#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxf s GLU -1 N 0.00 0.68 0.08 3.23 2.12 -1.26 -5.06 118.70 118.48 2vxf s GLU -1 Ca 0.00 -1.35 0.03 0.00 0.36 0.00 0.00 54.97 54.01 2vxf s GLU -1 Cb 0.00 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.78 2vxf s GLU -1 CO 0.00 -1.16 0.09 -0.51 -0.54 0.00 0.00 175.26 173.14 2vxf s ASP 0 N 1.09 5.59 0.17 -1.70 1.01 -1.26 -5.00 116.67 116.57 2vxf s ASP 0 Ca 0.16 0.01 -0.11 0.00 0.71 0.00 0.00 52.55 53.32 2vxf s ASP 0 Cb -0.22 -1.52 0.05 0.00 1.01 0.00 0.00 42.92 42.24 2vxf s ASP 0 CO -0.06 0.17 1.63 1.55 0.21 0.00 0.00 175.17 178.67 2vxf h PRO 1 N 3.27 0.98 -0.16 8.23 0.13 -2.00 0.29 132.00 142.75 2vxf h PRO 1 Ca -0.47 -0.30 -0.19 0.00 -0.87 0.00 0.00 66.00 64.17 2vxf h PRO 1 Cb 1.16 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2vxf h PRO 1 CO 0.67 0.97 -0.67 0.77 -0.23 0.00 0.00 178.00 179.50 2vxf h SER 2 N 0.86 0.72 0.60 1.44 0.02 -1.95 -3.06 113.55 112.18 2vxf h SER 2 Ca 0.16 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2vxf h SER 2 Cb 0.52 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2vxf h SER 2 CO 0.03 1.20 -0.36 1.23 -1.14 0.00 0.00 176.83 177.78 2vxf h GLY 3 N 0.94 0.00 1.58 -3.77 0.00 -1.91 -3.05 103.07 96.85 2vxf h GLY 3 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2vxf h GLY 3 CO 0.13 0.00 0.20 -1.33 0.00 0.00 0.00 176.54 175.54 2vxf h GLY 4 N 1.56 0.60 -6.77 4.60 0.00 -0.30 -3.39 103.07 99.36 2vxf h GLY 4 Ca -0.00 -0.26 -0.65 0.00 0.00 0.00 0.00 47.33 46.42 2vxf h GLY 4 CO 0.05 0.25 -0.66 -1.59 0.00 0.00 0.00 176.54 174.59 2vxf s THR 5 N -5.35 3.96 0.16 4.70 2.01 -1.15 -5.09 115.64 114.89 2vxf s THR 5 Ca -0.08 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2vxf s THR 5 Cb 0.17 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.79 2vxf s THR 5 CO 0.74 0.41 1.16 -2.16 -0.69 0.00 0.00 174.62 174.07 2vxf s PRO 6 N 1.22 4.53 0.22 4.92 0.04 -1.26 -4.92 135.00 139.74 2vxf s PRO 6 Ca 0.03 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2vxf s PRO 6 Cb -0.15 -3.27 0.21 0.00 0.04 0.00 0.00 34.50 31.34 2vxf s PRO 6 CO 0.01 -0.04 1.60 1.88 0.04 0.00 0.00 177.00 180.49 2vxf h TYR 7 N 5.40 0.72 -3.43 0.56 -1.99 -1.95 -3.43 116.97 112.85 2vxf h TYR 7 Ca -0.44 -0.20 -0.53 0.00 2.00 0.00 0.00 58.73 59.57 2vxf h TYR 7 Cb 1.21 -0.16 0.06 0.00 2.00 0.00 0.00 36.73 39.84 2vxf h TYR 7 CO 0.63 0.89 0.74 0.42 -0.00 0.00 0.00 178.16 180.84 2vxf s ILE 8 N -4.34 2.71 0.00 -2.88 1.01 -1.26 -2.21 121.20 114.24 2vxf s ILE 8 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2vxf s ILE 8 Cb 0.12 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2vxf s ILE 8 CO 0.83 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.48 2vxf n GLY 9 N 2.08 0.52 3.90 6.18 0.00 -0.71 -5.02 105.19 112.15 2vxf n GLY 9 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2vxf n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vxf s SER 10 N -2.84 6.47 -0.03 1.61 0.01 -0.94 -4.86 113.70 113.12 2vxf s SER 10 Ca 0.00 0.55 -0.26 0.00 1.31 0.00 0.00 55.95 57.55 2vxf s SER 10 Cb 0.00 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2vxf s SER 10 CO 0.00 0.06 0.82 -0.75 0.41 0.00 0.00 173.24 173.78 2vxf s LYS 11 N -2.67 4.49 0.07 12.44 2.20 -1.26 -1.94 119.74 133.06 2vxf s LYS 11 Ca 0.40 1.12 0.05 0.00 -0.36 0.00 0.00 55.97 57.18 2vxf s LYS 11 Cb -0.12 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2vxf s LYS 11 CO 0.25 0.03 -0.14 0.42 -0.36 0.00 0.00 175.35 175.55 2vxf s ILE 12 N 0.84 1.11 -0.11 5.43 1.01 -0.84 -2.91 121.20 125.73 2vxf s ILE 12 Ca 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2vxf s ILE 12 Cb -0.19 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2vxf s ILE 12 CO 0.23 -0.19 -0.10 -0.55 0.00 0.00 0.00 174.94 174.32 2vxf s SER 13 N -1.65 4.31 -0.06 3.58 0.15 -0.68 -2.69 113.70 116.66 2vxf s SER 13 Ca -0.02 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.48 2vxf s SER 13 Cb -0.10 -1.41 -0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2vxf s SER 13 CO 0.02 0.24 -0.20 -0.22 1.20 0.00 0.00 173.24 174.28 2vxf s LEU 14 N -0.09 1.96 -0.22 3.45 2.96 -0.50 -2.36 118.68 123.87 2vxf s LEU 14 Ca -0.01 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 2vxf s LEU 14 Cb -0.14 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 2vxf s LEU 14 CO 0.03 0.16 0.03 -0.63 -1.32 0.00 0.00 176.35 174.62 2vxf s ILE 15 N 0.14 4.10 0.58 6.68 1.01 -0.77 -1.90 121.20 131.03 2vxf s ILE 15 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2vxf s ILE 15 Cb -0.14 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.51 2vxf s ILE 15 CO 0.04 0.40 0.81 -0.44 0.00 0.00 0.00 174.94 175.75 2vxf s SER 16 N 1.23 5.07 0.64 3.58 0.01 -1.08 -0.45 113.70 122.69 2vxf s SER 16 Ca 0.04 -0.24 0.43 0.00 1.31 0.00 0.00 55.95 57.49 2vxf s SER 16 Cb -0.15 -0.51 2.33 0.00 0.21 0.00 0.00 66.02 67.91 2vxf s SER 16 CO 0.02 -1.30 2.31 0.50 0.41 0.00 0.00 173.24 175.19 2vxf h LYS 17 N 0.00 0.00 -0.59 12.44 3.64 -1.40 -1.53 116.57 129.12 2vxf h LYS 17 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2vxf h LYS 17 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2vxf h LYS 17 CO 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2vxf n ALA 18 N -2.05 2.83 -2.19 5.00 0.00 -1.26 -4.88 120.51 117.95 2vxf n ALA 18 Ca -0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 53.44 52.45 2vxf n ALA 18 Cb 0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 2vxf n ALA 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2vxf n GLU 19 N 0.40 -1.71 -4.05 0.00 1.02 -0.58 -4.97 120.64 110.76 2vxf n GLU 19 Ca 0.12 0.97 -0.31 0.00 -0.02 0.00 0.00 57.16 57.92 2vxf n GLU 19 Cb 0.51 -5.55 -0.06 0.00 -0.02 0.00 0.00 31.44 26.32 2vxf n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2vxf s ILE 20 N -2.86 4.74 -0.23 -3.67 1.01 -1.26 -4.47 121.20 114.46 2vxf s ILE 20 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2vxf s ILE 20 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2vxf s ILE 20 CO 0.00 0.21 0.04 -0.60 0.00 0.00 0.00 174.94 174.59 2vxf s ARG 21 N -2.17 3.62 -0.07 2.79 3.52 -1.26 -2.64 118.95 122.74 2vxf s ARG 21 Ca 0.28 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 2vxf s ARG 21 Cb -0.12 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 2vxf s ARG 21 CO 0.20 -0.13 -0.10 0.71 -0.81 0.00 0.00 175.30 175.17 2vxf s TYR 22 N 1.42 2.85 -0.01 5.12 2.02 -0.80 -2.45 117.35 125.50 2vxf s TYR 22 Ca 0.05 -0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2vxf s TYR 22 Cb -0.15 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2vxf s TYR 22 CO 0.02 0.21 -0.26 -1.21 -1.57 0.00 0.00 175.55 172.75 2vxf s GLU 23 N -0.61 2.02 0.24 -0.62 2.02 -0.95 -1.42 118.70 119.39 2vxf s GLU 23 Ca 0.09 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 2vxf s GLU 23 Cb -0.11 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.19 2vxf s GLU 23 CO 0.02 0.54 0.84 0.41 0.02 0.00 0.00 175.26 177.08 2vxf n GLY 24 N 2.35 0.84 3.59 -1.39 0.00 -1.09 -1.67 105.19 107.82 2vxf n GLY 24 Ca -0.16 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 2vxf n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vxf s ILE 25 N -2.14 4.16 -0.18 -0.61 -1.09 -1.09 -1.98 121.20 118.26 2vxf s ILE 25 Ca 0.18 -0.28 -0.28 0.00 -2.23 0.00 0.00 60.65 58.03 2vxf s ILE 25 Cb -0.03 -2.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 2vxf s ILE 25 CO 0.07 0.54 2.11 -0.22 -1.23 0.00 0.00 174.94 176.21 2vxf s LEU 26 N -0.21 3.64 -0.22 2.97 2.96 -0.82 -2.76 118.68 124.24 2vxf s LEU 26 Ca 0.05 1.96 -0.17 0.00 -0.22 0.00 0.00 54.13 55.75 2vxf s LEU 26 Cb -0.13 -3.52 -0.14 0.00 0.50 0.00 0.00 46.19 42.91 2vxf s LEU 26 CO 0.02 -1.75 -0.07 0.00 -1.32 0.00 0.00 176.35 173.23 2vxf n TYR 27 N 10.70 0.59 -3.85 5.38 9.36 -1.05 -1.74 117.16 136.54 2vxf n TYR 27 Ca 0.27 0.25 -0.12 0.00 3.32 0.00 0.00 57.90 61.63 2vxf n TYR 27 Cb 0.44 -0.98 -0.12 0.00 -0.63 0.00 0.00 39.34 38.06 2vxf n TYR 27 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2vxf s THR 28 N -2.44 0.03 -0.15 2.97 -4.23 -1.12 -4.84 115.64 105.86 2vxf s THR 28 Ca -0.31 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2vxf s THR 28 Cb 0.08 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.65 2vxf s THR 28 CO 0.50 -0.15 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.64 2vxf s ILE 29 N -0.47 2.58 -0.49 2.99 1.01 -1.26 -2.15 121.20 123.41 2vxf s ILE 29 Ca -0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2vxf s ILE 29 Cb -0.04 -2.08 0.13 0.00 0.01 0.00 0.00 42.46 40.48 2vxf s ILE 29 CO 0.01 0.52 0.30 -0.62 0.00 0.00 0.00 174.94 175.15 2vxf s ASP 30 N 0.83 5.32 0.19 3.58 2.15 -0.80 -4.95 116.67 122.99 2vxf s ASP 30 Ca -0.05 -2.30 -0.03 0.00 0.43 0.00 0.00 52.55 50.60 2vxf s ASP 30 Cb -0.15 -1.86 0.12 0.00 -0.30 0.00 0.00 42.92 40.73 2vxf s ASP 30 CO -0.01 -0.50 1.52 0.74 -0.17 0.00 0.00 175.17 176.75 2vxf h THR 31 N 5.96 1.32 -0.11 1.71 2.02 -1.98 -2.42 112.91 119.42 2vxf h THR 31 Ca -0.10 -1.76 0.03 0.00 0.77 0.00 0.00 66.41 65.36 2vxf h THR 31 Cb 1.02 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2vxf h THR 31 CO 0.72 0.55 0.08 -0.08 0.37 0.00 0.00 175.52 177.16 2vxf h GLU 32 N 0.44 0.00 -0.13 6.66 4.81 -1.94 -2.00 114.58 122.42 2vxf h GLU 32 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2vxf h GLU 32 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2vxf h GLU 32 CO 0.10 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.47 2vxf n ASN 33 N -4.40 2.65 -3.92 1.04 4.13 -1.22 -4.99 115.26 108.55 2vxf n ASN 33 Ca -0.00 -2.43 -0.26 0.00 1.68 0.00 0.00 54.58 53.57 2vxf n ASN 33 Cb 0.19 -0.25 -0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2vxf n ASN 33 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2vxf n SER 34 N -0.46 -1.25 -4.13 6.41 7.64 -0.75 -4.88 113.62 116.19 2vxf n SER 34 Ca 0.10 -0.94 -0.17 0.00 1.01 0.00 0.00 58.87 58.87 2vxf n SER 34 Cb 0.50 -3.35 -0.12 0.00 -1.01 0.00 0.00 64.21 60.23 2vxf n SER 34 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2vxf s THR 35 N -3.76 0.95 -0.01 0.44 -4.23 -0.92 -2.33 115.64 105.78 2vxf s THR 35 Ca 0.14 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2vxf s THR 35 Cb -0.07 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 2vxf s THR 35 CO 0.87 -0.19 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.95 2vxf s VAL 36 N -1.14 0.91 -0.15 2.29 1.01 -0.92 -1.91 120.40 120.49 2vxf s VAL 36 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2vxf s VAL 36 Cb -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2vxf s VAL 36 CO 0.01 0.26 -0.10 0.00 0.00 0.00 0.00 175.10 175.28 2vxf s ALA 37 N -0.24 2.74 -0.05 5.51 0.00 -0.91 -2.26 121.76 126.54 2vxf s ALA 37 Ca 0.04 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2vxf s ALA 37 Cb -0.05 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2vxf s ALA 37 CO -0.00 0.17 -0.19 -0.51 0.00 0.00 0.00 175.76 175.22 2vxf s LEU 38 N 0.48 2.42 0.33 0.00 1.43 -0.98 -2.54 118.68 119.81 2vxf s LEU 38 Ca -0.07 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2vxf s LEU 38 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2vxf s LEU 38 CO 0.04 0.30 0.01 0.00 0.23 0.00 0.00 176.35 176.93 2vxf s ALA 39 N -0.49 3.20 -1.16 4.21 0.00 -1.11 -2.20 121.76 124.21 2vxf s ALA 39 Ca 0.06 -1.91 -0.16 0.00 0.00 0.00 0.00 51.96 49.95 2vxf s ALA 39 Cb -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2vxf s ALA 39 CO 0.01 0.10 0.78 1.63 0.00 0.00 0.00 175.76 178.28 2vxf n LYS 40 N -0.94 -1.79 -4.49 0.00 5.02 -0.88 -2.65 118.16 112.43 2vxf n LYS 40 Ca -0.04 0.52 -0.28 0.00 -2.02 0.00 0.00 58.31 56.49 2vxf n LYS 40 Cb 0.62 -4.47 -0.13 0.00 -0.02 0.00 0.00 35.03 31.03 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2vxf s VAL 41 N -3.50 2.04 0.03 -0.18 0.11 -1.02 -4.19 120.40 113.69 2vxf s VAL 41 Ca 0.41 -1.58 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2vxf s VAL 41 Cb -0.13 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 2vxf s VAL 41 CO 0.84 0.12 -0.06 -0.60 -3.33 0.00 0.00 175.10 172.07 2vxf s ARG 42 N -1.78 0.42 -0.15 1.54 3.52 -0.67 -2.13 118.95 119.70 2vxf s ARG 42 Ca 0.11 -0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 54.95 2vxf s ARG 42 Cb -0.10 -0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.09 2vxf s ARG 42 CO 0.04 0.02 0.28 -1.54 -0.81 0.00 0.00 175.30 173.29 2vxf s SER 43 N -1.36 6.44 0.09 -2.12 1.04 -1.26 -2.25 113.70 114.28 2vxf s SER 43 Ca -0.11 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.70 2vxf s SER 43 Cb -0.09 -2.17 -0.17 0.00 0.10 0.00 0.00 66.02 63.69 2vxf s SER 43 CO -0.00 0.15 1.27 -0.26 0.98 0.00 0.00 173.24 175.38 2vxf h PHE 44 N 6.39 1.04 0.00 5.02 0.04 -1.89 -3.49 116.94 124.06 2vxf h PHE 44 Ca -0.43 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 59.86 2vxf h PHE 44 Cb 1.17 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.17 2vxf h PHE 44 CO 0.62 1.31 0.00 0.41 -0.60 0.00 0.00 178.31 180.05 2vxf n GLY 45 N 0.78 0.65 0.00 -1.45 0.00 -1.26 -5.02 105.19 98.89 2vxf n GLY 45 Ca -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 44.91 2vxf n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vxf n THR 46 N -0.62 0.00 0.24 2.61 -2.24 -1.26 -4.32 114.28 108.70 2vxf n THR 46 Ca 0.00 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2vxf n THR 46 Cb 0.00 0.35 0.57 0.00 -2.10 0.00 0.00 70.33 69.16 2vxf n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2vxf h GLU 47 N 0.00 0.02 -0.24 -0.78 4.81 -1.96 -1.23 114.58 115.20 2vxf h GLU 47 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vxf h GLU 47 Cb 0.29 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2vxf h GLU 47 CO 0.00 0.09 0.15 0.22 -0.73 0.00 0.00 179.01 178.74 2vxf h ASP 48 N 0.02 0.27 -3.96 1.04 -0.00 -1.94 -3.32 116.42 108.52 2vxf h ASP 48 Ca 0.00 -0.01 -0.65 0.00 -0.00 0.00 0.00 57.03 56.38 2vxf h ASP 48 Cb 0.13 -0.07 -0.40 0.00 -0.00 0.00 0.00 39.33 38.99 2vxf h ASP 48 CO 0.01 0.21 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.64 2vxf s ARG 49 N -5.29 1.66 0.22 0.28 3.00 -0.46 -5.09 118.95 113.26 2vxf s ARG 49 Ca -0.07 -2.18 -0.32 0.00 0.00 0.00 0.00 55.73 53.16 2vxf s ARG 49 Cb 0.17 -3.16 -0.13 0.00 0.00 0.00 0.00 34.95 31.82 2vxf s ARG 49 CO 0.71 -1.03 1.52 -2.30 0.00 0.00 0.00 175.30 174.20 2vxf n PRO 50 N 3.73 2.23 -4.45 3.54 -0.02 -1.25 -4.92 135.00 133.86 2vxf n PRO 50 Ca 0.04 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 62.07 2vxf n PRO 50 Cb 0.37 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 2vxf n PRO 50 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2vxf s THR 51 N 0.37 2.42 -0.76 3.45 -4.23 -1.26 -5.03 115.64 110.60 2vxf s THR 51 Ca 0.72 -2.09 0.26 0.00 -1.18 0.00 0.00 61.69 59.39 2vxf s THR 51 Cb -0.63 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 70.75 2vxf s THR 51 CO 0.44 -0.20 1.78 0.47 -0.54 0.00 0.00 174.62 176.57 2vxf n ASP 52 N -0.87 0.58 -4.35 3.99 10.43 -1.26 -4.75 116.55 120.31 2vxf n ASP 52 Ca -0.05 0.57 -0.32 0.00 2.57 0.00 0.00 54.79 57.57 2vxf n ASP 52 Cb 0.63 -0.72 -0.15 0.00 1.84 0.00 0.00 41.12 42.72 2vxf n ASP 52 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2vxf s ARG 53 N -3.11 2.32 0.56 -1.24 1.70 -1.26 -5.12 118.95 112.79 2vxf s ARG 53 Ca 0.10 -0.86 -0.20 0.00 -0.47 0.00 0.00 55.73 54.31 2vxf s ARG 53 Cb 0.13 -2.17 -0.05 0.00 -0.57 0.00 0.00 34.95 32.29 2vxf s ARG 53 CO 0.53 0.54 1.17 -2.14 -1.08 0.00 0.00 175.30 174.32 2vxf s PRO 54 N -0.55 3.23 -0.05 3.89 0.02 -1.26 -5.05 135.00 135.22 2vxf s PRO 54 Ca 0.08 1.73 0.03 0.00 0.02 0.00 0.00 61.00 62.86 2vxf s PRO 54 Cb -0.11 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 2vxf s PRO 54 CO 0.00 -0.98 -0.13 0.42 -0.33 0.00 0.00 177.00 175.98 2vxf s ILE 55 N -1.66 3.15 0.61 2.83 -1.09 -1.26 -5.11 121.20 118.66 2vxf s ILE 55 Ca 0.74 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 58.30 2vxf s ILE 55 Cb -0.27 -2.24 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 2vxf s ILE 55 CO 0.31 0.59 1.13 0.00 -1.23 0.00 0.00 174.94 175.74 2vxf s ALA 56 N -0.74 2.55 0.44 9.38 0.00 -1.26 -4.97 121.76 127.16 2vxf s ALA 56 Ca 0.12 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 2vxf s ALA 56 Cb -0.11 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 2vxf s ALA 56 CO 0.01 -1.09 1.35 -2.14 0.00 0.00 0.00 175.76 173.88 2vxf s PRO 57 N -3.66 3.79 -0.25 0.00 0.02 -1.26 -5.03 135.00 128.60 2vxf s PRO 57 Ca 0.71 2.24 -0.17 0.00 0.02 0.00 0.00 61.00 63.80 2vxf s PRO 57 Cb -0.23 -2.67 0.07 0.00 0.02 0.00 0.00 34.50 31.69 2vxf s PRO 57 CO 0.35 -0.67 0.64 -0.98 -0.33 0.00 0.00 177.00 176.01 2vxf s ARG 58 N -2.39 0.68 -0.08 5.54 1.70 -1.26 -5.05 118.95 118.09 2vxf s ARG 58 Ca 0.60 1.07 0.22 0.00 -0.47 0.00 0.00 55.73 57.16 2vxf s ARG 58 Cb -0.40 0.18 0.41 0.00 -0.57 0.00 0.00 34.95 34.57 2vxf s ARG 58 CO 0.51 -0.13 1.15 -0.25 -1.08 0.00 0.00 175.30 175.50 2vxf n ASP 59 N 3.86 0.86 -4.82 -2.89 8.00 -1.26 -5.05 116.55 115.24 2vxf n ASP 59 Ca -0.19 -2.01 -0.22 0.00 0.71 0.00 0.00 54.79 53.07 2vxf n ASP 59 Cb 0.57 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 2vxf n ASP 59 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2vxf s GLU 60 N -0.97 2.40 -0.05 -1.24 2.02 -1.26 -5.13 118.70 114.48 2vxf s GLU 60 Ca 0.28 -1.67 -0.03 0.00 0.02 0.00 0.00 54.97 53.57 2vxf s GLU 60 Cb 0.34 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2vxf s GLU 60 CO -0.12 -0.18 0.10 0.99 0.02 0.00 0.00 175.26 176.07 2vxf s THR 61 N -2.53 4.97 -0.21 3.63 2.01 -1.26 -4.80 115.64 117.46 2vxf s THR 61 Ca 0.45 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 2vxf s THR 61 Cb -0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2vxf s THR 61 CO 0.26 0.46 0.10 -0.36 -0.69 0.00 0.00 174.62 174.39 2vxf s PHE 62 N -1.12 3.29 0.09 4.92 0.40 -0.91 -5.00 117.98 119.67 2vxf s PHE 62 Ca 0.20 0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.50 2vxf s PHE 62 Cb -0.12 -2.16 -0.08 0.00 0.51 0.00 0.00 43.02 41.17 2vxf s PHE 62 CO 0.10 0.12 1.47 1.49 0.70 0.00 0.00 175.22 179.10 2vxf h GLU 63 N 7.03 0.60 -2.67 0.44 4.81 -1.94 -2.71 114.58 120.14 2vxf h GLU 63 Ca -0.38 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.45 2vxf h GLU 63 Cb 1.16 -0.02 -0.29 0.00 0.63 0.00 0.00 28.75 30.23 2vxf h GLU 63 CO 0.69 0.82 -0.42 -0.47 -0.73 0.00 0.00 179.01 178.91 2vxf s TYR 64 N -4.64 -0.62 0.04 0.92 6.14 -1.26 -2.07 117.35 115.86 2vxf s TYR 64 Ca -0.13 1.27 0.05 0.00 0.64 0.00 0.00 57.07 58.90 2vxf s TYR 64 Cb 0.08 0.18 -0.02 0.00 0.42 0.00 0.00 41.96 42.62 2vxf s TYR 64 CO 0.79 -0.41 -0.14 0.42 0.64 0.00 0.00 175.55 176.85 2vxf s ILE 65 N 2.30 1.13 -0.10 3.14 1.01 -0.94 -5.03 121.20 122.71 2vxf s ILE 65 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 2vxf s ILE 65 Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2vxf s ILE 65 CO -0.11 -0.03 -0.05 -0.63 0.00 0.00 0.00 174.94 174.12 2vxf s ILE 66 N -0.91 3.84 -0.00 2.92 1.01 -1.26 -2.32 121.20 124.47 2vxf s ILE 66 Ca 0.01 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2vxf s ILE 66 Cb -0.08 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2vxf s ILE 66 CO 0.01 0.56 -0.16 -0.36 0.00 0.00 0.00 174.94 175.00 2vxf s PHE 67 N -0.41 1.41 0.12 3.97 0.08 -0.96 -5.04 117.98 117.16 2vxf s PHE 67 Ca 0.06 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.88 2vxf s PHE 67 Cb -0.12 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 2vxf s PHE 67 CO 0.02 -0.01 0.08 1.03 -0.10 0.00 0.00 175.22 176.24 2vxf s ARG 68 N -0.50 2.78 0.58 0.44 0.52 -1.26 -2.16 118.95 119.35 2vxf s ARG 68 Ca 0.06 -0.83 0.28 0.00 -0.52 0.00 0.00 55.73 54.72 2vxf s ARG 68 Cb -0.06 -2.62 1.62 0.00 0.52 0.00 0.00 34.95 34.40 2vxf s ARG 68 CO -0.00 0.52 2.09 0.78 0.02 0.00 0.00 175.30 178.71 2vxf h GLY 69 N 2.91 0.00 0.85 -3.53 0.00 -1.80 -2.08 103.07 99.42 2vxf h GLY 69 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2vxf h GLY 69 CO 0.63 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 177.40 2vxf h SER 70 N 0.00 0.43 0.76 0.19 0.87 -1.94 -3.25 113.55 110.61 2vxf h SER 70 Ca 0.10 -0.31 -0.25 0.00 -1.23 0.00 0.00 61.79 60.09 2vxf h SER 70 Cb 0.52 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2vxf h SER 70 CO -0.00 0.64 -1.24 -2.24 -0.53 0.00 0.00 176.83 173.46 2vxf h ASP 71 N 0.21 0.15 -3.91 6.23 2.03 -1.83 -3.46 116.42 115.84 2vxf h ASP 71 Ca 0.07 -0.18 -0.52 0.00 -0.73 0.00 0.00 57.03 55.67 2vxf h ASP 71 Cb 0.42 -0.05 0.07 0.00 -0.83 0.00 0.00 39.33 38.94 2vxf h ASP 71 CO 0.01 1.15 0.60 -0.63 -1.03 0.00 0.00 179.24 179.34 2vxf s ILE 72 N -2.67 2.77 -0.25 4.15 1.01 -0.84 -1.05 121.20 124.31 2vxf s ILE 72 Ca -0.02 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.33 2vxf s ILE 72 Cb 0.09 -3.44 -0.15 0.00 0.01 0.00 0.00 42.46 38.96 2vxf s ILE 72 CO 0.84 0.14 -0.25 1.17 0.00 0.00 0.00 174.94 176.83 2vxf n LYS 73 N 0.47 0.61 -3.78 2.79 3.00 0.40 -4.80 118.16 116.85 2vxf n LYS 73 Ca 0.02 0.17 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 2vxf n LYS 73 Cb 0.43 -1.49 -0.10 0.00 0.00 0.00 0.00 35.03 33.87 2vxf n LYS 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2vxf s ASP 74 N -6.66 -0.22 -0.08 3.14 3.68 -1.11 -5.02 116.67 110.39 2vxf s ASP 74 Ca -0.34 0.32 0.02 0.00 2.13 0.00 0.00 52.55 54.68 2vxf s ASP 74 Cb 0.10 0.45 0.01 0.00 -1.45 0.00 0.00 42.92 42.03 2vxf s ASP 74 CO 0.55 -0.24 -0.14 -0.22 0.13 0.00 0.00 175.17 175.25 2vxf s LEU 75 N -0.50 1.67 0.01 -1.34 0.20 -1.26 -1.85 118.68 115.61 2vxf s LEU 75 Ca -0.06 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2vxf s LEU 75 Cb -0.04 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.78 2vxf s LEU 75 CO 0.02 0.03 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.16 2vxf s THR 76 N 0.78 0.45 0.04 3.68 2.01 -1.00 -5.05 115.64 116.55 2vxf s THR 76 Ca -0.12 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2vxf s THR 76 Cb -0.16 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2vxf s THR 76 CO 0.02 0.01 0.35 -0.69 -0.69 0.00 0.00 174.62 173.62 2vxf s VAL 77 N -0.41 5.17 -0.05 3.82 1.01 -1.26 -1.68 120.40 127.00 2vxf s VAL 77 Ca -0.01 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2vxf s VAL 77 Cb -0.04 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2vxf s VAL 77 CO -0.00 0.37 0.02 0.00 0.00 0.00 0.00 175.10 175.49 2vxf s GLU 79 N -2.14 4.03 0.71 0.00 2.12 -1.24 -5.04 118.70 117.14 2vxf s GLU 79 Ca -0.03 0.80 -0.11 0.00 0.36 0.00 0.00 54.97 56.00 2vxf s GLU 79 Cb 0.02 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.71 2vxf s GLU 79 CO 0.22 -0.72 1.07 -1.25 -0.54 0.00 0.00 175.26 174.04 2vxf s PRO 80 N 3.14 2.81 0.63 4.30 0.04 -1.26 -4.89 135.00 139.78 2vxf s PRO 80 Ca 0.37 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2vxf s PRO 80 Cb -0.14 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2vxf s PRO 80 CO 0.12 -1.14 1.14 -1.25 0.04 0.00 0.00 177.00 175.92 2vxf s PRO 81 N -5.15 2.86 0.39 0.56 0.04 -1.26 -5.02 135.00 127.42 2vxf s PRO 81 Ca 0.58 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2vxf s PRO 81 Cb -0.13 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2vxf s PRO 81 CO 0.54 -1.23 0.76 0.15 0.04 0.00 0.00 177.00 177.26 2vxf s LYS 82 N -3.76 3.81 0.46 4.56 1.02 -1.26 -5.04 119.74 119.52 2vxf s LYS 82 Ca 0.71 0.49 -0.23 0.00 0.02 0.00 0.00 55.97 56.95 2vxf s LYS 82 Cb -0.24 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.60 2vxf s LYS 82 CO 0.37 -0.00 1.21 -1.25 -0.92 0.00 0.00 175.35 174.75 2vxf s PRO 83 N -3.72 3.74 0.14 -1.68 0.04 -1.26 -5.05 135.00 127.22 2vxf s PRO 83 Ca 0.51 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.53 2vxf s PRO 83 Cb -0.10 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2vxf s PRO 83 CO 0.29 -0.59 -0.21 0.96 0.04 0.00 0.00 177.00 177.49 2vxf s ILE 84 N -1.46 1.91 0.00 0.56 -4.36 -1.26 -5.31 121.20 111.28 2vxf s ILE 84 Ca 0.63 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 2vxf s ILE 84 Cb -0.31 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.60 2vxf s ILE 84 CO 0.38 -0.14 0.00 0.23 0.24 0.00 0.00 174.94 175.65