#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 0.30 -6.85 3.23 4.81 -2.02 -3.41 114.58 110.64 2vxf h GLU -1 Ca 0.00 -0.10 -0.47 0.00 -0.13 0.00 0.00 59.36 58.66 2vxf h GLU -1 Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2vxf h GLU -1 CO 0.00 0.52 0.19 -0.51 -0.73 0.00 0.00 179.01 178.48 2vxf s ASP 0 N -6.85 6.83 0.28 1.04 -0.00 -1.26 -4.97 116.67 111.73 2vxf s ASP 0 Ca -0.06 1.43 0.01 0.00 -0.00 0.00 0.00 52.55 53.93 2vxf s ASP 0 Cb 0.14 -2.43 0.40 0.00 -0.00 0.00 0.00 42.92 41.03 2vxf s ASP 0 CO 0.76 -0.26 1.75 1.55 -0.00 0.00 0.00 175.17 178.97 2vxf h PRO 1 N 2.12 0.63 -0.21 8.23 0.13 -1.99 -2.62 132.00 138.29 2vxf h PRO 1 Ca -0.48 -0.19 -0.10 0.00 -0.87 0.00 0.00 66.00 64.35 2vxf h PRO 1 Cb 1.18 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2vxf h PRO 1 CO 0.64 0.73 -0.30 1.03 -0.23 0.00 0.00 178.00 179.87 2vxf h SER 2 N 0.57 0.43 0.11 1.44 0.87 -1.94 -2.78 113.55 112.27 2vxf h SER 2 Ca 0.10 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2vxf h SER 2 Cb 0.54 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2vxf h SER 2 CO 0.03 0.72 -0.38 1.23 -0.53 0.00 0.00 176.83 177.90 2vxf h GLY 3 N 1.05 0.39 1.51 5.77 0.00 -1.82 -2.95 103.07 107.03 2vxf h GLY 3 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2vxf h GLY 3 CO 0.05 0.33 -0.14 -1.33 0.00 0.00 0.00 176.54 175.46 2vxf h GLY 4 N 1.14 0.64 -6.69 4.60 0.00 -1.20 -3.39 103.07 98.16 2vxf h GLY 4 Ca 0.03 -0.47 -0.45 0.00 0.00 0.00 0.00 47.33 46.44 2vxf h GLY 4 CO 0.06 0.43 -0.78 -1.59 0.00 0.00 0.00 176.54 174.67 2vxf s THR 5 N -4.72 0.59 0.50 4.70 2.01 -1.11 -4.89 115.64 112.72 2vxf s THR 5 Ca -0.08 -0.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 2vxf s THR 5 Cb 0.14 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 2vxf s THR 5 CO 0.79 0.28 1.10 -2.16 -0.69 0.00 0.00 174.62 173.95 2vxf s PRO 6 N 1.59 3.63 0.33 4.92 0.04 -1.25 -4.64 135.00 139.61 2vxf s PRO 6 Ca 0.00 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.65 2vxf s PRO 6 Cb -0.13 -2.15 0.59 0.00 0.04 0.00 0.00 34.50 32.85 2vxf s PRO 6 CO -0.04 -0.61 1.83 -0.92 0.04 0.00 0.00 177.00 177.30 2vxf h TYR 7 N 1.57 0.43 -3.61 0.56 3.20 -2.00 -3.43 116.97 113.69 2vxf h TYR 7 Ca -0.50 -0.06 -0.53 0.00 3.14 0.00 0.00 58.73 60.78 2vxf h TYR 7 Cb 1.24 -0.12 0.07 0.00 1.54 0.00 0.00 36.73 39.47 2vxf h TYR 7 CO 0.54 0.54 0.74 0.42 -1.64 0.00 0.00 178.16 178.75 2vxf s ILE 8 N -4.70 2.54 0.00 1.81 1.01 -1.26 -2.15 121.20 118.45 2vxf s ILE 8 Ca -0.06 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2vxf s ILE 8 Cb 0.15 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2vxf s ILE 8 CO 0.76 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.41 2vxf n GLY 9 N 1.52 0.59 3.89 6.18 0.00 -0.63 -5.03 105.19 111.72 2vxf n GLY 9 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.87 6.51 -0.08 1.61 0.01 -0.91 -4.82 113.70 113.14 2vxf s SER 10 Ca 0.00 0.81 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 2vxf s SER 10 Cb 0.00 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2vxf s SER 10 CO 0.00 -0.17 0.84 -0.75 0.41 0.00 0.00 173.24 173.58 2vxf s LYS 11 N -3.32 4.43 0.08 12.44 2.20 -1.26 -2.04 119.74 132.27 2vxf s LYS 11 Ca 0.46 1.11 0.05 0.00 -0.36 0.00 0.00 55.97 57.23 2vxf s LYS 11 Cb -0.11 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 2vxf s LYS 11 CO 0.27 -0.12 -0.13 0.42 -0.36 0.00 0.00 175.35 175.43 2vxf s ILE 12 N 1.38 1.07 -0.09 5.43 1.01 -0.85 -2.81 121.20 126.34 2vxf s ILE 12 Ca 0.43 -1.38 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2vxf s ILE 12 Cb -0.18 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 2vxf s ILE 12 CO 0.19 -0.30 -0.17 -0.55 0.00 0.00 0.00 174.94 174.11 2vxf s SER 13 N -1.91 3.75 -0.05 3.58 0.15 -0.78 -2.63 113.70 115.82 2vxf s SER 13 Ca -0.00 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.35 2vxf s SER 13 Cb -0.08 -1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 62.94 2vxf s SER 13 CO 0.02 0.22 -0.23 -0.22 1.20 0.00 0.00 173.24 174.23 2vxf s LEU 14 N 0.00 2.03 -0.21 3.45 2.96 -0.45 -2.35 118.68 124.11 2vxf s LEU 14 Ca -0.05 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 2vxf s LEU 14 Cb -0.15 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2vxf s LEU 14 CO 0.05 0.23 0.01 -0.63 -1.32 0.00 0.00 176.35 174.69 2vxf s ILE 15 N -0.19 3.99 0.50 6.68 1.01 -0.79 -1.88 121.20 130.52 2vxf s ILE 15 Ca -0.01 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2vxf s ILE 15 Cb -0.12 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2vxf s ILE 15 CO 0.03 0.41 0.69 -0.44 0.00 0.00 0.00 174.94 175.63 2vxf s SER 16 N 1.15 5.44 0.56 3.58 0.01 -1.08 0.11 113.70 123.47 2vxf s SER 16 Ca 0.03 -0.15 0.37 0.00 1.31 0.00 0.00 55.95 57.51 2vxf s SER 16 Cb -0.14 -0.82 2.01 0.00 0.21 0.00 0.00 66.02 67.28 2vxf s SER 16 CO 0.02 -0.98 2.14 0.50 0.41 0.00 0.00 173.24 175.32 2vxf h LYS 17 N 0.30 0.00 -0.69 12.44 1.63 -1.04 -1.77 116.57 127.43 2vxf h LYS 17 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2vxf h LYS 17 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2vxf h LYS 17 CO 0.50 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.50 2vxf n ALA 18 N -1.98 3.04 -2.21 5.00 0.00 -1.26 -4.88 120.51 118.22 2vxf n ALA 18 Ca -0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 2vxf n ALA 18 Cb 0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.11 0.00 -0.58 -0.67 -4.46 120.64 109.51 2vxf n GLU 19 Ca 0.14 0.97 -0.32 0.00 -0.42 0.00 0.00 57.16 57.53 2vxf n GLU 19 Cb 0.65 -5.55 -0.07 0.00 -0.57 0.00 0.00 31.44 25.89 2vxf n GLU 19 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2vxf s ILE 20 N -2.87 4.62 -0.24 -3.67 1.01 -1.26 -4.54 121.20 114.25 2vxf s ILE 20 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 2vxf s ILE 20 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2vxf s ILE 20 CO 0.00 0.31 0.07 -0.60 0.00 0.00 0.00 174.94 174.72 2vxf s ARG 21 N -1.84 3.67 -0.12 2.79 3.52 -1.26 -2.62 118.95 123.08 2vxf s ARG 21 Ca 0.24 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.35 2vxf s ARG 21 Cb -0.12 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2vxf s ARG 21 CO 0.15 -0.16 -0.07 0.71 -0.81 0.00 0.00 175.30 175.12 2vxf s TYR 22 N 1.53 2.94 -0.02 5.12 2.02 -0.79 -2.15 117.35 126.01 2vxf s TYR 22 Ca 0.06 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 2vxf s TYR 22 Cb -0.15 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2vxf s TYR 22 CO 0.03 0.03 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.80 2vxf s GLU 23 N 0.01 2.14 0.18 -0.62 2.12 -0.95 -1.35 118.70 120.24 2vxf s GLU 23 Ca -0.01 -0.91 -0.19 0.00 0.36 0.00 0.00 54.97 54.22 2vxf s GLU 23 Cb -0.14 -2.10 0.07 0.00 0.26 0.00 0.00 34.13 32.22 2vxf s GLU 23 CO 0.03 0.57 0.91 0.41 -0.54 0.00 0.00 175.26 176.64 2vxf n GLY 24 N 2.30 0.70 3.62 -1.50 0.00 -1.08 -1.56 105.19 107.67 2vxf n GLY 24 Ca -0.16 -1.13 -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 4.50 -0.22 -0.61 -1.09 -1.06 -2.02 121.20 118.58 2vxf s ILE 25 Ca 0.20 -0.15 -0.28 0.00 -2.23 0.00 0.00 60.65 58.19 2vxf s ILE 25 Cb -0.03 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 2vxf s ILE 25 CO 0.05 0.51 2.09 -0.22 -1.23 0.00 0.00 174.94 176.14 2vxf s LEU 26 N 0.05 3.54 -0.20 2.97 2.96 -0.86 -2.71 118.68 124.42 2vxf s LEU 26 Ca 0.04 1.81 -0.18 0.00 -0.22 0.00 0.00 54.13 55.57 2vxf s LEU 26 Cb -0.13 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 2vxf s LEU 26 CO 0.01 -1.82 0.06 0.00 -1.32 0.00 0.00 176.35 173.28 2vxf n TYR 27 N 11.00 0.86 -3.84 5.38 9.36 -1.07 -1.60 117.16 137.26 2vxf n TYR 27 Ca 0.27 0.37 -0.12 0.00 3.32 0.00 0.00 57.90 61.75 2vxf n TYR 27 Cb 0.45 -1.02 -0.11 0.00 -0.63 0.00 0.00 39.34 38.03 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 -2.37 0.03 -0.15 2.97 -4.23 -1.12 -4.81 115.64 105.96 2vxf s THR 28 Ca -0.27 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2vxf s THR 28 Cb 0.06 -0.31 -0.00 0.00 1.34 0.00 0.00 72.50 73.59 2vxf s THR 28 CO 0.51 -0.14 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.66 2vxf s ILE 29 N -0.45 2.65 -0.51 2.99 1.01 -1.26 -2.16 121.20 123.47 2vxf s ILE 29 Ca -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 2vxf s ILE 29 Cb -0.04 -2.11 0.13 0.00 0.01 0.00 0.00 42.46 40.46 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 0.78 5.31 0.19 3.58 2.15 -0.79 -4.95 116.67 122.94 2vxf s ASP 30 Ca -0.06 -2.37 -0.05 0.00 0.43 0.00 0.00 52.55 50.51 2vxf s ASP 30 Cb -0.15 -1.86 0.11 0.00 -0.30 0.00 0.00 42.92 40.71 2vxf s ASP 30 CO 0.00 -0.49 1.53 0.74 -0.17 0.00 0.00 175.17 176.78 2vxf h THR 31 N 5.88 1.30 -0.08 1.71 2.02 -1.98 -2.40 112.91 119.35 2vxf h THR 31 Ca -0.09 -1.65 0.02 0.00 0.77 0.00 0.00 66.41 65.46 2vxf h THR 31 Cb 1.01 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2vxf h THR 31 CO 0.72 0.53 0.06 -0.08 0.37 0.00 0.00 175.52 177.12 2vxf h GLU 32 N 0.53 0.00 -0.16 6.66 4.81 -1.94 -2.01 114.58 122.47 2vxf h GLU 32 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2vxf h GLU 32 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2vxf h GLU 32 CO 0.09 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.46 2vxf n ASN 33 N -4.44 2.76 -3.94 1.04 3.02 -1.22 -4.99 115.26 107.49 2vxf n ASN 33 Ca -0.01 -2.43 -0.27 0.00 -0.03 0.00 0.00 54.58 51.84 2vxf n ASN 33 Cb 0.17 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.37 -1.65 -4.15 6.41 7.64 -0.76 -4.89 113.62 115.86 2vxf n SER 34 Ca 0.11 -0.94 -0.17 0.00 1.01 0.00 0.00 58.87 58.88 2vxf n SER 34 Cb 0.52 -3.34 -0.12 0.00 -1.01 0.00 0.00 64.21 60.26 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 -3.69 0.99 -0.01 0.44 -4.23 -0.91 -2.27 115.64 105.96 2vxf s THR 35 Ca 0.22 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2vxf s THR 35 Cb -0.12 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 2vxf s THR 35 CO 0.87 -0.26 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.90 2vxf s VAL 36 N -1.31 0.79 -0.15 2.29 1.01 -0.93 -1.89 120.40 120.21 2vxf s VAL 36 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2vxf s VAL 36 Cb -0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2vxf s VAL 36 CO 0.02 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 2vxf s ALA 37 N -0.21 2.72 -0.05 5.51 0.00 -0.92 -2.27 121.76 126.55 2vxf s ALA 37 Ca 0.03 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2vxf s ALA 37 Cb -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2vxf s ALA 37 CO -0.00 0.12 -0.19 -0.51 0.00 0.00 0.00 175.76 175.17 2vxf s LEU 38 N 0.55 2.42 0.30 0.00 1.43 -0.98 -2.59 118.68 119.82 2vxf s LEU 38 Ca -0.07 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 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 0.03 0.31 -0.05 0.00 0.23 0.00 0.00 176.35 176.88 2vxf s ALA 39 N -0.56 3.08 -1.20 4.21 0.00 -1.10 -2.25 121.76 123.94 2vxf s ALA 39 Ca 0.08 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.10 2vxf s ALA 39 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2vxf s ALA 39 CO 0.01 0.20 0.74 1.63 0.00 0.00 0.00 175.76 178.33 2vxf n LYS 40 N -0.85 -2.37 -4.57 0.00 5.02 -0.82 -2.57 118.16 112.00 2vxf n LYS 40 Ca -0.05 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.47 2vxf n LYS 40 Cb 0.60 -4.59 -0.13 0.00 -0.02 0.00 0.00 35.03 30.90 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 -3.57 2.41 0.06 -0.18 0.11 -1.05 -4.20 120.40 113.99 2vxf s VAL 41 Ca 0.31 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.87 2vxf s VAL 41 Cb -0.10 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 2vxf s VAL 41 CO 0.84 0.21 -0.07 0.00 -3.33 0.00 0.00 175.10 172.75 2vxf s ARG 42 N -1.73 0.61 -0.18 1.54 1.70 -0.60 -1.84 118.95 118.45 2vxf s ARG 42 Ca 0.14 -0.94 -0.10 0.00 -0.47 0.00 0.00 55.73 54.37 2vxf s ARG 42 Cb -0.10 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.00 2vxf s ARG 42 CO 0.05 0.02 0.15 -1.54 -1.08 0.00 0.00 175.30 172.90 2vxf s SER 43 N -2.05 6.26 0.15 -2.89 1.04 -1.26 -2.24 113.70 112.71 2vxf s SER 43 Ca -0.03 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 2vxf s SER 43 Cb -0.05 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 2vxf s SER 43 CO -0.02 0.22 1.52 -0.26 0.98 0.00 0.00 173.24 175.68 2vxf h PHE 44 N 6.36 1.14 0.00 5.02 0.05 -1.84 -3.40 116.94 124.26 2vxf h PHE 44 Ca -0.44 -0.30 0.00 0.00 3.82 0.00 0.00 57.97 61.05 2vxf h PHE 44 Cb 1.17 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.86 2vxf h PHE 44 CO 0.61 1.13 0.00 0.41 -0.18 0.00 0.00 178.31 180.29 2vxf n GLY 45 N -0.01 1.39 0.12 -1.45 0.00 -1.26 -4.83 105.19 99.15 2vxf n GLY 45 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 0.13 2.61 -2.24 -1.26 -4.29 114.28 109.26 2vxf n THR 46 Ca 0.00 -0.82 0.19 0.00 -2.27 0.00 0.00 64.05 61.16 2vxf n THR 46 Cb 0.00 0.70 0.77 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.44 0.00 -0.29 -0.78 4.81 -1.95 0.43 114.58 117.24 2vxf h GLU 47 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2vxf h GLU 47 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2vxf h GLU 47 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.50 2vxf h ASP 48 N 0.00 0.41 -2.26 1.04 1.82 -1.86 -3.37 116.42 112.20 2vxf h ASP 48 Ca 0.16 -0.07 -0.45 0.00 -0.39 0.00 0.00 57.03 56.28 2vxf h ASP 48 Cb 0.90 -0.11 -0.35 0.00 0.68 0.00 0.00 39.33 40.46 2vxf h ASP 48 CO -0.00 0.48 -0.74 -0.13 -1.61 0.00 0.00 179.24 177.24 2vxf s ARG 49 N -4.98 0.52 0.32 0.28 0.52 0.15 -5.02 118.95 110.74 2vxf s ARG 49 Ca -0.07 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 2vxf s ARG 49 Cb 0.16 -0.94 -0.10 0.00 0.52 0.00 0.00 34.95 34.58 2vxf s ARG 49 CO 0.75 -1.16 1.40 -1.25 0.02 0.00 0.00 175.30 175.06 2vxf s PRO 50 N 1.51 4.25 0.26 3.54 0.04 -1.17 -4.90 135.00 138.53 2vxf s PRO 50 Ca 0.15 2.36 0.05 0.00 0.04 0.00 0.00 61.00 63.60 2vxf s PRO 50 Cb -0.18 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2vxf s PRO 50 CO -0.09 -0.36 -0.04 0.95 0.04 0.00 0.00 177.00 177.50 2vxf s THR 51 N -0.82 1.41 -1.69 1.26 -4.23 -1.26 -5.03 115.64 105.28 2vxf s THR 51 Ca 0.53 -2.09 0.28 0.00 -1.18 0.00 0.00 61.69 59.23 2vxf s THR 51 Cb -0.43 -2.40 0.63 0.00 1.34 0.00 0.00 72.50 71.64 2vxf s THR 51 CO 0.53 -0.31 1.98 -0.67 -0.54 0.00 0.00 174.62 175.61 2vxf n ASP 52 N -0.52 0.00 -4.65 3.99 2.03 -1.26 -4.73 116.55 111.42 2vxf n ASP 52 Ca -0.05 -0.47 -0.36 0.00 0.52 0.00 0.00 54.79 54.43 2vxf n ASP 52 Cb 0.64 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.31 4.05 0.32 -0.67 3.00 -1.26 -5.07 118.95 117.02 2vxf s ARG 53 Ca 0.34 -0.28 -0.29 0.00 -1.00 0.00 0.00 55.73 54.50 2vxf s ARG 53 Cb 0.19 -3.52 -0.10 0.00 0.00 0.00 0.00 34.95 31.51 2vxf s ARG 53 CO 0.38 0.05 1.28 -1.25 0.00 0.00 0.00 175.30 175.75 2vxf s PRO 54 N 1.08 4.40 0.04 5.12 0.04 -1.26 -5.03 135.00 139.38 2vxf s PRO 54 Ca 0.07 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.31 2vxf s PRO 54 Cb -0.14 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2vxf s PRO 54 CO 0.05 -0.13 -0.08 0.42 0.04 0.00 0.00 177.00 177.30 2vxf s ILE 55 N -1.14 3.52 0.73 0.56 -1.09 -1.26 -5.11 121.20 117.41 2vxf s ILE 55 Ca 0.48 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 2vxf s ILE 55 Cb -0.39 -2.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.97 2vxf s ILE 55 CO 0.51 0.31 1.12 0.00 -1.23 0.00 0.00 174.94 175.65 2vxf s ALA 56 N -1.06 2.26 0.83 9.38 0.00 -1.26 -4.98 121.76 126.93 2vxf s ALA 56 Ca 0.18 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2vxf s ALA 56 Cb -0.11 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.77 2vxf s ALA 56 CO 0.09 -1.65 1.16 -2.14 0.00 0.00 0.00 175.76 173.23 2vxf s PRO 57 N -4.34 1.55 0.52 0.00 0.02 -1.26 -4.90 135.00 126.59 2vxf s PRO 57 Ca 0.66 1.58 0.21 0.00 0.02 0.00 0.00 61.00 63.48 2vxf s PRO 57 Cb -0.21 -1.78 1.38 0.00 0.02 0.00 0.00 34.50 33.90 2vxf s PRO 57 CO 0.48 -2.24 2.12 0.07 -0.33 0.00 0.00 177.00 177.09 2vxf h ARG 58 N -1.24 0.00 -0.38 5.54 0.11 -1.88 -2.38 114.38 114.15 2vxf h ARG 58 Ca -0.45 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.60 2vxf h ARG 58 Cb 1.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 2vxf h ARG 58 CO 0.45 0.08 0.11 -0.44 0.10 0.00 0.00 179.97 180.27 2vxf h ASP 59 N 0.00 0.50 -3.78 0.08 3.45 -1.92 -3.42 116.42 111.32 2vxf h ASP 59 Ca -0.00 -0.06 -0.49 0.00 0.43 0.00 0.00 57.03 56.91 2vxf h ASP 59 Cb 0.16 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 2vxf h ASP 59 CO 0.01 0.49 0.33 -1.61 -1.57 0.00 0.00 179.24 176.89 2vxf s GLU 60 N -5.18 4.72 0.14 3.56 2.02 -0.90 -5.07 118.70 118.00 2vxf s GLU 60 Ca -0.08 1.39 0.08 0.00 0.02 0.00 0.00 54.97 56.38 2vxf s GLU 60 Cb 0.16 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 2vxf s GLU 60 CO 0.75 0.43 -0.18 0.99 0.02 0.00 0.00 175.26 177.27 2vxf s THR 61 N -1.35 1.72 -0.14 3.63 2.01 -1.26 -4.78 115.64 115.47 2vxf s THR 61 Ca 0.44 -1.79 -0.07 0.00 0.31 0.00 0.00 61.69 60.59 2vxf s THR 61 Cb -0.23 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2vxf s THR 61 CO 0.28 -0.26 0.10 -0.36 -0.69 0.00 0.00 174.62 173.69 2vxf s PHE 62 N -1.82 3.42 0.09 4.92 0.40 -0.77 -4.96 117.98 119.26 2vxf s PHE 62 Ca 0.12 0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 56.63 2vxf s PHE 62 Cb -0.07 -1.98 -0.08 0.00 0.51 0.00 0.00 43.02 41.41 2vxf s PHE 62 CO 0.05 0.50 1.47 1.49 0.70 0.00 0.00 175.22 179.43 2vxf h GLU 63 N 5.63 0.57 -2.77 0.44 4.81 -1.94 -2.76 114.58 118.56 2vxf h GLU 63 Ca -0.48 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.33 2vxf h GLU 63 Cb 1.20 -0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.25 2vxf h GLU 63 CO 0.63 0.80 -0.46 -0.47 -0.73 0.00 0.00 179.01 178.77 2vxf s TYR 64 N -4.66 -0.53 0.05 0.92 6.14 -1.26 -1.94 117.35 116.06 2vxf s TYR 64 Ca -0.13 1.12 0.04 0.00 0.64 0.00 0.00 57.07 58.74 2vxf s TYR 64 Cb 0.08 0.09 -0.02 0.00 0.42 0.00 0.00 41.96 42.52 2vxf s TYR 64 CO 0.78 -0.37 -0.13 0.42 0.64 0.00 0.00 175.55 176.89 2vxf s ILE 65 N 2.25 1.00 -0.08 3.14 1.01 -0.96 -5.03 121.20 122.54 2vxf s ILE 65 Ca -0.02 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2vxf s ILE 65 Cb -0.12 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2vxf s ILE 65 CO -0.10 -0.11 -0.09 -0.63 0.00 0.00 0.00 174.94 174.01 2vxf s ILE 66 N -1.01 3.51 0.04 2.92 1.01 -1.26 -2.31 121.20 124.10 2vxf s ILE 66 Ca -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.15 2vxf s ILE 66 Cb -0.08 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 2vxf s ILE 66 CO 0.01 0.58 -0.15 -0.36 0.00 0.00 0.00 174.94 175.02 2vxf s PHE 67 N -0.61 1.34 0.13 3.97 0.08 -0.96 -5.04 117.98 116.89 2vxf s PHE 67 Ca 0.09 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.84 2vxf s PHE 67 Cb -0.12 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2vxf s PHE 67 CO 0.02 0.04 0.07 1.03 -0.10 0.00 0.00 175.22 176.28 2vxf s ARG 68 N -1.11 2.73 0.58 0.44 0.52 -1.26 -2.20 118.95 118.65 2vxf s ARG 68 Ca 0.03 -0.85 0.28 0.00 -0.52 0.00 0.00 55.73 54.66 2vxf s ARG 68 Cb -0.08 -2.60 1.66 0.00 0.52 0.00 0.00 34.95 34.45 2vxf s ARG 68 CO 0.01 0.51 2.13 0.78 0.02 0.00 0.00 175.30 178.76 2vxf h GLY 69 N 2.92 0.00 0.99 -3.53 0.00 -1.80 -2.10 103.07 99.55 2vxf h GLY 69 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 2vxf h GLY 69 CO 0.62 0.00 0.02 1.48 0.00 0.00 0.00 176.54 178.66 2vxf h SER 70 N 0.00 0.80 0.68 0.19 4.64 -1.94 -3.21 113.55 114.71 2vxf h SER 70 Ca 0.07 -0.30 -0.26 0.00 -0.47 0.00 0.00 61.79 60.83 2vxf h SER 70 Cb 0.38 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2vxf h SER 70 CO -0.00 0.90 -1.41 -2.24 -0.87 0.00 0.00 176.83 173.21 2vxf h ASP 71 N 0.68 0.07 -4.03 4.97 2.03 -1.83 -3.46 116.42 114.86 2vxf h ASP 71 Ca 0.14 -0.11 -0.52 0.00 -0.73 0.00 0.00 57.03 55.81 2vxf h ASP 71 Cb 0.48 -0.02 0.09 0.00 -0.83 0.00 0.00 39.33 39.05 2vxf h ASP 71 CO 0.02 1.09 0.52 -0.63 -1.03 0.00 0.00 179.24 179.21 2vxf s ILE 72 N -2.64 2.73 -0.17 4.15 1.01 -0.85 -0.44 121.20 124.99 2vxf s ILE 72 Ca -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 2vxf s ILE 72 Cb 0.09 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 2vxf s ILE 72 CO 0.83 -0.02 -0.18 1.17 0.00 0.00 0.00 174.94 176.74 2vxf n LYS 73 N -0.78 0.39 -3.79 2.79 4.81 0.12 -4.74 118.16 116.97 2vxf n LYS 73 Ca 0.09 0.13 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 2vxf n LYS 73 Cb 0.47 -1.23 -0.09 0.00 0.02 0.00 0.00 35.03 34.20 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 -6.05 -0.14 -0.07 3.14 2.15 -1.10 -5.01 116.67 109.58 2vxf s ASP 74 Ca -0.23 0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.80 2vxf s ASP 74 Cb 0.07 0.29 0.01 0.00 -0.30 0.00 0.00 42.92 43.00 2vxf s ASP 74 CO 0.35 -0.42 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.58 2vxf s LEU 75 N -1.32 1.63 0.02 -1.34 0.20 -1.26 -1.88 118.68 114.73 2vxf s LEU 75 Ca -0.14 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.40 2vxf s LEU 75 Cb -0.06 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.84 2vxf s LEU 75 CO 0.04 0.03 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.15 2vxf s THR 76 N 0.72 0.62 0.04 3.68 2.01 -0.99 -5.05 115.64 116.67 2vxf s THR 76 Ca -0.14 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 2vxf s THR 76 Cb -0.16 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 2vxf s THR 76 CO 0.03 -0.03 0.34 -0.69 -0.69 0.00 0.00 174.62 173.58 2vxf s VAL 77 N -0.63 5.18 -0.06 3.82 1.01 -1.26 -1.86 120.40 126.59 2vxf s VAL 77 Ca -0.01 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2vxf s VAL 77 Cb -0.06 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2vxf s VAL 77 CO 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 175.10 175.43 2vxf s GLU 79 N -2.13 3.77 1.07 0.00 2.12 -1.23 -5.06 118.70 117.24 2vxf s GLU 79 Ca -0.07 -0.22 -0.17 0.00 0.36 0.00 0.00 54.97 54.87 2vxf s GLU 79 Cb 0.02 -3.74 0.23 0.00 0.26 0.00 0.00 34.13 30.91 2vxf s GLU 79 CO 0.17 -0.41 1.20 -1.25 -0.54 0.00 0.00 175.26 174.43 2vxf s PRO 80 N 2.04 -0.16 0.72 4.30 0.04 -1.26 -4.72 135.00 135.96 2vxf s PRO 80 Ca 0.13 -0.17 -0.15 0.00 0.04 0.00 0.00 61.00 60.84 2vxf s PRO 80 Cb -0.16 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2vxf s PRO 80 CO 0.11 -2.99 1.21 -2.14 0.04 0.00 0.00 177.00 173.23 2vxf s PRO 81 N -5.60 2.22 0.45 0.56 0.02 -1.26 -5.02 135.00 126.37 2vxf s PRO 81 Ca 0.71 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 63.47 2vxf s PRO 81 Cb -0.08 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 2vxf s PRO 81 CO 0.54 -1.77 0.71 0.15 -0.33 0.00 0.00 177.00 176.30 2vxf s LYS 82 N -3.87 3.39 0.55 5.54 -0.14 -1.26 -5.04 119.74 118.90 2vxf s LYS 82 Ca 0.74 -0.08 -0.21 0.00 -1.36 0.00 0.00 55.97 55.07 2vxf s LYS 82 Cb -0.29 -2.47 -0.05 0.00 -1.68 0.00 0.00 37.83 33.34 2vxf s LYS 82 CO 0.44 -0.16 1.31 -2.14 -0.76 0.00 0.00 175.35 174.04 2vxf s PRO 83 N -4.62 3.16 0.23 -1.68 0.02 -1.26 -5.04 135.00 125.82 2vxf s PRO 83 Ca 0.46 2.11 0.09 0.00 0.02 0.00 0.00 61.00 63.67 2vxf s PRO 83 Cb -0.10 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 2vxf s PRO 83 CO 0.41 -1.13 -0.15 0.96 -0.33 0.00 0.00 177.00 176.76 2vxf s ILE 84 N -1.38 1.92 0.00 2.83 -4.36 -1.26 -5.22 121.20 113.74 2vxf s ILE 84 Ca 0.72 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 2vxf s ILE 84 Cb -0.37 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2vxf s ILE 84 CO 0.43 -0.52 0.01 0.80 0.24 0.00 0.00 174.94 175.90