#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 4.35 0.08 1.96 2.02 -1.26 -5.02 118.70 120.83 2vxf s GLU -1 Ca 0.00 2.18 0.03 0.00 0.02 0.00 0.00 54.97 57.20 2vxf s GLU -1 Cb 0.00 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2vxf s GLU -1 CO 0.00 -0.26 0.09 -0.51 0.02 0.00 0.00 175.26 174.60 2vxf s ASP 0 N -0.03 5.60 0.44 -0.19 1.01 -1.26 -5.00 116.67 117.23 2vxf s ASP 0 Ca 0.54 0.01 0.16 0.00 0.71 0.00 0.00 52.55 53.97 2vxf s ASP 0 Cb -0.39 -1.52 1.00 0.00 1.01 0.00 0.00 42.92 43.01 2vxf s ASP 0 CO 0.46 0.17 1.97 1.55 0.21 0.00 0.00 175.17 179.52 2vxf h PRO 1 N 3.26 0.00 -0.04 8.23 0.13 -2.03 -2.16 132.00 139.39 2vxf h PRO 1 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2vxf h PRO 1 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2vxf h PRO 1 CO 0.67 0.22 -0.17 1.03 -0.23 0.00 0.00 178.00 179.51 2vxf h SER 2 N 0.00 0.06 0.40 1.44 0.87 -1.96 -1.91 113.55 112.44 2vxf h SER 2 Ca -0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2vxf h SER 2 Cb 0.40 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2vxf h SER 2 CO 0.03 0.24 -0.10 1.23 -0.53 0.00 0.00 176.83 177.70 2vxf h GLY 3 N 0.62 0.00 1.94 5.77 0.00 -1.80 -2.66 103.07 106.94 2vxf h GLY 3 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2vxf h GLY 3 CO 0.02 0.00 0.02 -1.33 0.00 0.00 0.00 176.54 175.25 2vxf h GLY 4 N 0.89 0.08 -3.90 4.60 0.00 -1.44 -3.42 103.07 99.89 2vxf h GLY 4 Ca -0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 47.33 46.77 2vxf h GLY 4 CO 0.01 0.03 0.64 -1.59 0.00 0.00 0.00 176.54 175.64 2vxf s THR 5 N -5.08 2.73 0.05 4.70 2.01 -1.00 -4.93 115.64 114.11 2vxf s THR 5 Ca -0.05 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 2vxf s THR 5 Cb 0.17 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 2vxf s THR 5 CO 0.68 0.17 1.59 -2.16 -0.69 0.00 0.00 174.62 174.22 2vxf s PRO 6 N -1.72 4.22 0.56 4.92 0.04 -1.26 -4.88 135.00 136.86 2vxf s PRO 6 Ca 0.49 2.24 0.35 0.00 0.04 0.00 0.00 61.00 64.12 2vxf s PRO 6 Cb -0.40 -3.60 1.46 0.00 0.04 0.00 0.00 34.50 32.00 2vxf s PRO 6 CO 0.52 -0.70 2.02 1.88 0.04 0.00 0.00 177.00 180.76 2vxf h TYR 7 N 8.24 0.00 -3.70 0.56 -1.99 -1.91 -3.45 116.97 114.72 2vxf h TYR 7 Ca -0.41 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 59.78 2vxf h TYR 7 Cb 1.19 0.00 0.10 0.00 2.00 0.00 0.00 36.73 40.02 2vxf h TYR 7 CO 0.78 0.00 0.82 0.42 -0.00 0.00 0.00 178.16 180.17 2vxf s ILE 8 N -3.71 2.08 0.00 -2.88 1.01 -1.26 -1.94 121.20 114.50 2vxf s ILE 8 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2vxf s ILE 8 Cb 0.09 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.52 2vxf s ILE 8 CO 0.53 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2vxf n GLY 9 N 1.14 0.79 3.84 6.18 0.00 -0.85 -5.00 105.19 111.29 2vxf n GLY 9 Ca 0.04 0.00 -0.29 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 -2.95 5.84 0.02 1.61 0.01 -0.82 -4.90 113.70 112.50 2vxf s SER 10 Ca 0.00 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 2vxf s SER 10 Cb 0.00 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 2vxf s SER 10 CO 0.00 0.13 1.03 -0.54 0.41 0.00 0.00 173.24 174.28 2vxf s LYS 11 N -2.70 4.53 0.05 12.44 1.02 -1.26 -2.32 119.74 131.49 2vxf s LYS 11 Ca 0.32 1.51 0.04 0.00 0.02 0.00 0.00 55.97 57.85 2vxf s LYS 11 Cb -0.12 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2vxf s LYS 11 CO 0.25 -0.10 -0.11 0.42 -0.92 0.00 0.00 175.35 174.88 2vxf s ILE 12 N 1.02 0.86 -0.09 2.17 1.01 -0.92 -2.50 121.20 122.75 2vxf s ILE 12 Ca 0.54 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 60.17 2vxf s ILE 12 Cb -0.23 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 2vxf s ILE 12 CO 0.28 -0.18 -0.18 -0.55 0.00 0.00 0.00 174.94 174.32 2vxf s SER 13 N -1.36 3.68 -0.04 3.58 0.15 -0.78 -2.63 113.70 116.29 2vxf s SER 13 Ca -0.03 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.31 2vxf s SER 13 Cb -0.09 -1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.01 2vxf s SER 13 CO 0.01 0.23 -0.20 -0.22 1.20 0.00 0.00 173.24 174.26 2vxf s LEU 14 N -0.06 1.98 -0.22 3.45 2.96 -0.55 -2.31 118.68 123.94 2vxf s LEU 14 Ca -0.04 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2vxf s LEU 14 Cb -0.14 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 2vxf s LEU 14 CO 0.04 0.20 0.01 -0.63 -1.32 0.00 0.00 176.35 174.65 2vxf s ILE 15 N -0.14 3.89 0.58 6.68 1.01 -0.71 -1.91 121.20 130.60 2vxf s ILE 15 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2vxf s ILE 15 Cb -0.11 -2.78 0.06 0.00 0.01 0.00 0.00 42.46 39.64 2vxf s ILE 15 CO 0.02 0.40 0.81 -0.44 0.00 0.00 0.00 174.94 175.73 2vxf s SER 16 N 1.30 5.05 0.67 3.58 0.01 -1.08 -0.60 113.70 122.62 2vxf s SER 16 Ca 0.04 -0.24 0.44 0.00 1.31 0.00 0.00 55.95 57.51 2vxf s SER 16 Cb -0.15 -0.50 2.41 0.00 0.21 0.00 0.00 66.02 68.00 2vxf s SER 16 CO 0.01 -1.32 2.36 0.50 0.41 0.00 0.00 173.24 175.20 2vxf h LYS 17 N -0.02 0.00 -0.66 12.44 3.64 -0.80 -1.60 116.57 129.58 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 -2.07 2.99 -2.26 5.00 0.00 -1.26 -4.88 120.51 118.02 2vxf n ALA 18 Ca -0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 53.44 52.31 2vxf n ALA 18 Cb 0.08 -1.04 -0.02 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 0.43 -1.74 -4.08 0.00 1.02 -0.60 -4.92 120.64 110.75 2vxf n GLU 19 Ca 0.14 0.95 -0.32 0.00 -0.02 0.00 0.00 57.16 57.92 2vxf n GLU 19 Cb 0.62 -5.55 -0.07 0.00 -0.02 0.00 0.00 31.44 26.42 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 -2.89 4.61 -0.24 -3.67 1.01 -1.26 -4.45 121.20 114.32 2vxf s ILE 20 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2vxf s ILE 20 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2vxf s ILE 20 CO 0.00 0.24 0.06 -0.60 0.00 0.00 0.00 174.94 174.64 2vxf s ARG 21 N -2.07 3.69 -0.08 2.79 3.52 -1.26 -2.65 118.95 122.88 2vxf s ARG 21 Ca 0.26 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2vxf s ARG 21 Cb -0.12 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2vxf s ARG 21 CO 0.18 -0.12 -0.10 0.71 -0.81 0.00 0.00 175.30 175.16 2vxf s TYR 22 N 1.42 2.85 -0.02 5.12 2.02 -0.80 -2.39 117.35 125.55 2vxf s TYR 22 Ca 0.05 -0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.62 2vxf s TYR 22 Cb -0.15 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2vxf s TYR 22 CO 0.03 0.13 -0.23 -2.00 -1.57 0.00 0.00 175.55 171.92 2vxf s GLU 23 N -0.41 2.17 0.23 -0.62 2.12 -0.94 -1.48 118.70 119.76 2vxf s GLU 23 Ca 0.05 -0.90 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 2vxf s GLU 23 Cb -0.12 -2.12 0.06 0.00 0.26 0.00 0.00 34.13 32.21 2vxf s GLU 23 CO 0.02 0.57 0.85 0.41 -0.54 0.00 0.00 175.26 176.58 2vxf n GLY 24 N 2.30 0.81 3.68 -1.50 0.00 -1.08 -1.57 105.19 107.83 2vxf n GLY 24 Ca -0.16 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 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 4.36 -0.16 -0.61 -1.09 -1.07 -2.18 121.20 118.32 2vxf s ILE 25 Ca 0.18 -0.22 -0.29 0.00 -2.23 0.00 0.00 60.65 58.09 2vxf s ILE 25 Cb -0.03 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2vxf s ILE 25 CO 0.07 0.60 1.79 -0.22 -1.23 0.00 0.00 174.94 175.95 2vxf s LEU 26 N -0.78 3.95 -0.25 2.97 2.96 -0.98 -2.68 118.68 123.87 2vxf s LEU 26 Ca 0.12 1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 55.78 2vxf s LEU 26 Cb -0.12 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 2vxf s LEU 26 CO 0.02 -1.32 -0.26 0.00 -1.32 0.00 0.00 176.35 173.48 2vxf n TYR 27 N 8.75 0.21 -3.84 5.38 9.36 -1.10 -2.00 117.16 133.92 2vxf n TYR 27 Ca 0.21 0.09 -0.12 0.00 3.32 0.00 0.00 57.90 61.40 2vxf n TYR 27 Cb 0.44 -0.93 -0.12 0.00 -0.63 0.00 0.00 39.34 38.11 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 -2.54 0.03 -0.14 2.97 -4.23 -1.13 -4.87 115.64 105.73 2vxf s THR 28 Ca -0.35 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2vxf s THR 28 Cb 0.11 -0.30 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 2vxf s THR 28 CO 0.48 -0.13 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.64 2vxf s ILE 29 N -0.42 2.63 -0.52 2.99 1.01 -1.26 -2.07 121.20 123.55 2vxf s ILE 29 Ca -0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2vxf s ILE 29 Cb -0.03 -2.09 0.14 0.00 0.01 0.00 0.00 42.46 40.48 2vxf s ILE 29 CO 0.01 0.53 0.33 -0.62 0.00 0.00 0.00 174.94 175.19 2vxf s ASP 30 N 0.62 5.31 0.18 3.58 3.68 -0.72 -4.95 116.67 124.38 2vxf s ASP 30 Ca -0.09 -2.42 -0.06 0.00 2.13 0.00 0.00 52.55 52.11 2vxf s ASP 30 Cb -0.16 -1.86 0.09 0.00 -1.45 0.00 0.00 42.92 39.54 2vxf s ASP 30 CO 0.03 -0.48 1.55 0.74 0.13 0.00 0.00 175.17 177.14 2vxf h THR 31 N 5.81 1.28 -0.04 1.71 2.02 -1.98 -2.44 112.91 119.27 2vxf h THR 31 Ca -0.08 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.59 2vxf h THR 31 Cb 1.00 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2vxf h THR 31 CO 0.72 0.50 0.03 -0.33 0.37 0.00 0.00 175.52 176.81 2vxf h GLU 32 N 0.65 0.00 -0.20 6.66 5.08 -1.94 -2.04 114.58 122.79 2vxf h GLU 32 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2vxf h GLU 32 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2vxf h GLU 32 CO 0.08 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 2vxf n ASN 33 N -4.37 2.87 -3.96 1.42 3.02 -1.21 -4.98 115.26 108.04 2vxf n ASN 33 Ca -0.02 -2.41 -0.28 0.00 -0.03 0.00 0.00 54.58 51.84 2vxf n ASN 33 Cb 0.13 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2vxf n ASN 33 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2vxf n SER 34 N -0.25 -2.10 -4.14 6.41 7.64 -0.77 -4.89 113.62 115.51 2vxf n SER 34 Ca 0.12 -0.93 -0.17 0.00 1.01 0.00 0.00 58.87 58.90 2vxf n SER 34 Cb 0.53 -3.34 -0.12 0.00 -1.01 0.00 0.00 64.21 60.27 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 -3.62 0.98 -0.00 0.44 -4.23 -0.93 -2.29 115.64 105.99 2vxf s THR 35 Ca 0.31 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2vxf s THR 35 Cb -0.16 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 2vxf s THR 35 CO 0.87 -0.25 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.92 2vxf s VAL 36 N -1.27 0.74 -0.14 2.29 1.01 -0.94 -1.76 120.40 120.33 2vxf s VAL 36 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2vxf s VAL 36 Cb -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2vxf s VAL 36 CO 0.02 0.18 -0.09 0.00 0.00 0.00 0.00 175.10 175.20 2vxf s ALA 37 N -0.29 2.77 -0.04 5.51 0.00 -0.88 -2.25 121.76 126.59 2vxf s ALA 37 Ca 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2vxf s ALA 37 Cb -0.04 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 2vxf s ALA 37 CO -0.00 0.20 -0.20 -0.51 0.00 0.00 0.00 175.76 175.25 2vxf s LEU 38 N 0.41 2.41 0.31 0.00 1.43 -0.96 -2.71 118.68 119.57 2vxf s LEU 38 Ca -0.08 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2vxf s LEU 38 Cb -0.15 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2vxf s LEU 38 CO 0.04 0.32 0.01 0.00 0.23 0.00 0.00 176.35 176.95 2vxf s ALA 39 N -0.59 3.19 -1.13 4.21 0.00 -1.09 -2.20 121.76 124.15 2vxf s ALA 39 Ca 0.09 -1.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 2vxf s ALA 39 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2vxf s ALA 39 CO 0.00 0.14 0.81 1.63 0.00 0.00 0.00 175.76 178.34 2vxf n LYS 40 N -0.94 -1.60 -4.53 0.00 4.76 -0.82 -2.61 118.16 112.43 2vxf n LYS 40 Ca -0.05 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 55.65 2vxf n LYS 40 Cb 0.61 -4.49 -0.13 0.00 -1.84 0.00 0.00 35.03 29.18 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2vxf s VAL 41 N -3.47 2.06 0.04 -0.18 0.11 -1.01 -4.16 120.40 113.79 2vxf s VAL 41 Ca 0.44 -1.56 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 2vxf s VAL 41 Cb -0.14 -1.81 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 2vxf s VAL 41 CO 0.84 0.14 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.55 2vxf s ARG 42 N -1.73 0.50 -0.15 1.54 0.52 -0.61 -2.14 118.95 116.88 2vxf s ARG 42 Ca 0.11 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 2vxf s ARG 42 Cb -0.10 -0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 2vxf s ARG 42 CO 0.04 0.04 0.25 -1.54 0.02 0.00 0.00 175.30 174.11 2vxf s SER 43 N -1.50 6.41 0.09 0.23 1.04 -1.26 -2.21 113.70 116.50 2vxf s SER 43 Ca -0.10 0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 2vxf s SER 43 Cb -0.10 -2.16 -0.17 0.00 0.10 0.00 0.00 66.02 63.70 2vxf s SER 43 CO 0.00 0.16 1.28 -0.26 0.98 0.00 0.00 173.24 175.40 2vxf h PHE 44 N 6.37 1.04 0.00 5.02 0.04 -1.87 -3.45 116.94 124.09 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 0.77 0.31 0.25 -1.45 0.00 -1.26 -4.94 105.19 98.87 2vxf n GLY 45 Ca -0.08 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 0.61 0.25 2.61 -2.24 -1.26 -4.31 114.28 109.31 2vxf n THR 46 Ca 0.00 -0.80 0.10 0.00 -2.27 0.00 0.00 64.05 61.07 2vxf n THR 46 Cb 0.00 0.74 0.65 0.00 -2.10 0.00 0.00 70.33 69.61 2vxf n THR 46 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2vxf h GLU 47 N 0.92 0.00 -0.55 -0.78 5.08 -1.94 -2.54 114.58 114.77 2vxf h GLU 47 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vxf h GLU 47 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2vxf h GLU 47 CO 0.00 0.14 0.33 0.22 -1.00 0.00 0.00 179.01 178.70 2vxf h ASP 48 N 0.00 0.65 -2.46 1.42 3.58 -1.88 -3.36 116.42 114.37 2vxf h ASP 48 Ca -0.00 -0.03 -0.48 0.00 0.42 0.00 0.00 57.03 56.94 2vxf h ASP 48 Cb 0.31 -0.16 -0.37 0.00 1.72 0.00 0.00 39.33 40.83 2vxf h ASP 48 CO 0.02 0.50 -0.76 -0.13 -2.88 0.00 0.00 179.24 175.99 2vxf s ARG 49 N -5.57 0.41 0.43 0.28 1.81 -0.96 -5.13 118.95 110.21 2vxf s ARG 49 Ca -0.09 -0.77 -0.26 0.00 -1.72 0.00 0.00 55.73 52.89 2vxf s ARG 49 Cb 0.17 -1.03 -0.08 0.00 -0.45 0.00 0.00 34.95 33.56 2vxf s ARG 49 CO 0.76 -1.11 1.36 -1.25 -0.68 0.00 0.00 175.30 174.37 2vxf s PRO 50 N 1.70 3.82 0.32 3.54 0.04 -1.23 -4.94 135.00 138.25 2vxf s PRO 50 Ca 0.13 2.27 0.08 0.00 0.04 0.00 0.00 61.00 63.53 2vxf s PRO 50 Cb -0.18 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 2vxf s PRO 50 CO -0.18 -0.65 -0.08 0.95 0.04 0.00 0.00 177.00 177.08 2vxf s THR 51 N -1.24 2.01 -1.78 1.26 -4.23 -1.26 -5.02 115.64 105.38 2vxf s THR 51 Ca 0.59 -2.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.21 2vxf s THR 51 Cb -0.41 -2.59 0.68 0.00 1.34 0.00 0.00 72.50 71.52 2vxf s THR 51 CO 0.52 -0.23 1.99 -0.67 -0.54 0.00 0.00 174.62 175.70 2vxf n ASP 52 N -0.72 0.00 -4.46 3.99 2.03 -1.26 -4.73 116.55 111.40 2vxf n ASP 52 Ca -0.05 -0.58 -0.33 0.00 0.52 0.00 0.00 54.79 54.35 2vxf n ASP 52 Cb 0.64 -0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.79 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2vxf s ARG 53 N -2.22 2.87 0.38 -0.67 6.06 -1.26 -5.10 118.95 119.01 2vxf s ARG 53 Ca 0.36 -0.66 -0.26 0.00 -2.50 0.00 0.00 55.73 52.67 2vxf s ARG 53 Cb 0.19 -2.52 -0.09 0.00 0.06 0.00 0.00 34.95 32.60 2vxf s ARG 53 CO 0.36 0.49 1.21 -1.25 -2.50 0.00 0.00 175.30 173.61 2vxf s PRO 54 N -0.36 4.12 0.05 5.12 0.04 -1.26 -5.04 135.00 137.66 2vxf s PRO 54 Ca 0.04 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.09 2vxf s PRO 54 Cb -0.12 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 2vxf s PRO 54 CO 0.02 -0.30 -0.13 0.42 0.04 0.00 0.00 177.00 177.05 2vxf s ILE 55 N -1.33 3.13 0.82 0.56 -1.09 -1.26 -5.11 121.20 116.92 2vxf s ILE 55 Ca 0.55 -1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 2vxf s ILE 55 Cb -0.33 -2.37 0.09 0.00 -1.58 0.00 0.00 42.46 38.27 2vxf s ILE 55 CO 0.43 0.30 1.15 0.00 -1.23 0.00 0.00 174.94 175.59 2vxf s ALA 56 N -1.01 1.87 1.06 9.38 0.00 -1.26 -4.97 121.76 126.83 2vxf s ALA 56 Ca 0.17 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 2vxf s ALA 56 Cb -0.11 -3.41 0.22 0.00 0.00 0.00 0.00 23.12 19.82 2vxf s ALA 56 CO 0.08 -2.24 1.01 -2.30 0.00 0.00 0.00 175.76 172.31 2vxf n PRO 57 N -3.58 -1.56 -1.14 0.00 -0.02 -1.26 -4.94 135.00 122.50 2vxf n PRO 57 Ca 0.12 -0.41 -0.17 0.00 -2.02 0.00 0.00 63.50 61.01 2vxf n PRO 57 Cb 0.52 -2.23 0.16 0.00 -0.02 0.00 0.00 33.50 31.93 2vxf n PRO 57 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2vxf n ARG 58 N -4.47 2.25 -1.13 -0.52 1.85 -1.26 -4.57 116.66 108.81 2vxf n ARG 58 Ca 0.07 -3.24 -0.19 0.00 -1.00 0.00 0.00 57.85 53.49 2vxf n ARG 58 Cb 0.53 -2.05 0.17 0.00 -1.05 0.00 0.00 32.46 30.07 2vxf n ARG 58 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2vxf n ASP 59 N -1.07 3.72 -3.93 2.89 2.03 -1.26 -4.93 116.55 113.99 2vxf n ASP 59 Ca 0.48 -3.69 -0.10 0.00 0.52 0.00 0.00 54.79 52.00 2vxf n ASP 59 Cb 1.19 -0.78 -0.10 0.00 -0.72 0.00 0.00 41.12 40.71 2vxf n ASP 59 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2vxf s GLU 60 N -3.34 0.47 -0.04 -0.67 2.12 -1.26 -5.16 118.70 110.81 2vxf s GLU 60 Ca 0.54 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2vxf s GLU 60 Cb 0.46 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 35.00 2vxf s GLU 60 CO 0.06 -0.10 -0.06 0.99 -0.54 0.00 0.00 175.26 175.60 2vxf s THR 61 N -1.92 3.71 -0.21 -1.70 2.01 -1.26 -4.77 115.64 111.51 2vxf s THR 61 Ca -0.11 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2vxf s THR 61 Cb -0.06 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2vxf s THR 61 CO -0.02 0.52 0.10 -0.36 -0.69 0.00 0.00 174.62 174.18 2vxf s PHE 62 N -0.89 3.29 0.11 4.92 0.08 -0.91 -4.99 117.98 119.60 2vxf s PHE 62 Ca 0.14 0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.19 2vxf s PHE 62 Cb -0.11 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2vxf s PHE 62 CO 0.04 0.13 1.49 0.93 -0.10 0.00 0.00 175.22 177.71 2vxf h GLU 63 N 7.00 0.72 -2.64 0.44 5.08 -1.94 -2.66 114.58 120.58 2vxf h GLU 63 Ca -0.38 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.54 2vxf h GLU 63 Cb 1.16 -0.02 -0.29 0.00 0.50 0.00 0.00 28.75 30.10 2vxf h GLU 63 CO 0.70 0.91 -0.40 -0.47 -1.00 0.00 0.00 179.01 178.74 2vxf s TYR 64 N -4.64 -0.65 0.05 4.33 6.14 -1.26 -1.94 117.35 119.37 2vxf s TYR 64 Ca -0.13 1.32 0.05 0.00 0.64 0.00 0.00 57.07 58.95 2vxf s TYR 64 Cb 0.09 0.20 -0.02 0.00 0.42 0.00 0.00 41.96 42.65 2vxf s TYR 64 CO 0.82 -0.42 -0.13 0.42 0.64 0.00 0.00 175.55 176.87 2vxf s ILE 65 N 2.32 1.06 -0.10 3.14 1.01 -0.93 -5.03 121.20 122.67 2vxf s ILE 65 Ca -0.02 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.50 2vxf s ILE 65 Cb -0.11 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2vxf s ILE 65 CO -0.11 -0.12 -0.07 -0.63 0.00 0.00 0.00 174.94 174.01 2vxf s ILE 66 N -1.05 3.66 0.02 2.92 1.01 -1.26 -2.26 121.20 124.23 2vxf s ILE 66 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.23 2vxf s ILE 66 Cb -0.09 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2vxf s ILE 66 CO 0.02 0.56 -0.19 -0.36 0.00 0.00 0.00 174.94 174.97 2vxf s PHE 67 N -0.35 1.64 0.12 3.97 0.08 -0.95 -5.04 117.98 117.45 2vxf s PHE 67 Ca 0.05 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.81 2vxf s PHE 67 Cb -0.12 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2vxf s PHE 67 CO 0.02 0.03 0.06 1.03 -0.10 0.00 0.00 175.22 176.26 2vxf s ARG 68 N -0.81 2.71 0.58 0.44 0.52 -1.26 -2.22 118.95 118.92 2vxf s ARG 68 Ca 0.06 -0.85 0.28 0.00 -0.52 0.00 0.00 55.73 54.70 2vxf s ARG 68 Cb -0.08 -2.59 1.64 0.00 0.52 0.00 0.00 34.95 34.44 2vxf s ARG 68 CO 0.01 0.52 2.11 0.78 0.02 0.00 0.00 175.30 178.73 2vxf h GLY 69 N 2.98 0.00 0.88 -3.53 0.00 -1.80 -2.08 103.07 99.52 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 0.62 0.00 0.03 1.76 0.00 0.00 0.00 176.54 178.95 2vxf h SER 70 N 0.00 0.48 0.79 0.19 0.02 -1.94 -3.21 113.55 109.88 2vxf h SER 70 Ca 0.08 -0.28 -0.25 0.00 -0.84 0.00 0.00 61.79 60.51 2vxf h SER 70 Cb 0.45 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2vxf h SER 70 CO -0.00 0.64 -1.21 -2.24 -1.14 0.00 0.00 176.83 172.88 2vxf h ASP 71 N 0.31 0.12 -3.69 3.07 3.04 -1.84 -3.46 116.42 113.97 2vxf h ASP 71 Ca 0.09 -0.15 -0.52 0.00 -3.24 0.00 0.00 57.03 53.21 2vxf h ASP 71 Cb 0.37 -0.04 0.06 0.00 -1.04 0.00 0.00 39.33 38.68 2vxf h ASP 71 CO 0.01 1.12 0.67 -0.63 -2.04 0.00 0.00 179.24 178.37 2vxf s ILE 72 N -2.67 2.74 -0.19 4.15 1.01 -0.83 -0.07 121.20 125.34 2vxf s ILE 72 Ca -0.02 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.34 2vxf s ILE 72 Cb 0.09 -3.44 -0.12 0.00 0.01 0.00 0.00 42.46 38.99 2vxf s ILE 72 CO 0.84 0.14 -0.17 1.17 0.00 0.00 0.00 174.94 176.92 2vxf n LYS 73 N 1.41 0.48 -3.85 2.79 4.81 0.23 -4.81 118.16 119.20 2vxf n LYS 73 Ca 0.02 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.46 2vxf n LYS 73 Cb 0.41 -1.38 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 2vxf n LYS 73 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2vxf s ASP 74 N -5.86 -0.06 -0.08 3.14 -1.08 -1.12 -5.02 116.67 106.59 2vxf s ASP 74 Ca -0.26 0.08 0.02 0.00 -0.52 0.00 0.00 52.55 51.87 2vxf s ASP 74 Cb 0.07 0.22 0.02 0.00 -1.46 0.00 0.00 42.92 41.76 2vxf s ASP 74 CO 0.44 -0.13 -0.12 -0.22 0.52 0.00 0.00 175.17 175.67 2vxf s LEU 75 N -0.36 1.55 -0.01 -1.34 0.20 -1.26 -1.74 118.68 115.73 2vxf s LEU 75 Ca -0.04 -0.32 0.03 0.00 0.69 0.00 0.00 54.13 54.49 2vxf s LEU 75 Cb -0.03 -0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 44.86 2vxf s LEU 75 CO 0.00 -0.00 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.06 2vxf s THR 76 N 0.94 0.84 -0.04 3.68 2.01 -0.98 -5.05 115.64 117.04 2vxf s THR 76 Ca -0.09 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2vxf s THR 76 Cb -0.15 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2vxf s THR 76 CO 0.00 0.24 0.13 -0.69 -0.69 0.00 0.00 174.62 173.61 2vxf s VAL 77 N -0.24 5.16 -0.17 3.82 1.01 -1.26 -1.87 120.40 126.85 2vxf s VAL 77 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2vxf s VAL 77 Cb -0.04 -3.34 -0.22 0.00 0.00 0.00 0.00 36.38 32.77 2vxf s VAL 77 CO -0.00 0.42 0.15 0.00 0.00 0.00 0.00 175.10 175.66 2vxf s GLU 79 N -2.54 3.18 0.40 0.00 2.02 -1.26 -5.06 118.70 115.45 2vxf s GLU 79 Ca -0.23 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 2vxf s GLU 79 Cb 0.08 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 2vxf s GLU 79 CO 0.72 -0.31 1.07 -1.25 0.02 0.00 0.00 175.26 175.52 2vxf s PRO 80 N 1.45 4.12 0.61 0.39 0.04 -1.26 -4.86 135.00 135.50 2vxf s PRO 80 Ca 0.04 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 2vxf s PRO 80 Cb -0.16 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 2vxf s PRO 80 CO -0.02 -0.19 1.10 -1.25 0.04 0.00 0.00 177.00 176.68 2vxf s PRO 81 N -2.48 3.09 0.18 0.56 0.04 -1.26 -5.05 135.00 130.08 2vxf s PRO 81 Ca 0.58 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2vxf s PRO 81 Cb -0.24 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2vxf s PRO 81 CO 0.30 -1.02 0.34 0.15 0.04 0.00 0.00 177.00 176.81 2vxf s LYS 82 N -3.90 3.48 0.55 4.56 -0.14 -1.26 -5.04 119.74 117.99 2vxf s LYS 82 Ca 0.67 -0.45 -0.20 0.00 -1.36 0.00 0.00 55.97 54.63 2vxf s LYS 82 Cb -0.20 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.00 2vxf s LYS 82 CO 0.37 0.45 1.16 -1.25 -0.76 0.00 0.00 175.35 175.32 2vxf s PRO 83 N -3.28 3.29 -0.09 -1.68 0.04 -1.26 -4.92 135.00 127.10 2vxf s PRO 83 Ca 0.37 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2vxf s PRO 83 Cb -0.11 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2vxf s PRO 83 CO 0.29 -0.92 -0.15 0.42 0.04 0.00 0.00 177.00 176.69 2vxf s ILE 84 N -1.68 2.98 0.00 0.56 1.09 -1.26 -5.19 121.20 117.69 2vxf s ILE 84 Ca 0.73 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 2vxf s ILE 84 Cb -0.27 -2.20 0.00 0.00 -1.06 0.00 0.00 42.46 38.94 2vxf s ILE 84 CO 0.30 0.56 0.31 0.23 -0.10 0.00 0.00 174.94 176.24