#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vmf n HIS -1 N 0.00 -2.47 -4.11 -1.40 8.25 -1.26 -1.42 115.22 112.81 1vmf n HIS -1 Ca 0.00 0.81 -0.33 0.00 -0.26 0.00 0.00 57.72 57.94 1vmf n HIS -1 Cb 0.00 -4.68 -0.04 0.00 1.12 0.00 0.00 29.99 26.40 1vmf n HIS -1 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vmf n HIS 0 N -4.77 -1.45 -4.43 4.41 8.25 -1.26 -4.62 115.22 111.34 1vmf n HIS 0 Ca -0.03 0.50 -0.22 0.00 -0.26 0.00 0.00 57.72 57.71 1vmf n HIS 0 Cb 0.58 -3.10 -0.16 0.00 1.12 0.00 0.00 29.99 28.43 1vmf n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1vmf s MET 1 N -7.05 1.17 -0.01 -0.41 -2.45 -0.51 -0.83 119.30 109.21 1vmf s MET 1 Ca 0.16 -0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 1vmf s MET 1 Cb -0.08 -1.05 0.01 0.00 1.25 0.00 0.00 34.83 34.95 1vmf s MET 1 CO 0.95 0.07 -0.00 0.21 1.05 0.00 0.00 175.02 177.30 1vmf s LYS 2 N 0.40 0.07 -0.14 4.11 2.20 -0.31 -4.93 119.74 121.14 1vmf s LYS 2 Ca -0.07 0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 55.41 1vmf s LYS 2 Cb -0.11 -0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.04 1vmf s LYS 2 CO 0.01 -0.02 0.29 0.99 -0.36 0.00 0.00 175.35 176.27 1vmf s THR 3 N 0.20 5.29 0.09 3.43 2.01 -1.26 -0.77 115.64 124.63 1vmf s THR 3 Ca -0.02 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1vmf s THR 3 Cb -0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1vmf s THR 3 CO -0.01 0.44 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 1vmf s PHE 4 N 0.12 2.78 -0.02 4.92 0.40 0.30 -4.99 117.98 121.48 1vmf s PHE 4 Ca 0.17 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.44 1vmf s PHE 4 Cb -0.13 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1vmf s PHE 4 CO 0.05 0.42 -0.24 -1.01 0.70 0.00 0.00 175.22 175.14 1vmf s HIS 5 N -1.18 2.18 0.04 0.36 3.76 -1.26 -1.65 115.29 117.54 1vmf s HIS 5 Ca 0.21 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 1vmf s HIS 5 Cb -0.11 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 1vmf s HIS 5 CO 0.13 -0.07 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.36 1vmf s LEU 6 N -0.49 2.21 -0.14 0.89 1.43 0.07 -4.99 118.68 117.66 1vmf s LEU 6 Ca 0.07 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1vmf s LEU 6 Cb -0.10 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 1vmf s LEU 6 CO -0.00 -0.14 -0.09 -0.89 0.23 0.00 0.00 176.35 175.46 1vmf s THR 7 N -1.14 3.38 0.11 5.49 2.01 -1.26 -1.44 115.64 122.79 1vmf s THR 7 Ca -0.07 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1vmf s THR 7 Cb -0.09 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1vmf s THR 7 CO 0.00 0.51 0.18 0.42 -0.69 0.00 0.00 174.62 175.04 1vmf s THR 8 N 0.42 4.99 -0.43 -0.82 -4.23 0.11 -4.98 115.64 110.71 1vmf s THR 8 Ca -0.07 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.84 1vmf s THR 8 Cb -0.15 -3.48 -0.11 0.00 1.34 0.00 0.00 72.50 70.09 1vmf s THR 8 CO 0.04 0.03 0.40 0.00 -0.54 0.00 0.00 174.62 174.55 1vmf n GLN 9 N -0.01 3.41 -4.07 3.99 3.00 -1.26 -2.88 117.38 119.56 1vmf n GLN 9 Ca -0.07 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1vmf n GLN 9 Cb 0.53 -0.99 -0.07 0.00 0.00 0.00 0.00 30.24 29.71 1vmf n GLN 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1vmf s SER 10 N -2.05 0.09 0.14 1.08 1.04 -1.26 -4.68 113.70 108.06 1vmf s SER 10 Ca 0.03 -1.13 -0.23 0.00 0.48 0.00 0.00 55.95 55.11 1vmf s SER 10 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1vmf s SER 10 CO 0.41 -1.07 1.65 -0.09 0.98 0.00 0.00 173.24 175.12 1vmf h ARG 11 N 2.35 -0.23 -5.29 4.02 2.43 -1.92 -3.24 114.38 112.49 1vmf h ARG 11 Ca -0.29 0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.25 1vmf h ARG 11 Cb 1.25 0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 30.61 1vmf h ARG 11 CO 0.41 -0.15 -0.70 -0.51 -1.51 0.00 0.00 179.97 177.50 1vmf s ASP 12 N -5.03 4.50 -0.24 -3.80 1.01 -1.26 -1.24 116.67 110.61 1vmf s ASP 12 Ca -0.15 -0.21 -0.17 0.00 0.71 0.00 0.00 52.55 52.73 1vmf s ASP 12 Cb 0.11 -1.72 0.07 0.00 1.01 0.00 0.00 42.92 42.39 1vmf s ASP 12 CO 0.68 0.16 0.62 -0.70 0.21 0.00 0.00 175.17 176.13 1vmf s GLU 13 N 0.43 0.67 -0.29 8.23 2.12 -0.53 -4.99 118.70 124.33 1vmf s GLU 13 Ca -0.06 1.00 -0.04 0.00 0.36 0.00 0.00 54.97 56.22 1vmf s GLU 13 Cb -0.15 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.48 1vmf s GLU 13 CO 0.04 -0.12 0.03 -1.64 -0.54 0.00 0.00 175.26 173.02 1vmf s MET 14 N 1.01 2.75 -0.24 4.30 -1.94 -1.26 -0.09 119.30 123.83 1vmf s MET 14 Ca -0.05 -1.07 -0.07 0.00 -1.71 0.00 0.00 55.69 52.79 1vmf s MET 14 Cb -0.05 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 1vmf s MET 14 CO -0.09 -0.53 0.06 0.08 -0.01 0.00 0.00 175.02 174.53 1vmf s VAL 15 N 1.37 4.33 -0.28 -6.03 1.01 -0.06 -4.94 120.40 115.81 1vmf s VAL 15 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1vmf s VAL 15 Cb -0.18 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1vmf s VAL 15 CO -0.00 0.36 1.45 -0.62 0.00 0.00 0.00 175.10 176.29 1vmf s ASP 16 N 1.39 6.50 -0.03 3.32 -1.08 -1.26 -0.82 116.67 124.70 1vmf s ASP 16 Ca 0.05 1.34 0.12 0.00 -0.52 0.00 0.00 52.55 53.55 1vmf s ASP 16 Cb -0.15 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.14 1vmf s ASP 16 CO 0.03 -1.20 1.30 2.30 0.52 0.00 0.00 175.17 178.12 1vmf n ILE 17 N 6.40 1.21 -0.10 4.11 -5.35 0.11 -4.71 119.36 121.02 1vmf n ILE 17 Ca 0.17 -1.13 -0.06 0.00 -0.27 0.00 0.00 62.75 61.46 1vmf n ILE 17 Cb 0.46 0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.76 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 2.12 0.82 -0.57 7.28 2.02 -1.88 -2.37 112.91 120.32 1vmf h THR 18 Ca 0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1vmf h THR 18 Cb 0.86 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1vmf h THR 18 CO 0.04 0.03 0.03 0.77 0.37 0.00 0.00 175.52 176.76 1vmf h SER 19 N 0.18 0.94 -0.39 4.18 4.64 -1.93 -0.41 113.55 120.76 1vmf h SER 19 Ca 0.16 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1vmf h SER 19 Cb 0.19 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1vmf h SER 19 CO -0.22 0.98 0.25 1.56 -0.87 0.00 0.00 176.83 178.52 1vmf h GLN 20 N 0.90 0.49 0.05 4.77 4.20 -1.82 0.14 115.11 123.83 1vmf h GLN 20 Ca 0.17 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1vmf h GLN 20 Cb 0.49 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1vmf h GLN 20 CO 0.02 0.32 -0.07 0.82 -0.67 0.00 0.00 178.83 179.25 1vmf h ILE 21 N 0.50 0.84 -0.43 2.54 2.04 -1.11 -2.62 117.51 119.26 1vmf h ILE 21 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1vmf h ILE 21 Cb -0.03 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1vmf h ILE 21 CO -0.05 0.00 0.23 -0.33 0.00 0.00 0.00 178.15 178.00 1vmf h GLU 22 N -0.15 0.61 -0.84 2.37 5.08 -0.78 -1.23 114.58 119.64 1vmf h GLU 22 Ca 0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1vmf h GLU 22 Cb 0.15 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1vmf h GLU 22 CO -0.03 0.49 0.56 1.15 -1.00 0.00 0.00 179.01 180.18 1vmf h THR 23 N 0.56 1.21 0.02 1.13 2.02 -0.74 -0.96 112.91 116.16 1vmf h THR 23 Ca 0.15 -0.39 -0.22 0.00 0.77 0.00 0.00 66.41 66.72 1vmf h THR 23 Cb 0.07 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1vmf h THR 23 CO -0.02 0.21 -0.97 -0.25 0.37 0.00 0.00 175.52 174.86 1vmf h TRP 24 N 1.14 0.44 -0.66 3.16 7.01 -1.07 -1.69 115.95 124.27 1vmf h TRP 24 Ca 0.31 -0.26 0.08 0.00 2.11 0.00 0.00 58.89 61.13 1vmf h TRP 24 Cb -0.13 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 26.83 1vmf h TRP 24 CO -0.00 1.10 0.34 0.82 -2.79 0.00 0.00 178.44 177.90 1vmf h ILE 25 N 0.15 0.89 -0.83 2.65 2.04 -0.83 -1.95 117.51 119.63 1vmf h ILE 25 Ca -0.07 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1vmf h ILE 25 Cb 1.62 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1vmf h ILE 25 CO 0.16 0.11 0.40 0.03 0.00 0.00 0.00 178.15 178.85 1vmf h ARG 26 N 0.60 1.20 -0.58 2.37 -0.00 -0.93 -2.15 114.38 114.89 1vmf h ARG 26 Ca 0.31 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.98 59.56 1vmf h ARG 26 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 29.97 30.00 1vmf h ARG 26 CO -0.23 0.92 0.14 0.93 0.00 0.00 0.00 179.97 181.73 1vmf h GLU 27 N 1.18 0.89 0.00 0.04 5.08 -0.77 -2.78 114.58 118.23 1vmf h GLU 27 Ca 0.29 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1vmf h GLU 27 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1vmf h GLU 27 CO -0.04 0.79 -0.35 1.79 -1.00 0.00 0.00 179.01 180.21 1vmf h THR 28 N 0.86 0.66 0.00 1.13 1.35 -1.00 -3.47 112.91 112.44 1vmf h THR 28 Ca 0.19 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1vmf h THR 28 Cb 0.30 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1vmf h THR 28 CO -0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1vmf n GLY 29 N 0.85 0.58 3.72 5.82 0.00 -0.84 -5.02 105.19 110.29 1vmf n GLY 29 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.25 2.81 -0.17 1.61 1.01 -1.22 -4.92 120.40 117.27 1vmf s VAL 30 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1vmf s VAL 30 Cb 0.00 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 1vmf s VAL 30 CO 0.00 0.04 -0.12 0.35 0.00 0.00 0.00 175.10 175.37 1vmf n THR 31 N 3.99 0.99 -3.82 3.92 -2.24 -1.26 -4.39 114.28 111.46 1vmf n THR 31 Ca 0.13 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1vmf n THR 31 Cb 0.40 -1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 67.44 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 -5.52 -0.02 0.00 3.42 0.01 -1.26 -0.23 114.94 111.34 1vmf s ASN 32 Ca -0.21 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1vmf s ASN 32 Cb 0.06 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1vmf s ASN 32 CO 0.43 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 1vmf n GLY 33 N 3.47 -0.26 3.08 0.66 0.00 -0.56 -1.70 105.19 109.88 1vmf n GLY 33 Ca -0.18 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 0.48 -0.13 1.61 -7.23 -0.27 -0.53 120.40 110.33 1vmf s VAL 34 Ca 0.00 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1vmf s VAL 34 Cb 0.00 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 36.03 1vmf s VAL 34 CO 0.00 -0.58 -0.22 0.00 -0.31 0.00 0.00 175.10 173.98 1vmf s ALA 35 N -2.21 2.25 -0.27 1.32 0.00 0.74 -0.88 121.76 122.71 1vmf s ALA 35 Ca -0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1vmf s ALA 35 Cb -0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1vmf s ALA 35 CO -0.02 0.02 0.18 0.42 0.00 0.00 0.00 175.76 176.36 1vmf s ILE 36 N 0.74 5.21 -0.28 0.00 -1.09 0.47 -0.29 121.20 125.96 1vmf s ILE 36 Ca -0.09 0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 1vmf s ILE 36 Cb -0.16 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1vmf s ILE 36 CO -0.00 0.26 0.00 -0.69 -1.23 0.00 0.00 174.94 173.28 1vmf s VAL 37 N 1.71 3.24 -0.11 2.92 1.01 -0.26 -1.09 120.40 127.83 1vmf s VAL 37 Ca 0.07 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1vmf s VAL 37 Cb -0.16 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1vmf s VAL 37 CO 0.10 0.06 -0.05 -0.55 0.00 0.00 0.00 175.10 174.66 1vmf s SER 38 N 1.35 2.10 0.46 3.32 0.15 0.10 -1.08 113.70 120.10 1vmf s SER 38 Ca -0.01 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 1vmf s SER 38 Cb -0.18 -0.72 -0.07 0.00 -1.71 0.00 0.00 66.02 63.34 1vmf s SER 38 CO -0.01 -0.15 1.35 -0.55 1.20 0.00 0.00 173.24 175.07 1vmf s SER 39 N 1.79 5.89 -0.10 5.45 0.15 0.46 -0.62 113.70 126.73 1vmf s SER 39 Ca 0.04 2.74 0.13 0.00 0.70 0.00 0.00 55.95 59.56 1vmf s SER 39 Cb -0.13 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.08 1vmf s SER 39 CO -0.07 -1.14 1.39 0.18 1.20 0.00 0.00 173.24 174.79 1vmf n LEU 40 N -0.32 3.71 -4.25 3.45 4.77 -0.99 -4.88 117.00 118.49 1vmf n LEU 40 Ca 0.06 -1.88 -0.19 0.00 -0.03 0.00 0.00 56.01 53.97 1vmf n LEU 40 Cb 0.44 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1vmf n LEU 40 CO 0.55 0.60 -0.47 -1.00 -1.33 0.00 0.00 177.39 175.75 1vmf s HIS 41 N -1.84 1.48 -2.75 -1.77 3.76 -1.26 -5.03 115.29 107.89 1vmf s HIS 41 Ca 0.37 -0.50 0.25 0.00 -0.15 0.00 0.00 55.06 55.03 1vmf s HIS 41 Cb 0.25 -0.78 0.56 0.00 1.11 0.00 0.00 32.58 33.71 1vmf s HIS 41 CO 0.17 0.16 1.47 0.25 -0.85 0.00 0.00 174.74 175.94 1vmf n THR 42 N 0.74 0.04 -0.84 1.30 -2.24 -1.26 -4.10 114.28 107.91 1vmf n THR 42 Ca -0.17 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.23 1vmf n THR 42 Cb 0.56 1.04 0.04 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.86 0.87 -3.78 4.28 -2.24 -1.26 -4.10 114.28 108.91 1vmf n THR 43 Ca 0.16 -0.98 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1vmf n THR 43 Cb 0.49 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.15 -0.44 0.12 6.98 0.00 -1.26 -2.30 121.76 123.71 1vmf s ALA 44 Ca 0.09 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1vmf s ALA 44 Cb 0.08 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1vmf s ALA 44 CO 0.01 -0.12 0.01 0.41 0.00 0.00 0.00 175.76 176.06 1vmf n GLY 45 N 3.47 4.02 3.00 0.00 0.00 0.01 -4.47 105.19 111.22 1vmf n GLY 45 Ca -0.18 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.52 0.92 0.13 -0.61 -1.09 -0.21 -0.29 121.20 118.53 1vmf s ILE 46 Ca 0.01 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1vmf s ILE 46 Cb 0.00 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 40.00 1vmf s ILE 46 CO 0.01 0.30 0.10 0.28 -1.23 0.00 0.00 174.94 174.39 1vmf s THR 47 N 0.52 0.10 -0.13 2.92 -1.32 -0.51 -4.36 115.64 112.85 1vmf s THR 47 Ca -0.10 -1.80 -0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1vmf s THR 47 Cb -0.13 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 1vmf s THR 47 CO 0.02 -0.45 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.15 1vmf s VAL 48 N -4.03 3.04 0.00 5.08 1.01 -1.26 -0.23 120.40 124.01 1vmf s VAL 48 Ca 0.22 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1vmf s VAL 48 Cb 0.07 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1vmf s VAL 48 CO 0.01 0.52 0.00 -3.20 0.00 0.00 0.00 175.10 172.43 1vmf n ASN 49 N 3.55 0.00 -4.75 3.32 2.85 -0.49 -4.94 115.26 114.81 1vmf n ASN 49 Ca -0.18 -0.59 -0.41 0.00 -0.11 0.00 0.00 54.58 53.28 1vmf n ASN 49 Cb 0.53 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.78 4.24 0.00 1.20 -6.30 -1.25 -0.81 118.70 115.00 1vmf s GLU 50 Ca 0.00 2.36 0.18 0.00 -2.50 0.00 0.00 54.97 55.02 1vmf s GLU 50 Cb 0.00 -3.08 0.37 0.00 0.00 0.00 0.00 34.13 31.42 1vmf s GLU 50 CO 0.00 -0.44 1.30 0.27 0.02 0.00 0.00 175.26 176.40 1vmf n ASN 51 N 2.01 3.17 0.00 -1.70 0.23 -0.02 -4.70 115.26 114.24 1vmf n ASN 51 Ca 0.06 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1vmf n ASN 51 Cb 0.40 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1vmf n ASN 51 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vmf n ALA 52 N 1.16 2.12 -2.63 -2.53 0.00 -1.26 -4.97 120.51 112.41 1vmf n ALA 52 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1vmf n ALA 52 Cb 0.52 0.39 -0.11 0.00 0.00 0.00 0.00 19.45 20.25 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 -3.92 5.93 0.54 0.00 2.15 -1.26 -4.96 116.67 115.15 1vmf s ASP 53 Ca 0.00 -0.90 0.36 0.00 0.43 0.00 0.00 52.55 52.44 1vmf s ASP 53 Cb 0.00 -2.10 1.86 0.00 -0.30 0.00 0.00 42.92 42.39 1vmf s ASP 53 CO 0.00 -0.40 2.10 1.55 -0.17 0.00 0.00 175.17 178.25 1vmf h PRO 54 N 8.53 0.00 0.00 4.34 0.13 -1.95 -1.67 132.00 141.39 1vmf h PRO 54 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1vmf h PRO 54 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1vmf h PRO 54 CO 0.70 0.00 -0.14 -0.44 -0.23 0.00 0.00 178.00 177.89 1vmf h ASP 55 N 0.00 0.00 -0.07 1.44 3.32 -1.99 -1.84 116.42 117.29 1vmf h ASP 55 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vmf h ASP 55 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1vmf h ASP 55 CO 0.00 0.14 0.04 0.58 -1.72 0.00 0.00 179.24 178.27 1vmf h VAL 56 N 0.00 1.10 -0.11 -1.35 2.07 -1.69 -0.23 116.25 116.04 1vmf h VAL 56 Ca -0.00 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 1vmf h VAL 56 Cb 0.51 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1vmf h VAL 56 CO 0.02 0.09 -0.62 0.11 0.02 0.00 0.00 177.57 177.19 1vmf h LYS 57 N 0.00 0.40 -0.48 1.57 6.56 -1.62 0.15 116.57 123.16 1vmf h LYS 57 Ca 0.02 -0.28 0.05 0.00 -1.06 0.00 0.00 60.65 59.39 1vmf h LYS 57 Cb 0.11 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 31.76 1vmf h LYS 57 CO -0.00 0.89 0.21 0.00 -2.06 0.00 0.00 179.45 178.49 1vmf h ARG 58 N 0.30 0.40 -0.36 3.15 3.08 -1.24 -1.27 114.38 118.43 1vmf h ARG 58 Ca -0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1vmf h ARG 58 Cb 1.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1vmf h ARG 58 CO 0.11 0.26 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.62 1vmf h ASP 59 N 0.41 0.70 -0.36 7.04 5.19 -0.65 -0.83 116.42 127.92 1vmf h ASP 59 Ca 0.22 -0.24 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1vmf h ASP 59 Cb 0.18 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 1vmf h ASP 59 CO -0.19 0.90 0.17 0.24 -3.12 0.00 0.00 179.24 177.24 1vmf h MET 60 N 0.61 0.35 -0.42 3.56 2.86 -0.64 0.36 114.93 121.60 1vmf h MET 60 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1vmf h MET 60 Cb 0.69 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1vmf h MET 60 CO 0.05 0.23 0.22 0.82 1.06 0.00 0.00 176.91 179.29 1vmf h ILE 61 N 0.36 1.17 -0.16 -1.22 2.04 -1.04 -1.17 117.51 117.48 1vmf h ILE 61 Ca 0.15 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1vmf h ILE 61 Cb 0.07 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1vmf h ILE 61 CO -0.11 0.18 0.09 -0.03 0.00 0.00 0.00 178.15 178.28 1vmf h MET 62 N 0.55 0.23 -0.37 2.37 4.05 -0.90 -0.91 114.93 119.93 1vmf h MET 62 Ca 0.15 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1vmf h MET 62 Cb 0.09 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1vmf h MET 62 CO -0.02 0.23 0.17 0.00 0.23 0.00 0.00 176.91 177.51 1vmf h ARG 63 N 0.16 0.55 -0.28 0.39 2.47 -0.77 -2.25 114.38 114.65 1vmf h ARG 63 Ca 0.06 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1vmf h ARG 63 Cb 0.07 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1vmf h ARG 63 CO -0.01 0.51 0.08 -0.07 0.56 0.00 0.00 179.97 181.04 1vmf h LEU 64 N 0.46 0.36 -1.35 3.04 3.38 -1.11 -0.34 115.31 119.75 1vmf h LEU 64 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1vmf h LEU 64 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vmf h LEU 64 CO -0.01 0.36 -0.18 -0.78 0.09 0.00 0.00 178.44 177.92 1vmf h ASP 65 N 0.40 0.20 0.15 -0.43 3.58 -0.72 -0.19 116.42 119.41 1vmf h ASP 65 Ca 0.10 -0.05 -0.30 0.00 0.42 0.00 0.00 57.03 57.20 1vmf h ASP 65 Cb 0.14 -0.05 0.03 0.00 1.72 0.00 0.00 39.33 41.17 1vmf h ASP 65 CO -0.01 0.40 -1.26 -0.33 -2.88 0.00 0.00 179.24 175.16 1vmf h GLU 66 N 0.19 0.61 -0.54 0.28 5.08 -0.69 -2.84 114.58 116.68 1vmf h GLU 66 Ca 0.04 -0.83 -0.06 0.00 -1.00 0.00 0.00 59.36 57.51 1vmf h GLU 66 Cb 0.44 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1vmf h GLU 66 CO 0.03 1.38 0.12 0.28 -1.00 0.00 0.00 179.01 179.82 1vmf h VAL 67 N 0.27 1.25 -2.95 3.13 2.07 -0.96 -3.35 116.25 115.71 1vmf h VAL 67 Ca -0.19 -0.89 -0.61 0.00 0.82 0.00 0.00 66.70 65.82 1vmf h VAL 67 Cb 1.93 0.78 -0.41 0.00 -1.52 0.00 0.00 31.29 32.08 1vmf h VAL 67 CO 0.24 0.33 -0.66 -0.31 0.02 0.00 0.00 177.57 177.19 1vmf s TYR 68 N -5.28 3.06 0.63 1.57 2.02 -0.10 -5.10 117.35 114.15 1vmf s TYR 68 Ca -0.13 -3.13 -0.19 0.00 -0.37 0.00 0.00 57.07 53.26 1vmf s TYR 68 Cb 0.12 -2.34 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1vmf s TYR 68 CO 0.81 -0.61 1.28 -2.30 -1.57 0.00 0.00 175.55 173.16 1vmf n PRO 69 N 2.18 1.19 0.02 -1.71 -0.02 -1.07 -4.58 135.00 131.01 1vmf n PRO 69 Ca 0.21 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1vmf n PRO 69 Cb 0.37 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.66 -0.02 -3.32 6.00 2.91 -1.96 -3.42 115.95 116.80 1vmf h TRP 70 Ca -0.51 -0.00 -0.57 0.00 1.13 0.00 0.00 58.89 58.95 1vmf h TRP 70 Cb 1.34 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.94 1vmf h TRP 70 CO 0.41 0.20 0.01 -1.58 -1.03 0.00 0.00 178.44 176.45 1vmf s HIS 71 N -5.33 3.66 -0.08 2.65 2.46 -1.26 -4.60 115.29 112.79 1vmf s HIS 71 Ca -0.14 1.21 -0.03 0.00 0.47 0.00 0.00 55.06 56.56 1vmf s HIS 71 Cb 0.04 -2.65 0.04 0.00 -0.13 0.00 0.00 32.58 29.89 1vmf s HIS 71 CO 0.66 0.30 0.17 -1.58 -2.47 0.00 0.00 174.74 171.82 1vmf s HIS 72 N -0.00 -0.21 0.59 3.88 2.46 -1.26 -5.04 115.29 115.70 1vmf s HIS 72 Ca 0.32 0.57 0.28 0.00 0.47 0.00 0.00 55.06 56.71 1vmf s HIS 72 Cb -0.18 -0.09 1.73 0.00 -0.13 0.00 0.00 32.58 33.92 1vmf s HIS 72 CO 0.17 -0.20 2.20 1.05 -2.47 0.00 0.00 174.74 175.49 1vmf h GLU 73 N 7.44 0.00 -0.01 2.88 4.11 -2.00 -2.30 114.58 124.70 1vmf h GLU 73 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1vmf h GLU 73 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1vmf h GLU 73 CO 0.36 0.00 -0.30 0.09 0.07 0.00 0.00 179.01 179.23 1vmf n ASN 74 N -3.88 1.20 -4.77 3.06 3.02 -1.26 -4.94 115.26 107.69 1vmf n ASN 74 Ca -0.01 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.13 1vmf n ASN 74 Cb 0.16 0.20 -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 -2.50 6.66 -0.01 6.41 1.01 -0.87 -4.94 116.67 122.43 1vmf s ASP 75 Ca 0.23 2.77 0.10 0.00 0.71 0.00 0.00 52.55 56.35 1vmf s ASP 75 Cb 0.19 -2.65 -0.14 0.00 1.01 0.00 0.00 42.92 41.33 1vmf s ASP 75 CO 0.53 -0.64 0.24 0.54 0.21 0.00 0.00 175.17 176.06 1vmf n ARG 76 N 0.97 0.97 -1.92 8.23 1.74 -1.26 -4.99 116.66 120.41 1vmf n ARG 76 Ca 0.01 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.59 1vmf n ARG 76 Cb 0.41 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.52 1.70 0.41 -1.55 2.46 -1.26 -4.85 115.29 109.68 1vmf s HIS 77 Ca -0.02 0.53 0.15 0.00 0.47 0.00 0.00 55.06 56.19 1vmf s HIS 77 Cb 0.06 -4.07 1.03 0.00 -0.13 0.00 0.00 32.58 29.47 1vmf s HIS 77 CO 0.39 -3.34 1.89 0.52 -2.47 0.00 0.00 174.74 171.73 1vmf h MET 78 N 12.83 0.44 0.00 2.88 2.86 -2.04 -2.20 114.93 129.69 1vmf h MET 78 Ca -0.36 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1vmf h MET 78 Cb 1.18 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1vmf h MET 78 CO 1.00 0.29 -0.14 1.49 1.06 0.00 0.00 176.91 180.62 1vmf h GLU 79 N 0.46 0.00 0.00 1.72 4.22 -2.03 -3.46 114.58 115.48 1vmf h GLU 79 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1vmf h GLU 79 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1vmf h GLU 79 CO -0.15 0.14 0.00 0.41 -2.18 0.00 0.00 179.01 177.22 1vmf n GLY 80 N -0.59 0.72 1.35 1.92 0.00 -0.83 -4.95 105.19 102.82 1vmf n GLY 80 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 2.90 -0.26 1.61 0.23 -1.26 -4.71 115.26 113.76 1vmf n ASN 81 Ca 0.00 -3.79 0.07 0.00 -0.53 0.00 0.00 54.58 50.34 1vmf n ASN 81 Cb 0.00 -0.65 0.21 0.00 -2.08 0.00 0.00 39.78 37.26 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 1.07 0.44 -0.72 5.53 2.02 -1.87 -0.71 112.91 118.67 1vmf h THR 82 Ca 0.28 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.41 1vmf h THR 82 Cb 1.70 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1vmf h THR 82 CO 0.51 0.04 0.47 0.00 0.37 0.00 0.00 175.52 176.92 1vmf h ALA 83 N 1.67 1.59 -0.52 6.16 0.00 -1.83 -1.40 119.26 124.93 1vmf h ALA 83 Ca 0.45 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1vmf h ALA 83 Cb 0.81 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1vmf h ALA 83 CO -0.57 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 178.95 1vmf h ALA 84 N 1.58 0.89 -0.70 0.00 0.00 -1.36 -1.03 119.26 118.64 1vmf h ALA 84 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vmf h ALA 84 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1vmf h ALA 84 CO -0.08 0.64 0.44 0.45 0.00 0.00 0.00 179.25 180.70 1vmf h HIS 85 N 0.85 0.91 -0.26 0.00 3.86 -1.08 -1.55 115.15 117.88 1vmf h HIS 85 Ca 0.14 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1vmf h HIS 85 Cb 0.59 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1vmf h HIS 85 CO 0.04 0.60 0.05 -0.07 0.86 0.00 0.00 177.93 179.40 1vmf h LEU 86 N 0.95 0.41 -0.91 2.43 -0.00 -1.06 -2.15 115.31 114.98 1vmf h LEU 86 Ca 0.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1vmf h LEU 86 Cb -0.06 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 1vmf h LEU 86 CO -0.05 0.56 0.53 0.11 -0.00 0.00 0.00 178.44 179.59 1vmf h LYS 87 N 0.25 1.25 -0.27 1.13 1.57 -1.09 -1.11 116.57 118.31 1vmf h LYS 87 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1vmf h LYS 87 Cb 0.32 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1vmf h LYS 87 CO 0.00 0.89 0.15 1.15 -0.57 0.00 0.00 179.45 181.07 1vmf h THR 88 N 1.26 1.12 0.00 -0.16 2.02 -1.16 -1.33 112.91 114.67 1vmf h THR 88 Ca 0.32 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1vmf h THR 88 Cb -0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1vmf h THR 88 CO -0.06 0.12 -0.31 0.28 0.37 0.00 0.00 175.52 175.93 1vmf h SER 89 N 0.32 0.00 0.01 4.18 0.02 -1.08 0.45 113.55 117.46 1vmf h SER 89 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1vmf h SER 89 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1vmf h SER 89 CO -0.02 0.31 -0.01 0.74 -1.14 0.00 0.00 176.83 176.72 1vmf h THR 90 N 0.00 1.41 0.00 -2.27 2.02 -0.80 -3.27 112.91 109.99 1vmf h THR 90 Ca -0.00 -1.28 -0.11 0.00 0.77 0.00 0.00 66.41 65.79 1vmf h THR 90 Cb 0.60 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1vmf h THR 90 CO 0.04 0.33 -0.50 -0.37 0.37 0.00 0.00 175.52 175.38 1vmf h VAL 91 N -0.57 0.86 0.00 3.16 -1.51 -1.29 -3.50 116.25 113.40 1vmf h VAL 91 Ca -0.00 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 1vmf h VAL 91 Cb 0.55 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1vmf h VAL 91 CO 0.00 0.49 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1vmf n GLY 92 N 1.23 2.58 0.16 5.19 0.00 0.15 -4.71 105.19 109.78 1vmf n GLY 92 Ca 0.02 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.53 1.61 2.07 -1.83 -0.55 115.15 112.92 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 -0.18 0.00 2.57 0.00 0.00 27.41 29.80 1vmf h HIS 93 CO 0.00 0.00 -0.42 0.00 -3.07 0.00 0.00 177.93 174.44 1vmf s ALA 94 N -3.18 -0.36 0.02 6.11 0.00 -1.26 -0.40 121.76 122.69 1vmf s ALA 94 Ca 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1vmf s ALA 94 Cb 0.09 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1vmf s ALA 94 CO 0.66 -0.31 -0.12 -0.65 0.00 0.00 0.00 175.76 175.34 1vmf s GLN 95 N -2.17 0.82 -0.26 0.00 -1.52 -0.24 -4.89 119.66 111.40 1vmf s GLN 95 Ca -0.08 -0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 52.64 1vmf s GLN 95 Cb -0.03 -0.78 -0.03 0.00 -0.22 0.00 0.00 33.01 31.95 1vmf s GLN 95 CO -0.02 0.20 0.09 0.99 -0.25 0.00 0.00 175.29 176.30 1vmf s THR 96 N -0.71 4.40 0.07 -0.19 2.01 -1.26 -1.10 115.64 118.87 1vmf s THR 96 Ca 0.01 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1vmf s THR 96 Cb -0.07 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1vmf s THR 96 CO 0.01 0.29 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.38 1vmf s LEU 97 N 1.62 3.05 0.03 4.42 1.43 0.60 -4.97 118.68 124.86 1vmf s LEU 97 Ca 0.06 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1vmf s LEU 97 Cb -0.15 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1vmf s LEU 97 CO 0.04 0.22 0.44 -0.63 0.23 0.00 0.00 176.35 176.65 1vmf s ILE 98 N -1.12 4.98 -0.19 -0.59 1.01 -1.26 -0.18 121.20 123.84 1vmf s ILE 98 Ca 0.20 0.85 -0.04 0.00 0.00 0.00 0.00 60.65 61.67 1vmf s ILE 98 Cb -0.11 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1vmf s ILE 98 CO 0.11 0.52 -0.04 -0.63 0.00 0.00 0.00 174.94 174.90 1vmf s ILE 99 N -1.15 3.61 -0.04 2.92 1.01 0.31 -0.50 121.20 127.36 1vmf s ILE 99 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1vmf s ILE 99 Cb -0.17 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.72 1vmf s ILE 99 CO 0.15 0.46 -0.00 -0.55 0.00 0.00 0.00 174.94 174.99 1vmf s SER 100 N 0.91 0.69 -1.63 3.58 0.15 -0.19 -1.50 113.70 115.70 1vmf s SER 100 Ca -0.00 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 1vmf s SER 100 Cb -0.15 -0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.01 1vmf s SER 100 CO 0.01 -0.11 0.81 -0.62 1.20 0.00 0.00 173.24 174.53 1vmf n GLU 101 N 4.31 -3.81 -0.90 5.44 -0.58 -0.19 -1.06 120.64 123.85 1vmf n GLU 101 Ca -0.23 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1vmf n GLU 101 Cb 0.50 -5.15 0.00 0.00 -0.57 0.00 0.00 31.44 26.22 1vmf n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vmf n GLY 102 N -1.53 0.89 3.42 0.62 0.00 0.68 -5.02 105.19 104.25 1vmf n GLY 102 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.10 1.51 0.18 1.61 0.52 -0.22 -4.76 118.95 117.69 1vmf s ARG 103 Ca 0.00 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.33 1vmf s ARG 103 Cb 0.00 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 1vmf s ARG 103 CO 0.00 0.35 1.27 -0.51 0.02 0.00 0.00 175.30 176.43 1vmf s LEU 104 N -2.93 4.42 -0.92 2.53 1.43 -1.26 -1.02 118.68 120.92 1vmf s LEU 104 Ca 0.22 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.41 1vmf s LEU 104 Cb -0.06 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.62 1vmf s LEU 104 CO 0.11 -0.48 1.31 -0.69 0.23 0.00 0.00 176.35 176.82 1vmf s VAL 105 N 0.21 4.09 0.01 -1.59 1.01 0.34 -4.90 120.40 119.58 1vmf s VAL 105 Ca 0.56 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1vmf s VAL 105 Cb -0.35 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.08 1vmf s VAL 105 CO 0.36 -1.79 -0.08 -0.76 0.00 0.00 0.00 175.10 172.83 1vmf s LEU 106 N 4.54 2.08 1.05 3.92 1.43 -1.26 -4.66 118.68 125.77 1vmf s LEU 106 Ca 0.39 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1vmf s LEU 106 Cb -0.04 -0.36 0.22 0.00 0.03 0.00 0.00 46.19 46.04 1vmf s LEU 106 CO -0.04 0.03 1.07 -0.83 0.23 0.00 0.00 176.35 176.81 1vmf s GLY 107 N -0.54 1.58 0.40 -3.19 0.00 -1.26 -4.90 107.32 99.40 1vmf s GLY 107 Ca 0.00 -0.10 0.17 0.00 0.00 0.00 0.00 44.72 44.79 1vmf s GLY 107 CO 0.00 0.52 1.81 -0.84 0.00 0.00 0.00 173.10 174.59 1vmf h THR 108 N -2.17 0.61 -0.30 0.90 2.02 -2.01 -2.16 112.91 109.80 1vmf h THR 108 Ca -0.56 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1vmf h THR 108 Cb 1.32 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1vmf h THR 108 CO 0.52 0.08 0.00 0.79 0.37 0.00 0.00 175.52 177.28 1vmf n TRP 109 N -4.59 0.39 -3.16 3.16 7.02 -1.26 -4.96 117.44 114.04 1vmf n TRP 109 Ca 0.22 -0.32 -0.39 0.00 -1.02 0.00 0.00 57.50 55.99 1vmf n TRP 109 Cb 0.77 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.59 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 -1.07 4.35 0.18 -0.99 -0.21 -0.82 -0.84 119.66 120.26 1vmf s GLN 110 Ca 0.25 0.67 0.05 0.00 0.02 0.00 0.00 55.36 56.35 1vmf s GLN 110 Cb 0.14 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 1vmf s GLN 110 CO 0.20 0.03 -0.09 0.20 -2.12 0.00 0.00 175.29 173.50 1vmf s GLY 111 N 0.82 1.24 -0.21 3.09 0.00 0.01 -4.74 107.32 107.53 1vmf s GLY 111 Ca 0.31 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 1vmf s GLY 111 CO 0.14 -1.65 0.16 0.14 0.00 0.00 0.00 173.10 171.89 1vmf s VAL 112 N -3.26 5.38 -0.07 1.40 1.01 -1.26 -1.39 120.40 122.21 1vmf s VAL 112 Ca 0.20 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.47 1vmf s VAL 112 Cb 0.02 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1vmf s VAL 112 CO 0.03 0.40 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1vmf s TYR 113 N 0.62 2.51 -0.20 5.22 2.02 0.68 -0.71 117.35 127.49 1vmf s TYR 113 Ca 0.09 -0.71 -0.28 0.00 -0.37 0.00 0.00 57.07 55.80 1vmf s TYR 113 Cb -0.12 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1vmf s TYR 113 CO 0.01 -0.21 0.99 0.12 -1.57 0.00 0.00 175.55 174.89 1vmf s PHE 114 N -0.10 3.38 -0.49 2.71 2.19 0.00 -1.43 117.98 124.23 1vmf s PHE 114 Ca -0.05 1.43 -0.11 0.00 0.33 0.00 0.00 56.93 58.53 1vmf s PHE 114 Cb -0.14 -3.20 0.12 0.00 -1.31 0.00 0.00 43.02 38.49 1vmf s PHE 114 CO 0.04 -0.40 0.39 0.00 1.83 0.00 0.00 175.22 177.09 1vmf s GLU 116 N 1.44 4.46 0.00 0.00 2.56 0.87 -0.81 118.70 127.22 1vmf s GLU 116 Ca 0.05 1.34 0.00 0.00 0.00 0.00 0.00 54.97 56.35 1vmf s GLU 116 Cb -0.27 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.35 1vmf s GLU 116 CO 0.01 -0.21 0.45 1.19 -0.56 0.00 0.00 175.26 176.14 1vmf n PHE 117 N 4.59 0.00 -2.73 5.30 3.72 -0.97 -1.45 117.46 125.92 1vmf n PHE 117 Ca 0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 1vmf n PHE 117 Cb 0.50 0.00 0.05 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 -0.03 0.94 -3.43 4.37 2.03 -0.89 -4.52 116.55 115.02 1vmf n ASP 118 Ca 0.00 -2.41 -0.14 0.00 0.52 0.00 0.00 54.79 52.77 1vmf n ASP 118 Cb 0.02 -0.27 0.07 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.41 0.54 3.76 0.27 0.00 -0.37 -4.68 105.19 104.29 1vmf n GLY 119 Ca 0.05 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.00 4.68 0.01 1.61 0.04 -1.23 -3.37 135.00 132.74 1vmf s PRO 120 Ca 0.38 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1vmf s PRO 120 Cb -0.02 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1vmf s PRO 120 CO 0.26 0.32 -0.03 1.03 0.04 0.00 0.00 177.00 178.61 1vmf s ARG 121 N -1.52 0.25 0.01 4.56 0.52 -1.14 -4.97 118.95 116.66 1vmf s ARG 121 Ca 0.45 -0.38 0.23 0.00 -0.52 0.00 0.00 55.73 55.51 1vmf s ARG 121 Cb -0.27 -0.04 0.04 0.00 0.52 0.00 0.00 34.95 35.21 1vmf s ARG 121 CO 0.34 -0.00 1.07 0.25 0.02 0.00 0.00 175.30 176.98 1vmf n THR 122 N 2.23 0.02 -1.50 0.02 -2.24 -1.26 -0.72 114.28 110.83 1vmf n THR 122 Ca -0.19 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 1vmf n THR 122 Cb 0.57 0.63 0.18 0.00 -2.10 0.00 0.00 70.33 69.61 1vmf n THR 122 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1vmf n ASN 123 N -1.58 2.78 -4.81 3.42 6.94 -1.26 -4.47 115.26 116.28 1vmf n ASN 123 Ca 0.04 -3.80 -0.35 0.00 -0.02 0.00 0.00 54.58 50.45 1vmf n ASN 123 Cb 0.35 -0.63 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 1vmf n ASN 123 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1vmf s ARG 124 N -3.30 4.32 -0.01 -3.83 1.81 -0.52 -4.90 118.95 112.52 1vmf s ARG 124 Ca 0.46 1.07 -0.03 0.00 -1.72 0.00 0.00 55.73 55.51 1vmf s ARG 124 Cb 0.41 -2.58 -0.00 0.00 -0.45 0.00 0.00 34.95 32.33 1vmf s ARG 124 CO -0.00 0.20 0.06 0.15 -0.68 0.00 0.00 175.30 175.02 1vmf s LYS 125 N -2.51 0.22 0.08 3.54 1.02 -1.26 -0.75 119.74 120.08 1vmf s LYS 125 Ca 0.53 -0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.36 1vmf s LYS 125 Cb -0.14 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 1vmf s LYS 125 CO 0.19 -0.04 -0.08 -0.59 -0.92 0.00 0.00 175.35 173.91 1vmf s PHE 126 N -0.62 0.87 -0.01 3.18 -0.71 -0.66 -2.36 117.98 117.68 1vmf s PHE 126 Ca -0.07 -0.66 0.04 0.00 -1.04 0.00 0.00 56.93 55.20 1vmf s PHE 126 Cb -0.04 -0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1vmf s PHE 126 CO 0.00 -0.07 -0.10 0.14 -1.34 0.00 0.00 175.22 173.85 1vmf s VAL 127 N -2.33 3.37 -0.14 -2.49 -7.23 0.21 -0.54 120.40 111.26 1vmf s VAL 127 Ca 0.01 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1vmf s VAL 127 Cb -0.04 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1vmf s VAL 127 CO -0.01 0.45 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.32 1vmf s VAL 128 N -0.91 2.09 -0.11 1.32 1.01 0.05 -0.72 120.40 123.13 1vmf s VAL 128 Ca 0.15 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1vmf s VAL 128 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1vmf s VAL 128 CO 0.05 0.55 -0.23 -0.75 0.00 0.00 0.00 175.10 174.72 1vmf s LYS 129 N 0.80 2.97 -0.06 2.72 2.47 -0.25 -1.16 119.74 127.23 1vmf s LYS 129 Ca -0.07 -0.85 -0.02 0.00 -1.56 0.00 0.00 55.97 53.46 1vmf s LYS 129 Cb -0.16 -2.29 -0.04 0.00 -1.46 0.00 0.00 37.83 33.88 1vmf s LYS 129 CO -0.01 0.12 0.06 -0.51 0.16 0.00 0.00 175.35 175.16 1vmf s LEU 130 N 0.49 3.87 -0.06 5.43 1.43 -0.01 -0.39 118.68 129.44 1vmf s LEU 130 Ca -0.15 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1vmf s LEU 130 Cb -0.17 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1vmf s LEU 130 CO 0.06 0.35 -0.24 -0.76 0.23 0.00 0.00 176.35 175.98 1vmf s LEU 131 N -1.23 2.05 0.07 1.79 1.43 -0.06 -4.72 118.68 118.00 1vmf s LEU 131 Ca 0.17 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1vmf s LEU 131 Cb -0.12 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1vmf s LEU 131 CO 0.07 0.22 0.17 0.28 0.23 0.00 0.00 176.35 177.32 1vmf s THR 132 N -0.07 5.10 -1.14 5.49 -1.32 -1.26 -1.11 115.64 121.33 1vmf s THR 132 Ca -0.06 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1vmf s THR 132 Cb -0.14 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 1vmf s THR 132 CO 0.04 0.12 0.28 0.47 -2.21 0.00 0.00 174.62 173.32