#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 0.38 -4.95 1.96 4.81 -2.04 -3.40 114.58 111.34 2vxf h GLU -1 Ca 0.00 -0.11 -0.64 0.00 -0.13 0.00 0.00 59.36 58.48 2vxf h GLU -1 Cb 0.00 -0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.18 2vxf h GLU -1 CO 0.00 0.55 -0.46 -0.51 -0.73 0.00 0.00 179.01 177.86 2vxf s ASP 0 N -6.82 6.07 0.33 1.04 1.01 -1.26 -4.96 116.67 112.07 2vxf s ASP 0 Ca -0.06 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.29 2vxf s ASP 0 Cb 0.15 -2.14 0.59 0.00 1.01 0.00 0.00 42.92 42.53 2vxf s ASP 0 CO 0.76 -0.08 1.83 -0.65 0.21 0.00 0.00 175.17 177.25 2vxf h PRO 1 N 8.33 0.41 -0.51 8.23 0.11 -1.99 -1.95 132.00 144.64 2vxf h PRO 1 Ca -0.34 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2vxf h PRO 1 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2vxf h PRO 1 CO 0.57 0.55 -0.11 1.03 -0.21 0.00 0.00 178.00 179.83 2vxf h SER 2 N 0.38 0.95 0.30 -2.05 0.87 -1.92 -1.07 113.55 111.01 2vxf h SER 2 Ca 0.07 -0.31 -0.23 0.00 -1.23 0.00 0.00 61.79 60.10 2vxf h SER 2 Cb 0.47 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2vxf h SER 2 CO 0.03 1.07 -0.95 1.23 -0.53 0.00 0.00 176.83 177.67 2vxf h GLY 3 N 0.96 0.50 1.53 5.77 0.00 -1.92 -3.25 103.07 106.66 2vxf h GLY 3 Ca 0.14 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.47 2vxf h GLY 3 CO 0.05 0.77 -0.38 -1.33 0.00 0.00 0.00 176.54 175.64 2vxf h GLY 4 N 1.14 0.56 -5.06 4.60 0.00 -1.21 -3.43 103.07 99.66 2vxf h GLY 4 Ca -0.08 -0.54 -0.67 0.00 0.00 0.00 0.00 47.33 46.03 2vxf h GLY 4 CO 0.17 0.49 -0.65 -1.59 0.00 0.00 0.00 176.54 174.96 2vxf s THR 5 N -4.26 4.12 0.48 4.70 2.01 -0.42 -5.09 115.64 117.17 2vxf s THR 5 Ca -0.07 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 2vxf s THR 5 Cb 0.13 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.78 2vxf s THR 5 CO 0.81 0.49 1.07 -2.16 -0.69 0.00 0.00 174.62 174.14 2vxf s PRO 6 N -1.19 3.78 0.19 4.92 0.04 -1.26 -4.72 135.00 136.75 2vxf s PRO 6 Ca 0.16 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2vxf s PRO 6 Cb -0.11 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.38 2vxf s PRO 6 CO 0.06 -0.47 1.82 -0.92 0.04 0.00 0.00 177.00 177.54 2vxf h TYR 7 N 1.68 0.66 -3.62 0.56 5.03 -1.97 -3.41 116.97 115.91 2vxf h TYR 7 Ca -0.49 0.02 -0.52 0.00 2.58 0.00 0.00 58.73 60.31 2vxf h TYR 7 Cb 1.23 -0.21 0.06 0.00 1.55 0.00 0.00 36.73 39.36 2vxf h TYR 7 CO 0.56 0.37 0.70 0.42 -1.32 0.00 0.00 178.16 178.89 2vxf s ILE 8 N -6.13 2.72 0.00 1.81 1.01 -1.26 -2.11 121.20 117.24 2vxf s ILE 8 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2vxf s ILE 8 Cb 0.14 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2vxf s ILE 8 CO 0.75 0.13 0.00 0.61 0.00 0.00 0.00 174.94 176.43 2vxf n GLY 9 N 1.55 0.57 3.88 6.18 0.00 -0.35 -5.01 105.19 112.01 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 -2.86 6.22 0.01 1.61 0.01 -0.90 -4.74 113.70 113.06 2vxf s SER 10 Ca 0.00 1.24 -0.24 0.00 1.31 0.00 0.00 55.95 58.26 2vxf s SER 10 Cb 0.00 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 2vxf s SER 10 CO 0.00 -0.78 0.73 -0.54 0.41 0.00 0.00 173.24 173.07 2vxf s LYS 11 N -5.03 4.46 0.04 12.44 1.02 -1.26 -1.94 119.74 129.46 2vxf s LYS 11 Ca 0.52 0.99 0.03 0.00 0.02 0.00 0.00 55.97 57.53 2vxf s LYS 11 Cb -0.11 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2vxf s LYS 11 CO 0.51 0.24 -0.10 0.42 -0.92 0.00 0.00 175.35 175.50 2vxf s ILE 12 N 0.13 0.72 -0.09 2.17 1.01 -0.87 -2.27 121.20 122.00 2vxf s ILE 12 Ca 0.38 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2vxf s ILE 12 Cb -0.20 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2vxf s ILE 12 CO 0.21 -0.18 -0.16 -0.55 0.00 0.00 0.00 174.94 174.26 2vxf s SER 13 N -1.22 3.79 -0.03 3.58 0.15 -0.74 -2.61 113.70 116.62 2vxf s SER 13 Ca -0.04 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.32 2vxf s SER 13 Cb -0.08 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.98 2vxf s SER 13 CO 0.01 0.23 -0.18 -0.22 1.20 0.00 0.00 173.24 174.28 2vxf s LEU 14 N -0.06 1.97 -0.22 3.45 2.96 -0.63 -2.23 118.68 123.93 2vxf s LEU 14 Ca -0.04 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2vxf s LEU 14 Cb -0.14 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2vxf s LEU 14 CO 0.04 0.19 0.00 -0.63 -1.32 0.00 0.00 176.35 174.63 2vxf s ILE 15 N -0.16 3.81 0.65 6.68 1.01 -0.79 -1.91 121.20 130.50 2vxf s ILE 15 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2vxf s ILE 15 Cb -0.10 -2.74 0.10 0.00 0.01 0.00 0.00 42.46 39.72 2vxf s ILE 15 CO 0.01 0.40 0.91 -0.44 0.00 0.00 0.00 174.94 175.82 2vxf s SER 16 N 1.38 4.70 0.65 3.58 0.01 -1.09 -1.05 113.70 121.88 2vxf s SER 16 Ca 0.05 -0.33 0.39 0.00 1.31 0.00 0.00 55.95 57.37 2vxf s SER 16 Cb -0.15 -0.21 2.19 0.00 0.21 0.00 0.00 66.02 68.06 2vxf s SER 16 CO 0.00 -1.60 2.29 0.50 0.41 0.00 0.00 173.24 174.85 2vxf h LYS 17 N -0.27 0.00 -0.62 12.44 3.64 -1.63 -1.41 116.57 128.72 2vxf h LYS 17 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2vxf h LYS 17 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2vxf h LYS 17 CO 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 2vxf n ALA 18 N -2.13 2.91 -2.32 5.00 0.00 -1.26 -4.89 120.51 117.82 2vxf n ALA 18 Ca -0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 2vxf n ALA 18 Cb 0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 0.46 -1.79 -4.05 0.00 1.02 -0.53 -4.98 120.64 110.77 2vxf n GLU 19 Ca 0.14 0.92 -0.31 0.00 -0.02 0.00 0.00 57.16 57.90 2vxf n GLU 19 Cb 0.58 -5.54 -0.06 0.00 -0.02 0.00 0.00 31.44 26.39 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 -4.37 121.20 114.38 2vxf s ILE 20 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2vxf s ILE 20 Cb 0.00 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2vxf s ILE 20 CO 0.00 0.15 0.06 -0.60 0.00 0.00 0.00 174.94 174.55 2vxf s ARG 21 N -2.34 3.67 -0.03 2.79 3.52 -1.26 -2.66 118.95 122.64 2vxf s ARG 21 Ca 0.29 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.45 2vxf s ARG 21 Cb -0.12 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2vxf s ARG 21 CO 0.22 -0.14 -0.11 0.71 -0.81 0.00 0.00 175.30 175.18 2vxf s TYR 22 N 1.46 2.80 -0.01 5.12 2.02 -0.80 -2.60 117.35 125.34 2vxf s TYR 22 Ca 0.06 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 2vxf s TYR 22 Cb -0.15 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2vxf s TYR 22 CO 0.03 0.29 -0.26 -2.00 -1.57 0.00 0.00 175.55 172.04 2vxf s GLU 23 N -1.02 2.04 0.27 -0.62 2.12 -0.91 -1.60 118.70 118.97 2vxf s GLU 23 Ca 0.14 -0.95 -0.16 0.00 0.36 0.00 0.00 54.97 54.35 2vxf s GLU 23 Cb -0.11 -2.01 0.06 0.00 0.26 0.00 0.00 34.13 32.33 2vxf s GLU 23 CO 0.03 0.55 0.82 0.41 -0.54 0.00 0.00 175.26 176.53 2vxf n GLY 24 N 2.34 0.89 3.63 -1.50 0.00 -1.08 -1.58 105.19 107.90 2vxf n GLY 24 Ca -0.16 -1.19 -0.33 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 -2.15 3.90 -0.33 -0.61 -1.09 -1.10 -2.04 121.20 117.78 2vxf s ILE 25 Ca 0.17 -0.60 -0.28 0.00 -2.23 0.00 0.00 60.65 57.72 2vxf s ILE 25 Cb -0.04 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2vxf s ILE 25 CO 0.08 0.46 1.92 -0.22 -1.23 0.00 0.00 174.94 175.95 2vxf s LEU 26 N -1.28 3.47 -0.21 2.97 2.96 -0.82 -2.74 118.68 123.04 2vxf s LEU 26 Ca 0.16 1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 55.26 2vxf s LEU 26 Cb -0.11 -3.41 -0.15 0.00 0.50 0.00 0.00 46.19 43.02 2vxf s LEU 26 CO 0.06 -1.85 0.05 0.00 -1.32 0.00 0.00 176.35 173.29 2vxf n TYR 27 N 10.97 0.83 -3.84 5.38 9.36 -1.05 -1.21 117.16 137.60 2vxf n TYR 27 Ca 0.25 0.36 -0.12 0.00 3.32 0.00 0.00 57.90 61.71 2vxf n TYR 27 Cb 0.47 -1.01 -0.12 0.00 -0.63 0.00 0.00 39.34 38.05 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 -2.38 0.02 -0.16 2.97 -4.23 -1.10 -4.82 115.64 105.93 2vxf s THR 28 Ca -0.28 -0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2vxf s THR 28 Cb 0.06 -0.26 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 2vxf s THR 28 CO 0.51 -0.10 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.74 2vxf s ILE 29 N -0.28 2.98 -0.48 2.99 1.01 -1.26 -2.16 121.20 124.00 2vxf s ILE 29 Ca -0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2vxf s ILE 29 Cb -0.03 -2.28 0.13 0.00 0.01 0.00 0.00 42.46 40.28 2vxf s ILE 29 CO 0.00 0.50 0.29 -0.62 0.00 0.00 0.00 174.94 175.11 2vxf s ASP 30 N 0.82 5.32 0.18 3.58 2.15 -0.82 -4.95 116.67 122.96 2vxf s ASP 30 Ca -0.04 -2.24 -0.03 0.00 0.43 0.00 0.00 52.55 50.66 2vxf s ASP 30 Cb -0.15 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.69 2vxf s ASP 30 CO 0.01 -0.52 1.48 0.74 -0.17 0.00 0.00 175.17 176.70 2vxf h THR 31 N 6.03 1.33 -0.11 1.71 2.02 -1.98 -2.40 112.91 119.51 2vxf h THR 31 Ca -0.11 -1.88 0.03 0.00 0.77 0.00 0.00 66.41 65.23 2vxf h THR 31 Cb 1.03 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2vxf h THR 31 CO 0.72 0.58 0.08 -0.08 0.37 0.00 0.00 175.52 177.20 2vxf h GLU 32 N 0.41 0.00 -0.10 6.66 4.81 -1.94 -2.03 114.58 122.38 2vxf h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vxf h GLU 32 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2vxf h GLU 32 CO 0.11 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.48 2vxf n ASN 33 N -4.37 2.54 -3.90 1.04 3.02 -1.23 -4.99 115.26 107.37 2vxf n ASN 33 Ca -0.00 -2.44 -0.25 0.00 -0.03 0.00 0.00 54.58 51.86 2vxf n ASN 33 Cb 0.20 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.56 -0.83 -4.13 6.41 7.64 -0.76 -4.88 113.62 116.51 2vxf n SER 34 Ca 0.10 -0.95 -0.18 0.00 1.01 0.00 0.00 58.87 58.85 2vxf n SER 34 Cb 0.48 -3.34 -0.12 0.00 -1.01 0.00 0.00 64.21 60.22 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 -3.83 0.96 -0.02 0.44 -4.23 -0.91 -2.46 115.64 105.59 2vxf s THR 35 Ca 0.06 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2vxf s THR 35 Cb -0.03 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 2vxf s THR 35 CO 0.87 -0.18 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.96 2vxf s VAL 36 N -1.12 0.95 -0.15 2.29 1.01 -0.92 -1.94 120.40 120.52 2vxf s VAL 36 Ca -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2vxf s VAL 36 Cb -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2vxf s VAL 36 CO 0.01 0.28 -0.07 0.00 0.00 0.00 0.00 175.10 175.32 2vxf s ALA 37 N -0.13 2.84 -0.06 5.51 0.00 -0.92 -2.26 121.76 126.74 2vxf s ALA 37 Ca 0.02 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2vxf s ALA 37 Cb -0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2vxf s ALA 37 CO -0.00 0.15 -0.19 -0.51 0.00 0.00 0.00 175.76 175.21 2vxf s LEU 38 N 0.49 2.42 0.33 0.00 1.43 -0.96 -2.52 118.68 119.87 2vxf s LEU 38 Ca -0.06 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 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 0.03 0.29 0.05 0.00 0.23 0.00 0.00 176.35 176.95 2vxf s ALA 39 N -0.39 3.30 -1.13 4.21 0.00 -1.11 -2.21 121.76 124.43 2vxf s ALA 39 Ca 0.04 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 2vxf s ALA 39 Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2vxf s ALA 39 CO 0.02 0.09 0.81 1.17 0.00 0.00 0.00 175.76 177.85 2vxf n LYS 40 N -1.01 -1.53 -4.44 0.00 4.81 -0.92 -2.70 118.16 112.38 2vxf n LYS 40 Ca -0.04 0.54 -0.27 0.00 -0.87 0.00 0.00 58.31 57.67 2vxf n LYS 40 Cb 0.61 -4.47 -0.13 0.00 0.02 0.00 0.00 35.03 31.06 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2vxf s VAL 41 N -3.46 1.94 0.02 3.15 0.11 -1.02 -4.17 120.40 116.97 2vxf s VAL 41 Ca 0.46 -1.55 -0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2vxf s VAL 41 Cb -0.14 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2vxf s VAL 41 CO 0.84 0.08 -0.03 0.00 -3.33 0.00 0.00 175.10 172.65 2vxf s ARG 42 N -1.78 0.32 -0.18 1.54 1.70 -0.61 -2.03 118.95 117.91 2vxf s ARG 42 Ca 0.10 -0.63 -0.12 0.00 -0.47 0.00 0.00 55.73 54.60 2vxf s ARG 42 Cb -0.10 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.35 2vxf s ARG 42 CO 0.04 -0.05 0.23 -1.54 -1.08 0.00 0.00 175.30 172.90 2vxf s SER 43 N -1.52 6.33 0.09 -2.89 1.04 -1.26 -2.15 113.70 113.33 2vxf s SER 43 Ca -0.15 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 2vxf s SER 43 Cb -0.09 -2.14 -0.18 0.00 0.10 0.00 0.00 66.02 63.71 2vxf s SER 43 CO -0.01 0.12 1.27 -0.26 0.98 0.00 0.00 173.24 175.33 2vxf h PHE 44 N 6.76 1.02 0.00 5.02 0.04 -1.90 -3.49 116.94 124.39 2vxf h PHE 44 Ca -0.41 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 59.89 2vxf h PHE 44 Cb 1.16 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2vxf h PHE 44 CO 0.60 1.31 0.00 0.41 -0.60 0.00 0.00 178.31 180.03 2vxf n GLY 45 N 0.80 -1.68 0.12 -1.45 0.00 -1.26 -4.99 105.19 96.73 2vxf n GLY 45 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.83 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 3.26 0.54 0.09 2.61 -2.24 -1.26 -4.31 114.28 112.96 2vxf n THR 46 Ca 0.00 -0.77 -0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2vxf n THR 46 Cb 0.00 0.76 0.30 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.46 0.29 -0.36 -0.78 5.08 -1.95 -2.79 114.58 114.55 2vxf h GLU 47 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2vxf h GLU 47 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2vxf h GLU 47 CO 0.00 0.51 0.19 0.22 -1.00 0.00 0.00 179.01 178.94 2vxf h ASP 48 N 0.27 0.42 -2.75 1.42 3.58 -1.91 -3.36 116.42 114.10 2vxf h ASP 48 Ca 0.04 -0.02 -0.56 0.00 0.42 0.00 0.00 57.03 56.91 2vxf h ASP 48 Cb 0.56 -0.11 -0.40 0.00 1.72 0.00 0.00 39.33 41.10 2vxf h ASP 48 CO 0.04 0.35 -0.81 -0.13 -2.88 0.00 0.00 179.24 175.81 2vxf s ARG 49 N -5.35 0.42 0.58 0.28 0.52 -1.05 -5.13 118.95 109.21 2vxf s ARG 49 Ca -0.08 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 53.96 2vxf s ARG 49 Cb 0.17 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 2vxf s ARG 49 CO 0.73 -1.11 1.16 -2.30 0.02 0.00 0.00 175.30 173.80 2vxf n PRO 50 N 4.62 1.22 -4.38 3.54 -0.02 -1.23 -4.89 135.00 133.86 2vxf n PRO 50 Ca 0.03 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 2vxf n PRO 50 Cb 0.39 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.40 1.36 -1.82 3.45 -4.23 -1.26 -5.03 115.64 106.71 2vxf s THR 51 Ca 0.75 -2.08 0.28 0.00 -1.18 0.00 0.00 61.69 59.46 2vxf s THR 51 Cb -0.42 -2.39 0.71 0.00 1.34 0.00 0.00 72.50 71.73 2vxf s THR 51 CO 0.47 -0.32 2.00 -0.90 -0.54 0.00 0.00 174.62 175.33 2vxf n ASP 52 N -0.50 0.00 -4.45 3.99 5.75 -1.26 -4.72 116.55 115.36 2vxf n ASP 52 Ca -0.05 -0.65 -0.33 0.00 -0.01 0.00 0.00 54.79 53.75 2vxf n ASP 52 Cb 0.64 -0.09 -0.13 0.00 -1.03 0.00 0.00 41.12 40.51 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2vxf s ARG 53 N -2.18 3.18 0.14 0.11 0.52 -1.26 -5.09 118.95 114.38 2vxf s ARG 53 Ca 0.37 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.65 2vxf s ARG 53 Cb 0.19 -2.64 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 2vxf s ARG 53 CO 0.35 0.37 1.33 -1.25 0.02 0.00 0.00 175.30 176.12 2vxf s PRO 54 N -0.03 4.36 -0.04 3.54 0.04 -1.26 -5.03 135.00 136.58 2vxf s PRO 54 Ca -0.02 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2vxf s PRO 54 Cb -0.14 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2vxf s PRO 54 CO 0.03 -0.33 -0.23 0.42 0.04 0.00 0.00 177.00 176.93 2vxf s ILE 55 N 0.68 1.84 0.17 0.56 -1.09 -1.26 -5.14 121.20 116.96 2vxf s ILE 55 Ca 0.60 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 58.01 2vxf s ILE 55 Cb -0.36 -1.55 -0.06 0.00 -1.58 0.00 0.00 42.46 38.91 2vxf s ILE 55 CO 0.33 0.52 0.42 0.00 -1.23 0.00 0.00 174.94 174.98 2vxf s ALA 56 N -0.22 3.74 0.51 9.38 0.00 -1.26 -5.04 121.76 128.87 2vxf s ALA 56 Ca -0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 2vxf s ALA 56 Cb -0.12 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 2vxf s ALA 56 CO 0.02 0.60 1.16 -1.25 0.00 0.00 0.00 175.76 176.30 2vxf s PRO 57 N -2.78 3.51 -0.07 0.00 0.04 -1.26 -5.05 135.00 129.38 2vxf s PRO 57 Ca 0.42 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2vxf s PRO 57 Cb -0.12 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.26 2vxf s PRO 57 CO 0.25 -0.75 0.42 -0.98 0.04 0.00 0.00 177.00 175.97 2vxf s ARG 58 N -2.99 0.68 -0.23 4.56 1.70 -1.26 -5.06 118.95 116.35 2vxf s ARG 58 Ca 0.69 0.16 0.10 0.00 -0.47 0.00 0.00 55.73 56.20 2vxf s ARG 58 Cb -0.27 0.32 0.43 0.00 -0.57 0.00 0.00 34.95 34.85 2vxf s ARG 58 CO 0.32 -0.17 1.21 -0.25 -1.08 0.00 0.00 175.30 175.33 2vxf n ASP 59 N 1.74 2.67 -4.88 -2.89 8.00 -1.26 -5.02 116.55 114.91 2vxf n ASP 59 Ca -0.18 -3.82 -0.34 0.00 0.71 0.00 0.00 54.79 51.16 2vxf n ASP 59 Cb 0.56 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 2vxf n ASP 59 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2vxf s GLU 60 N -3.30 3.62 -0.02 -1.24 2.12 -1.26 -5.09 118.70 113.53 2vxf s GLU 60 Ca 0.42 -0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 2vxf s GLU 60 Cb 0.38 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2vxf s GLU 60 CO -0.04 0.60 0.11 0.99 -0.54 0.00 0.00 175.26 176.38 2vxf s THR 61 N -1.39 4.95 -0.21 -1.70 2.01 -1.26 -4.80 115.64 113.24 2vxf s THR 61 Ca 0.31 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2vxf s THR 61 Cb -0.13 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2vxf s THR 61 CO 0.19 0.38 0.10 -0.36 -0.69 0.00 0.00 174.62 174.24 2vxf s PHE 62 N -1.20 3.29 0.12 4.92 0.40 -0.86 -4.99 117.98 119.66 2vxf s PHE 62 Ca 0.23 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.56 2vxf s PHE 62 Cb -0.12 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2vxf s PHE 62 CO 0.14 0.13 1.49 0.93 0.70 0.00 0.00 175.22 178.61 2vxf h GLU 63 N 7.01 0.74 -2.67 0.44 5.08 -1.94 -2.70 114.58 120.55 2vxf h GLU 63 Ca -0.38 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 57.52 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 0.93 -0.42 -0.47 -1.00 0.00 0.00 179.01 178.75 2vxf s TYR 64 N -4.64 -0.63 0.05 4.33 6.14 -1.26 -2.16 117.35 119.17 2vxf s TYR 64 Ca -0.12 1.28 0.05 0.00 0.64 0.00 0.00 57.07 58.92 2vxf s TYR 64 Cb 0.10 0.18 -0.02 0.00 0.42 0.00 0.00 41.96 42.63 2vxf s TYR 64 CO 0.82 -0.41 -0.13 0.42 0.64 0.00 0.00 175.55 176.89 2vxf s ILE 65 N 2.32 1.04 -0.08 3.14 1.01 -0.94 -5.03 121.20 122.66 2vxf s ILE 65 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2vxf s ILE 65 Cb -0.11 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2vxf s ILE 65 CO -0.11 -0.10 -0.07 -0.63 0.00 0.00 0.00 174.94 174.03 2vxf s ILE 66 N -1.02 3.69 0.00 2.92 1.01 -1.26 -2.26 121.20 124.29 2vxf s ILE 66 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2vxf s ILE 66 Cb -0.09 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2vxf s ILE 66 CO 0.01 0.58 -0.14 -0.36 0.00 0.00 0.00 174.94 175.03 2vxf s PHE 67 N -0.57 1.25 0.13 3.97 0.08 -0.96 -5.04 117.98 116.84 2vxf s PHE 67 Ca 0.09 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 56.93 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 -0.00 0.03 1.03 -0.10 0.00 0.00 175.22 176.19 2vxf s ARG 68 N -0.54 2.58 0.58 0.44 0.52 -1.26 -2.16 118.95 119.11 2vxf s ARG 68 Ca 0.04 -0.92 0.28 0.00 -0.52 0.00 0.00 55.73 54.62 2vxf s ARG 68 Cb -0.06 -2.51 1.62 0.00 0.52 0.00 0.00 34.95 34.52 2vxf s ARG 68 CO -0.00 0.51 2.08 0.78 0.02 0.00 0.00 175.30 178.69 2vxf h GLY 69 N 3.04 0.00 0.83 -3.53 0.00 -1.82 -2.17 103.07 99.42 2vxf h GLY 69 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2vxf h GLY 69 CO 0.60 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.87 2vxf h SER 70 N 0.00 0.42 0.76 0.19 0.02 -1.94 -3.26 113.55 109.74 2vxf h SER 70 Ca 0.10 -0.34 -0.25 0.00 -0.84 0.00 0.00 61.79 60.46 2vxf h SER 70 Cb 0.55 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2vxf h SER 70 CO -0.00 0.66 -1.24 -2.24 -1.14 0.00 0.00 176.83 172.88 2vxf h ASP 71 N 0.17 0.16 -3.90 3.07 2.03 -1.83 -3.46 116.42 112.66 2vxf h ASP 71 Ca 0.06 -0.19 -0.53 0.00 -0.73 0.00 0.00 57.03 55.64 2vxf h ASP 71 Cb 0.47 -0.05 0.07 0.00 -0.83 0.00 0.00 39.33 38.99 2vxf h ASP 71 CO 0.02 1.15 0.65 -0.63 -1.03 0.00 0.00 179.24 179.40 2vxf s ILE 72 N -2.67 2.61 -0.26 4.15 1.01 -0.87 -1.64 121.20 123.54 2vxf s ILE 72 Ca -0.03 0.60 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 2vxf s ILE 72 Cb 0.09 -3.38 -0.15 0.00 0.01 0.00 0.00 42.46 39.02 2vxf s ILE 72 CO 0.84 0.13 -0.25 1.17 0.00 0.00 0.00 174.94 176.83 2vxf n LYS 73 N 0.62 0.61 -3.83 2.79 4.81 -0.22 -4.84 118.16 118.11 2vxf n LYS 73 Ca 0.01 0.17 -0.12 0.00 -0.87 0.00 0.00 58.31 57.50 2vxf n LYS 73 Cb 0.42 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 33.87 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 -6.65 -0.11 -0.07 3.14 -1.08 -1.13 -5.03 116.67 105.74 2vxf s ASP 74 Ca -0.35 0.13 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 2vxf s ASP 74 Cb 0.10 0.32 0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2vxf s ASP 74 CO 0.56 -0.21 -0.11 -0.22 0.52 0.00 0.00 175.17 175.70 2vxf s LEU 75 N -0.58 1.56 -0.03 -1.34 0.20 -1.26 -1.88 118.68 115.35 2vxf s LEU 75 Ca -0.07 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.50 2vxf s LEU 75 Cb -0.04 -0.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.92 2vxf s LEU 75 CO 0.01 0.01 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.06 2vxf s THR 76 N 0.83 1.07 -0.01 3.68 2.01 -0.94 -5.05 115.64 117.22 2vxf s THR 76 Ca -0.12 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2vxf s THR 76 Cb -0.15 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2vxf s THR 76 CO 0.02 0.32 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 2vxf s VAL 77 N 0.03 4.05 -0.03 3.82 1.01 -1.26 -1.79 120.40 126.23 2vxf s VAL 77 Ca -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2vxf s VAL 77 Cb -0.09 -2.78 -0.28 0.00 0.00 0.00 0.00 36.38 33.23 2vxf s VAL 77 CO 0.01 0.41 0.73 0.00 0.00 0.00 0.00 175.10 176.24 2vxf s GLU 79 N -2.60 3.98 0.68 0.00 0.41 -1.26 -5.04 118.70 114.86 2vxf s GLU 79 Ca -0.12 0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 55.01 2vxf s GLU 79 Cb 0.06 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2vxf s GLU 79 CO 0.84 0.03 1.13 -1.25 -0.49 0.00 0.00 175.26 175.52 2vxf s PRO 80 N -3.35 2.64 0.79 0.39 0.04 -1.26 -4.99 135.00 129.26 2vxf s PRO 80 Ca 0.55 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2vxf s PRO 80 Cb -0.10 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.59 2vxf s PRO 80 CO 0.22 -1.39 1.17 -2.14 0.04 0.00 0.00 177.00 174.89 2vxf s PRO 81 N -4.04 1.85 0.41 0.56 0.02 -1.26 -4.94 135.00 127.60 2vxf s PRO 81 Ca 0.69 1.59 -0.19 0.00 0.02 0.00 0.00 61.00 63.11 2vxf s PRO 81 Cb -0.23 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 2vxf s PRO 81 CO 0.42 -2.02 0.90 0.21 -0.33 0.00 0.00 177.00 176.18 2vxf s LYS 82 N -4.28 4.16 0.73 5.54 2.20 -1.26 -5.00 119.74 121.83 2vxf s LYS 82 Ca 0.70 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 57.15 2vxf s LYS 82 Cb -0.25 -2.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2vxf s LYS 82 CO 0.50 0.00 1.23 -2.14 -0.36 0.00 0.00 175.35 174.59 2vxf s PRO 83 N -3.18 2.09 -0.06 4.03 0.02 -1.26 -4.97 135.00 131.67 2vxf s PRO 83 Ca 0.60 1.84 0.08 0.00 0.02 0.00 0.00 61.00 63.54 2vxf s PRO 83 Cb -0.09 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 2vxf s PRO 83 CO 0.15 -1.89 0.09 0.44 -0.33 0.00 0.00 177.00 175.45 2vxf n ILE 84 N -2.69 0.39 1.22 2.83 -5.35 -1.26 -5.20 119.36 109.30 2vxf n ILE 84 Ca 0.14 -0.31 0.13 0.00 -0.27 0.00 0.00 62.75 62.43 2vxf n ILE 84 Cb 0.50 -0.41 0.29 0.00 -1.74 0.00 0.00 39.64 38.27 2vxf n ILE 84 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02