#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 0.73 0.29 1.61 7.64 -1.26 -4.89 113.62 117.74 1veh n SER 2 Ca 0.00 0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 1veh n SER 2 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1veh n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1veh h SER 3 N 0.00 -0.66 0.00 6.43 0.87 -2.04 -3.49 113.55 114.66 1veh h SER 3 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1veh h SER 3 Cb 0.13 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1veh h SER 3 CO 0.00 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1veh n GLY 4 N -0.27 0.49 0.46 5.77 0.00 -1.26 -4.10 105.19 106.28 1veh n GLY 4 Ca -0.10 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 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 0.89 -0.97 0.00 1.61 0.87 -2.03 -3.47 113.55 110.46 1veh h SER 5 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1veh h SER 5 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1veh h SER 5 CO 0.00 -0.66 0.00 -1.54 -0.53 0.00 0.00 176.83 174.10 1veh n SER 6 N -5.56 0.00 -1.14 6.23 3.41 -1.26 -5.14 113.62 110.15 1veh n SER 6 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1veh n SER 6 Cb 0.46 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.00 -4.37 3.91 5.00 0.00 -1.26 -5.01 105.19 102.45 1veh n GLY 7 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.27 4.83 -1.19 1.61 1.04 -1.26 -5.00 113.70 113.46 1veh s SER 8 Ca 0.00 -1.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1veh s SER 8 Cb 0.00 0.08 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 1veh s SER 8 CO 0.00 -1.00 1.90 -0.62 0.98 0.00 0.00 173.24 174.50 1veh n GLU 9 N -1.77 1.88 -3.76 4.02 4.71 -1.26 -4.79 120.64 119.67 1veh n GLU 9 Ca 0.03 -2.59 -0.29 0.00 -0.01 0.00 0.00 57.16 54.31 1veh n GLU 9 Cb 0.63 -3.66 -0.12 0.00 -1.01 0.00 0.00 31.44 27.28 1veh n GLU 9 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1veh s GLU 10 N 6.00 1.77 0.28 3.49 2.12 -1.26 -5.09 118.70 126.01 1veh s GLU 10 Ca 0.65 -2.63 0.08 0.00 0.36 0.00 0.00 54.97 53.43 1veh s GLU 10 Cb 0.01 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1veh s GLU 10 CO 0.12 -1.24 0.10 -0.51 -0.54 0.00 0.00 175.26 173.19 1veh s ASP 11 N -0.50 4.91 0.63 -1.70 1.01 -1.26 -5.14 116.67 114.62 1veh s ASP 11 Ca 0.23 -0.54 0.07 0.00 0.71 0.00 0.00 52.55 53.03 1veh s ASP 11 Cb -0.12 -1.01 0.11 0.00 1.01 0.00 0.00 42.92 42.92 1veh s ASP 11 CO -0.10 -0.08 0.87 -0.67 0.21 0.00 0.00 175.17 175.40 1veh n ASP 12 N -1.05 1.92 0.23 0.27 2.03 -1.26 -4.96 116.55 113.73 1veh n ASP 12 Ca -0.06 -2.44 0.13 0.00 0.52 0.00 0.00 54.79 52.94 1veh n ASP 12 Cb 0.59 -0.49 0.31 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.12 -0.67 5.08 -2.00 -2.31 114.58 114.80 1veh h GLU 13 Ca -0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.78 1veh h GLU 13 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1veh h GLU 13 CO 0.38 0.00 -1.40 -0.24 -1.00 0.00 0.00 179.01 176.76 1veh h VAL 14 N 0.00 1.31 0.12 3.13 3.04 -1.99 -2.91 116.25 118.96 1veh h VAL 14 Ca 0.00 -2.92 -0.01 0.00 -1.01 0.00 0.00 66.70 62.76 1veh h VAL 14 Cb 0.86 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.98 1veh h VAL 14 CO 0.00 0.85 -0.06 0.58 -1.01 0.00 0.00 177.57 177.93 1veh h VAL 15 N 0.07 1.06 -0.95 1.51 2.07 -1.93 -1.54 116.25 116.55 1veh h VAL 15 Ca -0.19 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.48 1veh h VAL 15 Cb 1.99 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 33.35 1veh h VAL 15 CO 0.18 0.23 0.60 0.00 0.02 0.00 0.00 177.57 178.60 1veh h ALA 16 N 0.11 1.77 0.38 1.67 0.00 -1.55 0.39 119.26 122.02 1veh h ALA 16 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1veh h ALA 16 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1veh h ALA 16 CO 0.03 -0.04 -0.18 1.98 0.00 0.00 0.00 179.25 181.03 1veh h MET 17 N 0.75 -0.49 0.01 0.00 4.05 -1.40 -2.24 114.93 115.61 1veh h MET 17 Ca 0.49 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.96 1veh h MET 17 Cb 0.75 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 1veh h MET 17 CO -0.25 -0.22 -0.11 0.82 0.23 0.00 0.00 176.91 177.38 1veh h ILE 18 N -0.70 0.74 -0.81 1.77 2.04 -0.33 -2.15 117.51 118.07 1veh h ILE 18 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1veh h ILE 18 Cb 0.49 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 37.18 1veh h ILE 18 CO 0.08 0.00 -0.42 0.11 0.00 0.00 0.00 178.15 177.93 1veh h LYS 19 N -0.19 -0.09 0.03 2.37 1.57 -0.24 1.25 116.57 121.28 1veh h LYS 19 Ca 0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1veh h LYS 19 Cb 0.23 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1veh h LYS 19 CO -0.10 -0.06 -0.12 1.49 -0.57 0.00 0.00 179.45 180.10 1veh h GLU 20 N -0.09 -0.16 -0.08 3.15 4.22 -0.94 1.49 114.58 122.18 1veh h GLU 20 Ca 0.26 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.73 1veh h GLU 20 Cb 0.56 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1veh h GLU 20 CO -0.85 -0.11 0.43 1.25 -2.18 0.00 0.00 179.01 177.56 1veh h LEU 21 N -0.16 0.00 0.05 1.64 6.46 -0.67 2.53 115.31 125.15 1veh h LEU 21 Ca -0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.49 1veh h LEU 21 Cb 0.16 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1veh h LEU 21 CO -0.06 0.00 -1.37 -0.07 -0.62 0.00 0.00 178.44 176.32 1veh h LEU 22 N 0.00 0.17 0.09 2.25 -0.00 0.47 -3.34 115.31 114.95 1veh h LEU 22 Ca 0.04 -0.23 -0.32 0.00 -0.00 0.00 0.00 57.88 57.37 1veh h LEU 22 Cb 0.90 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 1veh h LEU 22 CO -0.00 1.19 -1.71 0.44 -0.00 0.00 0.00 178.44 178.36 1veh h ASP 23 N 0.03 0.30 0.00 -0.43 3.32 1.29 1.37 116.42 122.30 1veh h ASP 23 Ca -0.16 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1veh h ASP 23 Cb 1.93 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1veh h ASP 23 CO 0.13 1.46 0.00 0.35 -1.72 0.00 0.00 179.24 179.47 1veh n THR 24 N -3.36 0.00 -2.70 0.35 -2.24 0.73 -4.27 114.28 102.78 1veh n THR 24 Ca -0.21 0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 61.98 1veh n THR 24 Cb 1.05 -0.88 0.04 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.08 1.96 0.02 -0.78 1.85 -1.26 -4.74 116.66 113.63 1veh n ARG 25 Ca 0.00 -3.59 -0.02 0.00 -1.00 0.00 0.00 57.85 53.24 1veh n ARG 25 Cb 0.00 -1.68 -0.01 0.00 -1.05 0.00 0.00 32.46 29.73 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 1.27 -0.01 8.89 5.41 -1.21 -4.32 119.36 128.82 1veh n ILE 26 Ca 0.13 0.34 -0.13 0.00 1.00 0.00 0.00 62.75 64.10 1veh n ILE 26 Cb 0.82 -1.74 -0.08 0.00 -0.71 0.00 0.00 39.64 37.93 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 -0.21 0.07 0.00 0.38 2.43 0.16 -2.39 114.38 114.83 1veh h ARG 27 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1veh h ARG 27 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1veh h ARG 27 CO -0.00 0.40 0.00 -0.35 -1.51 0.00 0.00 179.97 178.51 1veh n PRO 28 N -4.87 0.69 -0.06 0.20 -0.04 -1.26 -2.91 135.00 126.75 1veh n PRO 28 Ca -0.07 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1veh n PRO 28 Cb 0.20 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.00 -0.43 0.52 2.02 -1.66 -3.37 112.91 109.99 1veh h THR 29 Ca 0.00 -0.86 0.13 0.00 0.77 0.00 0.00 66.41 66.45 1veh h THR 29 Cb 0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1veh h THR 29 CO 0.00 0.00 0.33 -0.37 0.37 0.00 0.00 175.52 175.85 1veh h VAL 30 N -0.86 0.73 -0.53 3.16 -1.51 -1.48 -1.79 116.25 113.97 1veh h VAL 30 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.56 1veh h VAL 30 Cb 0.35 0.77 -0.11 0.00 -2.13 0.00 0.00 31.29 30.18 1veh h VAL 30 CO 0.00 0.00 -0.34 1.56 -1.23 0.00 0.00 177.57 177.56 1veh h GLN 31 N 0.00 -0.19 -1.53 5.19 4.20 -1.65 0.55 115.11 121.69 1veh h GLN 31 Ca 0.21 0.01 0.50 0.00 0.06 0.00 0.00 58.65 59.43 1veh h GLN 31 Cb 0.86 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.56 1veh h GLN 31 CO -0.00 -0.13 1.02 0.93 -0.67 0.00 0.00 178.83 179.98 1veh h GLU 32 N -0.20 0.02 0.36 1.46 5.08 -1.49 0.88 114.58 120.68 1veh h GLU 32 Ca 0.21 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1veh h GLU 32 Cb 0.55 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1veh h GLU 32 CO -0.64 0.01 -0.17 0.22 -1.00 0.00 0.00 179.01 177.43 1veh h ASP 33 N 0.02 -0.41 0.00 1.42 1.82 -0.04 -3.48 116.42 115.74 1veh h ASP 33 Ca 0.89 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.38 1veh h ASP 33 Cb 3.04 0.10 0.00 0.00 0.68 0.00 0.00 39.33 43.16 1veh h ASP 33 CO -0.34 -0.03 0.00 0.61 -1.61 0.00 0.00 179.24 177.87 1veh n GLY 34 N -0.30 0.59 0.00 -0.78 0.00 0.31 -5.10 105.19 99.91 1veh n GLY 34 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.66 3.64 -0.02 0.00 -1.21 -4.86 105.19 102.08 1veh n GLY 35 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.36 -0.03 -0.12 1.61 2.15 -1.24 -3.92 116.67 113.75 1veh s ASP 36 Ca 0.00 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 52.86 1veh s ASP 36 Cb 0.00 0.03 -0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1veh s ASP 36 CO 0.00 -0.04 0.31 0.54 -0.17 0.00 0.00 175.17 175.81 1veh s VAL 37 N -1.58 5.27 -0.36 1.11 0.11 -1.26 -3.66 120.40 120.03 1veh s VAL 37 Ca 0.10 0.58 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 1veh s VAL 37 Cb -0.01 -3.63 0.11 0.00 -1.53 0.00 0.00 36.38 31.32 1veh s VAL 37 CO -0.05 0.45 0.13 -0.63 -3.33 0.00 0.00 175.10 171.67 1veh s ILE 38 N 0.03 1.28 -0.55 7.04 -1.09 -1.25 -4.86 121.20 121.80 1veh s ILE 38 Ca 0.18 -1.92 -0.27 0.00 -2.23 0.00 0.00 60.65 56.41 1veh s ILE 38 Cb -0.14 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1veh s ILE 38 CO 0.06 -0.73 1.80 -0.47 -1.23 0.00 0.00 174.94 174.37 1veh s TYR 39 N 1.10 1.76 -0.42 3.97 5.04 -1.26 -1.47 117.35 126.08 1veh s TYR 39 Ca 0.12 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 1veh s TYR 39 Cb -0.20 -4.13 0.13 0.00 0.35 0.00 0.00 41.96 38.11 1veh s TYR 39 CO -0.15 -2.39 0.21 1.03 -1.34 0.00 0.00 175.55 172.91 1veh s ARG 40 N 6.61 1.22 0.00 4.97 1.81 0.49 -4.96 118.95 129.09 1veh s ARG 40 Ca 0.68 -1.87 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 1veh s ARG 40 Cb -0.14 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 1veh s ARG 40 CO 0.24 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 1veh n GLY 41 N 3.77 2.66 2.65 -3.53 0.00 -1.26 -4.56 105.19 104.93 1veh n GLY 41 Ca 0.07 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.59 0.02 -0.72 1.61 5.36 -1.26 -0.21 117.98 121.19 1veh s PHE 42 Ca 0.00 -0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 55.57 1veh s PHE 42 Cb 0.00 -0.61 0.15 0.00 -0.34 0.00 0.00 43.02 42.22 1veh s PHE 42 CO 0.00 -0.62 0.77 -1.21 -1.46 0.00 0.00 175.22 172.69 1veh s GLU 43 N 2.21 3.32 0.00 10.12 0.41 -0.54 -4.81 118.70 129.40 1veh s GLU 43 Ca 0.05 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 1veh s GLU 43 Cb -0.16 -4.44 0.00 0.00 -1.78 0.00 0.00 34.13 27.75 1veh s GLU 43 CO -0.16 -1.47 0.00 -0.25 -0.49 0.00 0.00 175.26 172.89 1veh n ASP 44 N 5.44 0.00 0.00 -0.19 8.00 -1.26 -1.16 116.55 127.37 1veh n ASP 44 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1veh n ASP 44 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.00 0.00 3.56 0.44 0.00 -1.26 -4.79 105.19 103.13 1veh n GLY 45 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.85 0.03 -2.67 -0.61 -0.00 -0.31 -2.49 119.36 111.46 1veh n ILE 46 Ca 0.00 -0.66 -0.43 0.00 -0.00 0.00 0.00 62.75 61.66 1veh n ILE 46 Cb 0.25 -2.60 -0.02 0.00 -0.00 0.00 0.00 39.64 37.27 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1veh s VAL 47 N 10.97 4.53 -0.40 1.39 1.01 -0.84 -1.47 120.40 135.58 1veh s VAL 47 Ca 1.01 1.65 -0.28 0.00 0.00 0.00 0.00 61.98 64.36 1veh s VAL 47 Cb -0.29 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 1veh s VAL 47 CO 0.30 -0.47 1.59 -0.13 0.00 0.00 0.00 175.10 176.39 1veh s ARG 48 N 3.60 3.40 -0.01 2.72 0.52 0.70 -3.27 118.95 126.62 1veh s ARG 48 Ca 0.44 1.07 0.05 0.00 -0.52 0.00 0.00 55.73 56.77 1veh s ARG 48 Cb -0.12 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.21 1veh s ARG 48 CO 0.16 -1.78 -0.15 -0.51 0.02 0.00 0.00 175.30 173.03 1veh s LEU 49 N 6.26 2.04 -1.03 2.53 1.43 -0.48 0.19 118.68 129.62 1veh s LEU 49 Ca 0.68 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1veh s LEU 49 Cb -0.17 -0.79 0.31 0.00 0.03 0.00 0.00 46.19 45.58 1veh s LEU 49 CO 0.32 0.18 1.51 1.17 0.23 0.00 0.00 176.35 179.75 1veh n LYS 50 N 2.65 4.56 -3.26 1.70 4.81 -0.54 0.14 118.16 128.22 1veh n LYS 50 Ca -0.15 -4.60 -0.38 0.00 -0.87 0.00 0.00 58.31 52.31 1veh n LYS 50 Cb 0.55 -2.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.06 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 -3.13 4.37 0.04 3.14 -0.00 -1.24 -3.81 118.68 118.05 1veh s LEU 51 Ca 0.34 1.03 -0.00 0.00 -0.00 0.00 0.00 54.13 55.49 1veh s LEU 51 Cb 0.09 -2.82 -0.03 0.00 -0.00 0.00 0.00 46.19 43.43 1veh s LEU 51 CO 0.05 0.07 -0.03 -1.58 -0.00 0.00 0.00 176.35 174.86 1veh s GLN 52 N 0.06 0.48 0.00 1.48 0.74 -1.24 -4.90 119.66 116.29 1veh s GLN 52 Ca 0.29 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.77 1veh s GLN 52 Cb -0.17 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.07 1veh s GLN 52 CO 0.15 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1veh n GLY 53 N 0.82 1.04 0.13 2.59 0.00 -1.26 -3.30 105.19 105.20 1veh n GLY 53 Ca -0.19 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1veh n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1veh h SER 54 N 0.00 0.51 -3.97 1.61 4.64 -1.98 -3.45 113.55 110.91 1veh h SER 54 Ca 0.00 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1veh h SER 54 Cb 0.41 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1veh h SER 54 CO 0.00 1.58 -0.40 0.00 -0.87 0.00 0.00 176.83 177.14 1veh n THR 56 N 0.16 0.16 -0.63 0.00 5.66 -1.26 -4.49 114.28 113.88 1veh n THR 56 Ca 0.00 -0.58 0.48 0.00 -3.05 0.00 0.00 64.05 60.90 1veh n THR 56 Cb 0.00 1.29 0.76 0.00 -1.55 0.00 0.00 70.33 70.83 1veh n THR 56 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1veh n SER 57 N 1.22 0.07 -3.68 1.09 3.41 -1.26 -3.92 113.62 110.55 1veh n SER 57 Ca 0.14 1.10 -0.11 0.00 -0.26 0.00 0.00 58.87 59.74 1veh n SER 57 Cb 0.54 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1veh h PRO 59 N 7.76 0.00 0.00 0.00 0.13 -1.91 -3.28 132.00 134.70 1veh h PRO 59 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1veh h PRO 59 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1veh h PRO 59 CO 0.21 0.66 0.00 0.45 -0.23 0.00 0.00 178.00 179.09 1veh n SER 60 N -3.58 0.00 -0.46 1.44 2.88 -1.26 0.18 113.62 112.82 1veh n SER 60 Ca -0.00 0.83 0.38 0.00 -1.33 0.00 0.00 58.87 58.74 1veh n SER 60 Cb 0.69 -0.33 0.66 0.00 -0.75 0.00 0.00 64.21 64.49 1veh n SER 60 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1veh h SER 61 N 0.00 0.22 0.57 -3.46 0.02 -1.98 1.03 113.55 109.95 1veh h SER 61 Ca 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1veh h SER 61 Cb 0.00 0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1veh h SER 61 CO 0.00 -0.15 -0.27 0.40 -1.14 0.00 0.00 176.83 175.67 1veh h ILE 62 N 0.09 0.01 0.00 3.27 2.04 -1.26 1.48 117.51 123.14 1veh h ILE 62 Ca 0.81 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1veh h ILE 62 Cb 2.62 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1veh h ILE 62 CO -0.36 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.41 1veh n ILE 63 N -5.28 1.40 -0.11 -0.67 5.41 0.48 0.14 119.36 120.73 1veh n ILE 63 Ca -0.10 0.64 -0.24 0.00 1.00 0.00 0.00 62.75 64.05 1veh n ILE 63 Cb 0.30 -1.63 -0.11 0.00 -0.71 0.00 0.00 39.64 37.49 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 -1.96 1.56 -0.02 1.39 -1.04 0.32 -4.15 114.28 110.37 1veh n THR 64 Ca -0.01 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.05 61.72 1veh n THR 64 Cb 0.02 -1.90 -0.01 0.00 -1.82 0.00 0.00 70.33 66.63 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 -4.18 0.45 -0.40 -4.42 7.99 0.50 -3.02 117.00 113.93 1veh n LEU 65 Ca -0.41 0.23 -0.11 0.00 -0.01 0.00 0.00 56.01 55.71 1veh n LEU 65 Cb 0.82 -0.58 -0.10 0.00 -0.11 0.00 0.00 43.42 43.46 1veh n LEU 65 CO 0.16 -0.47 0.47 1.17 -1.51 0.00 0.00 177.39 177.21 1veh n LYS 66 N -2.89 -0.42 0.11 3.23 4.81 0.37 -0.00 118.16 123.36 1veh n LYS 66 Ca -0.02 1.46 -0.13 0.00 -0.87 0.00 0.00 58.31 58.75 1veh n LYS 66 Cb 0.09 -2.15 -0.06 0.00 0.02 0.00 0.00 35.03 32.92 1veh n LYS 66 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1veh h SER 67 N 0.00 -0.34 -1.33 3.14 0.02 -0.81 0.11 113.55 114.34 1veh h SER 67 Ca 0.15 0.03 0.40 0.00 -0.84 0.00 0.00 61.79 61.54 1veh h SER 67 Cb 0.39 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.96 1veh h SER 67 CO -0.90 -0.20 0.90 1.23 -1.14 0.00 0.00 176.83 176.72 1veh h GLY 68 N -0.28 0.82 0.01 -3.77 0.00 -0.53 0.42 103.07 99.74 1veh h GLY 68 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1veh h GLY 68 CO -0.04 -0.20 -0.24 -2.22 0.00 0.00 0.00 176.54 173.84 1veh h ILE 69 N 0.12 1.64 -0.95 2.60 2.04 0.58 -0.32 117.51 123.22 1veh h ILE 69 Ca 0.73 -2.32 0.26 0.00 1.00 0.00 0.00 64.86 64.53 1veh h ILE 69 Cb 2.45 3.18 -0.05 0.00 -0.74 0.00 0.00 36.82 41.66 1veh h ILE 69 CO -0.25 0.56 0.66 1.56 0.00 0.00 0.00 178.15 180.69 1veh h GLN 70 N -0.99 0.13 0.00 2.37 4.20 0.21 -1.17 115.11 119.86 1veh h GLN 70 Ca -0.07 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1veh h GLN 70 Cb 1.07 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1veh h GLN 70 CO -0.04 0.09 -0.75 -0.97 -0.67 0.00 0.00 178.83 176.49 1veh h ASN 71 N 0.14 0.00 -0.87 1.46 -1.24 -0.43 -3.33 115.58 111.31 1veh h ASN 71 Ca 0.47 -0.57 0.32 0.00 0.71 0.00 0.00 56.30 57.23 1veh h ASN 71 Cb 1.64 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.53 1veh h ASN 71 CO -0.08 1.22 0.29 0.80 -1.29 0.00 0.00 177.43 178.37 1veh n MET 72 N -4.52 -0.06 0.25 6.67 1.56 -0.13 0.18 117.12 121.07 1veh n MET 72 Ca -0.21 1.24 -0.10 0.00 -0.27 0.00 0.00 57.70 58.36 1veh n MET 72 Cb 0.54 -2.13 -0.05 0.00 2.15 0.00 0.00 33.22 33.74 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 -0.54 -0.91 -0.89 3.38 -1.46 0.75 115.31 115.64 1veh h LEU 73 Ca 0.66 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.76 1veh h LEU 73 Cb 1.61 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 1veh h LEU 73 CO -0.73 -0.37 0.55 1.56 0.09 0.00 0.00 178.44 179.53 1veh h GLN 74 N -0.67 0.84 0.36 1.13 4.20 -0.52 0.74 115.11 121.20 1veh h GLN 74 Ca -0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1veh h GLN 74 Cb 0.49 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1veh h GLN 74 CO 0.11 0.56 -0.42 0.35 -0.67 0.00 0.00 178.83 178.75 1veh h PHE 75 N 0.87 -1.16 0.39 2.96 3.57 0.21 -3.17 116.94 120.61 1veh h PHE 75 Ca 0.45 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 1veh h PHE 75 Cb 0.46 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1veh h PHE 75 CO -0.04 -0.57 -0.19 1.88 -2.23 0.00 0.00 178.31 177.17 1veh h TYR 76 N -0.82 -0.49 -3.63 0.41 0.05 -0.31 -3.42 116.97 108.77 1veh h TYR 76 Ca -0.03 -0.01 -0.66 0.00 0.05 0.00 0.00 58.73 58.08 1veh h TYR 76 Cb 0.75 0.16 -0.23 0.00 1.01 0.00 0.00 36.73 38.41 1veh h TYR 76 CO -0.25 -0.16 -0.62 0.42 -1.05 0.00 0.00 178.16 176.50 1veh s ILE 77 N -4.53 4.28 -1.60 -2.88 1.01 0.25 -4.95 121.20 112.78 1veh s ILE 77 Ca -0.14 -0.30 0.23 0.00 0.00 0.00 0.00 60.65 60.45 1veh s ILE 77 Cb 0.02 -3.06 0.48 0.00 0.01 0.00 0.00 42.46 39.91 1veh s ILE 77 CO 0.50 0.26 1.76 -0.81 0.00 0.00 0.00 174.94 176.65 1veh n PRO 78 N 4.92 0.45 -0.03 2.79 -0.04 -1.20 -3.21 135.00 138.68 1veh n PRO 78 Ca -0.16 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1veh n PRO 78 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -7.06 0.54 4.39 -1.90 -3.44 114.58 107.21 1veh h GLU 79 Ca 0.00 -0.06 -0.55 0.00 0.34 0.00 0.00 59.36 59.09 1veh h GLU 79 Cb 0.15 0.01 0.14 0.00 -0.10 0.00 0.00 28.75 28.94 1veh h GLU 79 CO 0.00 0.62 0.59 0.08 -1.16 0.00 0.00 179.01 179.15 1veh s VAL 80 N -4.03 2.08 0.00 3.13 1.01 -1.20 -4.29 120.40 117.11 1veh s VAL 80 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1veh s VAL 80 Cb 0.02 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1veh s VAL 80 CO 0.70 -0.00 0.00 -0.62 0.00 0.00 0.00 175.10 175.18 1veh n GLU 81 N -1.15 0.00 -3.22 2.72 -0.58 -1.04 -4.63 120.64 112.75 1veh n GLU 81 Ca 0.11 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.76 1veh n GLU 81 Cb 0.45 -0.84 -0.00 0.00 -0.57 0.00 0.00 31.44 30.49 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 3.15 1.83 3.44 0.62 0.00 -1.25 -4.89 105.19 108.09 1veh n GLY 82 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.54 1.92 -0.19 1.61 -7.23 -1.26 -1.99 120.40 110.72 1veh s VAL 83 Ca 0.17 -2.21 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 1veh s VAL 83 Cb -0.02 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.60 1veh s VAL 83 CO 0.12 -0.36 0.49 -0.70 -0.31 0.00 0.00 175.10 174.34 1veh s GLU 84 N -3.65 0.53 -1.21 4.82 -6.30 -1.20 -4.88 118.70 106.81 1veh s GLU 84 Ca 0.29 0.79 -0.14 0.00 -2.50 0.00 0.00 54.97 53.41 1veh s GLU 84 Cb 0.01 0.16 0.17 0.00 0.00 0.00 0.00 34.13 34.47 1veh s GLU 84 CO 0.12 -0.11 1.44 -1.14 0.02 0.00 0.00 175.26 175.59 1veh s GLN 85 N 0.82 4.09 0.83 4.30 -0.44 -1.23 -1.38 119.66 126.66 1veh s GLN 85 Ca -0.05 -2.58 -0.11 0.00 -2.50 0.00 0.00 55.36 50.12 1veh s GLN 85 Cb -0.05 -5.07 0.10 0.00 -1.64 0.00 0.00 33.01 26.35 1veh s GLN 85 CO -0.06 -1.77 1.13 0.14 0.50 0.00 0.00 175.29 175.23 1veh s VAL 86 N 1.59 2.56 -0.25 1.34 -7.23 0.12 -4.90 120.40 113.64 1veh s VAL 86 Ca 0.43 0.20 -0.28 0.00 -1.81 0.00 0.00 61.98 60.52 1veh s VAL 86 Cb -0.03 -2.46 0.16 0.00 0.56 0.00 0.00 36.38 34.61 1veh s VAL 86 CO 0.00 -0.23 1.23 -0.55 -0.31 0.00 0.00 175.10 175.25 1veh s SER 87 N -2.83 -0.19 0.00 4.85 0.15 -1.26 -4.17 113.70 110.24 1veh s SER 87 Ca 0.66 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1veh s SER 87 Cb -0.22 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1veh s SER 87 CO 0.55 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1veh n GLY 88 N 1.09 1.55 3.81 9.45 0.00 -1.26 -4.95 105.19 114.89 1veh n GLY 88 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.36 0.02 1.61 0.04 -1.26 -5.07 135.00 133.70 1veh s PRO 89 Ca 0.00 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1veh s PRO 89 Cb 0.00 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1veh s PRO 89 CO 0.00 -0.77 0.10 0.45 0.04 0.00 0.00 177.00 176.82 1veh s SER 90 N -2.92 0.11 0.23 6.66 0.15 -1.26 -5.17 113.70 111.50 1veh s SER 90 Ca 0.62 -0.37 -0.22 0.00 0.70 0.00 0.00 55.95 56.68 1veh s SER 90 Cb -0.15 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1veh s SER 90 CO 0.38 -0.41 0.83 -0.55 1.20 0.00 0.00 173.24 174.69 1veh s SER 91 N -1.66 -0.21 0.00 5.45 0.15 -1.26 -5.30 113.70 110.87 1veh s SER 91 Ca -0.11 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1veh s SER 91 Cb -0.06 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1veh s SER 91 CO -0.01 -1.17 0.19 0.61 1.20 0.00 0.00 173.24 174.06