 1.61 0.00 -1.24 0.35 117.38 123.91 1veh n GLN 85 Ca -0.21 -3.74 -0.40 0.00 -0.00 0.00 0.00 57.00 52.64 1veh n GLN 85 Cb 0.55 -3.03 0.02 0.00 0.00 0.00 0.00 30.24 27.78 1veh n GLN 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1veh n VAL 86 N 4.38 2.39 0.10 1.69 0.24 0.39 -4.78 118.33 122.74 1veh n VAL 86 Ca 0.38 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1veh n VAL 86 Cb 0.41 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 1veh n VAL 86 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1veh n SER 87 N 0.56 0.09 0.00 -1.34 2.88 -1.26 -4.38 113.62 110.17 1veh n SER 87 Ca 0.11 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1veh n SER 87 Cb 0.42 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1veh n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1veh n GLY 88 N 1.98 1.52 3.77 0.46 0.00 -1.26 -5.11 105.19 106.54 1veh n GLY 88 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.63 -0.14 -0.03 1.61 0.04 -1.26 -5.06 135.00 127.54 1veh s PRO 89 Ca 0.00 -0.19 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 1veh s PRO 89 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1veh s PRO 89 CO 0.00 -2.97 0.17 -1.12 0.04 0.00 0.00 177.00 173.11 1veh s SER 90 N -4.36 6.30 -0.30 6.66 0.01 -1.26 -5.07 113.70 115.68 1veh s SER 90 Ca 0.72 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 58.27 1veh s SER 90 Cb -0.08 -1.97 0.19 0.00 0.21 0.00 0.00 66.02 64.37 1veh s SER 90 CO 0.54 0.29 0.84 -0.55 0.41 0.00 0.00 173.24 174.77 1veh s SER 91 N -1.78 -0.95 0.00 2.44 0.15 -1.26 -5.35 113.70 106.95 1veh s SER 91 Ca 0.25 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1veh s SER 91 Cb -0.12 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1veh s SER 91 CO 0.16 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.03