#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxf h GLU -1 N 0.00 0.06 -7.08 3.23 5.08 -1.99 -3.30 114.58 110.58 2vxf h GLU -1 Ca 0.00 -0.02 -0.47 0.00 -1.00 0.00 0.00 59.36 57.87 2vxf h GLU -1 Cb 0.00 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.27 2vxf h GLU -1 CO 0.00 0.36 0.39 -0.51 -1.00 0.00 0.00 179.01 178.25 2vxf s ASP 0 N -6.94 6.33 0.17 1.42 1.01 -1.26 -4.86 116.67 112.53 2vxf s ASP 0 Ca -0.04 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 55.05 2vxf s ASP 0 Cb 0.15 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.56 2vxf s ASP 0 CO 0.73 -0.79 1.63 1.55 0.21 0.00 0.00 175.17 178.49 2vxf h PRO 1 N 1.54 0.98 -0.17 8.23 0.13 -1.95 0.49 132.00 141.24 2vxf h PRO 1 Ca -0.49 -0.31 -0.12 0.00 -0.87 0.00 0.00 66.00 64.21 2vxf h PRO 1 Cb 1.22 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2vxf h PRO 1 CO 0.59 0.98 -0.41 0.66 -0.23 0.00 0.00 178.00 179.59 2vxf h SER 2 N 0.87 0.42 0.87 1.44 4.64 -1.93 -2.92 113.55 116.93 2vxf h SER 2 Ca 0.16 -0.18 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 2vxf h SER 2 Cb 0.53 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2vxf h SER 2 CO 0.03 0.78 -1.00 1.23 -0.87 0.00 0.00 176.83 177.00 2vxf h GLY 3 N 1.15 0.07 1.19 -0.77 0.00 -1.82 -3.29 103.07 99.60 2vxf h GLY 3 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2vxf h GLY 3 CO 0.07 0.14 0.24 -1.33 0.00 0.00 0.00 176.54 175.67 2vxf h GLY 4 N 2.57 1.10 -6.55 4.60 0.00 0.15 -3.28 103.07 101.66 2vxf h GLY 4 Ca -0.03 -0.60 -0.65 0.00 0.00 0.00 0.00 47.33 46.04 2vxf h GLY 4 CO 0.14 0.57 -0.71 -1.59 0.00 0.00 0.00 176.54 174.94 2vxf s THR 5 N -5.41 3.49 0.47 4.70 2.01 -1.12 -4.59 115.64 115.19 2vxf s THR 5 Ca -0.11 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2vxf s THR 5 Cb 0.16 -2.57 -0.08 0.00 0.01 0.00 0.00 72.50 70.02 2vxf s THR 5 CO 0.82 0.44 1.06 -2.16 -0.69 0.00 0.00 174.62 174.09 2vxf s PRO 6 N 1.17 3.81 0.35 4.92 0.04 -1.26 -4.81 135.00 139.23 2vxf s PRO 6 Ca 0.02 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.60 2vxf s PRO 6 Cb -0.14 -2.19 0.67 0.00 0.04 0.00 0.00 34.50 32.88 2vxf s PRO 6 CO -0.01 -0.44 1.83 1.88 0.04 0.00 0.00 177.00 180.31 2vxf h TYR 7 N 1.72 0.23 -3.64 0.56 -1.99 -1.97 -3.44 116.97 108.44 2vxf h TYR 7 Ca -0.49 -0.04 -0.53 0.00 2.00 0.00 0.00 58.73 59.67 2vxf h TYR 7 Cb 1.23 -0.06 0.07 0.00 2.00 0.00 0.00 36.73 39.97 2vxf h TYR 7 CO 0.56 0.45 0.74 0.42 -0.00 0.00 0.00 178.16 180.34 2vxf s ILE 8 N -4.47 2.47 0.00 -2.88 1.01 -1.26 -2.23 121.20 113.84 2vxf s ILE 8 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2vxf s ILE 8 Cb 0.15 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2vxf s ILE 8 CO 0.74 0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2vxf n GLY 9 N 1.42 0.54 3.92 6.18 0.00 -0.68 -5.01 105.19 111.56 2vxf n GLY 9 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 6.41 -0.01 1.61 0.01 -0.95 -4.87 113.70 113.07 2vxf s SER 10 Ca 0.00 0.48 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 2vxf s SER 10 Cb 0.00 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 2vxf s SER 10 CO 0.00 -0.05 0.67 -0.75 0.41 0.00 0.00 173.24 173.52 2vxf s LYS 11 N -3.26 4.41 0.05 12.44 2.20 -1.26 -1.85 119.74 132.46 2vxf s LYS 11 Ca 0.40 0.87 0.05 0.00 -0.36 0.00 0.00 55.97 56.93 2vxf s LYS 11 Cb -0.11 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2vxf s LYS 11 CO 0.28 0.26 -0.13 0.42 -0.36 0.00 0.00 175.35 175.82 2vxf s ILE 12 N 0.11 1.05 -0.14 5.43 1.01 -0.80 -2.51 121.20 125.35 2vxf s ILE 12 Ca 0.35 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2vxf s ILE 12 Cb -0.19 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2vxf s ILE 12 CO 0.19 -0.11 -0.07 -0.55 0.00 0.00 0.00 174.94 174.41 2vxf s SER 13 N -1.36 4.52 -0.10 3.58 0.15 -0.75 -2.75 113.70 117.00 2vxf s SER 13 Ca -0.01 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.49 2vxf s SER 13 Cb -0.09 -1.71 -0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2vxf s SER 13 CO 0.02 0.17 -0.24 -0.22 1.20 0.00 0.00 173.24 174.17 2vxf s LEU 14 N 0.33 2.11 -0.24 3.45 2.96 -0.42 -2.31 118.68 124.56 2vxf s LEU 14 Ca -0.06 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 2vxf s LEU 14 Cb -0.15 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2vxf s LEU 14 CO 0.04 0.17 0.01 -0.63 -1.32 0.00 0.00 176.35 174.62 2vxf s ILE 15 N 0.28 3.73 0.58 6.68 1.01 -0.72 -1.78 121.20 130.99 2vxf s ILE 15 Ca -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2vxf s ILE 15 Cb -0.17 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.59 2vxf s ILE 15 CO 0.08 0.35 0.82 -0.44 0.00 0.00 0.00 174.94 175.76 2vxf s SER 16 N 1.52 5.15 0.50 3.58 0.01 -1.07 -1.45 113.70 121.94 2vxf s SER 16 Ca 0.06 0.01 0.34 0.00 1.31 0.00 0.00 55.95 57.66 2vxf s SER 16 Cb -0.15 -0.83 1.81 0.00 0.21 0.00 0.00 66.02 67.07 2vxf s SER 16 CO -0.00 -1.25 2.03 0.50 0.41 0.00 0.00 173.24 174.92 2vxf h LYS 17 N -0.06 0.00 -0.59 12.44 3.64 -1.73 -1.59 116.57 128.69 2vxf h LYS 17 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2vxf h LYS 17 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2vxf h LYS 17 CO 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 2vxf n ALA 18 N -1.94 2.83 -2.36 5.00 0.00 -1.26 -4.88 120.51 117.90 2vxf n ALA 18 Ca -0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 2vxf n ALA 18 Cb 0.07 -1.02 -0.01 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 -1.83 -4.11 0.00 1.02 -0.60 -4.32 120.64 111.21 2vxf n GLU 19 Ca 0.13 0.89 -0.33 0.00 -0.02 0.00 0.00 57.16 57.82 2vxf n GLU 19 Cb 0.51 -5.52 -0.07 0.00 -0.02 0.00 0.00 31.44 26.34 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 -2.88 4.72 -0.25 -3.67 1.01 -1.26 -4.61 121.20 114.26 2vxf s ILE 20 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 2vxf s ILE 20 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2vxf s ILE 20 CO 0.00 0.38 0.08 -0.60 0.00 0.00 0.00 174.94 174.80 2vxf s ARG 21 N -1.66 3.66 -0.08 2.79 3.52 -1.26 -2.60 118.95 123.32 2vxf s ARG 21 Ca 0.22 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 2vxf s ARG 21 Cb -0.12 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2vxf s ARG 21 CO 0.13 -0.20 -0.10 0.71 -0.81 0.00 0.00 175.30 175.03 2vxf s TYR 22 N 1.62 2.86 -0.01 5.12 2.02 -0.73 -2.42 117.35 125.81 2vxf s TYR 22 Ca 0.06 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.68 2vxf s TYR 22 Cb -0.15 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2vxf s TYR 22 CO 0.04 0.17 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.95 2vxf s GLU 23 N -0.49 1.93 0.19 -0.62 2.12 -0.97 -1.30 118.70 119.57 2vxf s GLU 23 Ca 0.07 -0.89 -0.18 0.00 0.36 0.00 0.00 54.97 54.33 2vxf s GLU 23 Cb -0.12 -1.89 0.07 0.00 0.26 0.00 0.00 34.13 32.45 2vxf s GLU 23 CO 0.02 0.52 0.90 0.41 -0.54 0.00 0.00 175.26 176.56 2vxf n GLY 24 N 2.41 0.73 3.68 -1.50 0.00 -1.11 -1.47 105.19 107.93 2vxf n GLY 24 Ca -0.16 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.12 4.21 -0.22 -0.61 -1.09 -1.09 -1.90 121.20 118.38 2vxf s ILE 25 Ca 0.20 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2vxf s ILE 25 Cb -0.03 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2vxf s ILE 25 CO 0.06 0.49 1.89 -0.22 -1.23 0.00 0.00 174.94 175.93 2vxf s LEU 26 N -1.22 3.70 -0.23 2.97 2.96 -0.77 -2.77 118.68 123.32 2vxf s LEU 26 Ca 0.16 1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 55.64 2vxf s LEU 26 Cb -0.11 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 2vxf s LEU 26 CO 0.06 -1.58 -0.17 0.00 -1.32 0.00 0.00 176.35 173.34 2vxf n TYR 27 N 9.87 0.39 -3.84 5.38 9.36 -1.09 -1.68 117.16 135.55 2vxf n TYR 27 Ca 0.23 0.17 -0.12 0.00 3.32 0.00 0.00 57.90 61.51 2vxf n TYR 27 Cb 0.45 -0.95 -0.12 0.00 -0.63 0.00 0.00 39.34 38.09 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 -2.49 0.03 -0.15 2.97 -4.23 -1.11 -4.86 115.64 105.80 2vxf s THR 28 Ca -0.33 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2vxf s THR 28 Cb 0.10 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.67 2vxf s THR 28 CO 0.49 -0.13 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.64 2vxf s ILE 29 N -0.41 2.56 -0.50 2.99 1.01 -1.26 -2.15 121.20 123.43 2vxf s ILE 29 Ca -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 2vxf s ILE 29 Cb -0.03 -2.07 0.13 0.00 0.01 0.00 0.00 42.46 40.50 2vxf s ILE 29 CO 0.01 0.52 0.32 -0.62 0.00 0.00 0.00 174.94 175.17 2vxf s ASP 30 N 0.74 5.31 0.19 3.58 -1.08 -0.80 -4.95 116.67 119.67 2vxf s ASP 30 Ca -0.07 -2.35 -0.04 0.00 -0.52 0.00 0.00 52.55 49.57 2vxf s ASP 30 Cb -0.16 -1.86 0.12 0.00 -1.46 0.00 0.00 42.92 39.57 2vxf s ASP 30 CO 0.01 -0.49 1.53 0.74 0.52 0.00 0.00 175.17 177.48 2vxf h THR 31 N 5.90 1.30 -0.10 1.71 2.02 -1.98 -2.43 112.91 119.34 2vxf h THR 31 Ca -0.09 -1.67 0.03 0.00 0.77 0.00 0.00 66.41 65.45 2vxf h THR 31 Cb 1.01 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2vxf h THR 31 CO 0.72 0.53 0.08 -0.08 0.37 0.00 0.00 175.52 177.13 2vxf h GLU 32 N 0.50 0.00 -0.13 6.66 4.57 -1.94 -2.01 114.58 122.23 2vxf h GLU 32 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2vxf h GLU 32 Cb 1.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2vxf h GLU 32 CO 0.09 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.01 2vxf n ASN 33 N -4.36 2.63 -3.93 1.04 3.02 -1.22 -4.99 115.26 107.46 2vxf n ASN 33 Ca -0.01 -2.42 -0.27 0.00 -0.03 0.00 0.00 54.58 51.85 2vxf n ASN 33 Cb 0.19 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2vxf n ASN 33 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2vxf n SER 34 N -0.46 -1.51 -4.15 6.41 2.88 -0.76 -4.89 113.62 111.14 2vxf n SER 34 Ca 0.10 -0.94 -0.18 0.00 -1.33 0.00 0.00 58.87 56.53 2vxf n SER 34 Cb 0.49 -3.34 -0.12 0.00 -0.75 0.00 0.00 64.21 60.49 2vxf n SER 34 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2vxf s THR 35 N -3.72 1.02 -0.01 2.46 -4.23 -0.92 -2.40 115.64 107.85 2vxf s THR 35 Ca 0.20 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2vxf s THR 35 Cb -0.10 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 2vxf s THR 35 CO 0.87 -0.23 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.93 2vxf s VAL 36 N -1.24 0.78 -0.14 2.29 1.01 -0.93 -1.90 120.40 120.26 2vxf s VAL 36 Ca -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2vxf s VAL 36 Cb -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2vxf s VAL 36 CO 0.02 0.21 -0.11 0.00 0.00 0.00 0.00 175.10 175.22 2vxf s ALA 37 N -0.26 2.70 -0.04 5.51 0.00 -0.92 -2.26 121.76 126.49 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 -0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2vxf s ALA 37 CO -0.00 0.19 -0.20 -0.51 0.00 0.00 0.00 175.76 175.24 2vxf s LEU 38 N 0.44 2.42 0.35 0.00 1.43 -0.96 -2.66 118.68 119.69 2vxf s LEU 38 Ca -0.08 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2vxf s LEU 38 Cb -0.15 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 2vxf s LEU 38 CO 0.04 0.31 0.01 0.00 0.23 0.00 0.00 176.35 176.95 2vxf s ALA 39 N -0.56 3.20 -1.09 4.21 0.00 -1.11 -2.17 121.76 124.24 2vxf s ALA 39 Ca 0.08 -2.00 -0.16 0.00 0.00 0.00 0.00 51.96 49.88 2vxf s ALA 39 Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2vxf s ALA 39 CO 0.01 0.05 0.81 1.17 0.00 0.00 0.00 175.76 177.79 2vxf n LYS 40 N -0.95 -1.41 -4.82 0.00 3.00 -0.98 -2.68 118.16 110.32 2vxf n LYS 40 Ca -0.04 0.60 -0.30 0.00 -0.00 0.00 0.00 58.31 58.57 2vxf n LYS 40 Cb 0.63 -4.44 -0.14 0.00 0.00 0.00 0.00 35.03 31.07 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2vxf s VAL 41 N -3.40 2.16 0.10 3.15 0.11 -0.99 -4.15 120.40 117.38 2vxf s VAL 41 Ca 0.43 -1.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.10 2vxf s VAL 41 Cb -0.14 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 2vxf s VAL 41 CO 0.84 0.32 -0.18 -0.13 -3.33 0.00 0.00 175.10 172.62 2vxf s ARG 42 N -1.37 1.03 -0.19 1.54 0.52 -0.54 -2.11 118.95 117.82 2vxf s ARG 42 Ca 0.12 -1.13 -0.08 0.00 -0.52 0.00 0.00 55.73 54.12 2vxf s ARG 42 Cb -0.10 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.18 2vxf s ARG 42 CO 0.03 0.26 0.09 -1.54 0.02 0.00 0.00 175.30 174.15 2vxf s SER 43 N -1.98 5.83 0.12 0.23 1.04 -1.26 -2.28 113.70 115.40 2vxf s SER 43 Ca 0.05 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 2vxf s SER 43 Cb -0.09 -2.01 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 2vxf s SER 43 CO 0.04 0.17 1.39 -0.26 0.98 0.00 0.00 173.24 175.56 2vxf h PHE 44 N 6.73 1.11 0.00 5.02 0.04 -1.88 -3.48 116.94 124.48 2vxf h PHE 44 Ca -0.38 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 59.98 2vxf h PHE 44 Cb 1.16 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2vxf h PHE 44 CO 0.57 1.25 0.00 0.41 -0.60 0.00 0.00 178.31 179.94 2vxf n GLY 45 N 0.42 1.66 0.12 -1.45 0.00 -1.26 -5.02 105.19 99.65 2vxf n GLY 45 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.61 0.63 0.21 2.61 -2.24 -1.26 -4.27 114.28 109.34 2vxf n THR 46 Ca 0.00 -0.81 0.18 0.00 -2.27 0.00 0.00 64.05 61.15 2vxf n THR 46 Cb 0.00 0.70 0.83 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.43 0.00 -0.25 -0.78 5.08 -1.95 0.13 114.58 117.24 2vxf h GLU 47 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2vxf h GLU 47 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2vxf h GLU 47 CO 0.00 0.00 0.03 0.22 -1.00 0.00 0.00 179.01 178.26 2vxf h ASP 48 N 0.00 0.32 -2.95 1.42 -0.00 -1.85 -3.36 116.42 109.99 2vxf h ASP 48 Ca 0.10 -0.04 -0.58 0.00 -0.00 0.00 0.00 57.03 56.51 2vxf h ASP 48 Cb 0.67 -0.08 -0.40 0.00 -0.00 0.00 0.00 39.33 39.52 2vxf h ASP 48 CO -0.00 0.36 -0.79 -0.13 -0.00 0.00 0.00 179.24 178.68 2vxf s ARG 49 N -5.03 0.67 0.29 0.28 1.81 0.46 -5.01 118.95 112.41 2vxf s ARG 49 Ca -0.07 -1.25 -0.30 0.00 -1.72 0.00 0.00 55.73 52.39 2vxf s ARG 49 Cb 0.16 -1.64 -0.11 0.00 -0.45 0.00 0.00 34.95 32.91 2vxf s ARG 49 CO 0.73 -1.11 1.58 -2.14 -0.68 0.00 0.00 175.30 173.68 2vxf s PRO 50 N 1.25 4.14 0.24 3.54 0.02 -1.25 -4.94 135.00 137.99 2vxf s PRO 50 Ca 0.14 2.55 0.04 0.00 0.02 0.00 0.00 61.00 63.75 2vxf s PRO 50 Cb -0.21 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2vxf s PRO 50 CO -0.13 -0.61 -0.02 0.95 -0.33 0.00 0.00 177.00 176.86 2vxf s THR 51 N 0.03 1.20 -1.71 0.99 -4.23 -1.26 -5.03 115.64 105.63 2vxf s THR 51 Ca 0.63 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 59.36 2vxf s THR 51 Cb -0.47 -2.34 0.64 0.00 1.34 0.00 0.00 72.50 71.67 2vxf s THR 51 CO 0.47 -0.35 1.99 0.47 -0.54 0.00 0.00 174.62 176.66 2vxf n ASP 52 N -0.45 0.00 -4.25 3.99 8.00 -1.26 -4.59 116.55 117.99 2vxf n ASP 52 Ca -0.05 -0.49 -0.38 0.00 0.71 0.00 0.00 54.79 54.57 2vxf n ASP 52 Cb 0.64 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2vxf s ARG 53 N -2.29 2.54 0.36 -1.24 0.52 -1.26 -5.08 118.95 112.50 2vxf s ARG 53 Ca 0.34 -1.35 -0.28 0.00 -0.52 0.00 0.00 55.73 53.91 2vxf s ARG 53 Cb 0.19 -3.58 -0.11 0.00 0.52 0.00 0.00 34.95 31.97 2vxf s ARG 53 CO 0.37 -0.81 1.46 -2.14 0.02 0.00 0.00 175.30 174.20 2vxf s PRO 54 N 1.38 4.16 0.02 3.54 0.02 -1.26 -5.00 135.00 137.86 2vxf s PRO 54 Ca 0.01 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.44 2vxf s PRO 54 Cb -0.21 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 2vxf s PRO 54 CO 0.02 -0.48 0.34 0.42 -0.33 0.00 0.00 177.00 176.96 2vxf s ILE 55 N -0.99 5.18 0.75 2.83 -1.09 -1.26 -5.08 121.20 121.54 2vxf s ILE 55 Ca 0.53 0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 59.26 2vxf s ILE 55 Cb -0.45 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 36.86 2vxf s ILE 55 CO 0.60 0.40 1.11 0.00 -1.23 0.00 0.00 174.94 175.81 2vxf s ALA 56 N -1.27 2.25 1.06 9.38 0.00 -1.26 -4.99 121.76 126.93 2vxf s ALA 56 Ca 0.28 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 2vxf s ALA 56 Cb -0.14 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 19.85 2vxf s ALA 56 CO 0.15 -1.70 0.81 -2.30 0.00 0.00 0.00 175.76 172.72 2vxf n PRO 57 N -3.19 -1.43 -0.57 0.00 -0.02 -1.26 -4.90 135.00 123.63 2vxf n PRO 57 Ca 0.10 -0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 2vxf n PRO 57 Cb 0.52 -2.12 0.26 0.00 -0.02 0.00 0.00 33.50 32.15 2vxf n PRO 57 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vxf n ARG 58 N -3.85 3.47 0.03 -0.52 1.74 -1.26 -4.17 116.66 112.10 2vxf n ARG 58 Ca 0.06 -2.00 -0.06 0.00 -0.77 0.00 0.00 57.85 55.08 2vxf n ARG 58 Cb 0.55 -1.99 0.13 0.00 -1.02 0.00 0.00 32.46 30.13 2vxf n ARG 58 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2vxf h ASP 59 N 2.52 0.46 -3.07 0.55 3.58 -2.00 -3.44 116.42 115.02 2vxf h ASP 59 Ca 0.00 -0.21 -0.63 0.00 0.42 0.00 0.00 57.03 56.60 2vxf h ASP 59 Cb 1.44 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 42.29 2vxf h ASP 59 CO 0.32 0.85 -0.56 -0.70 -2.88 0.00 0.00 179.24 176.26 2vxf s GLU 60 N -4.12 3.10 0.31 0.28 2.12 -1.26 -5.12 118.70 114.01 2vxf s GLU 60 Ca -0.06 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 54.76 2vxf s GLU 60 Cb 0.12 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 2vxf s GLU 60 CO 0.81 0.59 0.26 0.99 -0.54 0.00 0.00 175.26 177.37 2vxf s THR 61 N -1.41 3.86 -0.22 -1.70 2.01 -1.26 -4.98 115.64 111.94 2vxf s THR 61 Ca 0.31 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 2vxf s THR 61 Cb -0.12 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2vxf s THR 61 CO 0.23 -0.24 0.31 -0.36 -0.69 0.00 0.00 174.62 173.88 2vxf s PHE 62 N -2.24 3.35 0.15 4.92 0.08 -0.90 -4.98 117.98 118.36 2vxf s PHE 62 Ca 0.38 0.47 -0.12 0.00 0.12 0.00 0.00 56.93 57.79 2vxf s PHE 62 Cb -0.07 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 2vxf s PHE 62 CO 0.26 0.02 1.56 1.05 -0.10 0.00 0.00 175.22 178.01 2vxf h GLU 63 N 7.41 0.92 -2.35 0.44 4.11 -1.94 -2.63 114.58 120.54 2vxf h GLU 63 Ca -0.37 -0.36 -0.04 0.00 0.07 0.00 0.00 59.36 58.66 2vxf h GLU 63 Cb 1.16 -0.05 -0.25 0.00 0.50 0.00 0.00 28.75 30.12 2vxf h GLU 63 CO 0.70 1.01 -0.27 -0.47 0.07 0.00 0.00 179.01 180.05 2vxf s TYR 64 N -4.78 -0.94 0.06 2.06 6.14 -1.26 -2.32 117.35 116.31 2vxf s TYR 64 Ca -0.12 1.76 0.05 0.00 0.64 0.00 0.00 57.07 59.41 2vxf s TYR 64 Cb 0.12 0.46 -0.03 0.00 0.42 0.00 0.00 41.96 42.93 2vxf s TYR 64 CO 0.85 -0.52 -0.15 0.42 0.64 0.00 0.00 175.55 176.79 2vxf s ILE 65 N 2.47 1.19 -0.09 3.14 1.01 -0.92 -5.03 121.20 122.97 2vxf s ILE 65 Ca -0.04 -1.19 -0.00 0.00 0.00 0.00 0.00 60.65 59.41 2vxf s ILE 65 Cb -0.11 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2vxf s ILE 65 CO -0.15 -0.09 -0.06 -0.63 0.00 0.00 0.00 174.94 174.01 2vxf s ILE 66 N -1.06 3.73 0.02 2.92 1.01 -1.26 -2.28 121.20 124.29 2vxf s ILE 66 Ca 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2vxf s ILE 66 Cb -0.09 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2vxf s ILE 66 CO 0.02 0.57 -0.15 -0.36 0.00 0.00 0.00 174.94 175.02 2vxf s PHE 67 N -0.45 1.29 0.11 3.97 0.08 -0.96 -5.04 117.98 116.99 2vxf s PHE 67 Ca 0.07 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.86 2vxf s PHE 67 Cb -0.12 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2vxf s PHE 67 CO 0.02 0.02 -0.00 1.03 -0.10 0.00 0.00 175.22 176.19 2vxf s ARG 68 N -0.89 2.49 0.58 0.44 0.52 -1.26 -2.19 118.95 118.64 2vxf s ARG 68 Ca 0.03 -0.92 0.28 0.00 -0.52 0.00 0.00 55.73 54.60 2vxf s ARG 68 Cb -0.07 -2.48 1.66 0.00 0.52 0.00 0.00 34.95 34.58 2vxf s ARG 68 CO 0.01 0.51 2.14 0.78 0.02 0.00 0.00 175.30 178.76 2vxf h GLY 69 N 3.23 0.00 1.07 -3.53 0.00 -1.82 -2.13 103.07 99.90 2vxf h GLY 69 Ca -0.48 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 2vxf h GLY 69 CO 0.59 0.00 -0.06 1.48 0.00 0.00 0.00 176.54 178.55 2vxf h SER 70 N 0.00 1.00 0.59 0.19 4.64 -1.95 -3.23 113.55 114.79 2vxf h SER 70 Ca 0.06 -0.33 -0.28 0.00 -0.47 0.00 0.00 61.79 60.78 2vxf h SER 70 Cb 0.35 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2vxf h SER 70 CO -0.00 1.09 -1.51 -2.24 -0.87 0.00 0.00 176.83 173.30 2vxf h ASP 71 N 0.88 0.10 -3.77 4.97 2.03 -1.82 -3.46 116.42 115.35 2vxf h ASP 71 Ca 0.15 -0.17 -0.53 0.00 -0.73 0.00 0.00 57.03 55.75 2vxf h ASP 71 Cb 0.61 -0.03 0.07 0.00 -0.83 0.00 0.00 39.33 39.15 2vxf h ASP 71 CO 0.04 1.14 0.71 -0.63 -1.03 0.00 0.00 179.24 179.47 2vxf s ILE 72 N -2.63 2.51 -0.26 4.15 1.01 -0.92 -2.02 121.20 123.04 2vxf s ILE 72 Ca -0.05 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 2vxf s ILE 72 Cb 0.08 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 39.08 2vxf s ILE 72 CO 0.83 0.11 -0.24 1.17 0.00 0.00 0.00 174.94 176.80 2vxf n LYS 73 N 1.08 0.64 -3.80 2.79 4.81 -0.53 -4.82 118.16 118.33 2vxf n LYS 73 Ca 0.02 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2vxf n LYS 73 Cb 0.41 -1.52 -0.10 0.00 0.02 0.00 0.00 35.03 33.84 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 -6.67 -0.18 -0.05 3.14 2.15 -1.11 -5.04 116.67 108.91 2vxf s ASP 74 Ca -0.35 0.23 0.01 0.00 0.43 0.00 0.00 52.55 52.87 2vxf s ASP 74 Cb 0.10 0.40 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 2vxf s ASP 74 CO 0.59 -0.26 -0.06 -0.22 -0.17 0.00 0.00 175.17 175.05 2vxf s LEU 75 N -0.63 1.43 0.02 -1.34 0.20 -1.26 -1.75 118.68 115.36 2vxf s LEU 75 Ca -0.07 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.62 2vxf s LEU 75 Cb -0.04 -0.52 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 2vxf s LEU 75 CO 0.02 -0.03 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.05 2vxf s THR 76 N 0.80 0.87 0.01 3.68 2.01 -0.98 -5.04 115.64 116.99 2vxf s THR 76 Ca -0.12 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2vxf s THR 76 Cb -0.14 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 2vxf s THR 76 CO 0.01 -0.00 0.30 -0.69 -0.69 0.00 0.00 174.62 173.55 2vxf s VAL 77 N -0.73 5.25 -0.17 3.82 1.01 -1.26 -1.80 120.40 126.51 2vxf s VAL 77 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2vxf s VAL 77 Cb -0.07 -3.58 -0.22 0.00 0.00 0.00 0.00 36.38 32.51 2vxf s VAL 77 CO 0.01 0.38 0.15 0.00 0.00 0.00 0.00 175.10 175.64 2vxf s GLU 79 N -2.54 4.04 0.75 0.00 2.12 -1.26 -5.04 118.70 116.77 2vxf s GLU 79 Ca -0.22 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 2vxf s GLU 79 Cb 0.08 -3.71 0.04 0.00 0.26 0.00 0.00 34.13 30.79 2vxf s GLU 79 CO 0.73 -0.71 1.08 -1.25 -0.54 0.00 0.00 175.26 174.58 2vxf s PRO 80 N 3.13 2.47 0.70 4.30 0.04 -1.26 -5.01 135.00 139.38 2vxf s PRO 80 Ca 0.37 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 2vxf s PRO 80 Cb -0.14 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2vxf s PRO 80 CO 0.12 -1.47 1.13 -1.25 0.04 0.00 0.00 177.00 175.56 2vxf s PRO 81 N -4.89 2.49 0.39 0.56 0.04 -1.26 -5.03 135.00 127.30 2vxf s PRO 81 Ca 0.61 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2vxf s PRO 81 Cb -0.16 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2vxf s PRO 81 CO 0.55 -1.50 0.68 0.15 0.04 0.00 0.00 177.00 176.92 2vxf s LYS 82 N -4.21 3.61 0.47 4.56 -0.14 -1.26 -5.05 119.74 117.72 2vxf s LYS 82 Ca 0.67 0.11 -0.23 0.00 -1.36 0.00 0.00 55.97 55.16 2vxf s LYS 82 Cb -0.22 -2.50 -0.07 0.00 -1.68 0.00 0.00 37.83 33.36 2vxf s LYS 82 CO 0.45 0.01 1.23 -1.25 -0.76 0.00 0.00 175.35 175.03 2vxf s PRO 83 N -4.15 3.66 0.22 -1.68 0.04 -1.26 -4.94 135.00 126.90 2vxf s PRO 83 Ca 0.46 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2vxf s PRO 83 Cb -0.10 -2.44 0.22 0.00 0.04 0.00 0.00 34.50 32.22 2vxf s PRO 83 CO 0.36 -0.68 1.57 0.82 0.04 0.00 0.00 177.00 179.12 2vxf h ILE 84 N 1.89 1.32 0.00 0.56 2.04 -2.01 -3.51 117.51 117.80 2vxf h ILE 84 Ca -0.50 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2vxf h ILE 84 Cb 1.26 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2vxf h ILE 84 CO 0.60 0.53 0.00 0.23 0.00 0.00 0.00 178.15 179.50