#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vmf h HIS -1 N 0.00 0.00 -4.03 1.57 -0.00 -2.04 -3.46 115.15 107.19 1vmf h HIS -1 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.01 1vmf h HIS -1 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1vmf h HIS -1 CO 0.00 0.00 -0.50 0.72 -0.00 0.00 0.00 177.93 178.15 1vmf n HIS 0 N -2.42 -1.51 -4.74 6.12 -0.00 -1.26 -4.62 115.22 106.79 1vmf n HIS 0 Ca 0.03 0.22 -0.33 0.00 -0.00 0.00 0.00 57.72 57.63 1vmf n HIS 0 Cb 0.31 -3.61 -0.14 0.00 -0.00 0.00 0.00 29.99 26.54 1vmf n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1vmf s MET 1 N -5.37 3.40 -0.01 -0.41 1.75 -1.26 -1.66 119.30 115.74 1vmf s MET 1 Ca 0.14 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 1vmf s MET 1 Cb -0.07 -2.65 -0.01 0.00 2.84 0.00 0.00 34.83 34.94 1vmf s MET 1 CO 0.18 0.21 -0.08 0.21 -0.65 0.00 0.00 175.02 174.89 1vmf s LYS 2 N 0.37 0.62 -0.08 4.11 2.20 -0.34 -5.00 119.74 121.63 1vmf s LYS 2 Ca -0.10 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 1vmf s LYS 2 Cb -0.16 -0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1vmf s LYS 2 CO 0.05 0.16 -0.02 0.99 -0.36 0.00 0.00 175.35 176.18 1vmf s THR 3 N -0.18 4.14 0.07 3.43 2.01 -1.26 -0.36 115.64 123.49 1vmf s THR 3 Ca 0.03 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 61.82 1vmf s THR 3 Cb -0.03 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1vmf s THR 3 CO -0.00 0.60 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.91 1vmf s PHE 4 N -0.86 2.33 -0.11 4.92 0.40 0.36 -5.00 117.98 120.02 1vmf s PHE 4 Ca 0.13 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1vmf s PHE 4 Cb -0.11 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1vmf s PHE 4 CO 0.02 0.20 -0.01 -1.58 0.70 0.00 0.00 175.22 174.55 1vmf s HIS 5 N -0.90 3.11 0.04 0.36 5.65 -1.26 -1.77 115.29 120.52 1vmf s HIS 5 Ca 0.13 0.06 0.05 0.00 0.25 0.00 0.00 55.06 55.54 1vmf s HIS 5 Cb -0.10 -1.84 -0.02 0.00 -1.18 0.00 0.00 32.58 29.44 1vmf s HIS 5 CO 0.04 0.32 -0.14 -0.51 -0.65 0.00 0.00 174.74 173.79 1vmf s LEU 6 N -0.49 2.17 -0.16 8.88 1.43 -0.23 -4.99 118.68 125.28 1vmf s LEU 6 Ca 0.08 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1vmf s LEU 6 Cb -0.12 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1vmf s LEU 6 CO 0.02 0.04 -0.04 -0.89 0.23 0.00 0.00 176.35 175.71 1vmf s THR 7 N -0.84 3.83 0.13 5.49 2.01 -1.26 -1.29 115.64 123.71 1vmf s THR 7 Ca 0.02 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1vmf s THR 7 Cb -0.08 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1vmf s THR 7 CO 0.01 0.49 0.13 0.42 -0.69 0.00 0.00 174.62 174.97 1vmf s THR 8 N 0.44 4.58 -0.50 -0.82 -4.23 0.08 -4.97 115.64 110.21 1vmf s THR 8 Ca -0.04 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1vmf s THR 8 Cb -0.14 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1vmf s THR 8 CO 0.03 -0.01 0.47 0.00 -0.54 0.00 0.00 174.62 174.57 1vmf n GLN 9 N -0.03 2.29 -4.04 3.99 1.13 -1.26 -2.88 117.38 116.58 1vmf n GLN 9 Ca -0.08 -0.46 -0.10 0.00 -1.94 0.00 0.00 57.00 54.42 1vmf n GLN 9 Cb 0.53 -0.94 -0.06 0.00 0.11 0.00 0.00 30.24 29.88 1vmf n GLN 9 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1vmf s SER 10 N -0.93 0.02 0.13 1.08 1.04 -1.26 -4.66 113.70 109.13 1vmf s SER 10 Ca 0.05 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.22 1vmf s SER 10 Cb 0.04 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1vmf s SER 10 CO 0.13 -1.11 1.68 -0.09 0.98 0.00 0.00 173.24 174.84 1vmf h ARG 11 N 2.30 -0.10 -5.31 4.02 2.43 -1.93 -3.25 114.38 112.54 1vmf h ARG 11 Ca -0.28 0.01 -0.65 0.00 -0.81 0.00 0.00 59.98 58.25 1vmf h ARG 11 Cb 1.25 0.02 -0.26 0.00 -0.42 0.00 0.00 29.97 30.57 1vmf h ARG 11 CO 0.38 -0.07 -0.74 -0.51 -1.51 0.00 0.00 179.97 177.53 1vmf s ASP 12 N -5.12 4.21 -0.24 -3.80 1.11 -1.26 -1.34 116.67 110.24 1vmf s ASP 12 Ca -0.14 -0.28 -0.13 0.00 0.18 0.00 0.00 52.55 52.18 1vmf s ASP 12 Cb 0.11 -1.66 0.07 0.00 1.07 0.00 0.00 42.92 42.51 1vmf s ASP 12 CO 0.68 0.16 0.58 -0.70 1.18 0.00 0.00 175.17 177.07 1vmf s GLU 13 N 0.38 0.58 -0.30 8.23 2.12 -0.58 -4.99 118.70 124.13 1vmf s GLU 13 Ca -0.09 1.07 -0.05 0.00 0.36 0.00 0.00 54.97 56.25 1vmf s GLU 13 Cb -0.15 0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.36 1vmf s GLU 13 CO 0.05 -0.16 0.06 -1.64 -0.54 0.00 0.00 175.26 173.03 1vmf s MET 14 N 1.60 2.80 -0.22 4.30 -1.94 -1.26 0.05 119.30 124.64 1vmf s MET 14 Ca -0.10 -1.04 -0.06 0.00 -1.71 0.00 0.00 55.69 52.78 1vmf s MET 14 Cb -0.07 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 1vmf s MET 14 CO -0.17 -0.54 0.03 0.08 -0.01 0.00 0.00 175.02 174.41 1vmf s VAL 15 N 1.41 4.11 -0.20 -6.03 1.01 -0.28 -4.94 120.40 115.49 1vmf s VAL 15 Ca -0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1vmf s VAL 15 Cb -0.18 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1vmf s VAL 15 CO 0.01 0.40 1.38 -0.62 0.00 0.00 0.00 175.10 176.27 1vmf s ASP 16 N 1.19 6.75 -0.03 3.32 -1.08 -1.26 -0.61 116.67 124.94 1vmf s ASP 16 Ca 0.04 1.62 0.09 0.00 -0.52 0.00 0.00 52.55 53.78 1vmf s ASP 16 Cb -0.14 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.04 1vmf s ASP 16 CO 0.02 -0.94 1.21 2.30 0.52 0.00 0.00 175.17 178.28 1vmf n ILE 17 N 5.76 1.24 -0.26 4.11 -5.35 0.46 -4.71 119.36 120.62 1vmf n ILE 17 Ca 0.15 -1.20 0.02 0.00 -0.27 0.00 0.00 62.75 61.45 1vmf n ILE 17 Cb 0.45 0.35 0.15 0.00 -1.74 0.00 0.00 39.64 38.85 1vmf n ILE 17 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1vmf h THR 18 N 1.35 0.86 -0.66 7.28 2.02 -1.89 -2.58 112.91 119.30 1vmf h THR 18 Ca 0.00 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 1vmf h THR 18 Cb 0.79 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1vmf h THR 18 CO 0.03 0.12 0.10 0.77 0.37 0.00 0.00 175.52 176.92 1vmf h SER 19 N 0.66 1.04 -0.60 4.18 4.64 -1.93 -0.94 113.55 120.60 1vmf h SER 19 Ca 0.37 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1vmf h SER 19 Cb 0.38 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1vmf h SER 19 CO -0.26 1.03 0.33 1.56 -0.87 0.00 0.00 176.83 178.62 1vmf h GLN 20 N 1.01 0.61 -0.14 4.77 7.50 -1.82 0.27 115.11 127.32 1vmf h GLN 20 Ca 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.29 1vmf h GLN 20 Cb 0.44 -0.14 -0.00 0.00 0.05 0.00 0.00 27.48 27.82 1vmf h GLN 20 CO 0.01 0.40 -0.01 0.82 -1.50 0.00 0.00 178.83 178.56 1vmf h ILE 21 N 0.63 1.27 -0.72 2.54 2.04 -1.21 -1.94 117.51 120.13 1vmf h ILE 21 Ca 0.26 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1vmf h ILE 21 Cb 0.14 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1vmf h ILE 21 CO -0.16 0.26 0.20 -0.33 0.00 0.00 0.00 178.15 178.12 1vmf h GLU 22 N -0.02 1.12 -0.66 2.37 5.08 -0.96 -0.94 114.58 120.58 1vmf h GLU 22 Ca 0.04 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1vmf h GLU 22 Cb 0.40 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1vmf h GLU 22 CO 0.01 0.97 0.35 1.15 -1.00 0.00 0.00 179.01 180.49 1vmf h THR 23 N 1.07 1.22 -0.46 1.13 2.02 -0.90 -1.41 112.91 115.57 1vmf h THR 23 Ca 0.23 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1vmf h THR 23 Cb 0.33 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1vmf h THR 23 CO -0.00 0.24 -0.01 -0.25 0.37 0.00 0.00 175.52 175.87 1vmf h TRP 24 N 0.91 0.91 -0.45 3.16 -0.00 -0.91 -0.86 115.95 118.71 1vmf h TRP 24 Ca 0.23 -0.16 0.06 0.00 -0.00 0.00 0.00 58.89 59.02 1vmf h TRP 24 Cb 0.07 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 28.95 1vmf h TRP 24 CO -0.00 0.88 0.15 0.82 -0.00 0.00 0.00 178.44 180.29 1vmf h ILE 25 N 0.68 0.85 -0.57 2.65 2.04 -0.98 -1.25 117.51 120.92 1vmf h ILE 25 Ca 0.13 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1vmf h ILE 25 Cb 0.52 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1vmf h ILE 25 CO 0.03 0.06 0.33 -0.09 0.00 0.00 0.00 178.15 178.48 1vmf h ARG 26 N 0.32 0.79 -0.75 2.37 2.43 -1.01 -2.40 114.38 116.13 1vmf h ARG 26 Ca 0.21 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1vmf h ARG 26 Cb 0.22 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1vmf h ARG 26 CO -0.22 0.59 0.38 1.49 -1.51 0.00 0.00 179.97 180.70 1vmf h GLU 27 N 0.77 1.06 0.00 0.20 4.81 -0.68 -2.59 114.58 118.16 1vmf h GLU 27 Ca 0.20 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1vmf h GLU 27 Cb 0.01 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1vmf h GLU 27 CO -0.04 0.80 0.00 1.79 -0.73 0.00 0.00 179.01 180.83 1vmf h THR 28 N 1.06 0.00 0.00 0.32 1.35 -0.96 -3.47 112.91 111.21 1vmf h THR 28 Ca 0.26 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1vmf h THR 28 Cb 0.07 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1vmf h THR 28 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1vmf n GLY 29 N 0.70 0.51 3.72 5.82 0.00 -0.93 -5.00 105.19 110.01 1vmf n GLY 29 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1vmf n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vmf s VAL 30 N -2.26 2.70 -0.21 1.61 1.01 -1.22 -4.92 120.40 117.11 1vmf s VAL 30 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1vmf s VAL 30 Cb 0.00 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.90 1vmf s VAL 30 CO 0.00 0.05 -0.16 0.35 0.00 0.00 0.00 175.10 175.34 1vmf n THR 31 N 3.62 1.23 -3.84 3.92 -2.24 -1.26 -4.35 114.28 111.36 1vmf n THR 31 Ca 0.12 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1vmf n THR 31 Cb 0.39 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.30 1vmf n THR 31 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1vmf s ASN 32 N -5.97 -0.02 0.00 3.42 0.01 -1.26 -0.79 114.94 110.33 1vmf s ASN 32 Ca -0.27 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 1vmf s ASN 32 Cb 0.07 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1vmf s ASN 32 CO 0.52 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.69 1vmf n GLY 33 N 3.27 -0.27 3.06 0.66 0.00 -0.77 -1.56 105.19 109.58 1vmf n GLY 33 Ca -0.15 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1vmf n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vmf s VAL 34 N -4.00 0.15 -0.13 1.61 -7.23 -0.41 -0.68 120.40 109.70 1vmf s VAL 34 Ca 0.00 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1vmf s VAL 34 Cb 0.00 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1vmf s VAL 34 CO 0.00 -0.68 -0.22 0.00 -0.31 0.00 0.00 175.10 173.89 1vmf s ALA 35 N -2.56 2.19 -0.25 1.32 0.00 0.41 -0.83 121.76 122.05 1vmf s ALA 35 Ca -0.06 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 1vmf s ALA 35 Cb -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1vmf s ALA 35 CO -0.05 -0.00 0.15 0.42 0.00 0.00 0.00 175.76 176.28 1vmf s ILE 36 N 0.78 5.16 -0.25 0.00 1.09 0.38 -0.30 121.20 128.07 1vmf s ILE 36 Ca -0.08 0.11 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 1vmf s ILE 36 Cb -0.16 -3.41 0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1vmf s ILE 36 CO -0.01 0.33 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.41 1vmf s VAL 37 N 1.24 2.91 -0.07 2.92 1.01 -0.06 -0.88 120.40 127.47 1vmf s VAL 37 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1vmf s VAL 37 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1vmf s VAL 37 CO 0.06 0.22 -0.08 -0.55 0.00 0.00 0.00 175.10 174.75 1vmf s SER 38 N 1.34 1.60 0.34 3.32 0.15 0.32 -0.92 113.70 119.86 1vmf s SER 38 Ca 0.01 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.16 1vmf s SER 38 Cb -0.16 -0.68 -0.09 0.00 -1.71 0.00 0.00 66.02 63.38 1vmf s SER 38 CO -0.04 -0.05 1.12 -0.55 1.20 0.00 0.00 173.24 174.91 1vmf s SER 39 N 1.11 6.91 -0.07 5.45 0.15 0.64 -0.27 113.70 127.63 1vmf s SER 39 Ca -0.07 2.27 0.11 0.00 0.70 0.00 0.00 55.95 58.96 1vmf s SER 39 Cb -0.14 -2.62 0.44 0.00 -1.71 0.00 0.00 66.02 61.99 1vmf s SER 39 CO -0.01 -0.40 1.28 0.18 1.20 0.00 0.00 173.24 175.50 1vmf n LEU 40 N 0.57 3.08 -4.27 3.45 4.77 -0.99 -4.90 117.00 118.71 1vmf n LEU 40 Ca 0.02 -1.55 -0.23 0.00 -0.03 0.00 0.00 56.01 54.22 1vmf n LEU 40 Cb 0.46 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1vmf n LEU 40 CO 0.51 0.53 -0.50 -1.00 -1.33 0.00 0.00 177.39 175.61 1vmf s HIS 41 N -1.72 1.69 -1.62 -1.77 3.76 -1.26 -5.02 115.29 109.34 1vmf s HIS 41 Ca 0.31 -0.44 0.27 0.00 -0.15 0.00 0.00 55.06 55.05 1vmf s HIS 41 Cb 0.20 -0.92 0.79 0.00 1.11 0.00 0.00 32.58 33.77 1vmf s HIS 41 CO 0.15 0.20 1.59 0.25 -0.85 0.00 0.00 174.74 176.08 1vmf n THR 42 N 0.97 0.00 -0.52 1.30 -2.24 -1.26 -4.02 114.28 108.51 1vmf n THR 42 Ca -0.19 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.51 1vmf n THR 42 Cb 0.54 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1vmf n THR 42 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vmf n THR 43 N -0.82 0.80 -3.89 4.28 -2.24 -1.26 -4.16 114.28 106.99 1vmf n THR 43 Ca 0.11 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 1vmf n THR 43 Cb 0.34 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.95 1vmf n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vmf s ALA 44 N -0.93 0.08 0.00 6.98 0.00 -1.26 -2.47 121.76 124.17 1vmf s ALA 44 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1vmf s ALA 44 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1vmf s ALA 44 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1vmf n GLY 45 N 3.32 4.81 2.96 0.00 0.00 -0.18 -4.48 105.19 111.63 1vmf n GLY 45 Ca -0.16 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.52 1vmf n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vmf s ILE 46 N -0.71 0.66 0.14 -0.61 -1.09 -0.27 -0.36 121.20 118.96 1vmf s ILE 46 Ca 0.00 -0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1vmf s ILE 46 Cb 0.00 -0.62 -0.02 0.00 -1.58 0.00 0.00 42.46 40.23 1vmf s ILE 46 CO 0.00 0.23 0.16 0.28 -1.23 0.00 0.00 174.94 174.38 1vmf s THR 47 N 0.45 0.10 -0.14 2.92 -1.32 -0.71 -4.32 115.64 112.62 1vmf s THR 47 Ca -0.07 -1.63 0.01 0.00 -1.21 0.00 0.00 61.69 58.80 1vmf s THR 47 Cb -0.11 -1.88 -0.00 0.00 -1.51 0.00 0.00 72.50 69.00 1vmf s THR 47 CO 0.01 -0.43 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.12 1vmf s VAL 48 N -3.99 2.55 0.00 5.08 1.01 -1.26 -0.37 120.40 123.41 1vmf s VAL 48 Ca 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1vmf s VAL 48 Cb 0.05 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1vmf s VAL 48 CO -0.01 0.53 0.00 -3.20 0.00 0.00 0.00 175.10 172.42 1vmf n ASN 49 N 3.86 0.00 -4.72 3.32 2.85 -0.35 -4.93 115.26 115.30 1vmf n ASN 49 Ca -0.19 -0.82 -0.42 0.00 -0.11 0.00 0.00 54.58 53.04 1vmf n ASN 49 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 1vmf n ASN 49 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1vmf s GLU 50 N -1.45 4.13 -0.15 1.20 -6.30 -1.25 -1.11 118.70 113.77 1vmf s GLU 50 Ca 0.00 2.59 0.16 0.00 -2.50 0.00 0.00 54.97 55.21 1vmf s GLU 50 Cb 0.00 -3.12 0.52 0.00 0.00 0.00 0.00 34.13 31.53 1vmf s GLU 50 CO 0.00 -0.75 1.43 0.27 0.02 0.00 0.00 175.26 176.23 1vmf n ASN 51 N 4.13 3.91 0.00 -1.70 6.94 -0.13 -4.69 115.26 123.72 1vmf n ASN 51 Ca 0.16 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.88 1vmf n ASN 51 Cb 0.36 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1vmf n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vmf n ALA 52 N -0.22 2.41 -2.51 -2.53 0.00 -1.26 -4.96 120.51 111.44 1vmf n ALA 52 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1vmf n ALA 52 Cb 0.85 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.48 1vmf n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vmf s ASP 53 N -4.15 6.17 0.60 0.00 -1.08 -1.26 -4.94 116.67 112.01 1vmf s ASP 53 Ca 0.00 -0.51 0.40 0.00 -0.52 0.00 0.00 52.55 51.92 1vmf s ASP 53 Cb 0.00 -2.20 2.09 0.00 -1.46 0.00 0.00 42.92 41.35 1vmf s ASP 53 CO 0.00 -0.45 2.22 1.55 0.52 0.00 0.00 175.17 179.00 1vmf h PRO 54 N 8.60 0.00 0.00 4.34 0.13 -1.95 -1.52 132.00 141.60 1vmf h PRO 54 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1vmf h PRO 54 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1vmf h PRO 54 CO 0.74 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.04 1vmf h ASP 55 N 0.00 0.00 -0.19 1.44 3.32 -1.99 -2.01 116.42 116.99 1vmf h ASP 55 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1vmf h ASP 55 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1vmf h ASP 55 CO 0.00 0.03 0.03 0.58 -1.72 0.00 0.00 179.24 178.16 1vmf h VAL 56 N 0.00 1.22 -0.58 -1.35 2.07 -1.65 -0.96 116.25 115.00 1vmf h VAL 56 Ca -0.00 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1vmf h VAL 56 Cb 0.42 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1vmf h VAL 56 CO 0.00 0.22 0.07 0.11 0.02 0.00 0.00 177.57 177.99 1vmf h LYS 57 N 0.10 0.98 -0.55 1.57 1.57 -1.61 0.50 116.57 119.14 1vmf h LYS 57 Ca 0.06 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1vmf h LYS 57 Cb 0.30 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1vmf h LYS 57 CO 0.00 0.94 0.32 -0.09 -0.57 0.00 0.00 179.45 180.06 1vmf h ARG 58 N 0.88 0.61 -0.21 3.15 2.43 -1.33 -1.41 114.38 118.50 1vmf h ARG 58 Ca 0.17 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1vmf h ARG 58 Cb 0.46 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1vmf h ARG 58 CO 0.02 0.40 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.90 1vmf h ASP 59 N 0.63 0.68 -0.42 -3.80 5.19 -0.74 -1.15 116.42 116.79 1vmf h ASP 59 Ca 0.23 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1vmf h ASP 59 Cb 0.06 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 1vmf h ASP 59 CO -0.12 1.08 0.28 0.24 -3.12 0.00 0.00 179.24 177.60 1vmf h MET 60 N 0.47 0.56 -0.69 3.56 2.86 -0.50 0.57 114.93 121.76 1vmf h MET 60 Ca 0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1vmf h MET 60 Cb 1.09 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1vmf h MET 60 CO 0.10 0.37 0.28 0.82 1.06 0.00 0.00 176.91 179.55 1vmf h ILE 61 N 0.58 1.24 -0.16 -1.22 2.04 -1.10 -1.13 117.51 117.76 1vmf h ILE 61 Ca 0.16 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1vmf h ILE 61 Cb -0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1vmf h ILE 61 CO -0.03 0.30 0.04 -0.03 0.00 0.00 0.00 178.15 178.42 1vmf h MET 62 N 0.97 0.26 -0.55 2.37 4.05 -0.79 -1.64 114.93 119.60 1vmf h MET 62 Ca 0.23 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1vmf h MET 62 Cb 0.19 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1vmf h MET 62 CO -0.02 0.41 0.19 0.00 0.23 0.00 0.00 176.91 177.72 1vmf h ARG 63 N 0.06 0.84 -0.31 0.39 2.47 -0.81 -2.40 114.38 114.61 1vmf h ARG 63 Ca 0.05 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1vmf h ARG 63 Cb 0.27 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1vmf h ARG 63 CO 0.00 0.75 0.06 -0.07 0.56 0.00 0.00 179.97 181.27 1vmf h LEU 64 N 0.75 0.42 -1.35 3.04 3.38 -1.11 -0.47 115.31 119.98 1vmf h LEU 64 Ca 0.18 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1vmf h LEU 64 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1vmf h LEU 64 CO -0.01 0.45 -0.32 -0.78 0.09 0.00 0.00 178.44 177.86 1vmf h ASP 65 N 0.45 0.00 0.45 -0.43 3.58 -0.82 -0.50 116.42 119.14 1vmf h ASP 65 Ca 0.11 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.25 1vmf h ASP 65 Cb 0.21 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.28 1vmf h ASP 65 CO -0.00 0.32 -1.39 -0.33 -2.88 0.00 0.00 179.24 174.97 1vmf h GLU 66 N 0.00 0.39 -0.48 0.28 5.08 -0.86 -2.95 114.58 116.05 1vmf h GLU 66 Ca -0.00 -0.67 -0.06 0.00 -1.00 0.00 0.00 59.36 57.62 1vmf h GLU 66 Cb 0.58 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1vmf h GLU 66 CO 0.04 1.31 0.05 0.28 -1.00 0.00 0.00 179.01 179.70 1vmf h VAL 67 N 0.11 1.25 -3.02 3.13 2.07 -0.96 -3.36 116.25 115.48 1vmf h VAL 67 Ca -0.20 -0.97 -0.62 0.00 0.82 0.00 0.00 66.70 65.73 1vmf h VAL 67 Cb 2.07 0.95 -0.41 0.00 -1.52 0.00 0.00 31.29 32.38 1vmf h VAL 67 CO 0.23 0.34 -0.63 -0.31 0.02 0.00 0.00 177.57 177.22 1vmf s TYR 68 N -5.13 3.21 0.63 1.57 2.02 -0.21 -5.10 117.35 114.34 1vmf s TYR 68 Ca -0.13 -3.19 -0.18 0.00 -0.37 0.00 0.00 57.07 53.20 1vmf s TYR 68 Cb 0.11 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1vmf s TYR 68 CO 0.80 -0.60 1.18 -2.30 -1.57 0.00 0.00 175.55 173.07 1vmf n PRO 69 N 2.19 1.05 0.12 -1.71 -0.02 -1.11 -4.57 135.00 130.95 1vmf n PRO 69 Ca 0.20 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1vmf n PRO 69 Cb 0.36 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1vmf n PRO 69 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1vmf h TRP 70 N 0.53 -0.29 -3.30 6.00 2.91 -1.96 -3.42 115.95 116.41 1vmf h TRP 70 Ca -0.50 -0.01 -0.57 0.00 1.13 0.00 0.00 58.89 58.94 1vmf h TRP 70 Cb 1.35 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 30.03 1vmf h TRP 70 CO 0.40 0.02 -0.07 -1.01 -1.03 0.00 0.00 178.44 176.75 1vmf s HIS 71 N -4.84 3.60 -0.08 2.65 3.76 -1.26 -4.63 115.29 114.49 1vmf s HIS 71 Ca -0.14 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.78 1vmf s HIS 71 Cb 0.03 -2.59 0.04 0.00 1.11 0.00 0.00 32.58 31.17 1vmf s HIS 71 CO 0.58 0.25 0.18 -1.58 -0.85 0.00 0.00 174.74 173.33 1vmf s HIS 72 N 0.25 -0.23 0.51 1.40 2.46 -1.26 -5.04 115.29 113.37 1vmf s HIS 72 Ca 0.29 0.61 0.28 0.00 0.47 0.00 0.00 55.06 56.72 1vmf s HIS 72 Cb -0.17 -0.07 1.64 0.00 -0.13 0.00 0.00 32.58 33.85 1vmf s HIS 72 CO 0.14 -0.21 2.17 1.05 -2.47 0.00 0.00 174.74 175.42 1vmf h GLU 73 N 7.44 0.00 -0.01 2.88 9.09 -1.99 -2.37 114.58 129.62 1vmf h GLU 73 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 1vmf h GLU 73 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1vmf h GLU 73 CO 0.36 0.06 -0.36 0.09 0.05 0.00 0.00 179.01 179.21 1vmf n ASN 74 N -3.75 0.94 -4.77 3.06 3.02 -1.26 -4.94 115.26 107.56 1vmf n ASN 74 Ca -0.02 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1vmf n ASN 74 Cb 0.16 0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1vmf n ASN 74 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1vmf s ASP 75 N -2.65 6.68 -0.02 6.41 1.01 -0.90 -4.93 116.67 122.27 1vmf s ASP 75 Ca 0.20 2.75 0.17 0.00 0.71 0.00 0.00 52.55 56.38 1vmf s ASP 75 Cb 0.19 -2.65 -0.27 0.00 1.01 0.00 0.00 42.92 41.20 1vmf s ASP 75 CO 0.58 -0.61 0.39 0.54 0.21 0.00 0.00 175.17 176.28 1vmf n ARG 76 N 0.95 0.56 -2.35 8.23 1.74 -1.26 -4.94 116.66 119.58 1vmf n ARG 76 Ca 0.01 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.52 1vmf n ARG 76 Cb 0.41 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1vmf n ARG 76 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1vmf s HIS 77 N -3.18 2.25 -0.37 -1.55 2.46 -1.26 -4.85 115.29 108.79 1vmf s HIS 77 Ca -0.06 0.53 0.27 0.00 0.47 0.00 0.00 55.06 56.26 1vmf s HIS 77 Cb 0.11 -4.36 0.97 0.00 -0.13 0.00 0.00 32.58 29.17 1vmf s HIS 77 CO 0.72 -2.03 1.79 0.52 -2.47 0.00 0.00 174.74 173.27 1vmf h MET 78 N 11.27 0.00 0.00 2.88 2.86 -2.04 -2.53 114.93 127.37 1vmf h MET 78 Ca -0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1vmf h MET 78 Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1vmf h MET 78 CO 1.16 0.00 -0.05 1.49 1.06 0.00 0.00 176.91 180.57 1vmf h GLU 79 N 0.00 0.00 0.00 1.72 4.81 -2.02 -3.46 114.58 115.63 1vmf h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vmf h GLU 79 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1vmf h GLU 79 CO 0.00 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 1vmf n GLY 80 N -1.17 0.65 1.06 1.92 0.00 -0.95 -4.95 105.19 101.75 1vmf n GLY 80 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vmf n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vmf n ASN 81 N 0.00 3.04 -0.32 1.61 0.23 -1.26 -4.70 115.26 113.86 1vmf n ASN 81 Ca 0.00 -3.47 0.07 0.00 -0.53 0.00 0.00 54.58 50.66 1vmf n ASN 81 Cb 0.00 -0.60 0.17 0.00 -2.08 0.00 0.00 39.78 37.27 1vmf n ASN 81 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1vmf h THR 82 N 1.26 0.10 -0.94 5.53 2.02 -1.88 0.16 112.91 119.16 1vmf h THR 82 Ca 0.15 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.48 1vmf h THR 82 Cb 1.60 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 1vmf h THR 82 CO 0.34 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.83 1vmf h ALA 83 N 1.91 1.77 -0.42 6.16 0.00 -1.82 -0.66 119.26 126.20 1vmf h ALA 83 Ca 0.48 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 1vmf h ALA 83 Cb 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1vmf h ALA 83 CO -0.90 -0.05 -0.08 0.00 0.00 0.00 0.00 179.25 178.22 1vmf h ALA 84 N 1.60 1.08 -0.48 0.00 0.00 -1.19 -1.14 119.26 119.13 1vmf h ALA 84 Ca 0.49 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1vmf h ALA 84 Cb 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1vmf h ALA 84 CO -0.25 0.57 0.13 0.45 0.00 0.00 0.00 179.25 180.15 1vmf h HIS 85 N 0.67 0.79 -0.31 0.00 3.86 -1.02 -1.57 115.15 117.56 1vmf h HIS 85 Ca 0.12 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1vmf h HIS 85 Cb 0.53 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1vmf h HIS 85 CO 0.03 0.70 0.15 -0.07 0.86 0.00 0.00 177.93 179.60 1vmf h LEU 86 N 0.64 0.40 -0.97 2.43 -0.00 -1.15 -2.00 115.31 114.66 1vmf h LEU 86 Ca 0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1vmf h LEU 86 Cb 0.30 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 1vmf h LEU 86 CO -0.00 0.40 0.62 0.11 -0.00 0.00 0.00 178.44 179.57 1vmf h LYS 87 N 0.37 1.29 -0.30 1.13 1.57 -1.09 -0.51 116.57 119.02 1vmf h LYS 87 Ca 0.11 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1vmf h LYS 87 Cb 0.10 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1vmf h LYS 87 CO -0.01 0.87 0.01 1.15 -0.57 0.00 0.00 179.45 180.90 1vmf h THR 88 N 1.32 1.25 0.00 -0.16 2.02 -1.08 -1.39 112.91 114.87 1vmf h THR 88 Ca 0.35 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1vmf h THR 88 Cb -0.12 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1vmf h THR 88 CO -0.07 0.29 -0.25 0.28 0.37 0.00 0.00 175.52 176.14 1vmf h SER 89 N 0.32 0.00 -0.02 4.18 0.02 -1.14 0.12 113.55 117.03 1vmf h SER 89 Ca 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1vmf h SER 89 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1vmf h SER 89 CO 0.01 0.25 -0.14 0.74 -1.14 0.00 0.00 176.83 176.55 1vmf h THR 90 N 0.00 1.50 0.00 -2.27 2.02 -0.70 -3.27 112.91 110.19 1vmf h THR 90 Ca -0.00 -1.67 -0.14 0.00 0.77 0.00 0.00 66.41 65.37 1vmf h THR 90 Cb 0.62 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 1vmf h THR 90 CO 0.03 0.45 -0.65 -0.37 0.37 0.00 0.00 175.52 175.36 1vmf h VAL 91 N -0.47 1.15 0.00 3.16 -1.51 -1.28 -3.50 116.25 113.80 1vmf h VAL 91 Ca -0.01 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 62.94 1vmf h VAL 91 Cb 0.81 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.47 1vmf h VAL 91 CO 0.03 0.64 0.00 0.61 -1.23 0.00 0.00 177.57 177.61 1vmf n GLY 92 N 1.12 2.55 0.15 5.19 0.00 0.43 -4.69 105.19 109.94 1vmf n GLY 92 Ca 0.01 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1vmf n GLY 92 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1vmf h HIS 93 N 0.00 0.00 -3.34 1.61 2.07 -1.83 -0.70 115.15 112.97 1vmf h HIS 93 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1vmf h HIS 93 Cb 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 29.79 1vmf h HIS 93 CO 0.00 0.00 -0.34 0.00 -3.07 0.00 0.00 177.93 174.52 1vmf s ALA 94 N -3.20 -0.55 0.04 6.11 0.00 -1.26 -0.26 121.76 122.64 1vmf s ALA 94 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1vmf s ALA 94 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1vmf s ALA 94 CO 0.67 -0.31 -0.12 -0.65 0.00 0.00 0.00 175.76 175.35 1vmf s GLN 95 N -1.98 0.78 -0.19 0.00 -1.52 -0.09 -4.89 119.66 111.77 1vmf s GLN 95 Ca -0.09 -0.73 -0.03 0.00 -1.95 0.00 0.00 55.36 52.55 1vmf s GLN 95 Cb -0.03 -0.73 -0.01 0.00 -0.22 0.00 0.00 33.01 32.01 1vmf s GLN 95 CO -0.00 0.17 -0.05 0.99 -0.25 0.00 0.00 175.29 176.15 1vmf s THR 96 N -0.96 3.43 0.16 -0.19 2.01 -1.26 -0.88 115.64 117.94 1vmf s THR 96 Ca -0.01 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.59 1vmf s THR 96 Cb -0.08 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1vmf s THR 96 CO 0.01 0.45 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.44 1vmf s LEU 97 N 1.09 2.63 -0.01 4.42 1.43 0.59 -4.97 118.68 123.85 1vmf s LEU 97 Ca 0.01 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1vmf s LEU 97 Cb -0.15 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1vmf s LEU 97 CO -0.00 0.14 0.37 -0.63 0.23 0.00 0.00 176.35 176.46 1vmf s ILE 98 N -1.44 5.10 -0.18 -0.59 1.01 -1.26 -0.45 121.20 123.39 1vmf s ILE 98 Ca 0.20 0.73 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 1vmf s ILE 98 Cb -0.09 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1vmf s ILE 98 CO 0.11 0.57 -0.04 -0.63 0.00 0.00 0.00 174.94 174.95 1vmf s ILE 99 N -1.09 3.68 -0.03 2.92 1.01 0.14 -0.09 121.20 127.74 1vmf s ILE 99 Ca 0.23 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1vmf s ILE 99 Cb -0.16 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1vmf s ILE 99 CO 0.12 0.46 0.07 -0.55 0.00 0.00 0.00 174.94 175.05 1vmf s SER 100 N 0.77 -0.02 -1.45 3.58 0.15 -0.07 -1.85 113.70 114.81 1vmf s SER 100 Ca -0.02 0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 1vmf s SER 100 Cb -0.15 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 1vmf s SER 100 CO 0.02 -0.10 0.74 -0.62 1.20 0.00 0.00 173.24 174.48 1vmf n GLU 101 N 3.84 -4.83 -1.08 5.44 1.02 -0.53 -1.92 120.64 122.59 1vmf n GLU 101 Ca -0.23 0.65 -0.03 0.00 -0.02 0.00 0.00 57.16 57.54 1vmf n GLU 101 Cb 0.53 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 26.45 1vmf n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vmf n GLY 102 N -1.50 0.58 3.13 0.62 0.00 0.03 -5.00 105.19 103.05 1vmf n GLY 102 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1vmf n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vmf s ARG 103 N -1.48 0.72 0.30 1.61 1.81 -0.81 -4.62 118.95 116.48 1vmf s ARG 103 Ca 0.00 -1.25 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 1vmf s ARG 103 Cb 0.00 -0.02 -0.10 0.00 -0.45 0.00 0.00 34.95 34.38 1vmf s ARG 103 CO 0.00 -0.06 1.31 -0.51 -0.68 0.00 0.00 175.30 175.37 1vmf s LEU 104 N -2.91 4.43 -0.63 2.53 1.43 -1.26 -0.89 118.68 121.37 1vmf s LEU 104 Ca 0.08 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.56 1vmf s LEU 104 Cb 0.06 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.68 1vmf s LEU 104 CO -0.07 -0.53 1.06 -0.69 0.23 0.00 0.00 176.35 176.35 1vmf s VAL 105 N -0.84 4.16 -0.02 -1.59 1.01 0.88 -4.84 120.40 119.15 1vmf s VAL 105 Ca 0.51 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1vmf s VAL 105 Cb -0.39 -4.70 -0.00 0.00 0.00 0.00 0.00 36.38 31.29 1vmf s VAL 105 CO 0.49 -1.43 -0.09 -0.76 0.00 0.00 0.00 175.10 173.31 1vmf s LEU 106 N 4.55 1.87 1.26 3.92 1.43 -1.26 -4.61 118.68 125.84 1vmf s LEU 106 Ca 0.31 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 1vmf s LEU 106 Cb -0.12 -0.51 0.31 0.00 0.03 0.00 0.00 46.19 45.90 1vmf s LEU 106 CO 0.16 0.08 1.02 -0.83 0.23 0.00 0.00 176.35 177.02 1vmf s GLY 107 N 0.05 1.51 0.26 -3.19 0.00 -1.26 -4.88 107.32 99.81 1vmf s GLY 107 Ca -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 1vmf s GLY 107 CO 0.00 0.19 1.77 -0.84 0.00 0.00 0.00 173.10 174.22 1vmf h THR 108 N -2.84 0.75 -0.28 0.90 2.02 -2.03 -2.41 112.91 109.01 1vmf h THR 108 Ca -0.49 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1vmf h THR 108 Cb 1.32 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1vmf h THR 108 CO 0.38 0.12 0.00 0.79 0.37 0.00 0.00 175.52 177.18 1vmf n TRP 109 N -4.85 0.55 -3.01 3.16 7.02 -1.26 -4.99 117.44 114.07 1vmf n TRP 109 Ca 0.17 -0.63 -0.40 0.00 -1.02 0.00 0.00 57.50 55.62 1vmf n TRP 109 Cb 0.43 -0.12 -0.05 0.00 -2.42 0.00 0.00 31.31 29.15 1vmf n TRP 109 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1vmf s GLN 110 N -1.61 4.38 0.15 -0.99 -0.21 -0.91 -0.95 119.66 119.51 1vmf s GLN 110 Ca 0.27 0.89 0.04 0.00 0.02 0.00 0.00 55.36 56.59 1vmf s GLN 110 Cb 0.18 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1vmf s GLN 110 CO 0.12 -0.07 -0.09 0.20 -2.12 0.00 0.00 175.29 173.32 1vmf s GLY 111 N 0.94 1.09 -0.19 3.09 0.00 -0.26 -4.74 107.32 107.24 1vmf s GLY 111 Ca 0.37 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 1vmf s GLY 111 CO 0.16 -1.59 0.18 0.14 0.00 0.00 0.00 173.10 171.98 1vmf s VAL 112 N -3.34 5.38 -0.07 1.40 1.01 -1.26 -1.21 120.40 122.30 1vmf s VAL 112 Ca 0.17 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1vmf s VAL 112 Cb 0.03 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1vmf s VAL 112 CO 0.01 0.42 -0.24 -0.31 0.00 0.00 0.00 175.10 174.97 1vmf s TYR 113 N 0.46 2.40 -0.25 5.22 2.02 0.50 -0.40 117.35 127.30 1vmf s TYR 113 Ca 0.10 -0.79 -0.27 0.00 -0.37 0.00 0.00 57.07 55.74 1vmf s TYR 113 Cb -0.12 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1vmf s TYR 113 CO 0.00 -0.27 0.96 0.12 -1.57 0.00 0.00 175.55 174.79 1vmf s PHE 114 N -0.01 3.30 -0.51 2.71 2.19 0.22 -1.73 117.98 124.14 1vmf s PHE 114 Ca -0.08 1.28 -0.11 0.00 0.33 0.00 0.00 56.93 58.35 1vmf s PHE 114 Cb -0.15 -3.25 0.13 0.00 -1.31 0.00 0.00 43.02 38.44 1vmf s PHE 114 CO 0.05 -0.50 0.41 0.00 1.83 0.00 0.00 175.22 177.01 1vmf s GLU 116 N 1.33 4.50 0.00 0.00 2.56 0.11 -1.01 118.70 126.19 1vmf s GLU 116 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 54.97 56.45 1vmf s GLU 116 Cb -0.26 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.37 1vmf s GLU 116 CO -0.00 -0.17 0.47 1.19 -0.56 0.00 0.00 175.26 176.19 1vmf n PHE 117 N 4.37 0.00 -2.79 5.30 3.72 -1.03 -1.53 117.46 125.51 1vmf n PHE 117 Ca 0.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 57.45 57.44 1vmf n PHE 117 Cb 0.50 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.09 1vmf n PHE 117 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1vmf n ASP 118 N -0.01 1.19 -3.80 4.37 2.03 -0.93 -4.52 116.55 114.88 1vmf n ASP 118 Ca 0.00 -2.18 -0.23 0.00 0.52 0.00 0.00 54.79 52.90 1vmf n ASP 118 Cb 0.03 -0.35 0.15 0.00 -0.72 0.00 0.00 41.12 40.23 1vmf n ASP 118 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vmf n GLY 119 N -0.58 -0.68 3.77 0.27 0.00 -0.45 -4.66 105.19 102.86 1vmf n GLY 119 Ca 0.05 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1vmf n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vmf s PRO 120 N -5.16 4.50 0.01 1.61 0.04 -1.23 -3.46 135.00 131.30 1vmf s PRO 120 Ca 0.61 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1vmf s PRO 120 Cb -0.02 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1vmf s PRO 120 CO 0.42 0.16 -0.04 1.03 0.04 0.00 0.00 177.00 178.61 1vmf s ARG 121 N -1.93 0.33 0.24 4.56 1.81 -1.14 -4.96 118.95 117.85 1vmf s ARG 121 Ca 0.50 -0.37 0.22 0.00 -1.72 0.00 0.00 55.73 54.36 1vmf s ARG 121 Cb -0.24 -0.18 0.05 0.00 -0.45 0.00 0.00 34.95 34.13 1vmf s ARG 121 CO 0.30 0.04 1.14 1.79 -0.68 0.00 0.00 175.30 177.89 1vmf h THR 122 N 4.85 0.08 -2.09 0.02 1.35 -1.85 0.25 112.91 115.52 1vmf h THR 122 Ca -0.30 -1.14 -0.56 0.00 -0.55 0.00 0.00 66.41 63.86 1vmf h THR 122 Cb 1.20 1.68 -0.40 0.00 -1.73 0.00 0.00 68.15 68.89 1vmf h THR 122 CO 0.46 0.04 -0.93 -3.20 -0.25 0.00 0.00 175.52 171.65 1vmf n ASN 123 N -2.80 1.81 -4.87 5.36 2.85 -1.26 -4.40 115.26 111.96 1vmf n ASN 123 Ca -0.00 -3.08 -0.33 0.00 -0.11 0.00 0.00 54.58 51.05 1vmf n ASN 123 Cb 0.58 -0.63 -0.05 0.00 1.24 0.00 0.00 39.78 40.91 1vmf n ASN 123 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1vmf s ARG 124 N -2.07 3.82 0.01 1.20 1.81 -0.41 -4.95 118.95 118.35 1vmf s ARG 124 Ca 0.39 0.27 0.02 0.00 -1.72 0.00 0.00 55.73 54.69 1vmf s ARG 124 Cb 0.22 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 1vmf s ARG 124 CO -0.08 0.43 -0.05 0.15 -0.68 0.00 0.00 175.30 175.07 1vmf s LYS 125 N -2.37 0.41 0.06 3.54 -0.14 -1.26 -1.07 119.74 118.92 1vmf s LYS 125 Ca 0.41 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.76 1vmf s LYS 125 Cb -0.13 -0.35 -0.03 0.00 -1.68 0.00 0.00 37.83 35.64 1vmf s LYS 125 CO 0.20 0.09 -0.09 -0.59 -0.76 0.00 0.00 175.35 174.20 1vmf s PHE 126 N -0.38 0.86 -0.06 3.18 -0.71 -0.73 -2.34 117.98 117.80 1vmf s PHE 126 Ca -0.01 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.34 1vmf s PHE 126 Cb -0.04 -0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 1vmf s PHE 126 CO -0.00 -0.05 -0.13 0.08 -1.34 0.00 0.00 175.22 173.78 1vmf s VAL 127 N -1.83 3.17 -0.22 -2.49 1.01 0.63 -0.49 120.40 120.19 1vmf s VAL 127 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1vmf s VAL 127 Cb -0.07 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1vmf s VAL 127 CO 0.00 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.86 1vmf s VAL 128 N -0.62 2.36 -0.18 2.92 1.01 0.51 -0.52 120.40 125.88 1vmf s VAL 128 Ca 0.09 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1vmf s VAL 128 Cb -0.11 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1vmf s VAL 128 CO 0.01 0.34 -0.10 -0.75 0.00 0.00 0.00 175.10 174.60 1vmf s LYS 129 N 1.27 3.33 -0.09 2.72 2.47 -0.06 -1.20 119.74 128.19 1vmf s LYS 129 Ca 0.01 -0.67 -0.05 0.00 -1.56 0.00 0.00 55.97 53.70 1vmf s LYS 129 Cb -0.15 -2.80 -0.04 0.00 -1.46 0.00 0.00 37.83 33.38 1vmf s LYS 129 CO -0.09 -0.03 0.12 -0.51 0.16 0.00 0.00 175.35 175.00 1vmf s LEU 130 N 1.00 4.21 -0.06 5.43 1.43 -0.66 -0.47 118.68 129.55 1vmf s LEU 130 Ca -0.01 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1vmf s LEU 130 Cb -0.15 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 1vmf s LEU 130 CO -0.01 0.37 -0.18 -0.76 0.23 0.00 0.00 176.35 176.01 1vmf s LEU 131 N -1.19 2.51 0.07 1.79 1.43 -0.01 -4.76 118.68 118.52 1vmf s LEU 131 Ca 0.17 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1vmf s LEU 131 Cb -0.12 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1vmf s LEU 131 CO 0.07 0.29 0.11 0.28 0.23 0.00 0.00 176.35 177.32 1vmf s THR 132 N -0.39 4.72 -0.60 5.49 -1.32 -1.26 -1.29 115.64 120.98 1vmf s THR 132 Ca 0.04 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1vmf s THR 132 Cb -0.12 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1vmf s THR 132 CO 0.02 0.13 0.15 0.47 -2.21 0.00 0.00 174.62 173.18