#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 -2.58 -3.73 1.61 2.88 -1.26 -5.07 113.62 105.46 1veh n SER 2 Ca 0.00 0.69 -0.30 0.00 -1.33 0.00 0.00 58.87 57.93 1veh n SER 2 Cb 0.00 2.57 -0.14 0.00 -0.75 0.00 0.00 64.21 65.89 1veh n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1veh s SER 3 N -1.85 3.89 0.00 -3.46 0.15 -1.26 -4.85 113.70 106.32 1veh s SER 3 Ca 0.00 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.61 1veh s SER 3 Cb 0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1veh s SER 3 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1veh n GLY 4 N 4.31 0.80 2.65 9.45 0.00 -1.26 -5.09 105.19 116.06 1veh n GLY 4 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1veh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1veh n SER 5 N 0.00 -2.28 -4.29 1.61 7.64 -1.26 -5.05 113.62 109.99 1veh n SER 5 Ca 0.00 1.35 -0.19 0.00 1.01 0.00 0.00 58.87 61.04 1veh n SER 5 Cb 0.00 -5.12 -0.11 0.00 -1.01 0.00 0.00 64.21 57.97 1veh n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1veh s SER 6 N -0.86 2.32 1.27 6.43 1.04 -1.26 -4.77 113.70 117.88 1veh s SER 6 Ca -0.22 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.18 1veh s SER 6 Cb 0.01 -0.11 0.25 0.00 0.10 0.00 0.00 66.02 66.28 1veh s SER 6 CO 0.76 -0.11 0.73 0.61 0.98 0.00 0.00 173.24 176.21 1veh n GLY 7 N 0.31 -3.28 0.06 7.32 0.00 -1.26 -5.00 105.19 103.35 1veh n GLY 7 Ca -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.74 -0.04 -0.31 1.61 0.02 -2.01 -3.48 113.55 106.61 1veh h SER 8 Ca -0.30 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 60.90 1veh h SER 8 Cb 0.96 0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.28 1veh h SER 8 CO 0.19 0.45 0.25 -0.70 -1.14 0.00 0.00 176.83 175.88 1veh s GLU 9 N -1.68 0.14 0.60 3.45 -6.30 -1.26 -5.14 118.70 108.50 1veh s GLU 9 Ca -0.01 0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.74 1veh s GLU 9 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 34.13 34.29 1veh s GLU 9 CO 0.02 -0.12 0.00 -1.91 0.02 0.00 0.00 175.26 173.27 1veh n GLU 10 N 5.28 -4.30 -1.39 4.30 2.13 -1.26 -4.88 120.64 120.51 1veh n GLU 10 Ca -0.08 3.33 -0.31 0.00 0.66 0.00 0.00 57.16 60.76 1veh n GLU 10 Cb 0.54 -4.12 0.07 0.00 0.27 0.00 0.00 31.44 28.20 1veh n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1veh s ASP 11 N -5.29 4.87 0.40 4.31 1.11 -1.26 -5.07 116.67 115.74 1veh s ASP 11 Ca 0.00 1.73 0.03 0.00 0.18 0.00 0.00 52.55 54.49 1veh s ASP 11 Cb 0.00 -2.50 0.03 0.00 1.07 0.00 0.00 42.92 41.51 1veh s ASP 11 CO 0.00 -1.79 0.23 0.47 1.18 0.00 0.00 175.17 175.26 1veh n ASP 12 N -3.36 2.45 0.23 0.27 8.00 -1.26 -5.00 116.55 117.89 1veh n ASP 12 Ca 0.08 -2.44 0.10 0.00 0.71 0.00 0.00 54.79 53.24 1veh n ASP 12 Cb 0.53 0.04 0.51 0.00 -0.02 0.00 0.00 41.12 42.18 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1veh h GLU 13 N 0.00 0.00 -0.02 -1.24 5.08 -1.99 -2.30 114.58 114.11 1veh h GLU 13 Ca -0.27 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1veh h GLU 13 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 1veh h GLU 13 CO 0.43 0.22 -0.65 -0.24 -1.00 0.00 0.00 179.01 177.77 1veh h VAL 14 N 0.00 1.39 -0.67 3.13 3.04 -2.00 -3.00 116.25 118.15 1veh h VAL 14 Ca -0.00 -2.05 0.01 0.00 -1.01 0.00 0.00 66.70 63.65 1veh h VAL 14 Cb 0.66 2.48 -0.03 0.00 -2.01 0.00 0.00 31.29 32.38 1veh h VAL 14 CO 0.03 0.61 0.44 0.58 -1.01 0.00 0.00 177.57 178.22 1veh h VAL 15 N 0.02 1.16 0.00 1.51 2.07 -1.89 0.16 116.25 119.28 1veh h VAL 15 Ca -0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1veh h VAL 15 Cb 1.34 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1veh h VAL 15 CO 0.13 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1veh h ALA 16 N 1.25 1.00 0.03 1.67 0.00 -1.44 0.13 119.26 121.91 1veh h ALA 16 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1veh h ALA 16 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1veh h ALA 16 CO -0.06 0.00 -0.02 1.98 0.00 0.00 0.00 179.25 181.15 1veh h MET 17 N 0.00 -0.04 -0.23 0.00 4.05 -0.55 -3.25 114.93 114.90 1veh h MET 17 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1veh h MET 17 Cb 0.08 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1veh h MET 17 CO 0.00 0.21 0.15 0.82 0.23 0.00 0.00 176.91 178.32 1veh h ILE 18 N -1.00 1.06 -0.98 1.77 2.04 -1.02 -1.97 117.51 117.41 1veh h ILE 18 Ca -0.00 -0.12 0.22 0.00 1.00 0.00 0.00 64.86 65.95 1veh h ILE 18 Cb 0.27 0.73 -0.19 0.00 -0.74 0.00 0.00 36.82 36.90 1veh h ILE 18 CO 0.01 0.06 -0.17 0.11 0.00 0.00 0.00 178.15 178.16 1veh h LYS 19 N 0.31 0.00 -0.31 2.37 1.57 -0.90 1.02 116.57 120.62 1veh h LYS 19 Ca 0.08 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1veh h LYS 19 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1veh h LYS 19 CO -0.02 0.00 0.05 1.49 -0.57 0.00 0.00 179.45 180.40 1veh h GLU 20 N 0.00 0.52 0.00 3.15 4.81 -1.46 -0.06 114.58 121.54 1veh h GLU 20 Ca 0.51 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1veh h GLU 20 Cb 0.86 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1veh h GLU 20 CO -0.99 0.62 0.25 1.25 -0.73 0.00 0.00 179.01 179.41 1veh h LEU 21 N 0.35 0.00 0.00 1.64 6.46 0.17 2.26 115.31 126.18 1veh h LEU 21 Ca 0.10 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.69 1veh h LEU 21 Cb 0.35 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1veh h LEU 21 CO 0.01 0.00 -1.07 0.18 -0.62 0.00 0.00 178.44 176.94 1veh n LEU 22 N -2.84 1.85 0.00 2.25 7.99 0.37 -4.23 117.00 122.38 1veh n LEU 22 Ca -0.02 0.49 0.01 0.00 -0.01 0.00 0.00 56.01 56.48 1veh n LEU 22 Cb 0.30 -0.92 0.33 0.00 -0.11 0.00 0.00 43.42 43.01 1veh n LEU 22 CO 0.14 0.02 0.98 0.44 -1.51 0.00 0.00 177.39 177.47 1veh h ASP 23 N -1.00 0.47 0.00 -1.43 3.32 0.18 1.59 116.42 119.56 1veh h ASP 23 Ca -0.24 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1veh h ASP 23 Cb 1.04 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1veh h ASP 23 CO -0.15 0.51 0.00 0.35 -1.72 0.00 0.00 179.24 178.23 1veh n THR 24 N -4.32 0.00 -2.76 0.35 -2.24 0.75 -4.46 114.28 101.60 1veh n THR 24 Ca 0.02 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1veh n THR 24 Cb 0.21 -0.76 0.05 0.00 -2.10 0.00 0.00 70.33 67.72 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 0.00 1.38 0.03 -0.78 1.85 -1.25 -4.81 116.66 113.07 1veh n ARG 25 Ca 0.00 -3.05 -0.01 0.00 -1.00 0.00 0.00 57.85 53.79 1veh n ARG 25 Cb 0.00 -1.16 -0.00 0.00 -1.05 0.00 0.00 32.46 30.25 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 0.97 -0.04 8.89 5.41 -0.88 -4.24 119.36 129.01 1veh n ILE 26 Ca 0.05 0.31 -0.09 0.00 1.00 0.00 0.00 62.75 64.01 1veh n ILE 26 Cb 0.86 -1.51 -0.03 0.00 -0.71 0.00 0.00 39.64 38.25 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 -0.06 0.12 0.00 0.38 1.12 0.20 0.03 114.38 116.17 1veh h ARG 27 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1veh h ARG 27 Cb 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1veh h ARG 27 CO 0.00 0.08 0.00 -0.35 -3.11 0.00 0.00 179.97 176.59 1veh n PRO 28 N -5.07 0.19 0.10 0.20 -0.04 -1.26 -2.80 135.00 126.32 1veh n PRO 28 Ca -0.03 0.29 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1veh n PRO 28 Cb 0.08 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 31.62 1veh n PRO 28 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1veh h THR 29 N 0.00 1.53 -0.26 0.52 2.02 -1.38 -3.29 112.91 112.05 1veh h THR 29 Ca 0.00 -3.12 -0.01 0.00 0.77 0.00 0.00 66.41 64.06 1veh h THR 29 Cb 0.53 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.86 1veh h THR 29 CO 0.00 0.91 0.14 0.58 0.37 0.00 0.00 175.52 177.52 1veh h VAL 30 N 0.06 1.12 -0.65 3.16 2.07 -0.88 -2.67 116.25 118.47 1veh h VAL 30 Ca -0.12 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.21 1veh h VAL 30 Cb 1.95 0.86 -0.11 0.00 -1.52 0.00 0.00 31.29 32.47 1veh h VAL 30 CO 0.19 0.12 -0.04 1.56 0.02 0.00 0.00 177.57 179.42 1veh h GLN 31 N 0.31 0.08 -0.13 1.57 4.20 -1.55 1.28 115.11 120.86 1veh h GLN 31 Ca 0.09 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1veh h GLN 31 Cb 0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1veh h GLN 31 CO -0.01 0.05 0.45 1.49 -0.67 0.00 0.00 178.83 180.14 1veh h GLU 32 N 0.08 0.00 0.00 1.46 4.81 -1.54 -2.44 114.58 116.95 1veh h GLU 32 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1veh h GLU 32 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1veh h GLU 32 CO -0.59 0.00 -0.92 -3.47 -0.73 0.00 0.00 179.01 173.30 1veh n ASP 33 N -3.06 1.90 0.00 1.04 2.03 0.38 -5.05 116.55 113.79 1veh n ASP 33 Ca 0.01 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1veh n ASP 33 Cb 0.53 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 34 N 1.48 -0.74 3.84 0.27 0.00 0.19 -5.10 105.19 105.14 1veh n GLY 34 Ca -0.13 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1veh n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1veh s GLY 35 N 0.00 0.20 -0.17 -0.02 0.00 -1.13 -4.04 107.32 102.16 1veh s GLY 35 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 1veh s GLY 35 CO 0.00 0.79 0.30 0.51 0.00 0.00 0.00 173.10 174.70 1veh s ASP 36 N -3.18 0.45 -0.29 1.64 1.47 -1.25 -2.70 116.67 112.80 1veh s ASP 36 Ca 0.17 0.43 -0.17 0.00 1.18 0.00 0.00 52.55 54.17 1veh s ASP 36 Cb -0.04 0.80 -0.03 0.00 -0.34 0.00 0.00 42.92 43.32 1veh s ASP 36 CO 0.08 -0.27 0.45 0.54 0.68 0.00 0.00 175.17 176.66 1veh s VAL 37 N 2.45 5.10 -0.31 2.11 0.11 -1.26 -3.42 120.40 125.18 1veh s VAL 37 Ca 0.04 0.60 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 1veh s VAL 37 Cb -0.13 -3.81 0.09 0.00 -1.53 0.00 0.00 36.38 31.00 1veh s VAL 37 CO -0.11 0.04 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.06 1veh s ILE 38 N 2.22 2.21 -0.55 7.04 1.09 -1.24 -4.85 121.20 127.12 1veh s ILE 38 Ca 0.18 -2.07 -0.27 0.00 -1.10 0.00 0.00 60.65 57.38 1veh s ILE 38 Cb -0.16 -2.52 -0.00 0.00 -1.06 0.00 0.00 42.46 38.72 1veh s ILE 38 CO 0.10 -0.40 1.65 -0.47 -0.10 0.00 0.00 174.94 175.73 1veh s TYR 39 N 0.99 1.96 -0.42 3.97 5.04 -1.26 -1.25 117.35 126.38 1veh s TYR 39 Ca 0.04 0.60 0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1veh s TYR 39 Cb -0.19 -4.24 0.13 0.00 0.35 0.00 0.00 41.96 38.01 1veh s TYR 39 CO -0.07 -2.28 0.21 1.03 -1.34 0.00 0.00 175.55 173.09 1veh s ARG 40 N 6.14 1.28 0.00 4.97 1.81 0.38 -4.97 118.95 128.57 1veh s ARG 40 Ca 0.62 -1.92 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 1veh s ARG 40 Cb -0.13 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 1veh s ARG 40 CO 0.24 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 1veh n GLY 41 N 3.74 2.80 2.68 -3.53 0.00 -1.26 -4.54 105.19 105.07 1veh n GLY 41 Ca 0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.52 -0.05 0.03 1.61 2.19 -1.26 -0.18 117.98 119.81 1veh s PHE 42 Ca 0.00 -0.12 0.01 0.00 0.33 0.00 0.00 56.93 57.15 1veh s PHE 42 Cb 0.00 -0.55 -0.02 0.00 -1.31 0.00 0.00 43.02 41.14 1veh s PHE 42 CO 0.00 -0.61 -0.05 -1.21 1.83 0.00 0.00 175.22 175.18 1veh s GLU 43 N 2.23 0.40 -0.24 10.12 0.41 -1.13 -4.79 118.70 125.71 1veh s GLU 43 Ca 0.05 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 1veh s GLU 43 Cb -0.16 -0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.13 1veh s GLU 43 CO -0.14 -0.01 0.00 -3.47 -0.49 0.00 0.00 175.26 171.15 1veh n ASP 44 N 1.54 -1.48 0.00 -0.19 2.03 -1.26 0.84 116.55 118.02 1veh n ASP 44 Ca -0.23 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1veh n ASP 44 Cb 0.55 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 -0.47 1.70 3.50 0.27 0.00 -1.26 -4.23 105.19 104.69 1veh n GLY 45 Ca -0.03 -0.27 -0.41 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 -0.01 -2.61 -0.61 2.08 0.25 -3.09 119.36 115.35 1veh n ILE 46 Ca 0.00 -0.24 -0.43 0.00 0.56 0.00 0.00 62.75 62.64 1veh n ILE 46 Cb 0.00 -1.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.65 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 9.68 4.34 -0.39 1.39 1.01 -0.94 -2.83 120.40 132.68 1veh s VAL 47 Ca 1.23 1.47 -0.29 0.00 0.00 0.00 0.00 61.98 64.39 1veh s VAL 47 Cb -0.94 -4.51 -0.00 0.00 0.00 0.00 0.00 36.38 30.93 1veh s VAL 47 CO 0.43 -0.75 1.56 -0.13 0.00 0.00 0.00 175.10 176.21 1veh s ARG 48 N 4.08 3.47 0.00 2.72 0.52 0.75 -3.39 118.95 127.10 1veh s ARG 48 Ca 0.47 1.10 0.07 0.00 -0.52 0.00 0.00 55.73 56.85 1veh s ARG 48 Cb -0.10 -4.10 -0.02 0.00 0.52 0.00 0.00 34.95 31.26 1veh s ARG 48 CO 0.24 -1.70 -0.22 -0.51 0.02 0.00 0.00 175.30 173.13 1veh s LEU 49 N 6.03 2.08 -0.98 2.53 1.43 -0.61 0.14 118.68 129.31 1veh s LEU 49 Ca 0.68 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1veh s LEU 49 Cb -0.17 -1.13 0.30 0.00 0.03 0.00 0.00 46.19 45.22 1veh s LEU 49 CO 0.33 0.25 1.37 1.17 0.23 0.00 0.00 176.35 179.69 1veh n LYS 50 N 2.30 4.18 -3.65 1.70 4.81 -0.38 0.97 118.16 128.09 1veh n LYS 50 Ca -0.16 -4.60 -0.32 0.00 -0.87 0.00 0.00 58.31 52.36 1veh n LYS 50 Cb 0.52 -2.45 -0.05 0.00 0.02 0.00 0.00 35.03 33.07 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 -2.89 4.29 0.22 3.14 -0.00 -1.22 -3.70 118.68 118.52 1veh s LEU 51 Ca 0.34 0.65 -0.13 0.00 -0.00 0.00 0.00 54.13 54.99 1veh s LEU 51 Cb 0.08 -3.20 0.00 0.00 -0.00 0.00 0.00 46.19 43.08 1veh s LEU 51 CO 0.06 0.09 0.45 -1.58 -0.00 0.00 0.00 176.35 175.37 1veh s GLN 52 N -2.42 1.44 0.00 1.48 0.74 -1.26 -4.87 119.66 114.77 1veh s GLN 52 Ca 0.38 -1.16 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1veh s GLN 52 Cb -0.13 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.45 1veh s GLN 52 CO 0.22 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 1veh n GLY 53 N -0.34 2.94 0.31 2.59 0.00 -1.26 -3.71 105.19 105.73 1veh n GLY 53 Ca -0.04 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.19 1veh n GLY 53 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1veh h SER 54 N 0.00 -0.78 -3.94 1.61 0.87 -1.94 -3.47 113.55 105.90 1veh h SER 54 Ca 0.00 0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 1veh h SER 54 Cb 0.00 0.53 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1veh h SER 54 CO 0.00 -0.28 -0.28 0.00 -0.53 0.00 0.00 176.83 175.73 1veh n THR 56 N -2.20 0.58 0.00 0.00 5.66 -1.26 -4.51 114.28 112.54 1veh n THR 56 Ca -0.01 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1veh n THR 56 Cb 0.15 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 0.27 0.00 -4.49 1.09 2.88 -1.26 -4.42 113.62 107.69 1veh n SER 57 Ca 0.09 0.85 -0.32 0.00 -1.33 0.00 0.00 58.87 58.16 1veh n SER 57 Cb 0.35 -0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.29 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 5.15 0.35 0.00 0.00 0.13 -1.94 -3.29 132.00 132.40 1veh h PRO 59 Ca -0.47 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1veh h PRO 59 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1veh h PRO 59 CO 0.50 1.01 0.00 0.45 -0.23 0.00 0.00 178.00 179.74 1veh n SER 60 N -4.33 0.00 -0.33 1.44 2.88 -1.26 0.19 113.62 112.20 1veh n SER 60 Ca -0.09 0.82 0.20 0.00 -1.33 0.00 0.00 58.87 58.47 1veh n SER 60 Cb 0.59 -0.35 0.39 0.00 -0.75 0.00 0.00 64.21 64.09 1veh n SER 60 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1veh n SER 61 N -2.44 0.04 0.26 -3.46 2.88 -1.26 0.17 113.62 109.81 1veh n SER 61 Ca 0.00 1.67 -0.15 0.00 -1.33 0.00 0.00 58.87 59.06 1veh n SER 61 Cb 0.00 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 62.70 1veh n SER 61 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1veh h ILE 62 N 0.00 0.48 0.00 2.46 2.04 0.13 1.47 117.51 124.09 1veh h ILE 62 Ca 0.68 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1veh h ILE 62 Cb 1.57 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1veh h ILE 62 CO -0.88 0.05 0.00 -0.38 0.00 0.00 0.00 178.15 176.94 1veh n ILE 63 N -5.30 1.01 -0.10 -0.67 5.41 0.49 0.18 119.36 120.39 1veh n ILE 63 Ca -0.11 0.69 -0.23 0.00 1.00 0.00 0.00 62.75 64.10 1veh n ILE 63 Cb 0.30 -1.69 -0.12 0.00 -0.71 0.00 0.00 39.64 37.43 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 -2.27 1.56 -0.03 1.39 -1.04 0.44 -3.85 114.28 110.49 1veh n THR 64 Ca -0.01 -0.16 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1veh n THR 64 Cb 0.05 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 66.58 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 -4.28 0.72 -0.28 -4.42 4.32 0.49 -2.54 117.00 111.01 1veh n LEU 65 Ca -0.36 0.39 -0.08 0.00 -0.02 0.00 0.00 56.01 55.94 1veh n LEU 65 Cb 0.76 -0.65 -0.07 0.00 -1.62 0.00 0.00 43.42 41.84 1veh n LEU 65 CO 0.19 -0.49 0.49 0.50 -1.22 0.00 0.00 177.39 176.86 1veh h LYS 66 N -0.40 -0.02 0.85 3.23 3.64 0.18 1.47 116.57 125.52 1veh h LYS 66 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1veh h LYS 66 Cb 0.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1veh h LYS 66 CO 0.00 -0.02 -0.46 1.03 -2.27 0.00 0.00 179.45 177.73 1veh h SER 67 N -0.03 -1.12 -0.94 4.20 0.87 -1.26 0.83 113.55 116.10 1veh h SER 67 Ca 0.11 0.05 0.15 0.00 -1.23 0.00 0.00 61.79 60.87 1veh h SER 67 Cb 0.30 0.31 -0.16 0.00 -0.44 0.00 0.00 62.40 62.41 1veh h SER 67 CO -0.64 -0.74 -0.37 1.23 -0.53 0.00 0.00 176.83 175.78 1veh h GLY 68 N -1.21 0.11 0.98 5.77 0.00 -1.03 1.01 103.07 108.70 1veh h GLY 68 Ca -0.12 0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1veh h GLY 68 CO 0.16 -0.22 0.49 -2.22 0.00 0.00 0.00 176.54 174.75 1veh h ILE 69 N -0.02 1.17 -0.34 2.60 2.04 0.22 -1.25 117.51 121.93 1veh h ILE 69 Ca 0.34 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1veh h ILE 69 Cb 0.60 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1veh h ILE 69 CO -0.95 0.18 0.01 -0.61 0.00 0.00 0.00 178.15 176.78 1veh h GLN 70 N 0.98 0.10 0.66 2.37 4.15 0.34 -1.01 115.11 122.71 1veh h GLN 70 Ca 0.28 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1veh h GLN 70 Cb -0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 1veh h GLN 70 CO -0.07 0.07 -0.42 -0.97 -1.93 0.00 0.00 178.83 175.51 1veh h ASN 71 N 0.11 -1.05 -1.00 -0.69 -1.24 0.06 -2.55 115.58 109.22 1veh h ASN 71 Ca 0.16 0.06 0.27 0.00 0.71 0.00 0.00 56.30 57.50 1veh h ASN 71 Cb 0.22 0.31 -0.19 0.00 0.73 0.00 0.00 38.32 39.39 1veh h ASN 71 CO -0.26 -0.63 0.01 0.80 -1.29 0.00 0.00 177.43 176.05 1veh n MET 72 N -5.03 -0.08 -0.18 6.67 1.56 -0.53 0.16 117.12 119.70 1veh n MET 72 Ca -0.12 1.50 -0.01 0.00 -0.27 0.00 0.00 57.70 58.80 1veh n MET 72 Cb 0.42 -2.38 0.09 0.00 2.15 0.00 0.00 33.22 33.50 1veh n MET 72 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1veh h LEU 73 N 0.00 -0.04 -0.27 -0.89 3.38 -0.79 0.11 115.31 116.80 1veh h LEU 73 Ca 0.60 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.57 1veh h LEU 73 Cb 1.23 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1veh h LEU 73 CO -0.94 -0.00 -0.23 1.56 0.09 0.00 0.00 178.44 178.91 1veh h GLN 74 N 0.22 0.64 -0.49 1.13 4.20 0.19 -0.53 115.11 120.47 1veh h GLN 74 Ca 0.28 -0.32 0.10 0.00 0.06 0.00 0.00 58.65 58.77 1veh h GLN 74 Cb 0.41 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 1veh h GLN 74 CO -0.38 0.92 -0.08 0.35 -0.67 0.00 0.00 178.83 178.97 1veh h PHE 75 N 0.37 -0.17 0.28 2.96 3.04 0.11 -2.83 116.94 120.70 1veh h PHE 75 Ca 0.05 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1veh h PHE 75 Cb 0.79 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1veh h PHE 75 CO 0.07 -0.18 -0.14 1.88 -2.02 0.00 0.00 178.31 177.93 1veh h TYR 76 N 0.04 -0.35 -3.30 0.41 0.05 -0.83 -3.43 116.97 109.56 1veh h TYR 76 Ca 0.24 -0.01 -0.66 0.00 0.05 0.00 0.00 58.73 58.35 1veh h TYR 76 Cb 0.37 0.12 -0.30 0.00 1.01 0.00 0.00 36.73 37.93 1veh h TYR 76 CO -0.38 -0.00 -0.76 0.42 -1.05 0.00 0.00 178.16 176.38 1veh s ILE 77 N -3.75 2.98 -1.72 -2.88 1.01 -0.21 -4.97 121.20 111.67 1veh s ILE 77 Ca -0.12 -0.63 0.23 0.00 0.00 0.00 0.00 60.65 60.13 1veh s ILE 77 Cb 0.01 -2.32 0.54 0.00 0.01 0.00 0.00 42.46 40.69 1veh s ILE 77 CO 0.43 0.47 1.77 -0.81 0.00 0.00 0.00 174.94 176.79 1veh n PRO 78 N 4.61 0.54 0.00 2.79 -0.04 -1.17 -3.77 135.00 137.96 1veh n PRO 78 Ca -0.19 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1veh n PRO 78 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.14 0.00 -1.03 0.54 -0.58 -1.26 -4.84 120.64 112.33 1veh n GLU 79 Ca 0.14 0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 57.03 1veh n GLU 79 Cb 0.13 -1.21 0.07 0.00 -0.57 0.00 0.00 31.44 29.86 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 -1.99 0.43 0.04 2.62 3.14 -1.25 -4.40 118.33 116.92 1veh n VAL 80 Ca 0.00 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1veh n VAL 80 Cb 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.31 0.00 -1.33 1.45 1.02 -1.18 -4.71 120.64 116.20 1veh n GLU 81 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1veh n GLU 81 Cb 0.53 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 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 3.04 4.52 3.18 0.62 0.00 -1.26 -4.88 105.19 110.41 1veh n GLY 82 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.53 0.81 -0.10 1.61 1.01 -1.26 -2.21 120.40 118.73 1veh s VAL 83 Ca 0.00 -1.90 -0.15 0.00 0.00 0.00 0.00 61.98 59.93 1veh s VAL 83 Cb 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1veh s VAL 83 CO 0.00 -0.80 0.38 -0.70 0.00 0.00 0.00 175.10 173.98 1veh s GLU 84 N -3.63 0.57 -1.17 2.72 -6.30 -1.22 -4.93 118.70 104.74 1veh s GLU 84 Ca 0.11 0.27 -0.13 0.00 -2.50 0.00 0.00 54.97 52.72 1veh s GLU 84 Cb 0.03 0.27 0.19 0.00 0.00 0.00 0.00 34.13 34.62 1veh s GLU 84 CO -0.03 -0.12 1.36 -1.14 0.02 0.00 0.00 175.26 175.35 1veh s GLN 85 N -0.42 4.08 0.83 4.30 -0.44 -1.23 -1.57 119.66 125.21 1veh s GLN 85 Ca -0.05 -2.64 -0.11 0.00 -2.50 0.00 0.00 55.36 50.06 1veh s GLN 85 Cb -0.03 -4.97 0.10 0.00 -1.64 0.00 0.00 33.01 26.46 1veh s GLN 85 CO 0.02 -1.68 1.12 0.14 0.50 0.00 0.00 175.29 175.40 1veh s VAL 86 N 1.17 2.67 -0.01 1.34 -7.23 0.27 -4.89 120.40 113.73 1veh s VAL 86 Ca 0.40 0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.69 1veh s VAL 86 Cb -0.04 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1veh s VAL 86 CO -0.02 -0.28 0.23 -0.44 -0.31 0.00 0.00 175.10 174.28 1veh s SER 87 N -2.96 -0.10 -0.46 4.85 0.01 -1.26 -4.14 113.70 109.64 1veh s SER 87 Ca 0.65 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.92 1veh s SER 87 Cb -0.20 0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.44 1veh s SER 87 CO 0.56 -0.38 0.25 -0.83 0.41 0.00 0.00 173.24 173.25 1veh s GLY 88 N -1.23 1.83 -0.08 3.44 0.00 -1.26 -4.84 107.32 105.19 1veh s GLY 88 Ca -0.13 -2.74 -0.24 0.00 0.00 0.00 0.00 44.72 41.61 1veh s GLY 88 CO 0.03 1.45 0.88 -0.56 0.00 0.00 0.00 173.10 174.89 1veh h PRO 89 N 6.63 -0.07 -5.79 2.90 0.13 -2.00 -3.43 132.00 130.37 1veh h PRO 89 Ca -0.01 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 1veh h PRO 89 Cb 0.92 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 1veh h PRO 89 CO 0.52 0.54 1.49 0.43 -0.23 0.00 0.00 178.00 180.75 1veh n SER 90 N -4.79 1.74 -4.35 1.44 7.64 -1.26 -4.89 113.62 109.15 1veh n SER 90 Ca -0.08 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.70 1veh n SER 90 Cb 0.32 -1.22 -0.12 0.00 -1.01 0.00 0.00 64.21 62.18 1veh n SER 90 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1veh s SER 91 N 8.10 5.31 0.00 6.43 0.15 -1.26 -5.10 113.70 127.34 1veh s SER 91 Ca 1.13 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1veh s SER 91 Cb -0.89 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1veh s SER 91 CO 0.48 -0.24 0.26 0.61 1.20 0.00 0.00 173.24 175.54