#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vbv s VAL 2 N 0.00 3.69 -0.17 2.03 1.01 -1.26 -4.94 120.40 120.76 2vbv s VAL 2 Ca 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 2vbv s VAL 2 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2vbv s VAL 2 CO 0.00 -0.74 0.12 -0.54 0.00 0.00 0.00 175.10 173.94 2vbv s LYS 3 N 5.49 3.93 -0.05 2.72 -0.14 -1.26 -5.00 119.74 125.42 2vbv s LYS 3 Ca 0.66 -0.22 0.01 0.00 -1.36 0.00 0.00 55.97 55.06 2vbv s LYS 3 Cb -0.16 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 2vbv s LYS 3 CO 0.30 0.43 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.75 2vbv s LEU 4 N -0.03 1.41 -0.14 3.17 1.43 -1.26 0.05 118.68 123.31 2vbv s LEU 4 Ca 0.09 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2vbv s LEU 4 Cb -0.11 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 2vbv s LEU 4 CO -0.00 -0.03 -0.09 -0.32 0.23 0.00 0.00 176.35 176.14 2vbv s MET 5 N 0.86 3.50 -0.59 1.70 1.75 -0.13 -4.99 119.30 121.40 2vbv s MET 5 Ca -0.12 -0.62 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 2vbv s MET 5 Cb -0.15 -2.74 0.15 0.00 2.84 0.00 0.00 34.83 34.93 2vbv s MET 5 CO 0.01 0.23 0.37 0.42 -0.65 0.00 0.00 175.02 175.40 2vbv s ILE 6 N 0.34 2.46 0.23 10.11 1.01 -1.26 -0.84 121.20 133.25 2vbv s ILE 6 Ca -0.08 -3.63 -0.30 0.00 0.00 0.00 0.00 60.65 56.65 2vbv s ILE 6 Cb -0.15 -2.66 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 2vbv s ILE 6 CO 0.05 -0.93 1.15 -0.63 0.00 0.00 0.00 174.94 174.58 2vbv s ILE 7 N -0.72 3.54 -0.19 2.92 1.01 -1.01 -4.87 121.20 121.89 2vbv s ILE 7 Ca 0.21 1.40 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 2vbv s ILE 7 Cb -0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2vbv s ILE 7 CO -0.08 0.28 0.13 -1.61 0.00 0.00 0.00 174.94 173.65 2vbv s GLU 8 N -0.81 4.07 0.28 2.79 2.02 -1.26 -0.84 118.70 124.95 2vbv s GLU 8 Ca 0.49 -0.22 0.09 0.00 0.02 0.00 0.00 54.97 55.35 2vbv s GLU 8 Cb -0.32 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.48 2vbv s GLU 8 CO 0.39 0.37 -0.11 0.20 0.02 0.00 0.00 175.26 176.13 2vbv s GLY 9 N 0.16 1.86 -0.09 -1.39 0.00 0.17 -4.49 107.32 103.54 2vbv s GLY 9 Ca 0.09 -1.90 0.04 0.00 0.00 0.00 0.00 44.72 42.94 2vbv s GLY 9 CO -0.01 -1.90 -0.21 1.85 0.00 0.00 0.00 173.10 172.83 2vbv s GLU 10 N -3.64 2.72 -0.01 2.90 2.12 -0.77 -1.06 118.70 120.96 2vbv s GLU 10 Ca 0.29 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 2vbv s GLU 10 Cb 0.01 -2.09 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 2vbv s GLU 10 CO 0.13 0.14 1.72 0.08 -0.54 0.00 0.00 175.26 176.78 2vbv s VAL 11 N 0.44 3.35 0.08 3.70 1.01 -0.10 -1.04 120.40 127.84 2vbv s VAL 11 Ca -0.17 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2vbv s VAL 11 Cb -0.17 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2vbv s VAL 11 CO 0.07 -0.04 -0.13 0.68 0.00 0.00 0.00 175.10 175.69 2vbv s VAL 12 N 3.85 1.07 0.45 2.92 -7.23 -0.74 -0.16 120.40 120.57 2vbv s VAL 12 Ca 0.77 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2vbv s VAL 12 Cb -0.37 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2vbv s VAL 12 CO 0.33 -0.31 0.74 -0.44 -0.31 0.00 0.00 175.10 175.11 2vbv s SER 13 N -1.91 6.27 0.00 4.85 0.01 -1.26 -3.85 113.70 117.81 2vbv s SER 13 Ca -0.00 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2vbv s SER 13 Cb -0.08 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2vbv s SER 13 CO 0.02 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2vbv n GLY 14 N -2.15 5.08 0.00 3.44 0.00 -1.26 -5.03 105.19 105.27 2vbv n GLY 14 Ca -0.00 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -0.09 0.99 7.99 -1.26 -4.86 117.00 119.77 2vbv n LEU 15 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 2vbv n LEU 15 Cb 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2vbv n LEU 15 CO 0.00 0.00 -0.01 0.61 -1.51 0.00 0.00 177.39 176.48 2vbv n GLY 16 N 0.35 0.50 0.31 -0.72 0.00 -1.26 -4.94 105.19 99.43 2vbv n GLY 16 Ca 0.04 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2vbv n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vbv h GLU 17 N 0.46 0.11 0.34 1.61 3.07 -1.99 -3.18 114.58 114.99 2vbv h GLU 17 Ca -0.02 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2vbv h GLU 17 Cb 0.13 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2vbv h GLU 17 CO 0.03 0.07 -0.16 0.78 -1.40 0.00 0.00 179.01 178.33 2vbv h GLY 18 N 0.11 -0.47 2.00 -3.84 0.00 -1.90 -2.87 103.07 96.09 2vbv h GLY 18 Ca 0.52 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.96 2vbv h GLY 18 CO -0.74 -0.17 -0.29 -0.09 0.00 0.00 0.00 176.54 175.25 2vbv h ARG 19 N -0.53 0.00 0.47 4.80 2.43 -1.72 0.69 114.38 120.52 2vbv h ARG 19 Ca -0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2vbv h ARG 19 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2vbv h ARG 19 CO 0.08 0.29 -0.22 -0.92 -1.51 0.00 0.00 179.97 177.68 2vbv h TYR 20 N 0.00 -0.58 -0.54 2.20 3.20 -1.57 -3.13 116.97 116.55 2vbv h TYR 20 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2vbv h TYR 20 Cb 0.64 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2vbv h TYR 20 CO 0.00 -0.28 -0.04 0.74 -1.64 0.00 0.00 178.16 176.95 2vbv h PHE 21 N -1.06 1.08 0.00 -3.82 0.04 -1.26 -2.08 116.94 109.84 2vbv h PHE 21 Ca -0.06 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.50 2vbv h PHE 21 Cb 0.56 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2vbv h PHE 21 CO 0.01 0.99 0.00 1.28 -0.60 0.00 0.00 178.31 180.00 2vbv n LEU 22 N -4.23 0.00 0.10 1.54 4.77 0.21 -2.63 117.00 116.76 2vbv n LEU 22 Ca 0.02 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2vbv n LEU 22 Cb 0.36 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2vbv n LEU 22 CO 0.44 -0.03 0.31 -1.28 -1.33 0.00 0.00 177.39 175.50 2vbv h SER 23 N 0.00 0.02 -2.80 -1.43 0.87 -1.31 -3.41 113.55 105.49 2vbv h SER 23 Ca 0.00 -0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.99 2vbv h SER 23 Cb 0.09 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2vbv h SER 23 CO 0.00 0.82 0.98 -0.76 -0.53 0.00 0.00 176.83 177.34 2vbv s LEU 24 N -7.17 4.22 0.28 2.23 1.43 -1.08 -4.88 118.68 113.71 2vbv s LEU 24 Ca -0.00 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 2vbv s LEU 24 Cb 0.11 -3.54 0.64 0.00 0.03 0.00 0.00 46.19 43.44 2vbv s LEU 24 CO 0.79 -0.84 1.62 -0.65 0.23 0.00 0.00 176.35 177.50 2vbv h PRO 25 N 8.78 0.11 -0.38 1.29 0.11 -1.90 0.69 132.00 140.70 2vbv h PRO 25 Ca -0.31 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.87 2vbv h PRO 25 Cb 1.13 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2vbv h PRO 25 CO 0.97 0.07 -0.22 -1.00 -0.21 0.00 0.00 178.00 177.61 2vbv h PRO 26 N 0.11 -0.15 -0.04 1.05 0.13 -1.96 1.85 132.00 132.99 2vbv h PRO 26 Ca 0.52 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.65 2vbv h PRO 26 Cb 1.03 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2vbv h PRO 26 CO -0.74 -0.10 -0.01 1.88 -0.23 0.00 0.00 178.00 178.80 2vbv h TYR 27 N -0.16 0.09 -1.03 1.56 0.05 -1.68 -1.64 116.97 114.16 2vbv h TYR 27 Ca 0.19 -0.02 0.28 0.00 0.05 0.00 0.00 58.73 59.22 2vbv h TYR 27 Cb 0.45 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.04 2vbv h TYR 27 CO -0.45 0.45 0.62 -0.22 -1.05 0.00 0.00 178.16 177.51 2vbv h LYS 28 N -0.29 0.44 0.01 4.88 3.64 0.11 -1.58 116.57 123.78 2vbv h LYS 28 Ca 0.01 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 2vbv h LYS 28 Cb 0.42 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2vbv h LYS 28 CO 0.00 0.29 -1.31 0.93 -2.27 0.00 0.00 179.45 177.09 2vbv h GLU 29 N 0.45 0.02 0.01 1.90 5.08 0.29 -3.26 114.58 119.07 2vbv h GLU 29 Ca 0.67 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.79 2vbv h GLU 29 Cb 1.47 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2vbv h GLU 29 CO -0.47 0.82 -0.92 0.97 -1.00 0.00 0.00 179.01 178.41 2vbv h ILE 30 N 0.01 1.59 -0.17 3.13 6.09 -0.35 -2.92 117.51 124.89 2vbv h ILE 30 Ca -0.13 -2.95 -0.15 0.00 -1.37 0.00 0.00 64.86 60.26 2vbv h ILE 30 Cb 1.88 2.63 0.00 0.00 0.47 0.00 0.00 36.82 41.81 2vbv h ILE 30 CO 0.11 0.85 -0.47 -0.26 -3.07 0.00 0.00 178.15 175.31 2vbv h PHE 31 N 0.03 0.81 -0.50 2.19 0.04 -1.52 -2.03 116.94 115.96 2vbv h PHE 31 Ca -0.03 -0.32 0.10 0.00 2.80 0.00 0.00 57.97 60.52 2vbv h PHE 31 Cb 1.60 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 39.51 2vbv h PHE 31 CO 0.01 1.09 -0.18 -0.22 -0.60 0.00 0.00 178.31 178.41 2vbv h LYS 32 N 0.29 -0.06 0.06 1.51 3.64 -1.59 0.58 116.57 120.99 2vbv h LYS 32 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2vbv h LYS 32 Cb 1.09 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2vbv h LYS 32 CO 0.10 -0.04 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.70 2vbv h LYS 33 N -0.07 -0.42 -0.53 1.90 3.64 -1.33 0.54 116.57 120.30 2vbv h LYS 33 Ca 0.24 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2vbv h LYS 33 Cb 0.43 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2vbv h LYS 33 CO -0.55 -0.28 0.23 0.82 -2.27 0.00 0.00 179.45 177.40 2vbv h ILE 34 N -0.44 1.21 0.00 2.00 2.04 -1.09 -3.32 117.51 117.92 2vbv h ILE 34 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2vbv h ILE 34 Cb 0.45 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2vbv h ILE 34 CO -0.18 0.24 -1.34 0.18 0.00 0.00 0.00 178.15 177.05 2vbv n LEU 35 N -4.55 0.49 -3.46 1.44 4.77 0.20 -4.99 117.00 110.90 2vbv n LEU 35 Ca 0.02 -0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.50 2vbv n LEU 35 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2vbv n LEU 35 CO 0.38 0.12 0.23 0.61 -1.33 0.00 0.00 177.39 177.40 2vbv n GLY 36 N 1.42 -0.48 3.47 -0.72 0.00 0.19 -5.00 105.19 104.07 2vbv n GLY 36 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.31 -0.50 -0.45 1.61 -0.12 -1.25 -5.06 117.98 108.89 2vbv s PHE 37 Ca 0.53 0.47 -0.24 0.00 -0.05 0.00 0.00 56.93 57.63 2vbv s PHE 37 Cb -0.23 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.70 2vbv s PHE 37 CO 0.70 -0.70 0.87 -2.00 -0.05 0.00 0.00 175.22 174.04 2vbv s GLU 38 N -2.94 3.49 0.52 1.99 2.12 -1.26 -3.39 118.70 119.23 2vbv s GLU 38 Ca -0.00 0.07 -0.22 0.00 0.36 0.00 0.00 54.97 55.17 2vbv s GLU 38 Cb -0.01 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.39 2vbv s GLU 38 CO -0.07 -1.17 1.14 -2.30 -0.54 0.00 0.00 175.26 172.32 2vbv n PRO 39 N 6.98 1.40 -1.74 4.30 -0.02 -1.26 -4.46 135.00 140.19 2vbv n PRO 39 Ca 0.05 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 2vbv n PRO 39 Cb 0.48 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2vbv n PRO 39 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2vbv s TYR 40 N -1.35 2.22 -1.06 6.00 6.14 0.26 -4.90 117.35 124.66 2vbv s TYR 40 Ca 0.70 1.54 -0.20 0.00 0.64 0.00 0.00 57.07 59.75 2vbv s TYR 40 Cb -0.46 -3.51 0.10 0.00 0.42 0.00 0.00 41.96 38.51 2vbv s TYR 40 CO 0.51 -2.48 1.39 -1.21 0.64 0.00 0.00 175.55 174.41 2vbv s GLU 41 N -3.58 3.72 0.00 4.97 2.02 -1.26 -4.74 118.70 119.83 2vbv s GLU 41 Ca 0.77 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2vbv s GLU 41 Cb -0.31 -5.21 0.00 0.00 0.10 0.00 0.00 34.13 28.72 2vbv s GLU 41 CO 0.39 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 174.06 2vbv n GLY 42 N 5.84 2.33 3.16 -1.39 0.00 -1.26 -4.23 105.19 109.65 2vbv n GLY 42 Ca 0.33 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 2vbv n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vbv s THR 43 N -2.00 1.27 -0.48 2.61 -4.23 -1.26 -4.72 115.64 106.83 2vbv s THR 43 Ca 0.00 -0.92 -0.23 0.00 -1.18 0.00 0.00 61.69 59.36 2vbv s THR 43 Cb 0.00 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.77 2vbv s THR 43 CO 0.00 0.17 0.79 -0.22 -0.54 0.00 0.00 174.62 174.82 2vbv s LEU 44 N -0.87 4.34 -0.15 4.79 2.96 0.15 -4.86 118.68 125.03 2vbv s LEU 44 Ca 0.04 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.39 2vbv s LEU 44 Cb -0.07 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 2vbv s LEU 44 CO 0.01 -0.98 0.84 0.20 -1.32 0.00 0.00 176.35 175.09 2vbv s ASN 45 N 2.38 6.99 -0.08 3.68 -0.87 -1.25 -0.65 114.94 125.14 2vbv s ASN 45 Ca 0.27 1.21 0.05 0.00 -1.57 0.00 0.00 52.86 52.82 2vbv s ASN 45 Cb -0.13 -2.46 -0.01 0.00 -0.02 0.00 0.00 41.25 38.63 2vbv s ASN 45 CO 0.20 -0.38 -0.24 -0.76 -2.57 0.00 0.00 177.10 173.35 2vbv s LEU 46 N 2.01 2.11 -0.37 0.60 1.43 0.12 -1.80 118.68 122.78 2vbv s LEU 46 Ca 0.39 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 2vbv s LEU 46 Cb -0.17 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2vbv s LEU 46 CO 0.14 0.20 0.76 -0.75 0.23 0.00 0.00 176.35 176.92 2vbv s LYS 47 N 0.12 3.69 0.40 1.70 2.20 -0.21 -1.03 119.74 126.61 2vbv s LYS 47 Ca -0.12 0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 2vbv s LYS 47 Cb -0.16 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.32 2vbv s LYS 47 CO 0.07 -0.87 0.60 -0.51 -0.36 0.00 0.00 175.35 174.28 2vbv s LEU 48 N 3.05 3.79 0.16 5.43 1.43 0.14 -1.85 118.68 130.83 2vbv s LEU 48 Ca 0.30 0.20 0.13 0.00 -1.03 0.00 0.00 54.13 53.73 2vbv s LEU 48 Cb -0.13 -3.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 2vbv s LEU 48 CO 0.17 -0.57 1.20 -2.24 0.23 0.00 0.00 176.35 175.14 2vbv h ASP 49 N 0.58 0.00 -1.08 2.29 2.03 -1.83 -3.46 116.42 114.95 2vbv h ASP 49 Ca -0.47 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.20 2vbv h ASP 49 Cb 1.25 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.63 2vbv h ASP 49 CO 0.57 0.69 -0.53 0.00 -1.03 0.00 0.00 179.24 178.94 2vbv s ARG 50 N -2.86 2.11 0.32 4.15 1.70 -1.26 -5.12 118.95 117.99 2vbv s ARG 50 Ca 0.01 -2.17 -0.21 0.00 -0.47 0.00 0.00 55.73 52.89 2vbv s ARG 50 Cb 0.08 -1.69 -0.09 0.00 -0.57 0.00 0.00 34.95 32.68 2vbv s ARG 50 CO 0.79 -0.22 0.84 -1.21 -1.08 0.00 0.00 175.30 174.41 2vbv s GLU 51 N -3.85 4.29 -0.15 3.89 2.02 -1.26 -4.60 118.70 119.05 2vbv s GLU 51 Ca 0.25 1.01 -0.08 0.00 0.02 0.00 0.00 54.97 56.17 2vbv s GLU 51 Cb 0.05 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2vbv s GLU 51 CO 0.13 0.22 0.14 0.12 0.02 0.00 0.00 175.26 175.89 2vbv s PHE 52 N -1.78 3.54 -0.19 1.61 5.36 -0.07 -4.92 117.98 121.53 2vbv s PHE 52 Ca 0.51 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 2vbv s PHE 52 Cb -0.14 -2.01 0.04 0.00 -0.34 0.00 0.00 43.02 40.57 2vbv s PHE 52 CO 0.19 0.59 -0.08 0.34 -1.46 0.00 0.00 175.22 174.80 2vbv s ASP 53 N -0.58 3.20 0.19 6.13 2.15 -1.26 -4.85 116.67 121.66 2vbv s ASP 53 Ca 0.13 -0.82 0.25 0.00 0.43 0.00 0.00 52.55 52.54 2vbv s ASP 53 Cb -0.12 -1.11 0.55 0.00 -0.30 0.00 0.00 42.92 41.94 2vbv s ASP 53 CO 0.02 -0.16 1.55 -0.29 -0.17 0.00 0.00 175.17 176.11 2vbv h ILE 54 N 6.40 0.00 0.00 4.11 2.10 -1.98 -3.30 117.51 124.84 2vbv h ILE 54 Ca -0.26 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.13 2vbv h ILE 54 Cb 1.10 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2vbv h ILE 54 CO 0.45 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.11 2vbv n ASN 55 N -2.29 0.43 -1.40 2.19 3.02 -1.26 -2.13 115.26 113.82 2vbv n ASN 55 Ca 0.04 0.59 -0.06 0.00 -0.03 0.00 0.00 54.58 55.12 2vbv n ASN 55 Cb 0.45 -0.69 0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2vbv n ASN 55 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2vbv n LYS 56 N -1.96 1.97 -4.16 3.52 2.85 -1.24 -4.93 118.16 114.21 2vbv n LYS 56 Ca 0.03 -1.36 -0.11 0.00 -1.05 0.00 0.00 58.31 55.82 2vbv n LYS 56 Cb 0.25 -1.64 -0.09 0.00 -0.65 0.00 0.00 35.03 32.90 2vbv n LYS 56 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2vbv s PHE 57 N -1.58 1.01 -1.23 5.58 0.08 -0.91 -3.81 117.98 117.12 2vbv s PHE 57 Ca 0.25 -1.26 -0.13 0.00 0.12 0.00 0.00 56.93 55.91 2vbv s PHE 57 Cb 0.20 -0.43 0.16 0.00 -0.57 0.00 0.00 43.02 42.39 2vbv s PHE 57 CO 0.06 -0.70 1.54 1.17 -0.10 0.00 0.00 175.22 177.19 2vbv n LYS 58 N -0.28 3.38 -3.63 0.44 4.81 -0.53 -4.78 118.16 117.56 2vbv n LYS 58 Ca 0.01 -3.73 -0.20 0.00 -0.87 0.00 0.00 58.31 53.52 2vbv n LYS 58 Cb 0.65 -3.07 -0.01 0.00 0.02 0.00 0.00 35.03 32.61 2vbv n LYS 58 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2vbv s TYR 59 N 1.68 3.11 -0.40 5.64 -0.85 -1.26 -4.80 117.35 120.47 2vbv s TYR 59 Ca 0.44 -0.21 -0.00 0.00 -0.52 0.00 0.00 57.07 56.77 2vbv s TYR 59 Cb -0.00 -1.87 0.11 0.00 0.38 0.00 0.00 41.96 40.57 2vbv s TYR 59 CO 0.01 0.11 0.16 0.42 -1.52 0.00 0.00 175.55 174.73 2vbv s ILE 60 N -2.18 2.92 0.52 -3.49 1.01 0.12 -4.94 121.20 115.16 2vbv s ILE 60 Ca 0.42 -2.24 -0.21 0.00 0.00 0.00 0.00 60.65 58.63 2vbv s ILE 60 Cb -0.09 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 2vbv s ILE 60 CO 0.30 -0.67 1.18 -1.61 0.00 0.00 0.00 174.94 174.13 2vbv s GLU 61 N 0.96 3.40 0.33 2.79 2.02 -1.26 -1.14 118.70 125.81 2vbv s GLU 61 Ca 0.10 1.76 0.04 0.00 0.02 0.00 0.00 54.97 56.89 2vbv s GLU 61 Cb -0.21 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 2vbv s GLU 61 CO -0.05 -0.85 0.06 0.95 0.02 0.00 0.00 175.26 175.39 2vbv s THR 62 N -1.62 1.19 0.72 3.63 -4.23 -0.55 -4.95 115.64 109.83 2vbv s THR 62 Ca 0.70 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.14 2vbv s THR 62 Cb -0.28 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 70.84 2vbv s THR 62 CO 0.32 0.00 1.04 -1.83 -0.54 0.00 0.00 174.62 173.61 2vbv s GLU 63 N -3.88 2.20 0.75 3.99 1.03 -1.26 -4.30 118.70 117.23 2vbv s GLU 63 Ca 0.36 -0.17 -0.02 0.00 0.03 0.00 0.00 54.97 55.17 2vbv s GLU 63 Cb 0.08 -2.13 0.14 0.00 -0.80 0.00 0.00 34.13 31.42 2vbv s GLU 63 CO 0.15 -1.27 1.04 -0.51 -1.33 0.00 0.00 175.26 173.34 2vbv s ASP 64 N -4.51 4.18 0.07 0.83 1.11 -1.26 -3.79 116.67 113.29 2vbv s ASP 64 Ca 0.60 -0.33 -0.26 0.00 0.18 0.00 0.00 52.55 52.75 2vbv s ASP 64 Cb -0.11 0.00 0.09 0.00 1.07 0.00 0.00 42.92 43.97 2vbv s ASP 64 CO 0.46 -1.98 1.18 0.72 1.18 0.00 0.00 175.17 176.73 2vbv s PHE 65 N -3.23 0.05 -0.03 4.23 -0.71 -0.02 -4.96 117.98 113.31 2vbv s PHE 65 Ca 0.67 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 56.30 2vbv s PHE 65 Cb -0.05 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 2vbv s PHE 65 CO 0.45 -0.55 -0.09 -1.83 -1.34 0.00 0.00 175.22 171.86 2vbv s GLU 66 N -2.04 0.98 0.01 1.99 1.03 -1.26 -0.67 118.70 118.73 2vbv s GLU 66 Ca 0.27 -0.31 0.05 0.00 0.03 0.00 0.00 54.97 55.02 2vbv s GLU 66 Cb -0.02 -0.91 -0.02 0.00 -0.80 0.00 0.00 34.13 32.39 2vbv s GLU 66 CO 0.02 0.11 -0.17 0.12 -1.33 0.00 0.00 175.26 174.01 2vbv s PHE 67 N 0.21 1.49 -0.94 4.83 5.36 0.78 -4.86 117.98 124.85 2vbv s PHE 67 Ca -0.03 -0.31 -0.27 0.00 -0.96 0.00 0.00 56.93 55.36 2vbv s PHE 67 Cb -0.09 -0.93 0.04 0.00 -0.34 0.00 0.00 43.02 41.70 2vbv s PHE 67 CO 0.01 0.01 0.53 -1.71 -1.46 0.00 0.00 175.22 172.59 2vbv n ASN 68 N 2.40 -3.21 -1.29 6.13 5.15 -1.26 -3.45 115.26 119.73 2vbv n ASN 68 Ca -0.16 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2vbv n ASN 68 Cb 0.54 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 2vbv n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vbv n GLY 69 N -1.84 -2.00 7.00 8.20 0.00 -1.26 -5.04 105.19 110.25 2vbv n GLY 69 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2vbv n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vbv n LYS 70 N -0.10 0.00 -3.82 1.61 5.02 -1.22 -5.05 118.16 114.60 2vbv n LYS 70 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2vbv n LYS 70 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2vbv n LYS 70 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2vbv s ARG 71 N 0.00 3.52 -0.05 1.97 6.06 -1.26 -0.15 118.95 129.03 2vbv s ARG 71 Ca 0.00 -0.20 -0.04 0.00 -2.50 0.00 0.00 55.73 52.99 2vbv s ARG 71 Cb 0.00 -3.06 0.02 0.00 0.06 0.00 0.00 34.95 31.96 2vbv s ARG 71 CO 0.00 0.64 0.13 -0.06 -2.50 0.00 0.00 175.30 173.51 2vbv s PHE 72 N -1.35 -0.14 0.00 5.12 0.08 0.16 -4.87 117.98 116.97 2vbv s PHE 72 Ca 0.29 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.70 2vbv s PHE 72 Cb -0.13 0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.35 2vbv s PHE 72 CO 0.19 -0.08 0.00 1.19 -0.10 0.00 0.00 175.22 176.41 2vbv n PHE 73 N 3.21 0.00 -4.24 0.36 3.72 -1.26 -0.85 117.46 118.41 2vbv n PHE 73 Ca -0.15 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.09 2vbv n PHE 73 Cb 0.58 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.98 2vbv n PHE 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2vbv s GLY 74 N -0.12 0.43 0.37 1.37 0.00 -1.25 -4.49 107.32 103.64 2vbv s GLY 74 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.34 2vbv s GLY 74 CO 0.00 -0.42 0.44 -1.34 0.00 0.00 0.00 173.10 171.78 2vbv s VAL 75 N -0.47 3.40 -0.40 1.40 -7.23 -1.26 -4.58 120.40 111.26 2vbv s VAL 75 Ca 0.00 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2vbv s VAL 75 Cb -0.05 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.74 2vbv s VAL 75 CO 0.00 -0.09 0.32 -0.54 -0.31 0.00 0.00 175.10 174.48 2vbv s LYS 76 N -4.18 3.06 0.04 4.82 1.02 -0.76 -1.48 119.74 122.25 2vbv s LYS 76 Ca 0.48 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.49 2vbv s LYS 76 Cb -0.08 -3.95 -0.05 0.00 -0.52 0.00 0.00 37.83 33.23 2vbv s LYS 76 CO 0.30 -0.73 0.28 0.08 -0.92 0.00 0.00 175.35 174.36 2vbv s VAL 77 N 1.76 5.29 -0.21 3.17 1.01 -0.29 -0.42 120.40 130.72 2vbv s VAL 77 Ca 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2vbv s VAL 77 Cb -0.18 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.71 2vbv s VAL 77 CO 0.11 0.28 0.27 -0.22 0.00 0.00 0.00 175.10 175.54 2vbv s LEU 78 N -2.00 -0.27 0.47 3.92 2.96 0.59 0.12 118.68 124.46 2vbv s LEU 78 Ca 0.31 -0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 2vbv s LEU 78 Cb -0.13 0.61 -0.08 0.00 0.50 0.00 0.00 46.19 47.10 2vbv s LEU 78 CO 0.19 -0.31 1.12 -2.16 -1.32 0.00 0.00 176.35 173.87 2vbv s PRO 79 N 2.39 3.77 0.26 0.98 0.04 -1.26 -0.14 135.00 141.05 2vbv s PRO 79 Ca 0.08 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 2vbv s PRO 79 Cb -0.15 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 2vbv s PRO 79 CO -0.13 -0.51 0.47 0.96 0.04 0.00 0.00 177.00 177.83 2vbv s ILE 80 N -1.66 0.00 0.11 0.56 -4.36 -1.09 -4.72 121.20 110.04 2vbv s ILE 80 Ca 0.64 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.65 2vbv s ILE 80 Cb -0.25 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2vbv s ILE 80 CO 0.30 0.00 -0.13 -0.54 0.24 0.00 0.00 174.94 174.81 2vbv s LYS 81 N -3.82 1.99 -0.20 0.37 1.02 -0.74 -2.11 119.74 116.26 2vbv s LYS 81 Ca 0.25 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.12 2vbv s LYS 81 Cb -0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2vbv s LYS 81 CO 0.11 0.49 -0.12 0.42 -0.92 0.00 0.00 175.35 175.33 2vbv s ILE 82 N -1.22 2.77 -0.45 2.17 1.01 0.28 0.33 121.20 126.08 2vbv s ILE 82 Ca 0.20 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 2vbv s ILE 82 Cb -0.11 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.26 2vbv s ILE 82 CO 0.12 0.48 0.31 -0.76 0.00 0.00 0.00 174.94 175.09 2vbv s LEU 83 N 1.33 5.56 -0.39 2.97 1.43 -0.62 -0.11 118.68 128.85 2vbv s LEU 83 Ca 0.04 -1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 51.17 2vbv s LEU 83 Cb -0.14 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.21 2vbv s LEU 83 CO -0.07 -0.65 0.19 -0.63 0.23 0.00 0.00 176.35 175.42 2vbv s ILE 84 N 1.31 3.56 0.00 -0.59 1.01 -1.19 -2.36 121.20 122.94 2vbv s ILE 84 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.01 2vbv s ILE 84 Cb -0.25 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2vbv s ILE 84 CO -0.01 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2vbv n GLY 85 N 4.71 3.28 0.19 6.18 0.00 -1.26 -2.51 105.19 115.78 2vbv n GLY 85 Ca -0.07 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.90 2vbv n GLY 85 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2vbv h ASN 86 N 1.30 0.00 -3.80 1.61 -1.24 -2.01 -3.45 115.58 107.99 2vbv h ASN 86 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2vbv h ASN 86 Cb 0.00 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.10 2vbv h ASN 86 CO 0.00 0.00 0.21 -0.54 -1.29 0.00 0.00 177.43 175.81 2vbv s LYS 87 N -3.27 3.19 -0.42 6.67 -0.14 -1.04 -5.07 119.74 119.65 2vbv s LYS 87 Ca 0.07 0.20 0.06 0.00 -1.36 0.00 0.00 55.97 54.94 2vbv s LYS 87 Cb 0.08 -2.25 0.21 0.00 -1.68 0.00 0.00 37.83 34.19 2vbv s LYS 87 CO 0.59 -0.57 0.49 1.17 -0.76 0.00 0.00 175.35 176.28 2vbv n LYS 88 N -2.55 0.47 -2.82 1.68 4.81 -1.26 -3.14 118.16 115.35 2vbv n LYS 88 Ca 0.04 -2.97 -0.35 0.00 -0.87 0.00 0.00 58.31 54.16 2vbv n LYS 88 Cb 0.56 -1.46 -0.07 0.00 0.02 0.00 0.00 35.03 34.09 2vbv n LYS 88 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2vbv s ILE 89 N -0.29 4.31 0.36 3.15 1.09 0.85 -4.75 121.20 125.92 2vbv s ILE 89 Ca 0.33 1.64 -0.17 0.00 -1.10 0.00 0.00 60.65 61.36 2vbv s ILE 89 Cb 0.10 -3.83 -0.09 0.00 -1.06 0.00 0.00 42.46 37.58 2vbv s ILE 89 CO -0.16 -0.05 0.81 -1.81 -0.10 0.00 0.00 174.94 173.64 2vbv s ASP 90 N -1.86 6.81 0.00 3.58 1.11 -1.26 1.00 116.67 126.04 2vbv s ASP 90 Ca 0.55 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.68 2vbv s ASP 90 Cb -0.14 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2vbv s ASP 90 CO 0.19 -0.27 0.00 0.61 1.18 0.00 0.00 175.17 176.88 2vbv n GLY 91 N -0.53 2.04 3.44 0.21 0.00 -0.89 -4.58 105.19 104.87 2vbv n GLY 91 Ca 0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.00 -1.51 -0.34 4.61 0.00 -0.52 -2.67 121.76 120.34 2vbv s ALA 92 Ca 0.00 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 2vbv s ALA 92 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2vbv s ALA 92 CO 0.00 -0.38 0.46 0.42 0.00 0.00 0.00 175.76 176.26 2vbv s ILE 93 N -1.48 5.07 -0.33 0.00 1.01 0.81 0.01 121.20 126.28 2vbv s ILE 93 Ca -0.10 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 2vbv s ILE 93 Cb -0.01 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 2vbv s ILE 93 CO 0.06 -0.16 0.32 0.68 0.00 0.00 0.00 174.94 175.85 2vbv s VAL 94 N 2.26 5.20 -0.42 2.92 -7.23 -0.87 -0.30 120.40 121.96 2vbv s VAL 94 Ca 0.16 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.31 2vbv s VAL 94 Cb -0.16 -3.77 0.10 0.00 0.56 0.00 0.00 36.38 33.11 2vbv s VAL 94 CO 0.12 -0.03 0.25 -0.69 -0.31 0.00 0.00 175.10 174.45 2vbv s VAL 95 N 1.94 3.88 0.81 1.32 1.01 0.44 -4.34 120.40 125.47 2vbv s VAL 95 Ca 0.10 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.29 2vbv s VAL 95 Cb -0.17 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2vbv s VAL 95 CO 0.11 -0.61 1.11 -2.84 0.00 0.00 0.00 175.10 172.87 2vbv s PRO 96 N 1.32 1.91 0.25 2.72 0.02 -1.26 -1.84 135.00 138.11 2vbv s PRO 96 Ca 0.05 1.28 0.25 0.00 0.02 0.00 0.00 61.00 62.60 2vbv s PRO 96 Cb -0.24 -1.85 0.70 0.00 0.02 0.00 0.00 34.50 33.13 2vbv s PRO 96 CO -0.01 -1.92 1.72 -0.22 -0.33 0.00 0.00 177.00 176.24 2vbv h LYS 97 N -1.33 0.00 -3.23 5.54 3.64 -1.98 -3.42 116.57 115.80 2vbv h LYS 97 Ca -0.43 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.65 2vbv h LYS 97 Cb 1.24 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.71 2vbv h LYS 97 CO 0.49 0.00 -0.66 0.21 -2.27 0.00 0.00 179.45 177.22 2vbv s LYS 98 N -3.12 0.02 0.05 1.90 2.20 -1.26 -5.16 119.74 114.37 2vbv s LYS 98 Ca 0.10 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 2vbv s LYS 98 Cb 0.11 -0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.11 2vbv s LYS 98 CO 0.62 -0.26 -0.05 -0.08 -0.36 0.00 0.00 175.35 175.22 2vbv s THR 99 N 1.82 0.35 -1.97 3.43 -1.32 -1.26 -5.05 115.64 111.65 2vbv s THR 99 Ca -0.01 -1.51 0.28 0.00 -1.21 0.00 0.00 61.69 59.24 2vbv s THR 99 Cb -0.12 -1.12 0.47 0.00 -1.51 0.00 0.00 72.50 70.22 2vbv s THR 99 CO -0.05 -0.76 1.77 -1.22 -2.21 0.00 0.00 174.62 172.15 2vbv n TYR 100 N 0.64 0.00 -3.06 9.09 4.01 -1.26 -4.87 117.16 121.71 2vbv n TYR 100 Ca -0.17 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.27 2vbv n TYR 100 Cb 0.59 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2vbv n TYR 100 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2vbv s HIS 101 N -2.30 3.48 0.96 -0.72 -3.43 -1.26 -5.07 115.29 106.96 2vbv s HIS 101 Ca 0.32 0.84 -0.11 0.00 -0.80 0.00 0.00 55.06 55.31 2vbv s HIS 101 Cb 0.20 -2.28 0.17 0.00 -1.43 0.00 0.00 32.58 29.25 2vbv s HIS 101 CO 0.44 0.01 1.12 -1.54 -2.00 0.00 0.00 174.74 172.76 2vbv s SER 102 N -3.24 2.56 0.00 7.38 1.04 -1.26 -4.90 113.70 115.27 2vbv s SER 102 Ca 0.48 2.02 0.11 0.00 0.48 0.00 0.00 55.95 59.03 2vbv s SER 102 Cb -0.10 -2.51 0.47 0.00 0.10 0.00 0.00 66.02 63.98 2vbv s SER 102 CO 0.32 -3.30 1.32 -1.54 0.98 0.00 0.00 173.24 171.01 2vbv n SER 103 N -4.35 0.00 0.00 7.02 3.41 -1.26 -2.51 113.62 115.92 2vbv n SER 103 Ca 0.10 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 2vbv n SER 103 Cb 0.53 -0.46 0.65 0.00 -0.26 0.00 0.00 64.21 64.67 2vbv n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vbv n GLU 104 N -1.46 0.16 -4.65 4.33 4.71 -1.26 -0.89 120.64 121.59 2vbv n GLU 104 Ca 0.03 0.02 -0.33 0.00 -0.01 0.00 0.00 57.16 56.87 2vbv n GLU 104 Cb 0.12 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.91 2vbv n GLU 104 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2vbv s ILE 105 N -2.83 3.37 0.16 -3.67 -1.09 -1.05 0.24 121.20 116.34 2vbv s ILE 105 Ca 0.19 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 2vbv s ILE 105 Cb 0.19 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2vbv s ILE 105 CO 0.48 0.52 -0.17 0.27 -1.23 0.00 0.00 174.94 174.81 2vbv s ILE 106 N 0.23 1.70 -0.23 2.92 -4.36 -0.20 -4.89 121.20 116.37 2vbv s ILE 106 Ca -0.06 -1.90 -0.03 0.00 -0.26 0.00 0.00 60.65 58.40 2vbv s ILE 106 Cb -0.15 -1.79 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2vbv s ILE 106 CO 0.04 -0.36 -0.05 -1.61 0.24 0.00 0.00 174.94 173.20 2vbv s GLU 107 N -2.85 3.20 -0.12 0.37 2.02 -1.26 0.14 118.70 120.21 2vbv s GLU 107 Ca 0.15 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.27 2vbv s GLU 107 Cb -0.05 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 2vbv s GLU 107 CO 0.06 -0.27 0.29 0.42 0.02 0.00 0.00 175.26 175.78 2vbv s ILE 108 N 1.43 5.28 0.22 -1.63 -1.09 0.18 -2.04 121.20 123.55 2vbv s ILE 108 Ca 0.04 0.55 0.09 0.00 -2.23 0.00 0.00 60.65 59.09 2vbv s ILE 108 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2vbv s ILE 108 CO -0.04 0.48 0.00 0.27 -1.23 0.00 0.00 174.94 174.42 2vbv s ILE 109 N -0.18 3.59 -0.04 2.92 -4.36 0.10 0.33 121.20 123.56 2vbv s ILE 109 Ca 0.18 -1.68 -0.31 0.00 -0.26 0.00 0.00 60.65 58.58 2vbv s ILE 109 Cb -0.14 -2.86 0.11 0.00 1.25 0.00 0.00 42.46 40.82 2vbv s ILE 109 CO 0.06 -0.25 1.08 0.00 0.24 0.00 0.00 174.94 176.06 2vbv s ALA 110 N -2.03 -1.95 -0.49 2.27 0.00 -1.26 -1.43 121.76 116.87 2vbv s ALA 110 Ca 0.29 1.01 0.25 0.00 0.00 0.00 0.00 51.96 53.51 2vbv s ALA 110 Cb -0.08 0.27 0.59 0.00 0.00 0.00 0.00 23.12 23.89 2vbv s ALA 110 CO 0.19 -0.78 1.69 -1.00 0.00 0.00 0.00 175.76 175.87 2vbv h PRO 111 N 2.00 0.00 -5.67 0.00 0.13 -1.81 0.75 132.00 127.40 2vbv h PRO 111 Ca -0.19 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.32 2vbv h PRO 111 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 2vbv h PRO 111 CO 0.27 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.49 2vbv s MET 112 N -3.22 2.07 -0.52 0.86 0.23 -1.26 -3.70 119.30 113.76 2vbv s MET 112 Ca 0.08 -2.08 -0.29 0.00 -1.03 0.00 0.00 55.69 52.37 2vbv s MET 112 Cb 0.08 -1.73 0.03 0.00 -1.53 0.00 0.00 34.83 31.67 2vbv s MET 112 CO 0.63 -0.13 1.23 0.21 -2.03 0.00 0.00 175.02 174.93 2vbv s LYS 113 N -3.80 3.57 0.53 3.16 2.20 -1.26 -4.63 119.74 119.50 2vbv s LYS 113 Ca 0.33 0.46 0.25 0.00 -0.36 0.00 0.00 55.97 56.65 2vbv s LYS 113 Cb 0.07 -3.99 1.46 0.00 -1.51 0.00 0.00 37.83 33.86 2vbv s LYS 113 CO 0.17 -1.60 2.11 -0.07 -0.36 0.00 0.00 175.35 175.60 2vbv h LEU 114 N 11.87 0.00 -0.10 5.43 3.38 -1.97 -2.35 115.31 131.57 2vbv h LEU 114 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2vbv h LEU 114 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2vbv h LEU 114 CO 1.15 0.09 -0.22 0.03 0.09 0.00 0.00 178.44 179.59 2vbv h ARG 115 N 0.00 0.33 -0.06 1.13 3.08 -1.89 -3.01 114.38 113.96 2vbv h ARG 115 Ca -0.00 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2vbv h ARG 115 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2vbv h ARG 115 CO 0.01 0.82 -0.20 1.05 -1.07 0.00 0.00 179.97 180.58 2vbv h GLU 116 N -0.12 0.25 -0.29 0.04 4.11 -1.87 -1.23 114.58 115.47 2vbv h GLU 116 Ca 0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.25 2vbv h GLU 116 Cb 0.81 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2vbv h GLU 116 CO 0.05 0.80 0.16 1.96 0.07 0.00 0.00 179.01 182.05 2vbv h GLN 117 N -0.26 0.40 -0.43 1.06 1.08 -1.56 -3.18 115.11 112.21 2vbv h GLN 117 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2vbv h GLN 117 Cb 0.82 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2vbv h GLN 117 CO 0.04 0.35 0.00 1.19 -0.95 0.00 0.00 178.83 179.46 2vbv n PHE 118 N -4.82 0.62 -3.72 2.96 3.72 -1.13 -5.00 117.46 110.08 2vbv n PHE 118 Ca -0.02 -0.52 -0.31 0.00 -0.05 0.00 0.00 57.45 56.55 2vbv n PHE 118 Cb 0.07 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 2vbv n PHE 118 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2vbv n ASN 119 N 0.73 -4.62 -4.65 4.37 2.85 -0.53 -4.93 115.26 108.47 2vbv n ASN 119 Ca 0.15 -1.02 -0.39 0.00 -0.11 0.00 0.00 54.58 53.21 2vbv n ASN 119 Cb 0.50 -3.32 -0.07 0.00 1.24 0.00 0.00 39.78 38.13 2vbv n ASN 119 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2vbv s LEU 120 N -6.56 4.12 0.36 1.20 1.43 -0.82 -5.05 118.68 113.37 2vbv s LEU 120 Ca 0.41 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2vbv s LEU 120 Cb -0.15 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2vbv s LEU 120 CO 0.87 -0.22 0.53 -1.59 0.23 0.00 0.00 176.35 176.17 2vbv s LYS 121 N 1.83 3.22 0.28 1.70 -2.85 -1.26 -4.85 119.74 117.81 2vbv s LYS 121 Ca 0.24 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 2vbv s LYS 121 Cb -0.15 -2.72 -0.11 0.00 -2.06 0.00 0.00 37.83 32.79 2vbv s LYS 121 CO 0.09 0.03 1.54 -0.51 0.10 0.00 0.00 175.35 176.60 2vbv s ASP 122 N -4.13 6.47 0.00 0.03 1.11 -1.26 -2.57 116.67 116.32 2vbv s ASP 122 Ca 0.43 2.85 0.00 0.00 0.18 0.00 0.00 52.55 56.01 2vbv s ASP 122 Cb -0.10 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2vbv s ASP 122 CO 0.34 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.46 2vbv n GLY 123 N 2.16 2.95 3.59 0.21 0.00 0.78 -4.95 105.19 109.92 2vbv n GLY 123 Ca 0.08 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.42 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 0.34 1.42 -4.77 1.61 8.00 -1.06 -4.43 116.55 117.66 2vbv n ASP 124 Ca 0.00 1.15 -0.36 0.00 0.71 0.00 0.00 54.79 56.29 2vbv n ASP 124 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 39.78 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 -0.41 5.35 0.31 2.53 1.01 -1.26 -0.92 120.40 127.01 2vbv s VAL 125 Ca 0.69 0.40 0.07 0.00 0.00 0.00 0.00 61.98 63.14 2vbv s VAL 125 Cb -0.80 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2vbv s VAL 125 CO 0.54 0.46 -0.05 0.27 0.00 0.00 0.00 175.10 176.32 2vbv s ILE 126 N 0.03 1.75 0.23 2.22 -4.36 -0.22 -4.98 121.20 115.86 2vbv s ILE 126 Ca 0.14 -2.12 0.07 0.00 -0.26 0.00 0.00 60.65 58.48 2vbv s ILE 126 Cb -0.13 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2vbv s ILE 126 CO 0.03 -0.23 0.13 -0.54 0.24 0.00 0.00 174.94 174.57 2vbv s LYS 127 N -3.72 2.77 -0.02 0.37 1.02 -0.99 -0.66 119.74 118.51 2vbv s LYS 127 Ca 0.31 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 55.24 2vbv s LYS 127 Cb 0.04 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2vbv s LYS 127 CO 0.14 0.42 -0.06 0.96 -0.92 0.00 0.00 175.35 175.88 2vbv s ILE 128 N -2.05 0.56 -0.25 2.17 -5.25 -0.02 -1.58 121.20 114.77 2vbv s ILE 128 Ca 0.32 -0.25 -0.09 0.00 -0.99 0.00 0.00 60.65 59.63 2vbv s ILE 128 Cb -0.08 -0.51 -0.04 0.00 2.95 0.00 0.00 42.46 44.78 2vbv s ILE 128 CO 0.23 0.18 0.13 -0.22 -1.79 0.00 0.00 174.94 173.48 2vbv s LEU 129 N 0.18 3.83 -0.30 0.37 2.96 0.15 -2.40 118.68 123.47 2vbv s LEU 129 Ca -0.02 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 2vbv s LEU 129 Cb -0.07 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.60 2vbv s LEU 129 CO -0.00 -0.00 0.07 -0.63 -1.32 0.00 0.00 176.35 174.46 2vbv s ILE 130 N 1.47 3.78 0.17 6.68 1.01 -0.02 -1.79 121.20 132.50 2vbv s ILE 130 Ca 0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2vbv s ILE 130 Cb -0.15 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 2vbv s ILE 130 CO 0.07 0.04 0.43 -0.75 0.00 0.00 0.00 174.94 174.72 2vbv s LYS 131 N 1.45 3.67 3.98 2.79 2.20 -1.26 -0.95 119.74 131.62 2vbv s LYS 131 Ca 0.01 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 2vbv s LYS 131 Cb -0.18 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2vbv s LYS 131 CO 0.02 0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 2vbv n GLY 132 N -0.03 0.72 0.00 5.54 0.00 0.11 -4.98 105.19 106.55 2vbv n GLY 132 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2vbv n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vbv n ASP 133 N 0.36 0.00 0.04 1.61 10.43 -1.23 -4.55 116.55 123.22 2vbv n ASP 133 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2vbv n ASP 133 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2vbv n ASP 133 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2vbv n LYS 134 N 0.00 0.00 0.24 -1.24 4.81 -1.25 -1.46 118.16 119.26 2vbv n LYS 134 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2vbv n LYS 134 Cb 0.00 -0.30 -0.09 0.00 0.02 0.00 0.00 35.03 34.66 2vbv n LYS 134 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2vbv h ASP 135 N 0.00 -1.27 0.00 3.14 5.19 -1.97 -3.47 116.42 118.03 2vbv h ASP 135 Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2vbv h ASP 135 Cb 0.00 0.43 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2vbv h ASP 135 CO 0.00 -0.58 0.00 -0.62 -3.12 0.00 0.00 179.24 174.92