#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vmf n HIS 0 N 0.00 -1.67 -4.87 4.41 -0.00 -1.26 -4.56 115.22 107.27 1vmf n HIS 0 Ca 0.00 0.73 -0.27 0.00 -0.00 0.00 0.00 57.72 58.18 1vmf n HIS 0 Cb 0.00 -3.76 -0.16 0.00 -0.00 0.00 0.00 29.99 26.07 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 -6.50 1.87 -0.00 -0.41 0.00 -1.26 -0.67 119.30 112.33 1vmf s MET 1 Ca 0.03 -0.63 0.02 0.00 0.00 0.00 0.00 55.69 55.10 1vmf s MET 1 Cb -0.01 -1.61 -0.00 0.00 0.00 0.00 0.00 34.83 33.20 1vmf s MET 1 CO 0.88 0.25 -0.05 0.21 0.00 0.00 0.00 175.02 176.31 1vmf s LYS 2 N 0.05 0.40 -0.06 4.11 2.20 -0.56 -4.99 119.74 120.89 1vmf s LYS 2 Ca -0.05 -0.18 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 1vmf s LYS 2 Cb -0.12 -0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 35.77 1vmf s LYS 2 CO 0.03 0.10 0.32 0.99 -0.36 0.00 0.00 175.35 176.43 1vmf s THR 3 N -0.13 5.20 -0.00 3.43 2.01 -1.26 -1.00 115.64 123.88 1vmf s THR 3 Ca 0.02 0.63 0.07 0.00 0.31 0.00 0.00 61.69 62.72 1vmf s THR 3 Cb -0.02 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1vmf s THR 3 CO -0.00 0.56 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.91 1vmf s PHE 4 N -0.81 1.94 0.02 4.92 0.40 0.26 -5.01 117.98 119.70 1vmf s PHE 4 Ca 0.20 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1vmf s PHE 4 Cb -0.15 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1vmf s PHE 4 CO 0.09 -0.01 0.05 -1.01 0.70 0.00 0.00 175.22 175.04 1vmf s HIS 5 N -0.57 3.17 0.03 0.36 3.76 -1.26 -1.79 115.29 118.99 1vmf s HIS 5 Ca 0.08 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 1vmf s HIS 5 Cb -0.08 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1vmf s HIS 5 CO -0.00 0.51 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.82 1vmf s LEU 6 N -1.82 2.18 -0.19 0.89 1.43 0.54 -4.98 118.68 116.73 1vmf s LEU 6 Ca 0.23 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1vmf s LEU 6 Cb -0.12 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 1vmf s LEU 6 CO 0.14 -0.13 -0.01 -0.89 0.23 0.00 0.00 176.35 175.68 1vmf s THR 7 N -1.01 3.88 0.16 5.49 2.01 -1.26 -0.98 115.64 123.92 1vmf s THR 7 Ca -0.07 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1vmf s THR 7 Cb -0.08 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1vmf s THR 7 CO 0.00 0.44 0.25 0.42 -0.69 0.00 0.00 174.62 175.04 1vmf s THR 8 N 0.88 5.11 -0.26 -0.82 -4.23 0.02 -4.98 115.64 111.37 1vmf s THR 8 Ca 0.00 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1vmf s THR 8 Cb -0.14 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 1vmf s THR 8 CO 0.02 -0.11 0.32 0.00 -0.54 0.00 0.00 174.62 174.31 1vmf n GLN 9 N -0.54 3.34 -3.94 3.99 1.13 -1.26 -3.10 117.38 117.00 1vmf n GLN 9 Ca -0.07 -0.29 -0.10 0.00 -1.94 0.00 0.00 57.00 54.60 1vmf n GLN 9 Cb 0.54 -0.82 -0.02 0.00 0.11 0.00 0.00 30.24 30.06 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 -0.88 0.19 0.16 1.08 1.04 -1.26 -4.71 113.70 109.33 1vmf s SER 10 Ca 0.02 -1.11 -0.15 0.00 0.48 0.00 0.00 55.95 55.19 1vmf s SER 10 Cb 0.03 0.72 0.09 0.00 0.10 0.00 0.00 66.02 66.96 1vmf s SER 10 CO 0.09 -1.41 1.76 -0.09 0.98 0.00 0.00 173.24 174.57 1vmf h ARG 11 N 2.09 0.33 -5.22 4.02 2.43 -1.92 -3.16 114.38 112.94 1vmf h ARG 11 Ca -0.28 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.21 1vmf h ARG 11 Cb 1.25 -0.07 -0.31 0.00 -0.42 0.00 0.00 29.97 30.42 1vmf h ARG 11 CO 0.36 0.22 -0.81 -0.51 -1.51 0.00 0.00 179.97 177.72 1vmf s ASP 12 N -5.40 3.60 -0.19 -3.80 1.01 -1.26 -1.19 116.67 109.43 1vmf s ASP 12 Ca -0.13 -0.47 -0.12 0.00 0.71 0.00 0.00 52.55 52.54 1vmf s ASP 12 Cb 0.13 -1.54 0.06 0.00 1.01 0.00 0.00 42.92 42.57 1vmf s ASP 12 CO 0.72 0.10 0.47 -0.70 0.21 0.00 0.00 175.17 175.97 1vmf s GLU 13 N 0.71 0.47 -0.33 8.23 2.12 -0.51 -5.00 118.70 124.39 1vmf s GLU 13 Ca -0.07 0.84 -0.08 0.00 0.36 0.00 0.00 54.97 56.02 1vmf s GLU 13 Cb -0.16 0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.31 1vmf s GLU 13 CO 0.01 -0.14 0.12 -1.64 -0.54 0.00 0.00 175.26 173.07 1vmf s MET 14 N 1.23 2.84 -0.26 4.30 -1.94 -1.26 -0.48 119.30 123.73 1vmf s MET 14 Ca -0.08 -1.04 -0.09 0.00 -1.71 0.00 0.00 55.69 52.77 1vmf s MET 14 Cb -0.07 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 1vmf s MET 14 CO -0.12 -0.59 0.12 0.08 -0.01 0.00 0.00 175.02 174.50 1vmf s VAL 15 N 1.47 4.73 -0.32 -6.03 1.01 -0.13 -4.94 120.40 116.19 1vmf s VAL 15 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 1vmf s VAL 15 Cb -0.19 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1vmf s VAL 15 CO 0.04 0.30 1.53 -0.62 0.00 0.00 0.00 175.10 176.35 1vmf s ASP 16 N 1.67 6.31 0.00 3.32 -1.08 -1.26 -1.01 116.67 124.62 1vmf s ASP 16 Ca 0.07 1.21 0.16 0.00 -0.52 0.00 0.00 52.55 53.46 1vmf s ASP 16 Cb -0.15 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.15 1vmf s ASP 16 CO 0.07 -1.38 1.30 2.30 0.52 0.00 0.00 175.17 177.97 1vmf n ILE 17 N 6.82 0.77 -0.07 4.11 -5.35 0.21 -4.69 119.36 121.16 1vmf n ILE 17 Ca 0.18 -0.89 -0.07 0.00 -0.27 0.00 0.00 62.75 61.71 1vmf n ILE 17 Cb 0.47 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 3.05 0.52 -0.48 7.28 2.02 -1.87 -2.18 112.91 121.24 1vmf h THR 18 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1vmf h THR 18 Cb 0.81 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1vmf h THR 18 CO 0.00 0.00 0.08 0.77 0.37 0.00 0.00 175.52 176.74 1vmf h SER 19 N -0.13 0.70 -0.53 4.18 4.64 -1.93 -0.99 113.55 119.49 1vmf h SER 19 Ca 0.16 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1vmf h SER 19 Cb 0.36 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1vmf h SER 19 CO -0.38 0.73 0.14 1.56 -0.87 0.00 0.00 176.83 178.01 1vmf h GLN 20 N 0.72 0.85 -0.20 4.77 4.20 -1.81 -0.06 115.11 123.59 1vmf h GLN 20 Ca 0.15 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1vmf h GLN 20 Cb 0.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1vmf h GLN 20 CO 0.00 0.80 0.09 0.82 -0.67 0.00 0.00 178.83 179.87 1vmf h ILE 21 N 0.75 1.14 -0.29 2.54 2.04 -0.96 -2.55 117.51 120.17 1vmf h ILE 21 Ca 0.17 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1vmf h ILE 21 Cb 0.32 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1vmf h ILE 21 CO -0.00 0.13 -0.18 -0.33 0.00 0.00 0.00 178.15 177.78 1vmf h GLU 22 N 0.19 0.52 -0.59 2.37 5.08 -0.90 -1.69 114.58 119.57 1vmf h GLU 22 Ca 0.07 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1vmf h GLU 22 Cb 0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1vmf h GLU 22 CO -0.01 0.68 0.21 1.15 -1.00 0.00 0.00 179.01 180.04 1vmf h THR 23 N 0.47 1.23 -0.04 1.13 2.02 -0.93 -0.50 112.91 116.31 1vmf h THR 23 Ca 0.08 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1vmf h THR 23 Cb 0.58 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1vmf h THR 23 CO 0.04 0.29 -0.14 -0.25 0.37 0.00 0.00 175.52 175.83 1vmf h TRP 24 N 0.82 -0.35 -0.27 3.16 -0.00 -1.10 -0.33 115.95 117.89 1vmf h TRP 24 Ca 0.19 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.15 1vmf h TRP 24 Cb 0.24 0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 29.52 1vmf h TRP 24 CO 0.01 -0.20 -0.03 0.82 -0.00 0.00 0.00 178.44 179.04 1vmf h ILE 25 N -0.21 0.78 -0.51 2.65 2.04 -1.08 -0.64 117.51 120.52 1vmf h ILE 25 Ca 0.06 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1vmf h ILE 25 Cb 0.29 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1vmf h ILE 25 CO -0.16 0.01 0.29 -0.09 0.00 0.00 0.00 178.15 178.19 1vmf h ARG 26 N 0.05 0.55 -0.78 2.37 9.65 -0.84 -1.96 114.38 123.42 1vmf h ARG 26 Ca 0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1vmf h ARG 26 Cb 0.18 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1vmf h ARG 26 CO -0.24 0.36 0.48 1.49 2.80 0.00 0.00 179.97 184.86 1vmf h GLU 27 N 0.56 1.04 0.00 0.20 4.81 -0.29 -2.67 114.58 118.24 1vmf h GLU 27 Ca 0.22 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1vmf h GLU 27 Cb 0.07 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1vmf h GLU 27 CO -0.12 0.72 0.00 1.79 -0.73 0.00 0.00 179.01 180.66 1vmf h THR 28 N 1.06 0.00 -0.00 0.32 1.35 -0.64 -3.47 112.91 111.54 1vmf h THR 28 Ca 0.28 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1vmf h THR 28 Cb -0.07 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1vmf h THR 28 CO -0.06 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1vmf n GLY 29 N 1.00 0.37 3.74 5.82 0.00 -0.78 -5.00 105.19 110.34 1vmf n GLY 29 Ca 0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.74 2.97 -0.18 1.61 1.01 -1.21 -4.92 120.40 117.93 1vmf s VAL 30 Ca 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1vmf s VAL 30 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 1vmf s VAL 30 CO 0.00 0.12 -0.19 0.35 0.00 0.00 0.00 175.10 175.37 1vmf n THR 31 N 2.62 0.99 -4.05 3.92 -2.24 -1.26 -4.30 114.28 109.95 1vmf n THR 31 Ca 0.07 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 1vmf n THR 31 Cb 0.42 -1.43 -0.15 0.00 -2.10 0.00 0.00 70.33 67.06 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 -6.16 0.49 0.00 3.42 0.01 -1.26 -0.55 114.94 110.89 1vmf s ASN 32 Ca -0.24 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1vmf s ASN 32 Cb 0.08 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.60 1vmf s ASN 32 CO 0.36 -0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.55 1vmf n GLY 33 N 3.40 -0.42 3.05 0.66 0.00 -0.72 -0.86 105.19 110.30 1vmf n GLY 33 Ca -0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.55 0.16 -0.11 1.61 -7.23 -0.00 -0.74 120.40 110.54 1vmf s VAL 34 Ca 0.00 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1vmf s VAL 34 Cb 0.00 -0.89 0.01 0.00 0.56 0.00 0.00 36.38 36.05 1vmf s VAL 34 CO 0.00 -0.73 -0.21 0.00 -0.31 0.00 0.00 175.10 173.85 1vmf s ALA 35 N -2.68 2.03 -0.25 1.32 0.00 0.84 -0.75 121.76 122.27 1vmf s ALA 35 Ca -0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1vmf s ALA 35 Cb -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1vmf s ALA 35 CO -0.05 0.11 0.09 0.42 0.00 0.00 0.00 175.76 176.33 1vmf s ILE 36 N 0.62 4.56 -0.23 0.00 1.09 0.60 -0.05 121.20 127.78 1vmf s ILE 36 Ca -0.13 -0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.31 1vmf s ILE 36 Cb -0.17 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.12 1vmf s ILE 36 CO 0.03 0.34 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.46 1vmf s VAL 37 N 1.49 2.99 -0.07 2.92 1.01 -0.06 -0.85 120.40 127.84 1vmf s VAL 37 Ca 0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1vmf s VAL 37 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1vmf s VAL 37 CO 0.05 0.30 -0.01 -0.55 0.00 0.00 0.00 175.10 174.88 1vmf s SER 38 N 1.38 1.49 0.32 3.32 0.15 0.04 -0.87 113.70 119.52 1vmf s SER 38 Ca 0.03 -0.11 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 1vmf s SER 38 Cb -0.15 -0.47 -0.10 0.00 -1.71 0.00 0.00 66.02 63.58 1vmf s SER 38 CO -0.05 -0.16 1.19 -0.55 1.20 0.00 0.00 173.24 174.87 1vmf s SER 39 N 1.71 6.95 0.00 5.45 0.15 0.64 -0.66 113.70 127.94 1vmf s SER 39 Ca 0.01 2.44 0.12 0.00 0.70 0.00 0.00 55.95 59.22 1vmf s SER 39 Cb -0.13 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 61.92 1vmf s SER 39 CO -0.04 -0.38 1.30 0.18 1.20 0.00 0.00 173.24 175.50 1vmf n LEU 40 N 0.84 1.91 -4.39 3.45 4.77 -0.94 -4.89 117.00 117.75 1vmf n LEU 40 Ca 0.00 -0.94 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 1vmf n LEU 40 Cb 0.44 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 1vmf n LEU 40 CO 0.55 0.47 -0.55 -1.00 -1.33 0.00 0.00 177.39 175.53 1vmf s HIS 41 N -1.55 2.24 -2.05 -1.77 3.76 -1.26 -5.02 115.29 109.64 1vmf s HIS 41 Ca 0.25 -0.38 0.26 0.00 -0.15 0.00 0.00 55.06 55.04 1vmf s HIS 41 Cb 0.13 -1.17 0.61 0.00 1.11 0.00 0.00 32.58 33.27 1vmf s HIS 41 CO 0.18 0.39 1.48 0.25 -0.85 0.00 0.00 174.74 176.19 1vmf n THR 42 N 0.64 0.00 -0.29 1.30 -2.24 -1.26 -4.08 114.28 108.35 1vmf n THR 42 Ca -0.16 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1vmf n THR 42 Cb 0.54 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.22 0.68 -3.82 4.28 -2.24 -1.26 -4.15 114.28 107.55 1vmf n THR 43 Ca 0.13 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 1vmf n THR 43 Cb 0.39 0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.68 -0.22 0.07 6.98 0.00 -1.26 -2.53 121.76 124.12 1vmf s ALA 44 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1vmf s ALA 44 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1vmf s ALA 44 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1vmf n GLY 45 N 3.24 4.09 3.01 0.00 0.00 -0.26 -4.44 105.19 110.83 1vmf n GLY 45 Ca -0.15 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.35 0.90 0.13 -0.61 -1.09 -0.04 -0.34 121.20 118.79 1vmf s ILE 46 Ca 0.01 -0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.01 1vmf s ILE 46 Cb 0.00 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 40.04 1vmf s ILE 46 CO 0.00 0.28 0.06 0.28 -1.23 0.00 0.00 174.94 174.34 1vmf s THR 47 N 0.32 0.11 -0.15 2.92 -1.32 -0.65 -4.32 115.64 112.55 1vmf s THR 47 Ca -0.06 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1vmf s THR 47 Cb -0.11 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1vmf s THR 47 CO 0.01 -0.50 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.08 1vmf s VAL 48 N -4.03 2.63 0.00 5.08 1.01 -1.26 -0.42 120.40 123.40 1vmf s VAL 48 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1vmf s VAL 48 Cb 0.07 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.35 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 4.02 0.00 -4.71 3.32 2.85 -0.49 -4.92 115.26 115.31 1vmf n ASN 49 Ca -0.19 -0.73 -0.43 0.00 -0.11 0.00 0.00 54.58 53.13 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 1.21 -2.11 0.00 0.00 177.26 176.36 1vmf n GLU 50 N 0.00 2.71 -0.08 1.20 4.07 -1.24 -0.75 120.64 126.55 1vmf n GLU 50 Ca 0.00 0.98 0.06 0.00 -0.06 0.00 0.00 57.16 58.14 1vmf n GLU 50 Cb 0.00 -2.81 0.10 0.00 -0.06 0.00 0.00 31.44 28.66 1vmf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1vmf n ASN 51 N 3.83 2.41 -0.05 4.31 0.23 0.12 -4.75 115.26 121.36 1vmf n ASN 51 Ca 0.16 -1.70 -0.11 0.00 -0.53 0.00 0.00 54.58 52.39 1vmf n ASN 51 Cb 0.34 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 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 0.65 2.11 -2.54 -2.53 0.00 -1.26 -4.96 120.51 111.99 1vmf n ALA 52 Ca 0.09 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1vmf n ALA 52 Cb 0.36 0.28 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -6.11 6.35 0.67 0.00 -1.08 -1.26 -4.94 116.67 110.29 1vmf s ASP 53 Ca -0.17 -0.16 0.44 0.00 -0.52 0.00 0.00 52.55 52.15 1vmf s ASP 53 Cb 0.06 -2.32 2.41 0.00 -1.46 0.00 0.00 42.92 41.61 1vmf s ASP 53 CO 0.22 -0.69 2.37 1.55 0.52 0.00 0.00 175.17 179.14 1vmf h PRO 54 N 8.70 0.00 0.00 4.34 0.13 -1.93 -1.81 132.00 141.43 1vmf h PRO 54 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1vmf h PRO 54 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1vmf h PRO 54 CO 0.86 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.10 1vmf h ASP 55 N 0.00 0.00 0.14 1.44 3.32 -1.99 -1.80 116.42 117.54 1vmf h ASP 55 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1vmf h ASP 55 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1vmf h ASP 55 CO 0.00 0.09 -0.07 0.58 -1.72 0.00 0.00 179.24 178.13 1vmf h VAL 56 N 0.00 1.01 -0.17 -1.35 2.07 -1.70 -0.90 116.25 115.20 1vmf h VAL 56 Ca -0.00 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1vmf h VAL 56 Cb 0.44 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1vmf h VAL 56 CO 0.01 0.16 -0.32 0.07 0.02 0.00 0.00 177.57 177.52 1vmf h LYS 57 N -0.52 0.34 -0.50 1.57 2.10 -1.67 0.81 116.57 118.71 1vmf h LYS 57 Ca -0.02 -0.14 0.04 0.00 -2.00 0.00 0.00 60.65 58.54 1vmf h LYS 57 Cb 0.41 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.68 1vmf h LYS 57 CO 0.03 0.63 0.25 0.00 -2.00 0.00 0.00 179.45 178.36 1vmf h ARG 58 N 0.30 0.47 -0.20 0.07 3.08 -1.30 -1.16 114.38 115.65 1vmf h ARG 58 Ca 0.04 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1vmf h ARG 58 Cb 0.71 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1vmf h ARG 58 CO 0.05 0.31 -0.37 -0.44 -1.07 0.00 0.00 179.97 178.46 1vmf h ASP 59 N 0.49 0.45 -0.34 7.04 5.19 -0.60 -0.90 116.42 127.75 1vmf h ASP 59 Ca 0.22 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1vmf h ASP 59 Cb 0.13 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1vmf h ASP 59 CO -0.16 0.78 0.12 0.24 -3.12 0.00 0.00 179.24 177.10 1vmf h MET 60 N 0.36 0.52 -0.49 3.56 2.86 -0.33 0.30 114.93 121.72 1vmf h MET 60 Ca 0.04 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1vmf h MET 60 Cb 0.81 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1vmf h MET 60 CO 0.07 0.54 0.28 0.82 1.06 0.00 0.00 176.91 179.68 1vmf h ILE 61 N 0.40 1.16 -0.18 -1.22 2.04 -1.05 -0.92 117.51 117.73 1vmf h ILE 61 Ca 0.11 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1vmf h ILE 61 Cb 0.23 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1vmf h ILE 61 CO -0.01 0.16 0.11 -0.03 0.00 0.00 0.00 178.15 178.38 1vmf h MET 62 N 0.65 0.25 -0.62 2.37 4.05 -0.84 -1.78 114.93 119.01 1vmf h MET 62 Ca 0.17 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1vmf h MET 62 Cb 0.02 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1vmf h MET 62 CO -0.03 0.23 0.22 0.00 0.23 0.00 0.00 176.91 177.57 1vmf h ARG 63 N 0.21 0.94 -0.52 0.39 2.47 -0.78 -2.41 114.38 114.68 1vmf h ARG 63 Ca 0.07 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 1vmf h ARG 63 Cb 0.05 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 1vmf h ARG 63 CO -0.01 0.81 0.23 -0.07 0.56 0.00 0.00 179.97 181.50 1vmf h LEU 64 N 0.87 0.66 -1.50 3.04 3.38 -1.05 -0.42 115.31 120.28 1vmf h LEU 64 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1vmf h LEU 64 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1vmf h LEU 64 CO -0.01 0.57 -0.24 -0.78 0.09 0.00 0.00 178.44 178.07 1vmf h ASP 65 N 0.73 0.00 0.28 -0.43 3.58 -0.93 -0.29 116.42 119.36 1vmf h ASP 65 Ca 0.18 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.29 1vmf h ASP 65 Cb 0.10 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.18 1vmf h ASP 65 CO -0.02 0.24 -1.52 -0.33 -2.88 0.00 0.00 179.24 174.73 1vmf h GLU 66 N 0.00 0.49 -0.61 0.28 5.08 -0.84 -2.93 114.58 116.06 1vmf h GLU 66 Ca -0.00 -0.83 -0.08 0.00 -1.00 0.00 0.00 59.36 57.44 1vmf h GLU 66 Cb 0.53 0.31 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1vmf h GLU 66 CO 0.03 1.40 0.05 0.28 -1.00 0.00 0.00 179.01 179.77 1vmf h VAL 67 N 0.13 1.26 -2.82 3.13 2.07 -0.93 -3.35 116.25 115.74 1vmf h VAL 67 Ca -0.27 -1.08 -0.61 0.00 0.82 0.00 0.00 66.70 65.57 1vmf h VAL 67 Cb 2.14 0.77 -0.41 0.00 -1.52 0.00 0.00 31.29 32.27 1vmf h VAL 67 CO 0.25 0.39 -0.68 -1.22 0.02 0.00 0.00 177.57 176.33 1vmf n TYR 68 N -4.24 2.22 -1.72 1.57 4.01 -0.13 -5.10 117.16 113.77 1vmf n TYR 68 Ca 0.03 -4.05 -0.38 0.00 -0.16 0.00 0.00 57.90 53.34 1vmf n TYR 68 Cb 0.31 -0.41 0.06 0.00 -0.31 0.00 0.00 39.34 39.00 1vmf n TYR 68 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1vmf n PRO 69 N 2.07 1.25 -0.02 -0.72 -0.02 -1.10 -4.58 135.00 131.88 1vmf n PRO 69 Ca 0.23 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1vmf n PRO 69 Cb 0.39 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.79 0.14 -3.51 6.00 2.91 -1.96 -3.43 115.95 116.90 1vmf h TRP 70 Ca -0.50 -0.03 -0.61 0.00 1.13 0.00 0.00 58.89 58.87 1vmf h TRP 70 Cb 1.33 -0.03 -0.13 0.00 -0.51 0.00 0.00 29.16 29.82 1vmf h TRP 70 CO 0.42 0.49 -0.41 -1.01 -1.03 0.00 0.00 178.44 176.90 1vmf s HIS 71 N -4.59 3.35 -0.10 2.65 3.76 -1.26 -4.67 115.29 114.43 1vmf s HIS 71 Ca -0.15 0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1vmf s HIS 71 Cb 0.04 -2.33 0.05 0.00 1.11 0.00 0.00 32.58 31.44 1vmf s HIS 71 CO 0.70 0.08 0.21 -1.58 -0.85 0.00 0.00 174.74 173.29 1vmf s HIS 72 N 1.03 -0.28 0.54 1.40 2.46 -1.26 -5.05 115.29 114.13 1vmf s HIS 72 Ca 0.11 0.71 0.36 0.00 0.47 0.00 0.00 55.06 56.72 1vmf s HIS 72 Cb -0.14 -0.06 1.96 0.00 -0.13 0.00 0.00 32.58 34.22 1vmf s HIS 72 CO 0.05 -0.25 2.24 1.05 -2.47 0.00 0.00 174.74 175.36 1vmf h GLU 73 N 7.65 0.00 -0.01 2.88 4.11 -2.00 -2.46 114.58 124.75 1vmf h GLU 73 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 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 0.30 0.02 -0.36 0.09 0.07 0.00 0.00 179.01 179.13 1vmf n ASN 74 N -3.41 1.56 -4.73 3.06 3.02 -1.26 -4.94 115.26 108.55 1vmf n ASN 74 Ca -0.02 -1.23 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 1vmf n ASN 74 Cb 0.13 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.47 6.57 -0.02 6.41 1.01 -0.93 -4.92 116.67 122.32 1vmf s ASP 75 Ca 0.22 2.70 0.20 0.00 0.71 0.00 0.00 52.55 56.37 1vmf s ASP 75 Cb 0.19 -2.61 -0.29 0.00 1.01 0.00 0.00 42.92 41.22 1vmf s ASP 75 CO 0.54 -0.79 0.49 0.54 0.21 0.00 0.00 175.17 176.16 1vmf n ARG 76 N 3.00 0.61 -2.31 8.23 1.74 -1.26 -4.90 116.66 121.77 1vmf n ARG 76 Ca 0.10 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 1vmf n ARG 76 Cb 0.39 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.27 2.21 0.09 -1.55 2.46 -1.26 -4.86 115.29 109.10 1vmf s HIS 77 Ca -0.05 0.56 0.25 0.00 0.47 0.00 0.00 55.06 56.29 1vmf s HIS 77 Cb 0.13 -4.32 0.93 0.00 -0.13 0.00 0.00 32.58 29.19 1vmf s HIS 77 CO 0.81 -2.10 1.83 0.52 -2.47 0.00 0.00 174.74 173.33 1vmf h MET 78 N 11.52 0.00 -0.06 2.88 2.86 -2.04 -2.42 114.93 127.67 1vmf h MET 78 Ca -0.27 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1vmf h MET 78 Cb 1.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1vmf h MET 78 CO 1.15 0.18 0.05 1.49 1.06 0.00 0.00 176.91 180.85 1vmf h GLU 79 N 0.00 0.00 0.00 1.72 4.81 -2.01 -3.46 114.58 115.64 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 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1vmf h GLU 79 CO 0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 1vmf n GLY 80 N -1.40 0.42 1.32 1.92 0.00 -0.91 -4.95 105.19 101.58 1vmf n GLY 80 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 3.28 -0.29 1.61 6.94 -1.26 -4.66 115.26 120.87 1vmf n ASN 81 Ca 0.00 -3.49 0.08 0.00 -0.02 0.00 0.00 54.58 51.15 1vmf n ASN 81 Cb 0.00 -0.65 0.19 0.00 -2.36 0.00 0.00 39.78 36.96 1vmf n ASN 81 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1vmf h THR 82 N 1.40 0.23 -0.78 5.53 2.02 -1.88 -0.61 112.91 118.81 1vmf h THR 82 Ca 0.22 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.47 1vmf h THR 82 Cb 1.83 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 1vmf h THR 82 CO 0.48 0.01 0.51 0.00 0.37 0.00 0.00 175.52 176.89 1vmf h ALA 83 N 1.80 1.78 -0.69 6.16 0.00 -1.83 -1.08 119.26 125.40 1vmf h ALA 83 Ca 0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 1vmf h ALA 83 Cb 0.85 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1vmf h ALA 83 CO -0.76 0.06 0.13 0.00 0.00 0.00 0.00 179.25 178.68 1vmf h ALA 84 N 1.60 0.92 -0.56 0.00 0.00 -1.34 -1.00 119.26 118.89 1vmf h ALA 84 Ca 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1vmf h ALA 84 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1vmf h ALA 84 CO -0.14 0.67 0.32 0.45 0.00 0.00 0.00 179.25 180.56 1vmf h HIS 85 N 1.06 0.76 -0.36 0.00 3.86 -1.04 -1.29 115.15 118.13 1vmf h HIS 85 Ca 0.21 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1vmf h HIS 85 Cb 0.42 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1vmf h HIS 85 CO 0.03 0.54 0.03 -0.07 0.86 0.00 0.00 177.93 179.32 1vmf h LEU 86 N 0.76 0.59 -1.01 2.43 -0.00 -1.10 -2.22 115.31 114.76 1vmf h LEU 86 Ca 0.20 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1vmf h LEU 86 Cb 0.02 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.48 1vmf h LEU 86 CO -0.03 0.73 0.42 0.11 -0.00 0.00 0.00 178.44 179.67 1vmf h LYS 87 N 0.43 1.11 -0.27 1.13 1.57 -1.09 -0.36 116.57 119.10 1vmf h LYS 87 Ca 0.10 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1vmf h LYS 87 Cb 0.41 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1vmf h LYS 87 CO 0.01 0.83 0.11 1.15 -0.57 0.00 0.00 179.45 180.98 1vmf h THR 88 N 1.12 1.18 0.00 -0.16 2.02 -1.10 -1.16 112.91 114.81 1vmf h THR 88 Ca 0.28 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1vmf h THR 88 Cb 0.05 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1vmf h THR 88 CO -0.04 0.18 -0.34 0.28 0.37 0.00 0.00 175.52 175.97 1vmf h SER 89 N 0.28 0.00 -0.03 4.18 0.02 -1.14 0.11 113.55 116.97 1vmf h SER 89 Ca 0.09 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1vmf h SER 89 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1vmf h SER 89 CO -0.01 0.34 -0.48 0.74 -1.14 0.00 0.00 176.83 176.28 1vmf h THR 90 N 0.00 1.43 0.00 -2.27 2.02 -0.63 -3.27 112.91 110.19 1vmf h THR 90 Ca -0.00 -1.94 -0.15 0.00 0.77 0.00 0.00 66.41 65.08 1vmf h THR 90 Cb 0.68 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1vmf h THR 90 CO 0.04 0.56 -0.73 -0.37 0.37 0.00 0.00 175.52 175.39 1vmf h VAL 91 N -0.12 1.29 0.00 3.16 -1.51 -1.24 -3.50 116.25 114.33 1vmf h VAL 91 Ca -0.05 -2.74 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1vmf h VAL 91 Cb 1.17 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 1vmf h VAL 91 CO 0.10 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 1vmf n GLY 92 N 1.19 2.59 0.10 5.19 0.00 0.38 -4.70 105.19 109.93 1vmf n GLY 92 Ca 0.01 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.43 1.61 2.07 -1.83 -0.08 115.15 113.49 1vmf h HIS 93 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 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 -0.35 0.00 -3.07 0.00 0.00 177.93 174.51 1vmf s ALA 94 N -3.15 -0.49 0.03 6.11 0.00 -1.26 -0.26 121.76 122.74 1vmf s ALA 94 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1vmf s ALA 94 Cb 0.12 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1vmf s ALA 94 CO 0.66 -0.35 -0.10 -0.65 0.00 0.00 0.00 175.76 175.32 1vmf s GLN 95 N -2.33 0.68 -0.18 0.00 -1.52 -0.05 -4.89 119.66 111.37 1vmf s GLN 95 Ca -0.07 -0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 52.72 1vmf s GLN 95 Cb -0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 33.01 32.14 1vmf s GLN 95 CO -0.02 0.15 -0.02 0.99 -0.25 0.00 0.00 175.29 176.13 1vmf s THR 96 N -0.77 3.90 0.08 -0.19 2.01 -1.26 -0.88 115.64 118.53 1vmf s THR 96 Ca -0.02 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.74 1vmf s THR 96 Cb -0.07 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 1vmf s THR 96 CO 0.00 0.46 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.38 1vmf s LEU 97 N 0.70 2.22 0.06 4.42 1.43 0.93 -4.98 118.68 123.47 1vmf s LEU 97 Ca -0.01 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1vmf s LEU 97 Cb -0.14 -1.22 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 1vmf s LEU 97 CO 0.02 0.21 0.56 -0.63 0.23 0.00 0.00 176.35 176.75 1vmf s ILE 98 N -0.90 4.78 -0.18 -0.59 1.01 -1.26 -0.11 121.20 123.95 1vmf s ILE 98 Ca 0.12 1.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.93 1vmf s ILE 98 Cb -0.10 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1vmf s ILE 98 CO 0.03 0.54 -0.03 -0.63 0.00 0.00 0.00 174.94 174.86 1vmf s ILE 99 N -0.99 3.87 -0.03 2.92 1.01 0.08 -0.58 121.20 127.48 1vmf s ILE 99 Ca 0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 1vmf s ILE 99 Cb -0.19 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1vmf s ILE 99 CO 0.18 0.46 0.02 -0.55 0.00 0.00 0.00 174.94 175.05 1vmf s SER 100 N 0.67 0.54 -1.53 3.58 0.15 -0.15 -1.75 113.70 115.22 1vmf s SER 100 Ca -0.02 -0.00 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1vmf s SER 100 Cb -0.14 -0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 1vmf s SER 100 CO 0.02 -0.14 0.96 -0.62 1.20 0.00 0.00 173.24 174.67 1vmf n GLU 101 N 4.40 -5.43 -1.02 5.44 -0.58 -0.37 -1.22 120.64 121.86 1vmf n GLU 101 Ca -0.22 0.60 -0.01 0.00 -0.42 0.00 0.00 57.16 57.11 1vmf n GLU 101 Cb 0.50 -5.49 -0.00 0.00 -0.57 0.00 0.00 31.44 25.88 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 -1.67 0.39 3.33 0.62 0.00 0.28 -5.01 105.19 103.13 1vmf n GLY 102 Ca 0.04 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.95 1.25 0.29 1.61 1.81 -0.36 -4.72 118.95 117.88 1vmf s ARG 103 Ca 0.00 -1.36 -0.29 0.00 -1.72 0.00 0.00 55.73 52.36 1vmf s ARG 103 Cb 0.00 -1.37 -0.10 0.00 -0.45 0.00 0.00 34.95 33.03 1vmf s ARG 103 CO 0.00 0.29 1.17 -0.51 -0.68 0.00 0.00 175.30 175.57 1vmf s LEU 104 N -2.49 4.51 -0.80 2.53 1.43 -1.26 -0.98 118.68 121.62 1vmf s LEU 104 Ca 0.14 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.39 1vmf s LEU 104 Cb -0.07 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.57 1vmf s LEU 104 CO 0.06 -0.28 1.24 -0.69 0.23 0.00 0.00 176.35 176.91 1vmf s VAL 105 N -1.06 3.99 -0.02 -1.59 1.01 0.25 -4.88 120.40 118.11 1vmf s VAL 105 Ca 0.46 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1vmf s VAL 105 Cb -0.34 -4.89 0.01 0.00 0.00 0.00 0.00 36.38 31.15 1vmf s VAL 105 CO 0.44 -1.76 -0.05 -0.76 0.00 0.00 0.00 175.10 172.97 1vmf s LEU 106 N 4.93 1.76 1.14 3.92 1.43 -1.26 -4.65 118.68 125.95 1vmf s LEU 106 Ca 0.34 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1vmf s LEU 106 Cb -0.08 -0.33 0.26 0.00 0.03 0.00 0.00 46.19 46.08 1vmf s LEU 106 CO 0.06 0.02 1.05 -0.83 0.23 0.00 0.00 176.35 176.88 1vmf s GLY 107 N 0.23 1.54 0.29 -3.19 0.00 -1.26 -4.89 107.32 100.03 1vmf s GLY 107 Ca -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1vmf s GLY 107 CO -0.00 0.36 1.73 -0.84 0.00 0.00 0.00 173.10 174.36 1vmf h THR 108 N -2.46 0.60 -0.31 0.90 2.02 -2.03 -2.07 112.91 109.57 1vmf h THR 108 Ca -0.57 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1vmf h THR 108 Cb 1.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1vmf h THR 108 CO 0.51 0.10 0.00 0.79 0.37 0.00 0.00 175.52 177.29 1vmf n TRP 109 N -4.93 1.05 -3.34 3.16 7.02 -1.26 -4.94 117.44 114.20 1vmf n TRP 109 Ca 0.21 -0.83 -0.39 0.00 -1.02 0.00 0.00 57.50 55.47 1vmf n TRP 109 Cb 0.58 -0.32 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 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 -2.69 4.07 0.24 -0.99 -0.21 -0.78 -0.70 119.66 118.60 1vmf s GLN 110 Ca 0.43 0.16 0.07 0.00 0.02 0.00 0.00 55.36 56.04 1vmf s GLN 110 Cb 0.34 -3.63 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 1vmf s GLN 110 CO 0.10 -0.24 -0.10 0.20 -2.12 0.00 0.00 175.29 173.13 1vmf s GLY 111 N 1.47 1.60 -0.18 3.09 0.00 0.07 -4.72 107.32 108.65 1vmf s GLY 111 Ca 0.18 -1.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.03 1vmf s GLY 111 CO 0.09 -1.79 0.16 0.14 0.00 0.00 0.00 173.10 171.71 1vmf s VAL 112 N -3.02 5.40 -0.06 1.40 1.01 -1.26 -1.40 120.40 122.47 1vmf s VAL 112 Ca 0.26 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1vmf s VAL 112 Cb 0.02 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1vmf s VAL 112 CO 0.09 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 1vmf s TYR 113 N 0.14 2.30 -0.24 5.22 2.02 0.44 -0.62 117.35 126.60 1vmf s TYR 113 Ca 0.11 -0.70 -0.25 0.00 -0.37 0.00 0.00 57.07 55.86 1vmf s TYR 113 Cb -0.12 -1.52 -0.00 0.00 -0.40 0.00 0.00 41.96 39.93 1vmf s TYR 113 CO 0.00 -0.22 0.87 0.12 -1.57 0.00 0.00 175.55 174.75 1vmf s PHE 114 N -0.09 3.31 -0.52 2.71 2.19 -0.18 -1.64 117.98 123.76 1vmf s PHE 114 Ca -0.05 1.19 -0.12 0.00 0.33 0.00 0.00 56.93 58.28 1vmf s PHE 114 Cb -0.14 -3.10 0.13 0.00 -1.31 0.00 0.00 43.02 38.61 1vmf s PHE 114 CO 0.04 -0.42 0.43 0.00 1.83 0.00 0.00 175.22 177.10 1vmf s GLU 116 N 1.35 4.45 0.00 0.00 2.56 0.37 -1.10 118.70 126.33 1vmf s GLU 116 Ca 0.06 1.31 0.00 0.00 0.00 0.00 0.00 54.97 56.34 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 0.00 -0.21 0.59 1.19 -0.56 0.00 0.00 175.26 176.27 1vmf n PHE 117 N 4.60 0.00 -2.75 5.30 3.72 -1.05 -1.43 117.46 125.85 1vmf n PHE 117 Ca 0.07 -0.12 -0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1vmf n PHE 117 Cb 0.50 -0.01 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 -0.12 0.78 -2.76 4.37 2.03 -0.74 -4.53 116.55 115.59 1vmf n ASP 118 Ca 0.00 -2.06 -0.09 0.00 0.52 0.00 0.00 54.79 53.16 1vmf n ASP 118 Cb 0.09 -0.19 0.06 0.00 -0.72 0.00 0.00 41.12 40.36 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 -0.70 -0.26 3.75 0.27 0.00 -0.34 -4.68 105.19 103.23 1vmf n GLY 119 Ca 0.00 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.65 4.71 0.02 1.61 0.04 -1.20 -3.40 135.00 133.13 1vmf s PRO 120 Ca 0.24 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1vmf s PRO 120 Cb -0.01 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1vmf s PRO 120 CO 0.16 0.28 -0.03 1.03 0.04 0.00 0.00 177.00 178.49 1vmf s ARG 121 N -0.96 0.27 0.28 4.56 0.52 -1.18 -4.96 118.95 117.48 1vmf s ARG 121 Ca 0.45 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.09 1vmf s ARG 121 Cb -0.29 0.06 -0.06 0.00 0.52 0.00 0.00 34.95 35.18 1vmf s ARG 121 CO 0.36 -0.03 0.58 0.95 0.02 0.00 0.00 175.30 177.17 1vmf s THR 122 N -1.16 4.96 -1.49 0.02 -4.23 -1.26 -0.80 115.64 111.68 1vmf s THR 122 Ca -0.12 0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1vmf s THR 122 Cb -0.08 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1vmf s THR 122 CO -0.01 -0.25 0.64 0.59 -0.54 0.00 0.00 174.62 175.05 1vmf n ASN 123 N -0.66 -1.90 -4.76 3.99 5.03 -1.01 -4.93 115.26 111.01 1vmf n ASN 123 Ca -0.00 -0.95 -0.36 0.00 0.87 0.00 0.00 54.58 54.14 1vmf n ASN 123 Cb 0.53 -3.24 0.02 0.00 -1.02 0.00 0.00 39.78 36.08 1vmf n ASN 123 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1vmf s ARG 124 N -6.59 3.12 0.01 3.52 1.81 -0.15 -4.85 118.95 115.82 1vmf s ARG 124 Ca 0.30 1.80 0.00 0.00 -1.72 0.00 0.00 55.73 56.10 1vmf s ARG 124 Cb -0.16 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1vmf s ARG 124 CO 0.88 -1.08 -0.02 0.15 -0.68 0.00 0.00 175.30 174.55 1vmf s LYS 125 N -3.25 0.20 0.13 3.54 1.02 -1.26 -0.34 119.74 119.78 1vmf s LYS 125 Ca 0.75 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.37 1vmf s LYS 125 Cb -0.29 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 1vmf s LYS 125 CO 0.32 -0.03 -0.03 -0.59 -0.92 0.00 0.00 175.35 174.10 1vmf s PHE 126 N -0.92 1.02 0.11 3.18 -0.71 -0.74 -2.20 117.98 117.71 1vmf s PHE 126 Ca -0.10 -0.97 0.10 0.00 -1.04 0.00 0.00 56.93 54.91 1vmf s PHE 126 Cb -0.06 -0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1vmf s PHE 126 CO -0.01 -0.19 -0.23 0.14 -1.34 0.00 0.00 175.22 173.59 1vmf s VAL 127 N -3.66 2.51 -0.15 -2.49 -7.23 0.16 -0.58 120.40 108.96 1vmf s VAL 127 Ca 0.17 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1vmf s VAL 127 Cb 0.06 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.90 1vmf s VAL 127 CO -0.01 0.14 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.03 1vmf s VAL 128 N -1.05 1.96 -0.16 1.32 1.01 -0.17 -0.78 120.40 122.52 1vmf s VAL 128 Ca 0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1vmf s VAL 128 Cb -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1vmf s VAL 128 CO 0.07 0.53 -0.06 -0.75 0.00 0.00 0.00 175.10 174.89 1vmf s LYS 129 N 1.05 3.56 -0.12 2.72 2.47 -0.03 -1.49 119.74 127.90 1vmf s LYS 129 Ca -0.02 -0.57 -0.04 0.00 -1.56 0.00 0.00 55.97 53.78 1vmf s LYS 129 Cb -0.14 -2.87 -0.03 0.00 -1.46 0.00 0.00 37.83 33.33 1vmf s LYS 129 CO -0.06 0.17 0.02 -0.51 0.16 0.00 0.00 175.35 175.13 1vmf s LEU 130 N 0.53 3.66 -0.15 5.43 1.43 0.15 -0.29 118.68 129.44 1vmf s LEU 130 Ca -0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1vmf s LEU 130 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1vmf s LEU 130 CO 0.03 0.31 -0.15 -0.76 0.23 0.00 0.00 176.35 176.00 1vmf s LEU 131 N -0.45 2.48 0.15 1.79 1.43 0.07 -4.68 118.68 119.46 1vmf s LEU 131 Ca 0.09 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1vmf s LEU 131 Cb -0.12 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1vmf s LEU 131 CO 0.02 0.10 0.35 0.28 0.23 0.00 0.00 176.35 177.33 1vmf s THR 132 N 0.73 5.22 -2.00 5.49 -1.32 -1.26 -0.82 115.64 121.68 1vmf s THR 132 Ca -0.07 -0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 1vmf s THR 132 Cb -0.16 -3.66 0.08 0.00 -1.51 0.00 0.00 72.50 67.25 1vmf s THR 132 CO 0.01 -0.01 0.65 0.47 -2.21 0.00 0.00 174.62 173.53