#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 3.59 0.49 3.23 2.12 -1.26 -5.08 118.70 121.79 2vxf s GLU -1 Ca 0.00 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 54.96 2vxf s GLU -1 Cb 0.00 -2.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.50 2vxf s GLU -1 CO 0.00 0.39 1.04 0.34 -0.54 0.00 0.00 175.26 176.49 2vxf s ASP 0 N -2.84 6.34 0.38 -1.70 2.15 -1.26 -4.85 116.67 114.89 2vxf s ASP 0 Ca 0.41 1.93 0.05 0.00 0.43 0.00 0.00 52.55 55.37 2vxf s ASP 0 Cb -0.11 -2.56 0.77 0.00 -0.30 0.00 0.00 42.92 40.71 2vxf s ASP 0 CO 0.27 -0.78 2.02 -0.65 -0.17 0.00 0.00 175.17 175.86 2vxf h PRO 1 N 1.56 0.61 -0.26 4.34 0.11 -1.98 0.15 132.00 136.53 2vxf h PRO 1 Ca -0.49 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 2vxf h PRO 1 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2vxf h PRO 1 CO 0.59 0.44 -0.40 0.66 -0.21 0.00 0.00 178.00 179.08 2vxf h SER 2 N 0.63 0.66 0.52 -2.05 4.64 -1.92 -2.04 113.55 113.99 2vxf h SER 2 Ca 0.16 -0.29 -0.25 0.00 -0.47 0.00 0.00 61.79 60.94 2vxf h SER 2 Cb -0.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2vxf h SER 2 CO -0.03 0.98 -1.12 1.23 -0.87 0.00 0.00 176.83 177.02 2vxf h GLY 3 N 1.02 0.36 1.68 -0.77 0.00 -1.77 -3.26 103.07 100.33 2vxf h GLY 3 Ca 0.04 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 2vxf h GLY 3 CO 0.08 0.69 -0.27 -1.33 0.00 0.00 0.00 176.54 175.71 2vxf h GLY 4 N 1.46 0.40 -5.65 4.60 0.00 -0.65 -3.41 103.07 99.81 2vxf h GLY 4 Ca -0.11 -0.32 -0.59 0.00 0.00 0.00 0.00 47.33 46.31 2vxf h GLY 4 CO 0.19 0.30 0.32 -1.59 0.00 0.00 0.00 176.54 175.75 2vxf s THR 5 N -4.44 4.92 0.58 4.70 2.01 -0.78 -5.03 115.64 117.59 2vxf s THR 5 Ca -0.06 1.48 -0.20 0.00 0.31 0.00 0.00 61.69 63.22 2vxf s THR 5 Cb 0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2vxf s THR 5 CO 0.77 0.03 1.24 -2.84 -0.69 0.00 0.00 174.62 173.14 2vxf s PRO 6 N 2.20 3.03 0.33 4.92 0.02 -1.26 -4.90 135.00 139.34 2vxf s PRO 6 Ca 0.35 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.31 2vxf s PRO 6 Cb -0.16 -2.02 0.58 0.00 0.02 0.00 0.00 34.50 32.92 2vxf s PRO 6 CO 0.11 -1.19 1.89 -0.92 -0.33 0.00 0.00 177.00 176.56 2vxf h TYR 7 N 1.05 0.64 -3.66 6.54 3.20 -1.95 -3.43 116.97 119.37 2vxf h TYR 7 Ca -0.50 -0.05 -0.53 0.00 3.14 0.00 0.00 58.73 60.79 2vxf h TYR 7 Cb 1.30 -0.19 0.07 0.00 1.54 0.00 0.00 36.73 39.45 2vxf h TYR 7 CO 0.46 0.56 0.72 0.42 -1.64 0.00 0.00 178.16 178.69 2vxf s ILE 8 N -5.14 2.55 0.00 1.81 1.01 -1.26 -2.18 121.20 117.98 2vxf s ILE 8 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2vxf s ILE 8 Cb 0.16 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2vxf s ILE 8 CO 0.77 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2vxf n GLY 9 N 1.39 0.59 3.90 6.18 0.00 -0.69 -5.03 105.19 111.52 2vxf n GLY 9 Ca 0.03 0.00 -0.28 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 -2.86 6.41 0.00 1.61 0.01 -0.93 -4.81 113.70 113.13 2vxf s SER 10 Ca 0.00 0.80 -0.24 0.00 1.31 0.00 0.00 55.95 57.82 2vxf s SER 10 Cb 0.00 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 2vxf s SER 10 CO 0.00 -0.31 0.72 -0.75 0.41 0.00 0.00 173.24 173.30 2vxf s LYS 11 N -3.91 4.44 0.08 12.44 2.20 -1.26 -1.80 119.74 131.93 2vxf s LYS 11 Ca 0.45 0.95 0.03 0.00 -0.36 0.00 0.00 55.97 57.05 2vxf s LYS 11 Cb -0.10 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2vxf s LYS 11 CO 0.33 0.23 -0.10 0.42 -0.36 0.00 0.00 175.35 175.88 2vxf s ILE 12 N 0.19 0.83 -0.10 5.43 1.01 -0.83 -2.61 121.20 125.13 2vxf s ILE 12 Ca 0.37 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.53 2vxf s ILE 12 Cb -0.19 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2vxf s ILE 12 CO 0.20 -0.53 -0.17 -0.55 0.00 0.00 0.00 174.94 173.90 2vxf s SER 13 N -2.25 3.73 -0.12 3.58 0.15 -0.65 -2.66 113.70 115.49 2vxf s SER 13 Ca 0.02 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.32 2vxf s SER 13 Cb -0.04 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 2vxf s SER 13 CO -0.00 0.21 -0.18 -0.22 1.20 0.00 0.00 173.24 174.25 2vxf s LEU 14 N 0.07 2.46 -0.26 3.45 2.96 -0.40 -2.23 118.68 124.72 2vxf s LEU 14 Ca -0.07 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2vxf s LEU 14 Cb -0.15 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2vxf s LEU 14 CO 0.05 0.17 0.08 -0.63 -1.32 0.00 0.00 176.35 174.70 2vxf s ILE 15 N 0.32 4.31 0.58 6.68 1.01 -0.64 -1.84 121.20 131.61 2vxf s ILE 15 Ca -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2vxf s ILE 15 Cb -0.17 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.30 2vxf s ILE 15 CO 0.07 0.29 0.81 -0.44 0.00 0.00 0.00 174.94 175.67 2vxf s SER 16 N 1.60 5.14 0.57 3.58 0.01 -1.08 -0.99 113.70 122.54 2vxf s SER 16 Ca 0.06 -0.03 0.38 0.00 1.31 0.00 0.00 55.95 57.67 2vxf s SER 16 Cb -0.15 -0.79 2.04 0.00 0.21 0.00 0.00 66.02 67.33 2vxf s SER 16 CO 0.04 -1.25 2.16 0.50 0.41 0.00 0.00 173.24 175.10 2vxf h LYS 17 N -0.04 0.00 -0.63 12.44 3.64 -1.69 -1.53 116.57 128.76 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 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 2vxf n ALA 18 N -2.00 2.89 -2.28 5.00 0.00 -1.26 -4.89 120.51 117.98 2vxf n ALA 18 Ca -0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 53.44 52.42 2vxf n ALA 18 Cb 0.07 -1.03 -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 0.40 -1.75 -4.07 0.00 1.02 -0.57 -4.98 120.64 110.68 2vxf n GLU 19 Ca 0.13 0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 57.91 2vxf n GLU 19 Cb 0.55 -5.56 -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 -2.90 4.60 -0.25 -3.67 1.01 -1.26 -4.47 121.20 114.25 2vxf s ILE 20 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 2vxf s ILE 20 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2vxf s ILE 20 CO 0.00 0.21 0.05 -0.60 0.00 0.00 0.00 174.94 174.60 2vxf s ARG 21 N -2.16 3.49 -0.09 2.79 3.52 -1.26 -2.62 118.95 122.62 2vxf s ARG 21 Ca 0.27 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 2vxf s ARG 21 Cb -0.12 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2vxf s ARG 21 CO 0.19 -0.24 -0.07 0.71 -0.81 0.00 0.00 175.30 175.08 2vxf s TYR 22 N 1.57 2.95 -0.01 5.12 2.02 -0.77 -2.40 117.35 125.83 2vxf s TYR 22 Ca 0.06 -0.08 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 2vxf s TYR 22 Cb -0.15 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2vxf s TYR 22 CO 0.02 0.22 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.98 2vxf s GLU 23 N -0.51 2.11 0.23 -0.62 -6.30 -0.95 -1.28 118.70 111.39 2vxf s GLU 23 Ca 0.08 -0.93 -0.17 0.00 -2.50 0.00 0.00 54.97 51.44 2vxf s GLU 23 Cb -0.12 -2.07 0.06 0.00 0.00 0.00 0.00 34.13 32.00 2vxf s GLU 23 CO 0.02 0.56 0.86 0.41 0.02 0.00 0.00 175.26 177.13 2vxf n GLY 24 N 2.31 0.81 3.61 -1.50 0.00 -1.09 -1.63 105.19 107.70 2vxf n GLY 24 Ca -0.16 -1.16 -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 4.23 -0.28 -0.61 -1.09 -1.06 -1.96 121.20 118.31 2vxf s ILE 25 Ca 0.18 -0.26 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 2vxf s ILE 25 Cb -0.03 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2vxf s ILE 25 CO 0.07 0.55 2.12 -0.22 -1.23 0.00 0.00 174.94 176.22 2vxf s LEU 26 N -0.28 3.45 -0.19 2.97 2.96 -0.75 -2.55 118.68 124.28 2vxf s LEU 26 Ca 0.06 1.64 -0.19 0.00 -0.22 0.00 0.00 54.13 55.42 2vxf s LEU 26 Cb -0.12 -3.42 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 2vxf s LEU 26 CO 0.02 -1.98 0.16 0.22 -1.32 0.00 0.00 176.35 173.45 2vxf h TYR 27 N 14.87 0.00 -3.42 5.38 3.20 -1.83 -1.85 116.97 133.32 2vxf h TYR 27 Ca -0.37 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.33 2vxf h TYR 27 Cb 1.22 0.00 -0.24 0.00 1.54 0.00 0.00 36.73 39.25 2vxf h TYR 27 CO 0.95 1.16 -0.52 0.95 -1.64 0.00 0.00 178.16 179.06 2vxf s THR 28 N -2.32 0.04 -0.16 1.81 -4.23 -1.11 -4.81 115.64 104.86 2vxf s THR 28 Ca -0.25 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2vxf s THR 28 Cb 0.05 -0.31 -0.00 0.00 1.34 0.00 0.00 72.50 73.57 2vxf s THR 28 CO 0.51 -0.16 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.65 2vxf s ILE 29 N -0.53 2.65 -0.50 2.99 1.01 -1.26 -2.17 121.20 123.38 2vxf s ILE 29 Ca -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 2vxf s ILE 29 Cb -0.04 -2.12 0.13 0.00 0.01 0.00 0.00 42.46 40.45 2vxf s ILE 29 CO 0.01 0.52 0.31 -0.62 0.00 0.00 0.00 174.94 175.16 2vxf s ASP 30 N 0.82 5.32 0.19 3.58 -1.08 -0.83 -4.95 116.67 119.73 2vxf s ASP 30 Ca -0.05 -2.33 -0.04 0.00 -0.52 0.00 0.00 52.55 49.61 2vxf s ASP 30 Cb -0.15 -1.86 0.11 0.00 -1.46 0.00 0.00 42.92 39.55 2vxf s ASP 30 CO -0.00 -0.50 1.52 0.74 0.52 0.00 0.00 175.17 177.45 2vxf h THR 31 N 5.92 1.31 -0.07 1.71 2.02 -1.98 -2.43 112.91 119.39 2vxf h THR 31 Ca -0.09 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.39 2vxf h THR 31 Cb 1.01 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2vxf h THR 31 CO 0.72 0.54 0.05 -0.33 0.37 0.00 0.00 175.52 176.87 2vxf h GLU 32 N 0.49 0.00 -0.16 6.66 5.08 -1.94 -2.03 114.58 122.68 2vxf h GLU 32 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2vxf h GLU 32 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2vxf h GLU 32 CO 0.10 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 2vxf n ASN 33 N -4.41 2.73 -3.92 1.42 3.02 -1.22 -4.99 115.26 107.89 2vxf n ASN 33 Ca -0.01 -2.43 -0.26 0.00 -0.03 0.00 0.00 54.58 51.85 2vxf n ASN 33 Cb 0.16 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.39 -1.26 -4.13 6.41 2.88 -0.77 -4.88 113.62 111.48 2vxf n SER 34 Ca 0.11 -0.94 -0.17 0.00 -1.33 0.00 0.00 58.87 56.53 2vxf n SER 34 Cb 0.51 -3.33 -0.12 0.00 -0.75 0.00 0.00 64.21 60.52 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 -3.76 0.95 -0.01 2.46 -4.23 -0.92 -2.35 115.64 107.77 2vxf s THR 35 Ca 0.15 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2vxf s THR 35 Cb -0.08 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 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 -1.13 0.94 -0.14 2.29 1.01 -0.91 -1.96 120.40 120.50 2vxf s VAL 36 Ca -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2vxf s VAL 36 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2vxf s VAL 36 CO 0.01 0.27 -0.11 0.00 0.00 0.00 0.00 175.10 175.28 2vxf s ALA 37 N -0.20 2.70 -0.06 5.51 0.00 -0.92 -2.28 121.76 126.50 2vxf s ALA 37 Ca 0.03 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2vxf s ALA 37 Cb -0.05 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2vxf s ALA 37 CO -0.00 0.16 -0.19 -0.51 0.00 0.00 0.00 175.76 175.22 2vxf s LEU 38 N 0.49 2.43 0.30 0.00 1.43 -0.98 -2.44 118.68 119.91 2vxf s LEU 38 Ca -0.08 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2vxf s LEU 38 Cb -0.15 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 2vxf s LEU 38 CO 0.04 0.28 0.02 0.00 0.23 0.00 0.00 176.35 176.91 2vxf s ALA 39 N -0.33 3.22 -1.13 4.21 0.00 -1.06 -2.17 121.76 124.50 2vxf s ALA 39 Ca 0.02 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.02 2vxf s ALA 39 Cb -0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2vxf s ALA 39 CO 0.02 0.17 0.81 1.17 0.00 0.00 0.00 175.76 177.93 2vxf n LYS 40 N -0.95 -1.52 -4.60 0.00 4.81 -0.82 -2.55 118.16 112.54 2vxf n LYS 40 Ca -0.05 0.54 -0.28 0.00 -0.87 0.00 0.00 58.31 57.65 2vxf n LYS 40 Cb 0.60 -4.47 -0.14 0.00 0.02 0.00 0.00 35.03 31.05 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 2.03 0.04 3.15 0.11 -1.02 -4.15 120.40 117.11 2vxf s VAL 41 Ca 0.46 -1.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 2vxf s VAL 41 Cb -0.14 -1.78 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 2vxf s VAL 41 CO 0.84 0.18 -0.06 -0.60 -3.33 0.00 0.00 175.10 172.13 2vxf s ARG 42 N -1.60 0.48 -0.16 1.54 3.52 -0.65 -2.07 118.95 120.02 2vxf s ARG 42 Ca 0.11 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 2vxf s ARG 42 Cb -0.10 -0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.10 2vxf s ARG 42 CO 0.04 0.01 0.30 -1.54 -0.81 0.00 0.00 175.30 173.30 2vxf s SER 43 N -1.66 6.45 0.13 -2.12 1.04 -1.26 -2.23 113.70 114.05 2vxf s SER 43 Ca -0.10 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 2vxf s SER 43 Cb -0.09 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.79 2vxf s SER 43 CO -0.01 0.10 1.45 -0.26 0.98 0.00 0.00 173.24 175.50 2vxf h PHE 44 N 6.65 1.10 0.00 5.02 0.04 -1.88 -3.46 116.94 124.42 2vxf h PHE 44 Ca -0.41 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.01 2vxf h PHE 44 Cb 1.17 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2vxf h PHE 44 CO 0.60 1.17 0.00 0.41 -0.60 0.00 0.00 178.31 179.90 2vxf n GLY 45 N 0.20 1.27 0.00 -1.45 0.00 -1.26 -5.03 105.19 98.92 2vxf n GLY 45 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.23 2.61 -2.24 -1.26 -4.31 114.28 108.70 2vxf n THR 46 Ca 0.00 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.53 2vxf n THR 46 Cb 0.00 0.81 0.56 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.00 0.00 -0.22 -0.78 5.08 -1.95 -2.30 114.58 114.41 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 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2vxf h GLU 47 CO 0.00 0.17 0.15 0.22 -1.00 0.00 0.00 179.01 178.54 2vxf h ASP 48 N 0.00 0.25 -3.79 1.42 1.82 -1.93 -3.32 116.42 110.86 2vxf h ASP 48 Ca -0.00 -0.01 -0.63 0.00 -0.39 0.00 0.00 57.03 56.00 2vxf h ASP 48 Cb 0.31 -0.06 -0.40 0.00 0.68 0.00 0.00 39.33 39.86 2vxf h ASP 48 CO 0.02 0.18 -0.70 -0.13 -1.61 0.00 0.00 179.24 177.00 2vxf s ARG 49 N -5.30 1.49 0.27 0.28 1.81 -0.86 -5.10 118.95 111.54 2vxf s ARG 49 Ca -0.07 -2.01 -0.30 0.00 -1.72 0.00 0.00 55.73 51.63 2vxf s ARG 49 Cb 0.17 -2.91 -0.11 0.00 -0.45 0.00 0.00 34.95 31.65 2vxf s ARG 49 CO 0.70 -1.04 1.56 -1.25 -0.68 0.00 0.00 175.30 174.59 2vxf s PRO 50 N 0.54 4.17 0.21 3.54 0.04 -1.25 -4.94 135.00 137.30 2vxf s PRO 50 Ca 0.14 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.70 2vxf s PRO 50 Cb -0.22 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 2vxf s PRO 50 CO -0.07 -0.58 -0.00 0.95 0.04 0.00 0.00 177.00 177.35 2vxf s THR 51 N 0.11 0.90 -1.85 1.26 -4.23 -1.26 -5.03 115.64 105.54 2vxf s THR 51 Ca 0.63 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.41 2vxf s THR 51 Cb -0.46 -2.26 0.73 0.00 1.34 0.00 0.00 72.50 71.85 2vxf s THR 51 CO 0.45 -0.38 2.02 -0.90 -0.54 0.00 0.00 174.62 175.27 2vxf n ASP 52 N -0.35 0.00 -4.11 3.99 5.75 -1.26 -4.54 116.55 116.03 2vxf n ASP 52 Ca -0.06 -0.69 -0.34 0.00 -0.01 0.00 0.00 54.79 53.70 2vxf n ASP 52 Cb 0.64 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2vxf s ARG 53 N -2.15 2.16 0.28 0.11 3.52 -1.26 -5.09 118.95 116.52 2vxf s ARG 53 Ca 0.38 -1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.22 2vxf s ARG 53 Cb 0.19 -3.15 -0.11 0.00 -1.56 0.00 0.00 34.95 30.32 2vxf s ARG 53 CO 0.35 -0.72 1.60 -2.14 -0.81 0.00 0.00 175.30 173.59 2vxf s PRO 54 N 1.13 4.13 0.00 5.12 0.02 -1.26 -5.01 135.00 139.13 2vxf s PRO 54 Ca -0.02 2.57 0.08 0.00 0.02 0.00 0.00 61.00 63.65 2vxf s PRO 54 Cb -0.20 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2vxf s PRO 54 CO -0.04 -0.64 -0.25 0.42 -0.33 0.00 0.00 177.00 176.16 2vxf s ILE 55 N 0.15 2.15 -0.40 2.83 -1.09 -1.26 -5.11 121.20 118.48 2vxf s ILE 55 Ca 0.65 -1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 2vxf s ILE 55 Cb -0.48 -1.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 2vxf s ILE 55 CO 0.46 0.50 0.27 0.00 -1.23 0.00 0.00 174.94 174.93 2vxf s ALA 56 N -0.69 3.40 0.53 9.38 0.00 -1.26 -4.94 121.76 128.18 2vxf s ALA 56 Ca 0.11 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 2vxf s ALA 56 Cb -0.10 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 2vxf s ALA 56 CO 0.00 -1.44 1.30 -2.14 0.00 0.00 0.00 175.76 173.48 2vxf s PRO 57 N 1.63 3.29 -0.06 0.00 0.02 -1.26 -5.03 135.00 133.59 2vxf s PRO 57 Ca 0.04 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.20 2vxf s PRO 57 Cb -0.19 -2.28 -0.00 0.00 0.02 0.00 0.00 34.50 32.04 2vxf s PRO 57 CO 0.09 -1.03 -0.20 1.03 -0.33 0.00 0.00 177.00 176.56 2vxf s ARG 58 N -2.87 2.24 0.28 5.54 1.81 -1.26 -5.02 118.95 119.67 2vxf s ARG 58 Ca 0.70 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 54.03 2vxf s ARG 58 Cb -0.37 -1.85 0.40 0.00 -0.45 0.00 0.00 34.95 32.68 2vxf s ARG 58 CO 0.44 0.24 1.68 0.22 -0.68 0.00 0.00 175.30 177.20 2vxf h ASP 59 N 6.37 0.35 -4.21 0.23 1.82 -1.97 -3.45 116.42 115.57 2vxf h ASP 59 Ca -0.29 -0.14 -0.51 0.00 -0.39 0.00 0.00 57.03 55.69 2vxf h ASP 59 Cb 1.19 -0.10 0.12 0.00 0.68 0.00 0.00 39.33 41.22 2vxf h ASP 59 CO 0.47 0.71 0.37 -1.61 -1.61 0.00 0.00 179.24 177.57 2vxf s GLU 60 N -4.19 2.57 0.26 0.28 2.02 -1.26 -5.04 118.70 113.34 2vxf s GLU 60 Ca -0.05 1.45 0.06 0.00 0.02 0.00 0.00 54.97 56.45 2vxf s GLU 60 Cb 0.13 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 2vxf s GLU 60 CO 0.78 -1.44 0.30 0.99 0.02 0.00 0.00 175.26 175.92 2vxf s THR 61 N -2.32 4.64 -0.16 3.63 2.01 -1.26 -4.93 115.64 117.24 2vxf s THR 61 Ca 0.68 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 2vxf s THR 61 Cb -0.22 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2vxf s THR 61 CO 0.44 -0.31 0.10 -0.36 -0.69 0.00 0.00 174.62 173.80 2vxf s PHE 62 N -2.09 3.37 0.19 4.92 0.08 -0.88 -4.98 117.98 118.60 2vxf s PHE 62 Ca 0.35 0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.60 2vxf s PHE 62 Cb -0.08 -2.04 0.10 0.00 -0.57 0.00 0.00 43.02 40.42 2vxf s PHE 62 CO 0.27 0.36 1.61 0.93 -0.10 0.00 0.00 175.22 178.29 2vxf h GLU 63 N 6.14 0.92 -2.53 0.44 5.08 -1.94 -2.69 114.58 120.00 2vxf h GLU 63 Ca -0.44 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 57.46 2vxf h GLU 63 Cb 1.18 -0.05 -0.27 0.00 0.50 0.00 0.00 28.75 30.11 2vxf h GLU 63 CO 0.68 1.02 -0.35 -0.47 -1.00 0.00 0.00 179.01 178.89 2vxf s TYR 64 N -4.73 -0.77 0.05 4.33 6.14 -1.26 -1.94 117.35 119.18 2vxf s TYR 64 Ca -0.11 1.49 0.05 0.00 0.64 0.00 0.00 57.07 59.15 2vxf s TYR 64 Cb 0.13 0.31 -0.02 0.00 0.42 0.00 0.00 41.96 42.79 2vxf s TYR 64 CO 0.85 -0.46 -0.15 0.42 0.64 0.00 0.00 175.55 176.86 2vxf s ILE 65 N 2.37 1.18 -0.08 3.14 1.01 -0.92 -5.03 121.20 122.86 2vxf s ILE 65 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2vxf s ILE 65 Cb -0.11 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 2vxf s ILE 65 CO -0.13 -0.05 -0.07 -0.63 0.00 0.00 0.00 174.94 174.06 2vxf s ILE 66 N -0.98 3.63 0.01 2.92 1.01 -1.26 -2.32 121.20 124.22 2vxf s ILE 66 Ca 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.21 2vxf s ILE 66 Cb -0.09 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2vxf s ILE 66 CO 0.02 0.58 -0.14 -0.36 0.00 0.00 0.00 174.94 175.03 2vxf s PHE 67 N -0.55 1.26 0.13 3.97 0.08 -0.97 -5.04 117.98 116.87 2vxf s PHE 67 Ca 0.08 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.90 2vxf s PHE 67 Cb -0.12 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 2vxf s PHE 67 CO 0.02 0.01 -0.02 1.03 -0.10 0.00 0.00 175.22 176.16 2vxf s ARG 68 N -0.71 2.42 0.58 0.44 0.52 -1.26 -2.13 118.95 118.81 2vxf s ARG 68 Ca 0.04 -0.99 0.28 0.00 -0.52 0.00 0.00 55.73 54.54 2vxf s ARG 68 Cb -0.07 -2.42 1.65 0.00 0.52 0.00 0.00 34.95 34.63 2vxf s ARG 68 CO 0.00 0.50 2.12 0.78 0.02 0.00 0.00 175.30 178.71 2vxf h GLY 69 N 3.12 0.00 1.42 -3.53 0.00 -1.81 -1.74 103.07 100.52 2vxf h GLY 69 Ca -0.48 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2vxf h GLY 69 CO 0.58 0.00 -0.17 1.48 0.00 0.00 0.00 176.54 178.42 2vxf h SER 70 N 0.00 0.68 0.34 0.19 4.64 -1.95 -3.23 113.55 114.22 2vxf h SER 70 Ca 0.08 -0.22 -0.32 0.00 -0.47 0.00 0.00 61.79 60.87 2vxf h SER 70 Cb 0.43 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 2vxf h SER 70 CO -0.00 0.86 -1.92 -0.90 -0.87 0.00 0.00 176.83 174.01 2vxf n ASP 71 N -4.14 0.63 -4.77 4.97 5.68 -0.72 -4.91 116.55 113.29 2vxf n ASP 71 Ca 0.01 0.29 -0.41 0.00 -0.50 0.00 0.00 54.79 54.18 2vxf n ASP 71 Cb 0.39 0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 2vxf n ASP 71 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2vxf s ILE 72 N -2.57 2.39 -0.25 2.12 1.01 -0.82 -1.87 121.20 121.22 2vxf s ILE 72 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2vxf s ILE 72 Cb 0.07 -3.23 -0.18 0.00 0.01 0.00 0.00 42.46 39.13 2vxf s ILE 72 CO 0.82 0.08 -0.17 1.17 0.00 0.00 0.00 174.94 176.85 2vxf n LYS 73 N 1.17 0.66 -3.72 2.79 4.81 -0.16 -4.82 118.16 118.88 2vxf n LYS 73 Ca 0.03 0.17 -0.14 0.00 -0.87 0.00 0.00 58.31 57.50 2vxf n LYS 73 Cb 0.40 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 33.83 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 -6.63 -0.29 -0.03 3.14 2.15 -1.11 -5.03 116.67 108.88 2vxf s ASP 74 Ca -0.34 0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.89 2vxf s ASP 74 Cb 0.09 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 2vxf s ASP 74 CO 0.61 -0.47 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.84 2vxf s LEU 75 N -1.24 1.76 0.01 -1.34 2.96 -1.26 -1.62 118.68 117.94 2vxf s LEU 75 Ca -0.13 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2vxf s LEU 75 Cb -0.04 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2vxf s LEU 75 CO 0.05 0.06 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.15 2vxf s THR 76 N 0.25 0.75 -0.01 3.68 2.01 -0.95 -5.04 115.64 116.33 2vxf s THR 76 Ca -0.04 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2vxf s THR 76 Cb -0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2vxf s THR 76 CO 0.01 0.05 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.28 2vxf s VAL 77 N -0.55 4.11 -0.17 3.82 1.01 -1.26 -1.63 120.40 125.74 2vxf s VAL 77 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2vxf s VAL 77 Cb -0.05 -2.81 -0.22 0.00 0.00 0.00 0.00 36.38 33.29 2vxf s VAL 77 CO 0.00 0.41 0.17 0.00 0.00 0.00 0.00 175.10 175.69 2vxf s GLU 79 N -2.54 3.44 -0.25 0.00 8.01 -1.26 -4.98 118.70 121.12 2vxf s GLU 79 Ca -0.22 0.37 -0.29 0.00 0.01 0.00 0.00 54.97 54.84 2vxf s GLU 79 Cb 0.08 -2.24 -0.03 0.00 -4.31 0.00 0.00 34.13 27.62 2vxf s GLU 79 CO 0.73 -0.44 1.77 -1.25 0.01 0.00 0.00 175.26 176.08 2vxf s PRO 80 N -4.96 3.57 0.66 0.39 0.04 -1.26 -4.98 135.00 128.47 2vxf s PRO 80 Ca 0.51 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 2vxf s PRO 80 Cb -0.11 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2vxf s PRO 80 CO 0.48 -1.58 1.14 -1.25 0.04 0.00 0.00 177.00 175.83 2vxf s PRO 81 N 5.22 2.72 0.32 0.56 0.04 -1.26 -4.94 135.00 137.66 2vxf s PRO 81 Ca 0.79 1.51 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2vxf s PRO 81 Cb -0.26 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2vxf s PRO 81 CO 0.32 -1.33 0.39 -1.59 0.04 0.00 0.00 177.00 174.83 2vxf s LYS 82 N -3.94 3.04 0.54 4.56 -2.85 -1.26 -4.97 119.74 114.86 2vxf s LYS 82 Ca 0.69 -1.06 -0.21 0.00 -1.00 0.00 0.00 55.97 54.39 2vxf s LYS 82 Cb -0.23 -2.72 -0.05 0.00 -2.06 0.00 0.00 37.83 32.77 2vxf s LYS 82 CO 0.40 0.15 1.30 -2.14 0.10 0.00 0.00 175.35 175.16 2vxf s PRO 83 N -4.07 3.18 -0.40 1.78 0.02 -1.26 -4.99 135.00 129.25 2vxf s PRO 83 Ca 0.41 2.10 0.09 0.00 0.02 0.00 0.00 61.00 63.62 2vxf s PRO 83 Cb -0.08 -2.21 0.29 0.00 0.02 0.00 0.00 34.50 32.52 2vxf s PRO 83 CO 0.29 -1.12 0.68 1.51 -0.33 0.00 0.00 177.00 178.03 2vxf n ILE 84 N -1.07 -0.39 -1.20 2.83 0.13 -1.26 -5.12 119.36 113.28 2vxf n ILE 84 Ca 0.11 -3.80 0.00 0.00 -1.10 0.00 0.00 62.75 57.96 2vxf n ILE 84 Cb 0.46 -0.76 0.00 0.00 -0.84 0.00 0.00 39.64 38.50 2vxf n ILE 84 CO 0.00 0.00 0.00 1.15 2.80 0.00 0.00 176.55 180.50