#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vbv n VAL 2 N 0.00 1.41 -5.10 3.17 0.31 -1.26 -4.94 118.33 111.93 2vbv n VAL 2 Ca 0.00 -0.35 -0.28 0.00 -0.01 0.00 0.00 64.34 63.69 2vbv n VAL 2 Cb 0.00 -1.77 -0.16 0.00 -0.91 0.00 0.00 33.84 31.00 2vbv n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2vbv s LYS 3 N -1.10 1.80 -0.03 5.55 3.01 -1.26 -5.00 119.74 122.70 2vbv s LYS 3 Ca 0.61 -0.79 0.00 0.00 -1.01 0.00 0.00 55.97 54.78 2vbv s LYS 3 Cb -0.54 -1.74 0.03 0.00 -1.01 0.00 0.00 37.83 34.57 2vbv s LYS 3 CO 0.55 0.48 0.00 -0.51 0.51 0.00 0.00 175.35 176.38 2vbv s LEU 4 N -0.52 1.18 -0.09 3.17 1.43 -1.26 -1.70 118.68 120.90 2vbv s LEU 4 Ca 0.08 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2vbv s LEU 4 Cb -0.09 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 2vbv s LEU 4 CO -0.01 -0.10 -0.17 -0.32 0.23 0.00 0.00 176.35 175.98 2vbv s MET 5 N 0.99 2.92 -0.16 1.70 1.75 -0.36 -4.99 119.30 121.15 2vbv s MET 5 Ca -0.10 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.59 2vbv s MET 5 Cb -0.13 -2.42 0.03 0.00 2.84 0.00 0.00 34.83 35.14 2vbv s MET 5 CO -0.02 0.36 -0.10 0.42 -0.65 0.00 0.00 175.02 175.03 2vbv s ILE 6 N -0.07 1.39 -0.19 10.11 1.01 -1.26 -0.82 121.20 131.37 2vbv s ILE 6 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2vbv s ILE 6 Cb -0.14 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 40.95 2vbv s ILE 6 CO 0.04 0.31 -0.11 -0.63 0.00 0.00 0.00 174.94 174.55 2vbv s ILE 7 N 1.54 1.61 0.18 2.92 1.01 -0.61 -4.95 121.20 122.88 2vbv s ILE 7 Ca 0.03 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 2vbv s ILE 7 Cb -0.14 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 2vbv s ILE 7 CO -0.09 0.23 1.34 -1.61 0.00 0.00 0.00 174.94 174.81 2vbv s GLU 8 N 1.42 4.36 0.02 2.79 2.02 -1.26 -1.11 118.70 126.95 2vbv s GLU 8 Ca 0.00 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.07 2vbv s GLU 8 Cb -0.15 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2vbv s GLU 8 CO -0.09 -0.31 -0.04 0.20 0.02 0.00 0.00 175.26 175.04 2vbv s GLY 9 N 0.56 0.28 -0.13 -1.39 0.00 0.38 -4.31 107.32 102.71 2vbv s GLY 9 Ca 0.59 -0.61 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 2vbv s GLY 9 CO 0.36 -0.68 0.41 1.85 0.00 0.00 0.00 173.10 175.04 2vbv s GLU 10 N -1.46 4.30 0.18 2.90 2.12 -0.03 -1.35 118.70 125.36 2vbv s GLU 10 Ca -0.15 0.31 -0.32 0.00 0.36 0.00 0.00 54.97 55.18 2vbv s GLU 10 Cb -0.10 -3.43 -0.11 0.00 0.26 0.00 0.00 34.13 30.76 2vbv s GLU 10 CO -0.01 0.20 1.62 0.08 -0.54 0.00 0.00 175.26 176.61 2vbv s VAL 11 N 0.52 2.43 0.06 3.70 1.01 0.79 0.59 120.40 129.50 2vbv s VAL 11 Ca 0.22 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 2vbv s VAL 11 Cb -0.14 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2vbv s VAL 11 CO 0.08 0.02 0.11 0.68 0.00 0.00 0.00 175.10 175.99 2vbv s VAL 12 N 1.13 0.15 -0.03 2.92 -7.23 -1.01 -1.09 120.40 115.24 2vbv s VAL 12 Ca 0.71 -1.26 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2vbv s VAL 12 Cb -0.46 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2vbv s VAL 12 CO 0.32 -0.70 0.03 -0.44 -0.31 0.00 0.00 175.10 174.00 2vbv s SER 13 N -2.54 5.37 0.00 4.85 0.01 -1.26 -4.12 113.70 116.01 2vbv s SER 13 Ca 0.01 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2vbv s SER 13 Cb 0.03 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2vbv s SER 13 CO -0.08 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2vbv n GLY 14 N 1.59 5.19 0.67 3.44 0.00 -1.26 -5.04 105.19 109.78 2vbv n GLY 14 Ca -0.16 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.06 2vbv n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vbv n LEU 15 N 0.00 1.73 0.00 0.99 4.77 -1.26 -4.86 117.00 118.37 2vbv n LEU 15 Ca 0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 2vbv n LEU 15 Cb 0.00 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2vbv n LEU 15 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2vbv n GLY 16 N 0.32 0.64 0.09 -0.72 0.00 -1.26 -4.94 105.19 99.31 2vbv n GLY 16 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2vbv n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vbv n GLU 17 N -2.34 0.28 -0.29 1.61 1.02 -1.26 -4.12 120.64 115.55 2vbv n GLU 17 Ca 0.00 0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2vbv n GLU 17 Cb 0.03 -1.76 0.09 0.00 -0.02 0.00 0.00 31.44 29.77 2vbv n GLU 17 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2vbv h GLY 18 N 4.50 1.14 1.29 0.62 0.00 -1.92 -3.30 103.07 105.40 2vbv h GLY 18 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 2vbv h GLY 18 CO 0.00 0.36 -0.64 -0.09 0.00 0.00 0.00 176.54 176.17 2vbv h ARG 19 N 1.02 0.73 -0.46 4.80 2.43 -1.78 -2.38 114.38 118.75 2vbv h ARG 19 Ca 0.31 -0.51 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2vbv h ARG 19 Cb -0.04 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2vbv h ARG 19 CO -0.10 1.13 0.30 -0.92 -1.51 0.00 0.00 179.97 178.88 2vbv h TYR 20 N 0.53 0.53 0.08 2.20 3.20 -1.83 -1.17 116.97 120.51 2vbv h TYR 20 Ca -0.01 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 2vbv h TYR 20 Cb 1.23 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2vbv h TYR 20 CO 0.07 0.32 -1.19 0.74 -1.64 0.00 0.00 178.16 176.45 2vbv h PHE 21 N 0.56 0.30 -0.00 -3.82 0.04 -1.59 -2.84 116.94 109.59 2vbv h PHE 21 Ca 0.18 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2vbv h PHE 21 Cb 0.02 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2vbv h PHE 21 CO -0.00 1.18 -0.16 1.28 -0.60 0.00 0.00 178.31 180.01 2vbv n LEU 22 N -3.44 0.21 0.00 1.54 4.77 -0.99 -3.28 117.00 115.80 2vbv n LEU 22 Ca -0.06 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2vbv n LEU 22 Cb 1.00 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2vbv n LEU 22 CO 0.51 0.05 -0.42 0.28 -1.33 0.00 0.00 177.39 176.47 2vbv h SER 23 N 0.08 0.08 -1.17 -1.43 0.02 -1.19 -3.38 113.55 106.56 2vbv h SER 23 Ca 0.00 -0.14 -0.70 0.00 -0.84 0.00 0.00 61.79 60.11 2vbv h SER 23 Cb 0.47 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2vbv h SER 23 CO 0.00 1.12 1.24 0.18 -1.14 0.00 0.00 176.83 178.23 2vbv n LEU 24 N -3.17 2.15 -0.29 5.07 4.77 -1.08 -4.75 117.00 119.70 2vbv n LEU 24 Ca -0.15 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 2vbv n LEU 24 Cb 1.03 -1.19 0.24 0.00 -2.33 0.00 0.00 43.42 41.17 2vbv n LEU 24 CO 0.46 -0.60 1.06 -0.65 -1.33 0.00 0.00 177.39 176.33 2vbv h PRO 25 N 10.29 0.49 -0.94 3.23 0.11 -1.90 -0.12 132.00 143.16 2vbv h PRO 25 Ca -0.32 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.87 2vbv h PRO 25 Cb 1.33 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2vbv h PRO 25 CO 1.01 0.33 0.60 -1.35 -0.21 0.00 0.00 178.00 178.38 2vbv h PRO 26 N 0.51 0.90 -0.16 1.05 0.11 -1.96 0.55 132.00 133.00 2vbv h PRO 26 Ca 0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.52 2vbv h PRO 26 Cb 0.79 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2vbv h PRO 26 CO -0.43 0.60 0.03 1.88 -0.21 0.00 0.00 178.00 179.87 2vbv h TYR 27 N 0.93 0.27 -0.66 0.65 0.05 -1.33 -0.45 116.97 116.42 2vbv h TYR 27 Ca 0.45 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 59.30 2vbv h TYR 27 Cb 0.46 -0.08 -0.11 0.00 1.01 0.00 0.00 36.73 38.01 2vbv h TYR 27 CO -0.00 0.41 -0.43 0.87 -1.05 0.00 0.00 178.16 177.96 2vbv h LYS 28 N 0.05 -0.17 0.23 4.88 1.57 -0.56 -2.18 116.57 120.40 2vbv h LYS 28 Ca 0.05 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2vbv h LYS 28 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2vbv h LYS 28 CO 0.00 -0.11 -0.11 0.93 -0.57 0.00 0.00 179.45 179.59 2vbv h GLU 29 N -0.18 -0.30 -0.92 3.15 5.08 -0.87 -2.56 114.58 117.98 2vbv h GLU 29 Ca 0.20 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2vbv h GLU 29 Cb 0.56 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 2vbv h GLU 29 CO -0.74 -0.13 0.55 0.97 -1.00 0.00 0.00 179.01 178.65 2vbv h ILE 30 N -0.40 0.89 -0.09 3.13 2.10 -0.89 -0.68 117.51 121.58 2vbv h ILE 30 Ca -0.03 -0.30 -0.13 0.00 1.08 0.00 0.00 64.86 65.48 2vbv h ILE 30 Cb 0.30 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.97 2vbv h ILE 30 CO 0.05 0.16 -0.54 -0.26 -1.08 0.00 0.00 178.15 176.48 2vbv h PHE 31 N 0.87 0.31 -0.35 2.19 0.04 -1.36 0.40 116.94 119.04 2vbv h PHE 31 Ca 0.45 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 61.15 2vbv h PHE 31 Cb 0.46 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 2vbv h PHE 31 CO -0.04 0.73 0.16 -0.22 -0.60 0.00 0.00 178.31 178.34 2vbv h LYS 32 N 0.19 0.32 0.08 1.51 3.11 -1.00 -0.28 116.57 120.52 2vbv h LYS 32 Ca 0.00 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2vbv h LYS 32 Cb 1.01 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 2vbv h LYS 32 CO 0.08 0.21 -0.04 -0.22 -2.81 0.00 0.00 179.45 176.68 2vbv h LYS 33 N 0.33 -0.11 0.00 1.90 1.63 -0.74 0.29 116.57 119.87 2vbv h LYS 33 Ca 0.15 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2vbv h LYS 33 Cb 0.08 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2vbv h LYS 33 CO -0.12 0.30 -0.34 0.82 -3.45 0.00 0.00 179.45 176.66 2vbv h ILE 34 N -0.55 0.85 0.00 2.00 2.04 -0.21 -3.35 117.51 118.28 2vbv h ILE 34 Ca -0.01 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2vbv h ILE 34 Cb 0.46 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2vbv h ILE 34 CO 0.02 0.33 -0.52 0.18 0.00 0.00 0.00 178.15 178.16 2vbv n LEU 35 N -3.57 0.00 -1.26 1.44 4.77 -0.12 -5.03 117.00 113.23 2vbv n LEU 35 Ca -0.00 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 2vbv n LEU 35 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2vbv n LEU 35 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2vbv n GLY 36 N 1.50 0.25 3.51 -0.72 0.00 0.10 -5.01 105.19 104.81 2vbv n GLY 36 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2vbv n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vbv s PHE 37 N -2.77 -0.56 -0.36 1.61 -0.12 -1.23 -5.04 117.98 109.51 2vbv s PHE 37 Ca 0.11 0.83 -0.25 0.00 -0.05 0.00 0.00 56.93 57.58 2vbv s PHE 37 Cb -0.05 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.80 2vbv s PHE 37 CO 0.14 -0.59 0.86 -2.00 -0.05 0.00 0.00 175.22 173.57 2vbv s GLU 38 N -1.75 3.80 0.37 1.99 2.12 -1.26 -2.76 118.70 121.21 2vbv s GLU 38 Ca -0.06 0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.45 2vbv s GLU 38 Cb -0.00 -3.80 -0.10 0.00 0.26 0.00 0.00 34.13 30.48 2vbv s GLU 38 CO 0.03 -0.89 1.42 -1.25 -0.54 0.00 0.00 175.26 174.03 2vbv s PRO 39 N 3.28 4.12 0.53 4.30 0.04 -1.26 -4.31 135.00 141.70 2vbv s PRO 39 Ca 0.35 2.43 -0.19 0.00 0.04 0.00 0.00 61.00 63.63 2vbv s PRO 39 Cb -0.13 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 2vbv s PRO 39 CO 0.18 -0.47 0.65 0.98 0.04 0.00 0.00 177.00 178.38 2vbv n TYR 40 N 0.46 -0.21 -2.06 0.56 9.36 0.15 -4.80 117.16 120.62 2vbv n TYR 40 Ca 0.01 0.48 -0.42 0.00 3.32 0.00 0.00 57.90 61.29 2vbv n TYR 40 Cb 0.40 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.10 2vbv n TYR 40 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2vbv n GLU 41 N -0.07 3.26 -3.85 2.98 1.02 -1.26 -4.69 120.64 118.03 2vbv n GLU 41 Ca 0.12 -3.10 -0.03 0.00 -0.02 0.00 0.00 57.16 54.13 2vbv n GLU 41 Cb 0.45 -3.10 0.01 0.00 -0.02 0.00 0.00 31.44 28.78 2vbv n GLU 41 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2vbv s GLY 42 N 2.02 -0.00 -0.10 0.62 0.00 -1.26 -4.44 107.32 104.15 2vbv s GLY 42 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2vbv s GLY 42 CO -0.04 1.97 -0.08 -0.51 0.00 0.00 0.00 173.10 174.44 2vbv s THR 43 N -2.40 1.03 -0.56 0.90 -4.23 -1.26 -4.77 115.64 104.35 2vbv s THR 43 Ca 0.20 -0.32 -0.27 0.00 -1.18 0.00 0.00 61.69 60.12 2vbv s THR 43 Cb -0.02 -1.03 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 2vbv s THR 43 CO 0.04 0.36 1.63 -0.22 -0.54 0.00 0.00 174.62 175.89 2vbv s LEU 44 N 1.48 3.35 0.20 4.79 2.96 0.97 -4.73 118.68 127.71 2vbv s LEU 44 Ca 0.01 0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 54.00 2vbv s LEU 44 Cb -0.13 -2.87 -0.08 0.00 0.50 0.00 0.00 46.19 43.60 2vbv s LEU 44 CO -0.06 -1.98 1.06 0.20 -1.32 0.00 0.00 176.35 174.25 2vbv s ASN 45 N 6.00 7.36 -0.06 3.68 -0.87 -1.26 -0.42 114.94 129.37 2vbv s ASN 45 Ca 0.60 2.06 0.04 0.00 -1.57 0.00 0.00 52.86 53.99 2vbv s ASN 45 Cb -0.13 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 2vbv s ASN 45 CO 0.24 -0.13 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.71 2vbv s LEU 46 N -0.64 1.88 -0.14 0.60 1.43 -0.44 -2.40 118.68 118.97 2vbv s LEU 46 Ca 0.47 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2vbv s LEU 46 Cb -0.28 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2vbv s LEU 46 CO 0.35 0.13 0.41 -0.75 0.23 0.00 0.00 176.35 176.72 2vbv s LYS 47 N 0.24 4.30 0.03 1.70 2.20 0.20 -2.10 119.74 126.31 2vbv s LYS 47 Ca -0.09 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2vbv s LYS 47 Cb -0.14 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2vbv s LYS 47 CO 0.04 0.17 0.06 -0.51 -0.36 0.00 0.00 175.35 174.74 2vbv s LEU 48 N 0.63 3.76 0.49 5.43 1.43 0.86 -0.85 118.68 130.42 2vbv s LEU 48 Ca 0.22 0.04 0.44 0.00 -1.03 0.00 0.00 54.13 53.80 2vbv s LEU 48 Cb -0.14 -2.29 1.53 0.00 0.03 0.00 0.00 46.19 45.31 2vbv s LEU 48 CO 0.08 0.23 1.39 -0.90 0.23 0.00 0.00 176.35 177.38 2vbv n ASP 49 N 0.92 0.02 -3.63 2.29 5.68 -1.26 -4.80 116.55 115.76 2vbv n ASP 49 Ca -0.12 0.91 -0.01 0.00 -0.50 0.00 0.00 54.79 55.07 2vbv n ASP 49 Cb 0.52 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2vbv n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vbv s ARG 50 N -4.68 0.58 0.63 0.11 1.70 -1.26 -5.16 118.95 110.88 2vbv s ARG 50 Ca -0.05 -0.30 -0.18 0.00 -0.47 0.00 0.00 55.73 54.73 2vbv s ARG 50 Cb 0.24 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 2vbv s ARG 50 CO 0.79 -0.26 1.25 0.39 -1.08 0.00 0.00 175.30 176.38 2vbv n GLU 51 N -0.39 1.12 -4.59 3.89 1.02 -1.26 -4.56 120.64 115.87 2vbv n GLU 51 Ca -0.06 0.44 -0.31 0.00 -0.02 0.00 0.00 57.16 57.20 2vbv n GLU 51 Cb 0.61 -2.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.44 2vbv n GLU 51 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2vbv s PHE 52 N -1.40 2.66 -0.33 -0.32 5.36 -0.33 -4.90 117.98 118.73 2vbv s PHE 52 Ca 0.81 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.61 2vbv s PHE 52 Cb -0.39 -1.51 0.10 0.00 -0.34 0.00 0.00 43.02 40.88 2vbv s PHE 52 CO 0.42 0.29 0.07 0.34 -1.46 0.00 0.00 175.22 174.88 2vbv s ASP 53 N -1.44 4.45 0.44 6.13 -1.08 -1.26 -4.90 116.67 119.00 2vbv s ASP 53 Ca 0.16 -1.94 0.12 0.00 -0.52 0.00 0.00 52.55 50.36 2vbv s ASP 53 Cb -0.11 -1.30 0.97 0.00 -1.46 0.00 0.00 42.92 41.02 2vbv s ASP 53 CO 0.06 -0.39 2.01 -0.29 0.52 0.00 0.00 175.17 177.08 2vbv h ILE 54 N 6.55 1.11 0.00 4.11 6.09 -1.98 -3.11 117.51 130.27 2vbv h ILE 54 Ca -0.08 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2vbv h ILE 54 Cb 1.02 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.39 2vbv h ILE 54 CO 0.50 0.15 0.00 0.78 -3.07 0.00 0.00 178.15 176.51 2vbv h ASN 55 N 0.17 0.00 0.00 2.19 2.35 -2.02 -1.66 115.58 116.61 2vbv h ASN 55 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2vbv h ASN 55 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2vbv h ASN 55 CO 0.01 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.08 2vbv n LYS 56 N -2.79 0.91 -4.26 0.81 5.02 -1.18 -4.81 118.16 111.86 2vbv n LYS 56 Ca -0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 2vbv n LYS 56 Cb 0.20 -1.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 2vbv n LYS 56 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2vbv s PHE 57 N -2.00 1.29 -1.27 2.13 0.08 -0.62 -1.96 117.98 115.63 2vbv s PHE 57 Ca 0.14 -0.86 -0.08 0.00 0.12 0.00 0.00 56.93 56.26 2vbv s PHE 57 Cb 0.07 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 2vbv s PHE 57 CO 0.11 -0.02 2.81 1.17 -0.10 0.00 0.00 175.22 179.19 2vbv n LYS 58 N -0.24 3.76 -1.45 0.44 4.81 -1.26 -4.47 118.16 119.75 2vbv n LYS 58 Ca -0.08 -2.54 -0.35 0.00 -0.87 0.00 0.00 58.31 54.46 2vbv n LYS 58 Cb 0.62 -2.61 0.09 0.00 0.02 0.00 0.00 35.03 33.15 2vbv n LYS 58 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2vbv n TYR 59 N 2.61 1.59 -3.06 5.64 0.18 -1.26 -4.94 117.16 117.91 2vbv n TYR 59 Ca 0.67 0.41 -0.28 0.00 1.88 0.00 0.00 57.90 60.59 2vbv n TYR 59 Cb 0.33 -2.19 -0.02 0.00 -0.38 0.00 0.00 39.34 37.08 2vbv n TYR 59 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2vbv s ILE 60 N -1.71 4.95 -0.00 -3.48 1.09 -0.08 -4.95 121.20 117.01 2vbv s ILE 60 Ca 0.78 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 60.50 2vbv s ILE 60 Cb -0.34 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.28 2vbv s ILE 60 CO 0.45 -0.52 0.00 -0.70 -0.10 0.00 0.00 174.94 174.07 2vbv s GLU 61 N -4.00 0.03 0.04 2.79 2.12 -1.26 -1.22 118.70 117.21 2vbv s GLU 61 Ca 0.46 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.77 2vbv s GLU 61 Cb -0.10 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 2vbv s GLU 61 CO 0.34 -0.03 0.27 0.95 -0.54 0.00 0.00 175.26 176.26 2vbv s THR 62 N 0.22 5.30 0.71 -1.70 -4.23 -0.36 -4.97 115.64 110.61 2vbv s THR 62 Ca -0.02 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2vbv s THR 62 Cb -0.03 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.25 2vbv s THR 62 CO -0.01 0.25 1.25 -1.84 -0.54 0.00 0.00 174.62 173.73 2vbv n GLU 63 N 0.74 0.73 -1.53 3.99 0.28 -1.26 -4.06 120.64 119.52 2vbv n GLU 63 Ca -0.08 0.31 -0.32 0.00 -0.16 0.00 0.00 57.16 56.91 2vbv n GLU 63 Cb 0.52 -2.48 0.06 0.00 1.43 0.00 0.00 31.44 30.97 2vbv n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2vbv s ASP 64 N -1.68 4.95 0.22 -1.84 1.11 -1.26 -4.54 116.67 113.63 2vbv s ASP 64 Ca 0.79 1.84 0.11 0.00 0.18 0.00 0.00 52.55 55.47 2vbv s ASP 64 Cb -0.34 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.07 2vbv s ASP 64 CO 0.45 -1.74 -0.21 -0.36 1.18 0.00 0.00 175.17 174.49 2vbv s PHE 65 N -2.72 2.18 -0.05 4.23 0.08 -0.06 -4.97 117.98 116.67 2vbv s PHE 65 Ca 0.63 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 2vbv s PHE 65 Cb -0.17 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2vbv s PHE 65 CO 0.50 0.54 0.03 -2.00 -0.10 0.00 0.00 175.22 174.19 2vbv s GLU 66 N -3.04 0.18 0.23 0.44 2.12 -1.26 0.11 118.70 117.48 2vbv s GLU 66 Ca 0.23 0.25 -0.22 0.00 0.36 0.00 0.00 54.97 55.59 2vbv s GLU 66 Cb -0.06 -0.62 0.04 0.00 0.26 0.00 0.00 34.13 33.75 2vbv s GLU 66 CO 0.11 -0.28 0.68 -0.59 -0.54 0.00 0.00 175.26 174.63 2vbv s PHE 67 N 1.88 -0.32 -1.53 5.30 -0.12 -0.90 -4.97 117.98 117.33 2vbv s PHE 67 Ca 0.02 -0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.83 2vbv s PHE 67 Cb -0.12 0.65 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2vbv s PHE 67 CO -0.03 -1.09 0.23 0.09 -0.05 0.00 0.00 175.22 174.37 2vbv n ASN 68 N -0.43 0.08 -0.56 1.98 3.02 -1.26 -1.37 115.26 116.72 2vbv n ASN 68 Ca -0.09 -1.16 -0.07 0.00 -0.03 0.00 0.00 54.58 53.22 2vbv n ASN 68 Cb 0.61 -2.19 -0.03 0.00 -0.61 0.00 0.00 39.78 37.56 2vbv n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vbv n GLY 69 N -2.21 0.83 3.35 7.41 0.00 -1.26 -4.96 105.19 108.35 2vbv n GLY 69 Ca -0.27 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 2vbv n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vbv s LYS 70 N -2.33 1.34 -0.19 1.61 1.02 -0.47 -5.14 119.74 115.58 2vbv s LYS 70 Ca 0.00 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.46 2vbv s LYS 70 Cb 0.00 -1.29 -0.00 0.00 -0.52 0.00 0.00 37.83 36.02 2vbv s LYS 70 CO 0.00 0.24 -0.11 0.50 -0.92 0.00 0.00 175.35 175.07 2vbv s ARG 71 N -3.21 3.28 -0.34 1.68 6.06 -1.26 -2.11 118.95 123.05 2vbv s ARG 71 Ca 0.20 -0.69 -0.04 0.00 -2.50 0.00 0.00 55.73 52.70 2vbv s ARG 71 Cb -0.04 -2.79 0.06 0.00 0.06 0.00 0.00 34.95 32.24 2vbv s ARG 71 CO 0.08 -0.09 0.08 -0.06 -2.50 0.00 0.00 175.30 172.81 2vbv s PHE 72 N 1.12 3.33 0.71 5.12 0.08 0.12 -4.99 117.98 123.47 2vbv s PHE 72 Ca 0.01 -1.84 -0.12 0.00 0.12 0.00 0.00 56.93 55.10 2vbv s PHE 72 Cb -0.14 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2vbv s PHE 72 CO -0.03 -0.82 1.08 -0.06 -0.10 0.00 0.00 175.22 175.29 2vbv s PHE 73 N 1.28 2.81 0.72 0.36 0.08 -1.26 -0.88 117.98 121.09 2vbv s PHE 73 Ca -0.01 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.38 2vbv s PHE 73 Cb -0.20 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 2vbv s PHE 73 CO -0.00 -1.50 0.76 0.41 -0.10 0.00 0.00 175.22 174.79 2vbv n GLY 74 N -1.33 -0.95 3.26 4.36 0.00 -1.26 -4.78 105.19 104.49 2vbv n GLY 74 Ca 0.09 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2vbv n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vbv s VAL 75 N -1.86 1.52 -0.14 1.61 -7.23 -1.26 -2.35 120.40 110.70 2vbv s VAL 75 Ca 0.70 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2vbv s VAL 75 Cb -0.35 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2vbv s VAL 75 CO 0.54 -0.19 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.54 2vbv s LYS 76 N -2.11 3.52 0.00 4.82 1.02 -0.59 -1.23 119.74 125.19 2vbv s LYS 76 Ca 0.06 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.58 2vbv s LYS 76 Cb -0.09 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 2vbv s LYS 76 CO 0.04 0.29 -0.24 0.08 -0.92 0.00 0.00 175.35 174.60 2vbv s VAL 77 N 0.22 1.94 -0.22 3.17 1.01 -0.35 0.09 120.40 126.25 2vbv s VAL 77 Ca -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2vbv s VAL 77 Cb -0.14 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.69 2vbv s VAL 77 CO 0.03 0.46 0.14 -0.22 0.00 0.00 0.00 175.10 175.51 2vbv s LEU 78 N -0.81 0.26 0.35 3.92 2.96 -0.65 -0.91 118.68 123.80 2vbv s LEU 78 Ca 0.10 -0.71 -0.25 0.00 -0.22 0.00 0.00 54.13 53.04 2vbv s LEU 78 Cb -0.09 -0.09 -0.13 0.00 0.50 0.00 0.00 46.19 46.37 2vbv s LEU 78 CO 0.00 -0.37 0.78 -2.65 -1.32 0.00 0.00 176.35 172.79 2vbv n PRO 79 N 5.28 0.89 -2.85 0.98 -0.02 -1.26 -1.79 135.00 136.23 2vbv n PRO 79 Ca -0.06 0.32 -0.08 0.00 -2.02 0.00 0.00 63.50 61.66 2vbv n PRO 79 Cb 0.47 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 2vbv n PRO 79 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2vbv n ILE 80 N -0.32 0.00 -4.39 4.25 -5.35 -0.99 -4.80 119.36 107.77 2vbv n ILE 80 Ca 0.11 -0.96 -0.27 0.00 -0.27 0.00 0.00 62.75 61.36 2vbv n ILE 80 Cb 0.35 0.52 -0.17 0.00 -1.74 0.00 0.00 39.64 38.60 2vbv n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2vbv s LYS 81 N -2.50 1.90 -0.16 6.28 3.01 -0.75 -2.92 119.74 124.59 2vbv s LYS 81 Ca 0.16 -0.45 -0.22 0.00 -1.01 0.00 0.00 55.97 54.45 2vbv s LYS 81 Cb 0.00 -1.66 -0.02 0.00 -1.01 0.00 0.00 37.83 35.14 2vbv s LYS 81 CO 0.11 -0.07 0.69 0.42 0.51 0.00 0.00 175.35 177.01 2vbv s ILE 82 N 1.03 4.99 -0.34 2.17 1.01 0.70 -0.16 121.20 130.60 2vbv s ILE 82 Ca -0.07 1.35 -0.06 0.00 0.00 0.00 0.00 60.65 61.87 2vbv s ILE 82 Cb -0.15 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.36 2vbv s ILE 82 CO -0.01 0.12 0.10 -0.76 0.00 0.00 0.00 174.94 174.39 2vbv s LEU 83 N 1.72 4.32 -0.24 2.97 1.43 0.20 -0.25 118.68 128.83 2vbv s LEU 83 Ca 0.33 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 2vbv s LEU 83 Cb -0.16 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2vbv s LEU 83 CO 0.12 -0.33 -0.02 -0.63 0.23 0.00 0.00 176.35 175.72 2vbv s ILE 84 N 1.38 1.33 0.00 -0.59 1.01 -1.18 -2.60 121.20 120.54 2vbv s ILE 84 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2vbv s ILE 84 Cb -0.20 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2vbv s ILE 84 CO 0.02 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.36 2vbv n GLY 85 N 4.73 1.70 0.32 6.18 0.00 -1.26 -1.94 105.19 114.92 2vbv n GLY 85 Ca -0.10 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.36 2vbv n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vbv n ASN 86 N 2.67 0.94 -4.95 1.61 6.94 -1.26 -4.90 115.26 116.30 2vbv n ASN 86 Ca 0.00 -1.77 -0.23 0.00 -0.02 0.00 0.00 54.58 52.56 2vbv n ASN 86 Cb 0.00 -0.09 0.04 0.00 -2.36 0.00 0.00 39.78 37.37 2vbv n ASN 86 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2vbv s LYS 87 N -1.83 2.65 -0.47 -3.83 -0.14 -0.82 -5.09 119.74 110.22 2vbv s LYS 87 Ca 0.22 -0.48 0.06 0.00 -1.36 0.00 0.00 55.97 54.42 2vbv s LYS 87 Cb 0.11 -2.40 0.19 0.00 -1.68 0.00 0.00 37.83 34.05 2vbv s LYS 87 CO 0.17 -0.73 0.72 0.21 -0.76 0.00 0.00 175.35 174.97 2vbv s LYS 88 N -4.86 0.93 0.04 1.68 2.20 -1.26 -3.12 119.74 115.35 2vbv s LYS 88 Ca 0.55 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 2vbv s LYS 88 Cb -0.10 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 2vbv s LYS 88 CO 0.41 -1.20 0.08 0.42 -0.36 0.00 0.00 175.35 174.69 2vbv s ILE 89 N 1.24 4.63 -0.17 5.43 1.09 0.66 -4.87 121.20 129.20 2vbv s ILE 89 Ca 0.24 -0.59 -0.16 0.00 -1.10 0.00 0.00 60.65 59.04 2vbv s ILE 89 Cb -0.01 -3.18 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 2vbv s ILE 89 CO -0.06 0.23 0.40 -1.81 -0.10 0.00 0.00 174.94 173.60 2vbv s ASP 90 N -2.08 6.50 0.00 3.58 1.11 -1.26 0.25 116.67 124.77 2vbv s ASP 90 Ca 0.26 0.59 0.00 0.00 0.18 0.00 0.00 52.55 53.58 2vbv s ASP 90 Cb -0.12 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.63 2vbv s ASP 90 CO 0.18 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.12 2vbv n GLY 91 N 3.64 5.14 3.63 0.21 0.00 -1.15 -4.68 105.19 111.99 2vbv n GLY 91 Ca -0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2vbv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vbv s ALA 92 N -1.79 -1.92 -0.31 4.61 0.00 -0.76 -2.34 121.76 119.26 2vbv s ALA 92 Ca 0.00 1.89 -0.22 0.00 0.00 0.00 0.00 51.96 53.63 2vbv s ALA 92 Cb 0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 2vbv s ALA 92 CO 0.00 -0.27 0.71 0.42 0.00 0.00 0.00 175.76 176.62 2vbv s ILE 93 N 0.18 4.86 -0.12 0.00 1.01 -0.74 -1.14 121.20 125.25 2vbv s ILE 93 Ca 0.02 1.02 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 2vbv s ILE 93 Cb -0.05 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2vbv s ILE 93 CO -0.04 -0.20 0.35 0.68 0.00 0.00 0.00 174.94 175.73 2vbv s VAL 94 N 2.79 5.24 -0.36 2.92 -7.23 -0.37 -1.64 120.40 121.75 2vbv s VAL 94 Ca 0.29 0.68 0.01 0.00 -1.81 0.00 0.00 61.98 61.15 2vbv s VAL 94 Cb -0.14 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.23 2vbv s VAL 94 CO 0.12 0.42 0.12 -0.69 -0.31 0.00 0.00 175.10 174.77 2vbv s VAL 95 N 0.14 1.44 0.64 1.32 1.01 0.11 -3.82 120.40 121.24 2vbv s VAL 95 Ca 0.20 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.03 2vbv s VAL 95 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2vbv s VAL 95 CO 0.07 -0.71 1.14 -2.84 0.00 0.00 0.00 175.10 172.76 2vbv s PRO 96 N 1.07 2.81 0.15 2.72 0.02 -1.26 -1.54 135.00 138.96 2vbv s PRO 96 Ca 0.12 1.55 -0.17 0.00 0.02 0.00 0.00 61.00 62.52 2vbv s PRO 96 Cb -0.20 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.40 2vbv s PRO 96 CO -0.14 -1.27 1.77 -0.22 -0.33 0.00 0.00 177.00 176.81 2vbv h LYS 97 N 0.31 0.33 -4.89 5.54 3.64 -1.77 -3.39 116.57 116.35 2vbv h LYS 97 Ca -0.48 -0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.21 2vbv h LYS 97 Cb 1.26 -0.07 -0.34 0.00 -0.41 0.00 0.00 32.23 32.67 2vbv h LYS 97 CO 0.54 0.22 -0.77 0.21 -2.27 0.00 0.00 179.45 177.38 2vbv s LYS 98 N -6.16 2.58 0.13 1.90 2.20 -1.26 -5.11 119.74 114.02 2vbv s LYS 98 Ca -0.13 -1.14 0.05 0.00 -0.36 0.00 0.00 55.97 54.39 2vbv s LYS 98 Cb 0.11 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2vbv s LYS 98 CO 0.71 -0.47 -0.11 -0.08 -0.36 0.00 0.00 175.35 175.03 2vbv s THR 99 N 1.23 1.17 -0.81 3.43 -1.32 -1.26 -5.04 115.64 113.04 2vbv s THR 99 Ca -0.03 -1.85 0.27 0.00 -1.21 0.00 0.00 61.69 58.86 2vbv s THR 99 Cb -0.18 -1.63 0.21 0.00 -1.51 0.00 0.00 72.50 69.39 2vbv s THR 99 CO -0.05 -0.60 1.71 0.00 -2.21 0.00 0.00 174.62 173.48 2vbv n TYR 100 N 0.21 0.54 -4.12 9.09 0.18 -1.26 -4.85 117.16 116.95 2vbv n TYR 100 Ca -0.13 0.16 -0.35 0.00 1.88 0.00 0.00 57.90 59.46 2vbv n TYR 100 Cb 0.59 -0.72 -0.14 0.00 -0.38 0.00 0.00 39.34 38.69 2vbv n TYR 100 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 2vbv s HIS 101 N -3.08 2.95 0.82 -3.48 -3.43 -1.26 -5.08 115.29 102.73 2vbv s HIS 101 Ca 0.11 -0.75 -0.17 0.00 -0.80 0.00 0.00 55.06 53.44 2vbv s HIS 101 Cb 0.15 -2.05 -0.12 0.00 -1.43 0.00 0.00 32.58 29.13 2vbv s HIS 101 CO 0.61 -0.40 -0.95 -1.13 -2.00 0.00 0.00 174.74 170.87 2vbv n SER 102 N 4.39 -2.62 -1.16 7.38 3.41 -1.26 -4.79 113.62 118.97 2vbv n SER 102 Ca -0.18 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.54 2vbv n SER 102 Cb 0.51 -0.51 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 2vbv n SER 102 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vbv n SER 103 N 3.21 3.47 -0.88 4.04 3.41 -1.26 -2.98 113.62 122.63 2vbv n SER 103 Ca -0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 58.87 56.68 2vbv n SER 103 Cb 0.47 -0.24 0.24 0.00 -0.26 0.00 0.00 64.21 64.42 2vbv n SER 103 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2vbv n GLU 104 N 1.51 2.11 -3.67 4.33 -0.00 -1.26 -1.18 120.64 122.46 2vbv n GLU 104 Ca 0.19 -1.71 -0.39 0.00 -0.00 0.00 0.00 57.16 55.25 2vbv n GLU 104 Cb 0.61 -1.39 -0.12 0.00 -0.00 0.00 0.00 31.44 30.54 2vbv n GLU 104 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2vbv s ILE 105 N -1.41 4.31 -0.04 3.84 -1.09 -1.16 -0.10 121.20 125.55 2vbv s ILE 105 Ca 0.33 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2vbv s ILE 105 Cb 0.17 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2vbv s ILE 105 CO 0.23 -0.08 0.01 0.27 -1.23 0.00 0.00 174.94 174.14 2vbv s ILE 106 N 1.53 4.31 -0.24 2.92 -4.36 -0.89 -4.93 121.20 119.55 2vbv s ILE 106 Ca 0.02 -0.41 -0.09 0.00 -0.26 0.00 0.00 60.65 59.91 2vbv s ILE 106 Cb -0.18 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.61 2vbv s ILE 106 CO 0.05 0.48 0.11 -1.61 0.24 0.00 0.00 174.94 174.21 2vbv s GLU 107 N -1.28 3.89 -0.04 0.37 2.02 -1.25 -1.33 118.70 121.08 2vbv s GLU 107 Ca 0.17 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 2vbv s GLU 107 Cb -0.11 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2vbv s GLU 107 CO 0.07 -0.01 0.11 0.42 0.02 0.00 0.00 175.26 175.87 2vbv s ILE 108 N 1.19 5.01 0.07 -1.63 -1.09 0.44 -1.24 121.20 123.96 2vbv s ILE 108 Ca 0.06 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 2vbv s ILE 108 Cb -0.14 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2vbv s ILE 108 CO 0.05 0.42 -0.18 0.27 -1.23 0.00 0.00 174.94 174.26 2vbv s ILE 109 N -1.16 1.45 0.17 2.92 -4.36 -0.29 -0.02 121.20 119.90 2vbv s ILE 109 Ca 0.22 -1.33 -0.23 0.00 -0.26 0.00 0.00 60.65 59.04 2vbv s ILE 109 Cb -0.12 -1.32 0.06 0.00 1.25 0.00 0.00 42.46 42.33 2vbv s ILE 109 CO 0.12 -0.04 0.68 0.00 0.24 0.00 0.00 174.94 175.94 2vbv s ALA 110 N -1.07 -1.54 0.25 2.27 0.00 -1.26 -1.82 121.76 118.58 2vbv s ALA 110 Ca 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2vbv s ALA 110 Cb -0.09 0.81 0.30 0.00 0.00 0.00 0.00 23.12 24.13 2vbv s ALA 110 CO 0.03 -0.84 1.71 -1.00 0.00 0.00 0.00 175.76 175.66 2vbv h PRO 111 N 2.00 0.73 -6.19 0.00 0.13 -1.84 0.44 132.00 127.28 2vbv h PRO 111 Ca -0.29 -0.24 -0.55 0.00 -0.87 0.00 0.00 66.00 64.06 2vbv h PRO 111 Cb 1.28 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2vbv h PRO 111 CO 0.33 0.82 -0.35 0.00 -0.23 0.00 0.00 178.00 178.58 2vbv s MET 112 N -4.77 3.53 -0.19 0.86 0.23 -1.26 -2.02 119.30 115.67 2vbv s MET 112 Ca -0.09 -0.31 -0.29 0.00 -1.03 0.00 0.00 55.69 53.97 2vbv s MET 112 Cb 0.14 -2.86 -0.04 0.00 -1.53 0.00 0.00 34.83 30.54 2vbv s MET 112 CO 0.82 0.43 1.87 0.21 -2.03 0.00 0.00 175.02 176.31 2vbv s LYS 113 N -3.15 3.60 0.28 3.16 2.20 -1.26 -4.64 119.74 119.93 2vbv s LYS 113 Ca 0.38 1.88 0.11 0.00 -0.36 0.00 0.00 55.97 57.99 2vbv s LYS 113 Cb -0.11 -4.17 0.38 0.00 -1.51 0.00 0.00 37.83 32.41 2vbv s LYS 113 CO 0.28 -1.55 1.62 -0.07 -0.36 0.00 0.00 175.35 175.28 2vbv h LEU 114 N 12.74 0.00 -1.11 5.43 3.38 -1.97 -1.85 115.31 131.93 2vbv h LEU 114 Ca -0.38 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 2vbv h LEU 114 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2vbv h LEU 114 CO 0.98 0.60 -0.01 0.03 0.09 0.00 0.00 178.44 180.14 2vbv h ARG 115 N 0.00 0.62 0.00 1.13 3.08 -1.90 -1.57 114.38 115.73 2vbv h ARG 115 Ca -0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2vbv h ARG 115 Cb 1.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2vbv h ARG 115 CO 0.08 0.64 -0.22 0.93 -1.07 0.00 0.00 179.97 180.33 2vbv h GLU 116 N 0.58 0.00 -1.28 0.04 5.08 -1.81 0.78 114.58 117.97 2vbv h GLU 116 Ca 0.12 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.92 2vbv h GLU 116 Cb 0.38 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 2vbv h GLU 116 CO 0.01 0.00 0.80 1.96 -1.00 0.00 0.00 179.01 180.79 2vbv h GLN 117 N -0.61 0.06 0.00 2.33 1.08 -1.49 -2.84 115.11 113.64 2vbv h GLN 117 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2vbv h GLN 117 Cb 0.22 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2vbv h GLN 117 CO 0.00 0.04 0.00 1.19 -0.95 0.00 0.00 178.83 179.11 2vbv n PHE 118 N -4.80 0.00 -3.70 2.96 3.72 -0.59 -5.01 117.46 110.03 2vbv n PHE 118 Ca 0.38 -0.37 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 2vbv n PHE 118 Cb 1.42 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 39.98 2vbv n PHE 118 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2vbv n ASN 119 N -0.37 -3.78 -4.92 4.37 5.03 0.22 -4.94 115.26 110.86 2vbv n ASN 119 Ca 0.00 -0.70 -0.27 0.00 0.87 0.00 0.00 54.58 54.48 2vbv n ASN 119 Cb 0.27 -4.44 -0.02 0.00 -1.02 0.00 0.00 39.78 34.57 2vbv n ASN 119 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2vbv s LEU 120 N -6.98 4.00 -0.04 3.41 1.43 -0.89 -5.03 118.68 114.59 2vbv s LEU 120 Ca 0.36 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 2vbv s LEU 120 Cb -0.17 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.60 2vbv s LEU 120 CO 0.78 -0.26 0.47 -1.59 0.23 0.00 0.00 176.35 175.98 2vbv s LYS 121 N -3.91 0.82 0.19 1.70 -2.85 -1.26 -4.71 119.74 109.73 2vbv s LYS 121 Ca 0.43 0.05 -0.31 0.00 -1.00 0.00 0.00 55.97 55.14 2vbv s LYS 121 Cb -0.10 0.38 -0.16 0.00 -2.06 0.00 0.00 37.83 35.88 2vbv s LYS 121 CO 0.33 -0.24 0.87 -0.25 0.10 0.00 0.00 175.35 176.17 2vbv n ASP 122 N 1.22 0.18 0.00 0.03 9.92 -1.26 -1.11 116.55 125.52 2vbv n ASP 122 Ca -0.20 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 2vbv n ASP 122 Cb 0.56 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 2vbv n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vbv n GLY 123 N 1.76 3.08 3.53 0.44 0.00 -0.25 -4.99 105.19 108.75 2vbv n GLY 123 Ca 0.15 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.81 2vbv n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vbv n ASP 124 N 1.02 0.47 -4.49 1.61 8.00 -0.27 -4.48 116.55 118.41 2vbv n ASP 124 Ca 0.00 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.25 2vbv n ASP 124 Cb 0.00 -1.16 -0.11 0.00 -0.02 0.00 0.00 41.12 39.84 2vbv n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vbv s VAL 125 N -0.86 5.16 0.27 2.53 1.01 -1.26 -0.15 120.40 127.09 2vbv s VAL 125 Ca 0.64 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2vbv s VAL 125 Cb -0.82 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2vbv s VAL 125 CO 0.57 -0.12 0.21 0.27 0.00 0.00 0.00 175.10 176.03 2vbv s ILE 126 N 1.68 4.23 -0.09 2.22 -4.36 -0.46 -4.92 121.20 119.51 2vbv s ILE 126 Ca 0.05 -1.42 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 2vbv s ILE 126 Cb -0.18 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 2vbv s ILE 126 CO 0.10 -0.32 -0.03 -0.54 0.24 0.00 0.00 174.94 174.39 2vbv s LYS 127 N -3.87 3.05 -0.05 0.37 1.02 -1.07 -0.47 119.74 118.72 2vbv s LYS 127 Ca 0.34 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.91 2vbv s LYS 127 Cb -0.07 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2vbv s LYS 127 CO 0.25 0.59 -0.20 0.96 -0.92 0.00 0.00 175.35 176.04 2vbv s ILE 128 N -0.60 2.59 -0.27 2.17 -5.25 -0.27 0.60 121.20 120.17 2vbv s ILE 128 Ca 0.09 -0.89 -0.03 0.00 -0.99 0.00 0.00 60.65 58.83 2vbv s ILE 128 Cb -0.12 -1.98 0.03 0.00 2.95 0.00 0.00 42.46 43.35 2vbv s ILE 128 CO 0.02 0.58 -0.01 -0.22 -1.79 0.00 0.00 174.94 173.52 2vbv s LEU 129 N -0.53 3.53 -0.39 0.37 2.96 0.77 -1.58 118.68 123.81 2vbv s LEU 129 Ca 0.07 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.90 2vbv s LEU 129 Cb -0.11 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.88 2vbv s LEU 129 CO 0.01 -0.18 0.25 -0.63 -1.32 0.00 0.00 176.35 174.48 2vbv s ILE 130 N 1.34 4.85 -0.05 6.68 1.01 -0.00 -1.81 121.20 133.22 2vbv s ILE 130 Ca -0.01 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 2vbv s ILE 130 Cb -0.18 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2vbv s ILE 130 CO -0.02 -0.29 0.82 -0.54 0.00 0.00 0.00 174.94 174.90 2vbv s LYS 131 N 1.60 4.47 0.00 2.79 3.01 -1.26 -1.23 119.74 129.12 2vbv s LYS 131 Ca 0.03 1.09 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 2vbv s LYS 131 Cb -0.19 -3.47 0.00 0.00 -1.01 0.00 0.00 37.83 33.16 2vbv s LYS 131 CO 0.08 -0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.33 2vbv n GLY 132 N 3.07 -0.26 3.92 -3.33 0.00 -0.69 -4.93 105.19 102.97 2vbv n GLY 132 Ca 0.02 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2vbv n GLY 132 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2vbv s ASP 133 N -1.56 4.63 0.00 1.61 -4.77 -1.26 -4.68 116.67 110.64 2vbv s ASP 133 Ca 0.00 -1.28 0.19 0.00 -3.30 0.00 0.00 52.55 48.15 2vbv s ASP 133 Cb 0.00 0.57 1.12 0.00 -1.09 0.00 0.00 42.92 43.51 2vbv s ASP 133 CO 0.00 -1.20 1.51 2.29 0.70 0.00 0.00 175.17 178.47