#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxf n GLU -1 N 0.00 0.46 -4.04 1.96 2.13 -1.26 -5.01 120.64 114.88 2vxf n GLU -1 Ca 0.00 0.20 -0.30 0.00 0.66 0.00 0.00 57.16 57.72 2vxf n GLU -1 Cb 0.00 -1.27 -0.06 0.00 0.27 0.00 0.00 31.44 30.37 2vxf n GLU -1 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2vxf s ASP 0 N -6.95 5.60 0.44 4.31 -4.77 -1.26 -5.01 116.67 109.04 2vxf s ASP 0 Ca -0.30 0.01 0.11 0.00 -3.30 0.00 0.00 52.55 49.07 2vxf s ASP 0 Cb 0.12 -1.53 0.98 0.00 -1.09 0.00 0.00 42.92 41.40 2vxf s ASP 0 CO 0.38 0.17 2.05 -0.65 0.70 0.00 0.00 175.17 177.82 2vxf h PRO 1 N 3.27 0.24 -0.12 2.11 0.11 -2.02 -2.18 132.00 133.40 2vxf h PRO 1 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2vxf h PRO 1 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2vxf h PRO 1 CO 0.67 0.23 -0.20 1.03 -0.21 0.00 0.00 178.00 179.52 2vxf h SER 2 N 0.25 0.20 0.10 -2.05 0.87 -1.94 -2.35 113.55 108.62 2vxf h SER 2 Ca 0.06 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2vxf h SER 2 Cb 0.10 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2vxf h SER 2 CO -0.00 0.41 -0.25 1.23 -0.53 0.00 0.00 176.83 177.68 2vxf h GLY 3 N 0.83 0.28 1.68 5.77 0.00 -1.80 -2.68 103.07 107.15 2vxf h GLY 3 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 2vxf h GLY 3 CO 0.03 0.20 -0.18 -1.33 0.00 0.00 0.00 176.54 175.25 2vxf h GLY 4 N 0.97 0.41 -6.13 4.60 0.00 -1.45 -3.41 103.07 98.07 2vxf h GLY 4 Ca 0.04 -0.30 -0.60 0.00 0.00 0.00 0.00 47.33 46.47 2vxf h GLY 4 CO 0.04 0.27 0.09 -1.59 0.00 0.00 0.00 176.54 175.35 2vxf s THR 5 N -4.62 5.04 0.12 4.70 2.01 -1.01 -5.03 115.64 116.85 2vxf s THR 5 Ca -0.06 1.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.75 2vxf s THR 5 Cb 0.15 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 2vxf s THR 5 CO 0.76 0.11 1.37 -2.16 -0.69 0.00 0.00 174.62 174.02 2vxf s PRO 6 N 1.94 4.33 0.29 4.92 0.04 -1.26 -4.92 135.00 140.35 2vxf s PRO 6 Ca 0.27 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.44 2vxf s PRO 6 Cb -0.16 -3.24 0.45 0.00 0.04 0.00 0.00 34.50 31.59 2vxf s PRO 6 CO 0.10 -0.41 1.70 1.88 0.04 0.00 0.00 177.00 180.31 2vxf h TYR 7 N 6.61 0.27 -3.25 0.56 0.05 -1.93 -3.43 116.97 115.85 2vxf h TYR 7 Ca -0.42 -0.08 -0.53 0.00 0.05 0.00 0.00 58.73 57.75 2vxf h TYR 7 Cb 1.21 -0.06 0.06 0.00 1.01 0.00 0.00 36.73 38.95 2vxf h TYR 7 CO 0.65 0.62 0.80 0.42 -1.05 0.00 0.00 178.16 179.60 2vxf s ILE 8 N -4.12 2.58 0.00 -2.88 1.01 -1.26 -2.07 121.20 114.46 2vxf s ILE 8 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2vxf s ILE 8 Cb 0.13 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2vxf s ILE 8 CO 0.77 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2vxf n GLY 9 N 2.54 0.67 3.88 6.18 0.00 -0.87 -4.93 105.19 112.66 2vxf n GLY 9 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.90 6.15 -0.05 1.61 0.01 -0.88 -4.60 113.70 113.04 2vxf s SER 10 Ca 0.00 0.23 -0.28 0.00 1.31 0.00 0.00 55.95 57.21 2vxf s SER 10 Cb 0.00 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2vxf s SER 10 CO 0.00 0.21 0.90 -0.75 0.41 0.00 0.00 173.24 174.01 2vxf s LYS 11 N -2.24 4.48 0.07 12.44 2.20 -1.25 -2.00 119.74 133.43 2vxf s LYS 11 Ca 0.31 1.24 0.05 0.00 -0.36 0.00 0.00 55.97 57.21 2vxf s LYS 11 Cb -0.13 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 2vxf s LYS 11 CO 0.23 -0.10 -0.14 0.42 -0.36 0.00 0.00 175.35 175.40 2vxf s ILE 12 N 1.27 1.07 -0.08 5.43 1.01 -0.84 -2.71 121.20 126.34 2vxf s ILE 12 Ca 0.46 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2vxf s ILE 12 Cb -0.19 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 2vxf s ILE 12 CO 0.22 -0.21 -0.15 -0.55 0.00 0.00 0.00 174.94 174.25 2vxf s SER 13 N -1.66 3.94 -0.03 3.58 0.15 -0.75 -2.60 113.70 116.33 2vxf s SER 13 Ca -0.02 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.40 2vxf s SER 13 Cb -0.10 -1.12 -0.01 0.00 -1.71 0.00 0.00 66.02 63.08 2vxf s SER 13 CO 0.02 0.27 -0.16 -0.22 1.20 0.00 0.00 173.24 174.35 2vxf s LEU 14 N -0.29 1.94 -0.20 3.45 2.96 -0.48 -2.29 118.68 123.77 2vxf s LEU 14 Ca 0.02 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2vxf s LEU 14 Cb -0.13 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2vxf s LEU 14 CO 0.03 0.16 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.57 2vxf s ILE 15 N -0.10 3.76 0.60 6.68 1.01 -0.78 -1.85 121.20 130.52 2vxf s ILE 15 Ca -0.00 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2vxf s ILE 15 Cb -0.09 -2.70 0.06 0.00 0.01 0.00 0.00 42.46 39.74 2vxf s ILE 15 CO 0.01 0.43 0.83 -0.44 0.00 0.00 0.00 174.94 175.77 2vxf s SER 16 N 1.13 5.00 0.66 3.58 0.01 -1.08 -0.25 113.70 122.74 2vxf s SER 16 Ca 0.02 -0.19 0.44 0.00 1.31 0.00 0.00 55.95 57.53 2vxf s SER 16 Cb -0.14 -0.53 2.37 0.00 0.21 0.00 0.00 66.02 67.92 2vxf s SER 16 CO 0.01 -1.36 2.33 0.50 0.41 0.00 0.00 173.24 175.14 2vxf h LYS 17 N -0.08 0.00 -0.63 12.44 3.64 -1.03 -1.50 116.57 129.40 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 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 2vxf n ALA 18 N -2.06 2.90 -2.35 5.00 0.00 -1.26 -4.88 120.51 117.85 2vxf n ALA 18 Ca -0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 2vxf n ALA 18 Cb 0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 0.41 -1.81 -4.09 0.00 1.02 -0.57 -4.83 120.64 110.77 2vxf n GLU 19 Ca 0.13 0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 57.86 2vxf n GLU 19 Cb 0.56 -5.54 -0.07 0.00 -0.02 0.00 0.00 31.44 26.37 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 -0.26 -3.67 1.01 -1.26 -4.54 121.20 114.18 2vxf s ILE 20 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 2vxf s ILE 20 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2vxf s ILE 20 CO 0.00 0.24 0.09 -0.60 0.00 0.00 0.00 174.94 174.67 2vxf s ARG 21 N -2.04 3.57 -0.05 2.79 3.52 -1.26 -2.64 118.95 122.84 2vxf s ARG 21 Ca 0.26 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 2vxf s ARG 21 Cb -0.12 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2vxf s ARG 21 CO 0.18 -0.24 -0.09 0.71 -0.81 0.00 0.00 175.30 175.04 2vxf s TYR 22 N 1.61 2.87 -0.01 5.12 2.02 -0.77 -2.41 117.35 125.78 2vxf s TYR 22 Ca 0.06 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 2vxf s TYR 22 Cb -0.16 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2vxf s TYR 22 CO 0.04 0.30 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.14 2vxf s GLU 23 N -0.89 1.46 0.22 -0.62 2.12 -0.96 -1.38 118.70 118.66 2vxf s GLU 23 Ca 0.13 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 2vxf s GLU 23 Cb -0.11 -1.43 0.06 0.00 0.26 0.00 0.00 34.13 32.91 2vxf s GLU 23 CO 0.02 0.39 0.86 0.41 -0.54 0.00 0.00 175.26 176.40 2vxf n GLY 24 N 2.51 0.80 3.59 -1.50 0.00 -1.07 -1.73 105.19 107.78 2vxf n GLY 24 Ca -0.15 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 4.21 -0.12 -0.61 -1.09 -1.07 -1.99 121.20 118.39 2vxf s ILE 25 Ca 0.19 -0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 2vxf s ILE 25 Cb -0.03 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.96 2vxf s ILE 25 CO 0.07 0.53 2.03 -0.22 -1.23 0.00 0.00 174.94 176.12 2vxf s LEU 26 N -0.09 3.90 -0.23 2.97 2.96 -0.85 -2.68 118.68 124.66 2vxf s LEU 26 Ca 0.04 2.15 -0.17 0.00 -0.22 0.00 0.00 54.13 55.93 2vxf s LEU 26 Cb -0.13 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.91 2vxf s LEU 26 CO 0.02 -1.51 -0.15 0.00 -1.32 0.00 0.00 176.35 173.39 2vxf n TYR 27 N 9.60 0.43 -3.84 5.38 9.36 -1.07 -2.05 117.16 134.97 2vxf n TYR 27 Ca 0.24 0.18 -0.12 0.00 3.32 0.00 0.00 57.90 61.53 2vxf n TYR 27 Cb 0.43 -0.96 -0.11 0.00 -0.63 0.00 0.00 39.34 38.08 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 -2.48 0.04 -0.13 2.97 -4.23 -1.13 -4.84 115.64 105.84 2vxf s THR 28 Ca -0.32 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2vxf s THR 28 Cb 0.10 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2vxf s THR 28 CO 0.49 -0.19 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.55 2vxf s ILE 29 N -0.67 2.34 -0.46 2.99 1.01 -1.26 -2.08 121.20 123.06 2vxf s ILE 29 Ca -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2vxf s ILE 29 Cb -0.04 -1.94 0.12 0.00 0.01 0.00 0.00 42.46 40.60 2vxf s ILE 29 CO 0.01 0.54 0.28 -0.62 0.00 0.00 0.00 174.94 175.15 2vxf s ASP 30 N 0.61 5.32 0.19 3.58 -1.08 -0.75 -4.95 116.67 119.58 2vxf s ASP 30 Ca -0.11 -2.19 -0.04 0.00 -0.52 0.00 0.00 52.55 49.69 2vxf s ASP 30 Cb -0.16 -1.86 0.12 0.00 -1.46 0.00 0.00 42.92 39.56 2vxf s ASP 30 CO 0.03 -0.53 1.52 0.74 0.52 0.00 0.00 175.17 177.46 2vxf h THR 31 N 6.10 1.31 -0.08 1.71 2.02 -1.98 -2.46 112.91 119.52 2vxf h THR 31 Ca -0.11 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.38 2vxf h THR 31 Cb 1.03 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2vxf h THR 31 CO 0.72 0.54 0.06 -0.33 0.37 0.00 0.00 175.52 176.88 2vxf h GLU 32 N 0.48 0.00 -0.13 6.66 5.08 -1.94 -2.04 114.58 122.69 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 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 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 -4.39 2.64 -3.93 1.42 4.13 -1.22 -4.99 115.26 108.92 2vxf n ASN 33 Ca -0.01 -2.43 -0.26 0.00 1.68 0.00 0.00 54.58 53.55 2vxf n ASN 33 Cb 0.17 -0.25 -0.00 0.00 -1.54 0.00 0.00 39.78 38.16 2vxf n ASN 33 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2vxf n SER 34 N -0.47 -1.42 -4.16 6.41 2.88 -0.77 -4.88 113.62 111.22 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 0.50 -3.34 -0.12 0.00 -0.75 0.00 0.00 64.21 60.50 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 -3.73 1.05 0.00 2.46 -4.23 -0.93 -2.31 115.64 107.94 2vxf s THR 35 Ca 0.18 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2vxf s THR 35 Cb -0.09 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 2vxf s THR 35 CO 0.87 -0.24 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.93 2vxf s VAL 36 N -1.28 0.69 -0.14 2.29 1.01 -0.92 -1.81 120.40 120.23 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 -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2vxf s VAL 36 CO 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 175.10 175.11 2vxf s ALA 37 N -0.40 2.69 -0.04 5.51 0.00 -0.89 -2.24 121.76 126.39 2vxf s ALA 37 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2vxf s ALA 37 Cb -0.04 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2vxf s ALA 37 CO -0.00 0.22 -0.20 -0.51 0.00 0.00 0.00 175.76 175.28 2vxf s LEU 38 N 0.38 2.41 0.32 0.00 1.43 -0.96 -2.60 118.68 119.66 2vxf s LEU 38 Ca -0.09 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 2vxf s LEU 38 Cb -0.16 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2vxf s LEU 38 CO 0.05 0.32 -0.03 0.00 0.23 0.00 0.00 176.35 176.92 2vxf s ALA 39 N -0.57 3.12 -1.16 4.21 0.00 -1.09 -2.18 121.76 124.08 2vxf s ALA 39 Ca 0.08 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.00 2vxf s ALA 39 Cb -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2vxf s ALA 39 CO 0.01 0.14 0.78 1.63 0.00 0.00 0.00 175.76 178.32 2vxf n LYS 40 N -0.88 -1.87 -4.46 0.00 5.02 -0.83 -2.58 118.16 112.55 2vxf n LYS 40 Ca -0.05 0.53 -0.28 0.00 -2.02 0.00 0.00 58.31 56.49 2vxf n LYS 40 Cb 0.61 -4.51 -0.13 0.00 -0.02 0.00 0.00 35.03 30.98 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 -3.50 2.10 0.04 -0.18 0.11 -1.00 -4.16 120.40 113.81 2vxf s VAL 41 Ca 0.40 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 2vxf s VAL 41 Cb -0.13 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 2vxf s VAL 41 CO 0.84 0.11 -0.04 0.00 -3.33 0.00 0.00 175.10 172.67 2vxf s ARG 42 N -1.85 0.50 -0.18 1.54 1.70 -0.71 -2.03 118.95 117.92 2vxf s ARG 42 Ca 0.12 -0.89 -0.09 0.00 -0.47 0.00 0.00 55.73 54.40 2vxf s ARG 42 Cb -0.10 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 2vxf s ARG 42 CO 0.05 -0.04 0.11 -1.54 -1.08 0.00 0.00 175.30 172.80 2vxf s SER 43 N -2.07 6.05 0.13 -2.89 1.04 -1.26 -2.27 113.70 112.42 2vxf s SER 43 Ca -0.05 0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 2vxf s SER 43 Cb -0.03 -2.03 -0.08 0.00 0.10 0.00 0.00 66.02 63.98 2vxf s SER 43 CO -0.04 0.22 1.42 -0.26 0.98 0.00 0.00 173.24 175.57 2vxf h PHE 44 N 6.37 1.10 0.00 5.02 0.04 -1.88 -3.49 116.94 124.10 2vxf h PHE 44 Ca -0.42 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 59.97 2vxf h PHE 44 Cb 1.17 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2vxf h PHE 44 CO 0.60 1.20 0.00 0.41 -0.60 0.00 0.00 178.31 179.93 2vxf n GLY 45 N 0.30 1.38 0.01 -1.45 0.00 -1.26 -5.04 105.19 99.13 2vxf n GLY 45 Ca -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 0.12 0.23 2.61 -2.24 -1.26 -4.31 114.28 108.82 2vxf n THR 46 Ca 0.00 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 2vxf n THR 46 Cb 0.00 -0.71 0.53 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.25 -0.78 5.08 -1.96 -1.90 114.58 114.77 2vxf h GLU 47 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2vxf h GLU 47 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2vxf h GLU 47 CO 0.00 0.15 0.14 0.22 -1.00 0.00 0.00 179.01 178.52 2vxf h ASP 48 N 0.00 0.29 -4.00 1.42 3.58 -1.96 -3.32 116.42 112.43 2vxf h ASP 48 Ca -0.00 -0.01 -0.65 0.00 0.42 0.00 0.00 57.03 56.79 2vxf h ASP 48 Cb 0.26 -0.07 -0.40 0.00 1.72 0.00 0.00 39.33 40.83 2vxf h ASP 48 CO 0.02 0.23 -0.68 -0.13 -2.88 0.00 0.00 179.24 175.80 2vxf s ARG 49 N -5.28 1.70 0.24 0.28 0.52 -0.71 -5.09 118.95 110.61 2vxf s ARG 49 Ca -0.07 -2.22 -0.31 0.00 -0.52 0.00 0.00 55.73 52.61 2vxf s ARG 49 Cb 0.17 -3.22 -0.12 0.00 0.52 0.00 0.00 34.95 32.30 2vxf s ARG 49 CO 0.71 -1.03 1.65 -0.35 0.02 0.00 0.00 175.30 176.30 2vxf n PRO 50 N 3.70 2.67 -4.39 3.54 -0.04 -1.25 -4.86 135.00 134.37 2vxf n PRO 50 Ca 0.04 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.26 2vxf n PRO 50 Cb 0.37 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 30.97 2vxf n PRO 50 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2vxf s THR 51 N 0.61 1.42 -1.84 0.52 -4.23 -1.26 -5.03 115.64 105.82 2vxf s THR 51 Ca 0.70 -2.09 0.28 0.00 -1.18 0.00 0.00 61.69 59.41 2vxf s THR 51 Cb -0.52 -2.41 0.72 0.00 1.34 0.00 0.00 72.50 71.62 2vxf s THR 51 CO 0.40 -0.31 2.01 -0.90 -0.54 0.00 0.00 174.62 175.28 2vxf n ASP 52 N -0.52 0.00 -4.21 3.99 5.68 -1.26 -4.61 116.55 115.62 2vxf n ASP 52 Ca -0.05 -0.67 -0.35 0.00 -0.50 0.00 0.00 54.79 53.22 2vxf n ASP 52 Cb 0.64 -0.08 -0.14 0.00 -1.14 0.00 0.00 41.12 40.39 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2vxf s ARG 53 N -2.16 2.83 0.19 0.11 3.52 -1.26 -5.09 118.95 117.09 2vxf s ARG 53 Ca 0.38 -0.98 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 2vxf s ARG 53 Cb 0.19 -3.01 -0.10 0.00 -1.56 0.00 0.00 34.95 30.48 2vxf s ARG 53 CO 0.35 -0.41 1.48 -1.25 -0.81 0.00 0.00 175.30 174.66 2vxf s PRO 54 N 1.33 4.26 0.07 5.12 0.04 -1.26 -5.02 135.00 139.53 2vxf s PRO 54 Ca 0.00 2.28 0.09 0.00 0.04 0.00 0.00 61.00 63.41 2vxf s PRO 54 Cb -0.17 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2vxf s PRO 54 CO -0.04 -0.49 -0.25 0.42 0.04 0.00 0.00 177.00 176.68 2vxf s ILE 55 N 0.67 2.04 0.25 0.56 -1.09 -1.26 -5.14 121.20 117.23 2vxf s ILE 55 Ca 0.65 -1.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.53 2vxf s ILE 55 Cb -0.42 -1.77 -0.07 0.00 -1.58 0.00 0.00 42.46 38.62 2vxf s ILE 55 CO 0.36 0.25 0.57 0.00 -1.23 0.00 0.00 174.94 174.89 2vxf s ALA 56 N -0.88 3.54 0.45 9.38 0.00 -1.26 -4.98 121.76 128.02 2vxf s ALA 56 Ca 0.11 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 2vxf s ALA 56 Cb -0.10 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 2vxf s ALA 56 CO 0.03 0.45 1.18 -1.25 0.00 0.00 0.00 175.76 176.17 2vxf s PRO 57 N -2.95 3.77 -0.00 0.00 0.04 -1.26 -5.01 135.00 129.59 2vxf s PRO 57 Ca 0.48 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 2vxf s PRO 57 Cb -0.11 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.03 2vxf s PRO 57 CO 0.22 -0.56 0.50 -0.98 0.04 0.00 0.00 177.00 176.22 2vxf s ARG 58 N -2.64 0.92 -0.13 4.56 1.70 -1.26 -5.06 118.95 117.05 2vxf s ARG 58 Ca 0.63 -0.08 0.20 0.00 -0.47 0.00 0.00 55.73 56.01 2vxf s ARG 58 Cb -0.30 0.42 0.45 0.00 -0.57 0.00 0.00 34.95 34.95 2vxf s ARG 58 CO 0.37 -0.30 1.17 -0.25 -1.08 0.00 0.00 175.30 175.21 2vxf n ASP 59 N 0.83 1.65 -4.96 -2.89 10.43 -1.26 -5.01 116.55 115.34 2vxf n ASP 59 Ca -0.19 -2.57 -0.22 0.00 2.57 0.00 0.00 54.79 54.37 2vxf n ASP 59 Cb 0.58 -0.39 -0.02 0.00 1.84 0.00 0.00 41.12 43.12 2vxf n ASP 59 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2vxf s GLU 60 N -1.87 3.44 -0.07 -1.24 2.02 -1.26 -5.11 118.70 114.62 2vxf s GLU 60 Ca 0.35 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.59 2vxf s GLU 60 Cb 0.37 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 2vxf s GLU 60 CO -0.10 0.45 0.09 0.99 0.02 0.00 0.00 175.26 176.72 2vxf s THR 61 N -1.91 4.99 -0.20 3.63 2.01 -1.26 -4.77 115.64 118.12 2vxf s THR 61 Ca 0.34 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 2vxf s THR 61 Cb -0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2vxf s THR 61 CO 0.29 0.52 0.10 -0.36 -0.69 0.00 0.00 174.62 174.48 2vxf s PHE 62 N -1.06 3.30 0.10 4.92 0.40 -0.86 -4.99 117.98 119.79 2vxf s PHE 62 Ca 0.18 0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.50 2vxf s PHE 62 Cb -0.12 -2.15 -0.06 0.00 0.51 0.00 0.00 43.02 41.19 2vxf s PHE 62 CO 0.07 0.14 1.47 0.93 0.70 0.00 0.00 175.22 178.54 2vxf h GLU 63 N 6.96 0.67 -2.68 0.44 4.39 -1.94 -2.64 114.58 119.78 2vxf h GLU 63 Ca -0.38 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 58.88 2vxf h GLU 63 Cb 1.16 -0.02 -0.29 0.00 -0.10 0.00 0.00 28.75 29.50 2vxf h GLU 63 CO 0.70 0.88 -0.42 -0.47 -1.16 0.00 0.00 179.01 178.54 2vxf s TYR 64 N -4.62 -0.61 0.05 4.33 6.14 -1.26 -1.97 117.35 119.40 2vxf s TYR 64 Ca -0.13 1.26 0.05 0.00 0.64 0.00 0.00 57.07 58.89 2vxf s TYR 64 Cb 0.09 0.17 -0.02 0.00 0.42 0.00 0.00 41.96 42.61 2vxf s TYR 64 CO 0.81 -0.40 -0.13 0.42 0.64 0.00 0.00 175.55 176.88 2vxf s ILE 65 N 2.30 1.05 -0.09 3.14 1.01 -0.93 -5.03 121.20 122.64 2vxf s ILE 65 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 2vxf s ILE 65 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2vxf s ILE 65 CO -0.11 -0.08 -0.06 -0.63 0.00 0.00 0.00 174.94 174.06 2vxf s ILE 66 N -0.98 3.79 0.03 2.92 1.01 -1.26 -2.26 121.20 124.45 2vxf s ILE 66 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2vxf s ILE 66 Cb -0.08 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2vxf s ILE 66 CO 0.01 0.57 -0.15 -0.36 0.00 0.00 0.00 174.94 175.01 2vxf s PHE 67 N -0.50 1.33 0.14 3.97 0.08 -0.95 -5.04 117.98 117.01 2vxf s PHE 67 Ca 0.08 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 56.86 2vxf s PHE 67 Cb -0.12 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 2vxf s PHE 67 CO 0.02 0.03 0.02 1.03 -0.10 0.00 0.00 175.22 176.22 2vxf s ARG 68 N -0.96 2.53 0.58 0.44 0.52 -1.26 -2.16 118.95 118.64 2vxf s ARG 68 Ca 0.03 -0.96 0.28 0.00 -0.52 0.00 0.00 55.73 54.56 2vxf s ARG 68 Cb -0.07 -2.47 1.64 0.00 0.52 0.00 0.00 34.95 34.56 2vxf s ARG 68 CO 0.01 0.50 2.11 0.78 0.02 0.00 0.00 175.30 178.71 2vxf h GLY 69 N 2.98 0.00 0.86 -3.53 0.00 -1.80 -2.12 103.07 99.45 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 0.59 0.00 0.01 1.76 0.00 0.00 0.00 176.54 178.90 2vxf h SER 70 N 0.00 0.44 0.83 0.19 0.02 -1.95 -3.23 113.55 109.86 2vxf h SER 70 Ca 0.08 -0.30 -0.24 0.00 -0.84 0.00 0.00 61.79 60.50 2vxf h SER 70 Cb 0.46 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2vxf h SER 70 CO -0.00 0.63 -1.18 -2.24 -1.14 0.00 0.00 176.83 172.90 2vxf h ASP 71 N 0.24 0.08 -3.93 3.07 3.04 -1.83 -3.46 116.42 113.64 2vxf h ASP 71 Ca 0.08 -0.09 -0.52 0.00 -3.24 0.00 0.00 57.03 53.25 2vxf h ASP 71 Cb 0.40 -0.03 0.08 0.00 -1.04 0.00 0.00 39.33 38.74 2vxf h ASP 71 CO 0.01 1.08 0.63 -0.63 -2.04 0.00 0.00 179.24 178.28 2vxf s ILE 72 N -2.68 2.64 -0.20 4.15 1.01 -0.85 -0.40 121.20 124.86 2vxf s ILE 72 Ca -0.01 0.59 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 2vxf s ILE 72 Cb 0.09 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 39.08 2vxf s ILE 72 CO 0.83 0.11 -0.20 1.17 0.00 0.00 0.00 174.94 176.84 2vxf n LYS 73 N 0.35 0.49 -3.83 2.79 4.81 0.65 -4.78 118.16 118.64 2vxf n LYS 73 Ca 0.02 0.14 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 2vxf n LYS 73 Cb 0.43 -1.37 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 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 -6.20 -0.10 -0.07 3.14 -1.08 -1.11 -5.02 116.67 106.23 2vxf s ASP 74 Ca -0.28 0.09 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 2vxf s ASP 74 Cb 0.08 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.87 2vxf s ASP 74 CO 0.44 -0.26 -0.12 -0.22 0.52 0.00 0.00 175.17 175.53 2vxf s LEU 75 N -0.78 1.61 0.01 -1.34 0.20 -1.26 -1.87 118.68 115.25 2vxf s LEU 75 Ca -0.09 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.45 2vxf s LEU 75 Cb -0.05 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.87 2vxf s LEU 75 CO 0.01 0.02 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.14 2vxf s THR 76 N 0.75 0.51 -0.01 3.68 2.01 -0.97 -5.05 115.64 116.55 2vxf s THR 76 Ca -0.13 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2vxf s THR 76 Cb -0.16 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2vxf s THR 76 CO 0.03 -0.00 0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 2vxf s VAL 77 N -0.48 5.35 -0.20 3.82 1.01 -1.26 -1.81 120.40 126.83 2vxf s VAL 77 Ca -0.01 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2vxf s VAL 77 Cb -0.04 -3.54 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 2vxf s VAL 77 CO -0.00 0.40 -0.12 0.00 0.00 0.00 0.00 175.10 175.39 2vxf s GLU 79 N -2.42 0.64 1.30 0.00 2.56 -1.25 -5.07 118.70 114.45 2vxf s GLU 79 Ca -0.23 0.80 -0.19 0.00 0.00 0.00 0.00 54.97 55.35 2vxf s GLU 79 Cb 0.07 0.30 0.32 0.00 2.00 0.00 0.00 34.13 36.82 2vxf s GLU 79 CO 0.55 -0.08 1.00 -2.14 -0.56 0.00 0.00 175.26 174.03 2vxf s PRO 80 N 0.40 -1.96 0.79 4.30 0.02 -1.26 -3.82 135.00 133.47 2vxf s PRO 80 Ca -0.01 0.27 -0.13 0.00 0.02 0.00 0.00 61.00 61.15 2vxf s PRO 80 Cb -0.04 -1.48 0.07 0.00 0.02 0.00 0.00 34.50 33.07 2vxf s PRO 80 CO -0.01 -4.27 1.17 -2.14 -0.33 0.00 0.00 177.00 171.42 2vxf s PRO 81 N -4.99 1.82 0.57 5.54 0.02 -1.26 -4.76 135.00 131.94 2vxf s PRO 81 Ca 0.69 1.61 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 2vxf s PRO 81 Cb -0.16 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 2vxf s PRO 81 CO 0.59 -2.05 1.00 0.15 -0.33 0.00 0.00 177.00 176.37 2vxf s LYS 82 N -4.27 3.75 0.54 5.54 1.02 -1.26 -5.02 119.74 120.03 2vxf s LYS 82 Ca 0.70 0.81 -0.20 0.00 0.02 0.00 0.00 55.97 57.30 2vxf s LYS 82 Cb -0.25 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2vxf s LYS 82 CO 0.50 -0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 174.45 2vxf s PRO 83 N -4.68 3.32 0.23 -1.68 0.04 -1.26 -4.94 135.00 126.03 2vxf s PRO 83 Ca 0.56 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2vxf s PRO 83 Cb -0.11 -2.12 0.24 0.00 0.04 0.00 0.00 34.50 32.55 2vxf s PRO 83 CO 0.44 -0.92 1.59 0.82 0.04 0.00 0.00 177.00 178.97 2vxf h ILE 84 N 1.32 1.31 -0.01 0.56 2.04 -2.06 -3.57 117.51 117.10 2vxf h ILE 84 Ca -0.50 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 63.72 2vxf h ILE 84 Cb 1.27 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2vxf h ILE 84 CO 0.57 0.51 0.00 0.23 0.00 0.00 0.00 178.15 179.46