#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa h ASP -4 N 0.00 0.00 -5.04 4.04 3.32 -2.10 -3.50 116.42 113.14 2rpa h ASP -4 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2rpa h ASP -4 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2rpa h ASP -4 CO 0.00 0.66 0.21 -2.28 -1.72 0.00 0.00 179.24 176.11 2rpa s HIS -3 N -1.82 0.06 -0.02 4.55 2.46 -1.26 -5.07 115.29 114.19 2rpa s HIS -3 Ca -0.07 -0.61 -0.21 0.00 0.47 0.00 0.00 55.06 54.64 2rpa s HIS -3 Cb 0.00 0.70 -0.27 0.00 -0.13 0.00 0.00 32.58 32.89 2rpa s HIS -3 CO 0.16 -1.39 1.00 1.98 -2.47 0.00 0.00 174.74 174.03 2rpa h MET -2 N 2.02 0.35 -6.44 2.88 4.05 -2.11 -3.44 114.93 112.23 2rpa h MET -2 Ca -0.26 -0.45 -0.53 0.00 -0.28 0.00 0.00 59.70 58.17 2rpa h MET -2 Cb 1.25 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.17 2rpa h MET -2 CO 0.33 1.15 0.25 0.99 0.23 0.00 0.00 176.91 179.87 2rpa s THR -1 N -2.85 4.59 0.44 -0.77 2.01 -1.26 -5.06 115.64 112.74 2rpa s THR -1 Ca -0.14 1.83 0.05 0.00 0.31 0.00 0.00 61.69 63.75 2rpa s THR -1 Cb 0.02 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 2rpa s THR -1 CO 0.82 0.36 0.02 -0.04 -0.69 0.00 0.00 174.62 175.09 2rpa s MET 1 N -0.15 2.05 -1.10 4.92 1.00 -1.26 -5.04 119.30 119.72 2rpa s MET 1 Ca 0.42 -2.20 -0.23 0.00 0.00 0.00 0.00 55.69 53.69 2rpa s MET 1 Cb -0.22 -1.62 -0.05 0.00 0.00 0.00 0.00 34.83 32.94 2rpa s MET 1 CO 0.26 -0.16 1.88 -1.54 0.00 0.00 0.00 175.02 175.46 2rpa s SER 2 N -3.78 5.37 -0.97 3.03 1.04 -1.26 -4.20 113.70 112.94 2rpa s SER 2 Ca 0.26 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 2rpa s SER 2 Cb 0.07 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.73 2rpa s SER 2 CO 0.13 -2.65 0.31 -0.11 0.98 0.00 0.00 173.24 171.90 2rpa n LEU 3 N 13.19 -0.42 -0.10 2.42 0.00 -1.26 -4.73 117.00 126.10 2rpa n LEU 3 Ca 0.43 -0.50 -0.24 0.00 0.00 0.00 0.00 56.01 55.71 2rpa n LEU 3 Cb 0.47 -1.10 -0.12 0.00 0.00 0.00 0.00 43.42 42.67 2rpa n LEU 3 CO 0.66 0.05 -1.05 1.67 0.00 0.00 0.00 177.39 178.73 2rpa n GLN 4 N -2.85 0.63 0.23 1.96 -0.06 -1.26 -3.48 117.38 112.54 2rpa n GLN 4 Ca 0.06 0.33 0.12 0.00 -2.00 0.00 0.00 57.00 55.51 2rpa n GLN 4 Cb 0.37 -1.61 0.62 0.00 -4.06 0.00 0.00 30.24 25.57 2rpa n GLN 4 CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 2rpa h MET 5 N -0.60 0.00 0.00 3.69 4.05 -1.86 -0.69 114.93 119.51 2rpa h MET 5 Ca -0.53 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 2rpa h MET 5 Cb 1.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 2rpa h MET 5 CO -0.20 0.00 -0.33 -0.89 0.23 0.00 0.00 176.91 175.71 2rpa n ILE 6 N -2.42 0.71 -0.33 1.77 2.08 -1.26 -4.19 119.36 115.72 2rpa n ILE 6 Ca -0.02 0.35 0.32 0.00 0.56 0.00 0.00 62.75 63.96 2rpa n ILE 6 Cb 0.24 -1.93 0.68 0.00 -0.75 0.00 0.00 39.64 37.88 2rpa n ILE 6 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 2rpa h VAL 7 N -0.49 0.42 -0.32 1.39 -1.51 -1.55 0.64 116.25 114.83 2rpa h VAL 7 Ca 0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.42 2rpa h VAL 7 Cb 0.33 0.30 -0.02 0.00 -2.13 0.00 0.00 31.29 29.78 2rpa h VAL 7 CO 0.00 0.02 0.13 1.05 -1.23 0.00 0.00 177.57 177.54 2rpa h GLU 8 N 0.11 0.45 -0.33 5.19 4.11 -1.33 -1.93 114.58 120.85 2rpa h GLU 8 Ca 0.59 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.90 2rpa h GLU 8 Cb 2.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 2rpa h GLU 8 CO -0.10 0.37 -0.06 -0.91 0.07 0.00 0.00 179.01 178.37 2rpa h ASN 9 N 0.45 0.51 -0.15 3.06 2.35 0.14 -2.99 115.58 118.94 2rpa h ASN 9 Ca 0.11 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2rpa h ASN 9 Cb 0.09 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2rpa h ASN 9 CO -0.01 0.62 -0.05 0.58 -1.65 0.00 0.00 177.43 176.92 2rpa h VAL 10 N 0.50 0.82 -0.64 2.81 2.07 -1.35 -1.38 116.25 119.09 2rpa h VAL 10 Ca 0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.76 2rpa h VAL 10 Cb 0.42 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2rpa h VAL 10 CO 0.02 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.16 2rpa h LYS 11 N -0.02 0.24 -0.44 1.57 1.79 -1.54 0.96 116.57 119.13 2rpa h LYS 11 Ca 0.08 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.42 2rpa h LYS 11 Cb 0.13 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2rpa h LYS 11 CO -0.17 0.16 -0.18 1.25 -1.08 0.00 0.00 179.45 179.43 2rpa h LEU 12 N 0.25 0.87 -0.07 2.94 7.12 -1.25 -2.23 115.31 122.94 2rpa h LEU 12 Ca 0.31 -0.30 -0.25 0.00 0.13 0.00 0.00 57.88 57.77 2rpa h LEU 12 Cb 0.86 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.76 2rpa h LEU 12 CO -0.06 1.04 -1.05 0.00 -0.13 0.00 0.00 178.44 178.24 2rpa h ALA 13 N 1.03 0.26 -0.20 1.25 0.00 -0.61 -2.94 119.26 118.05 2rpa h ALA 13 Ca 0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 2rpa h ALA 13 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2rpa h ALA 13 CO 0.05 0.83 -0.10 -0.09 0.00 0.00 0.00 179.25 179.95 2rpa h ARG 14 N 0.20 0.31 -0.08 0.00 1.12 -0.82 -2.14 114.38 112.98 2rpa h ARG 14 Ca -0.11 -0.07 -0.17 0.00 -1.11 0.00 0.00 59.98 58.53 2rpa h ARG 14 Cb 1.71 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 31.63 2rpa h ARG 14 CO 0.18 0.42 -0.61 1.49 -3.11 0.00 0.00 179.97 178.35 2rpa h GLU 15 N 0.30 0.55 -0.61 0.20 4.81 -1.42 -3.22 114.58 115.19 2rpa h GLU 15 Ca 0.06 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2rpa h GLU 15 Cb 0.36 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2rpa h GLU 15 CO 0.02 1.11 0.34 1.88 -0.73 0.00 0.00 179.01 181.64 2rpa h TYR 16 N 0.15 0.82 -0.72 0.92 -1.99 -1.32 -0.78 116.97 114.04 2rpa h TYR 16 Ca -0.05 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.70 2rpa h TYR 16 Cb 1.27 -0.27 -0.04 0.00 2.00 0.00 0.00 36.73 39.69 2rpa h TYR 16 CO 0.12 0.57 0.46 0.00 -0.00 0.00 0.00 178.16 179.30 2rpa h ALA 17 N 1.53 0.94 0.11 3.88 0.00 -0.56 0.47 119.26 125.63 2rpa h ALA 17 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2rpa h ALA 17 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2rpa h ALA 17 CO -0.04 0.26 -0.05 -0.07 0.00 0.00 0.00 179.25 179.35 2rpa h LEU 18 N 0.91 -0.12 -1.83 0.00 3.38 -1.44 -3.21 115.31 112.98 2rpa h LEU 18 Ca 0.29 -0.45 0.42 0.00 0.09 0.00 0.00 57.88 58.23 2rpa h LEU 18 Cb -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2rpa h LEU 18 CO -0.10 0.48 1.01 -0.07 0.09 0.00 0.00 178.44 179.85 2rpa h LEU 19 N -0.83 0.09 0.00 1.67 4.07 -1.09 -3.43 115.31 115.78 2rpa h LEU 19 Ca -0.01 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2rpa h LEU 19 Cb 0.56 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2rpa h LEU 19 CO 0.02 -0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2rpa n GLY 20 N -1.75 1.17 3.45 0.83 0.00 -0.87 -5.09 105.19 102.93 2rpa n GLY 20 Ca 0.33 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 2rpa n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rpa s ASN 21 N -0.24 6.22 -0.26 1.61 3.04 0.16 -4.88 114.94 120.60 2rpa s ASN 21 Ca 0.00 -0.87 -0.01 0.00 0.04 0.00 0.00 52.86 52.02 2rpa s ASN 21 Cb 0.00 -2.28 -0.17 0.00 -1.54 0.00 0.00 41.25 37.27 2rpa s ASN 21 CO 0.00 -0.84 -0.23 -1.22 -3.04 0.00 0.00 177.10 171.78 2rpa n TYR 22 N 6.05 0.05 -0.33 0.43 4.02 -1.26 -1.40 117.16 124.72 2rpa n TYR 22 Ca -0.07 0.01 0.15 0.00 -0.01 0.00 0.00 57.90 57.99 2rpa n TYR 22 Cb 0.46 -1.01 0.38 0.00 -0.02 0.00 0.00 39.34 39.15 2rpa n TYR 22 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2rpa h ASP 23 N -0.14 0.67 0.57 7.72 3.58 -1.94 0.40 116.42 127.29 2rpa h ASP 23 Ca -0.59 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 56.86 2rpa h ASP 23 Cb 1.86 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.86 2rpa h ASP 23 CO -0.13 0.24 -0.39 -1.28 -2.88 0.00 0.00 179.24 174.79 2rpa h SER 24 N 0.66 0.00 0.33 2.28 0.87 -1.96 -2.91 113.55 112.82 2rpa h SER 24 Ca 0.55 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.93 2rpa h SER 24 Cb 1.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2rpa h SER 24 CO -0.32 0.39 -0.77 0.00 -0.53 0.00 0.00 176.83 175.60 2rpa h ALA 25 N 1.61 0.57 0.65 6.23 0.00 -0.41 -3.08 119.26 124.84 2rpa h ALA 25 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 2rpa h ALA 25 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rpa h ALA 25 CO 0.05 0.79 -0.35 0.52 0.00 0.00 0.00 179.25 180.26 2rpa h MET 26 N 0.23 -0.89 -0.80 0.00 2.07 -1.10 0.22 114.93 114.66 2rpa h MET 26 Ca -0.04 0.06 0.13 0.00 -2.07 0.00 0.00 59.70 57.78 2rpa h MET 26 Cb 1.36 0.20 -0.06 0.00 -1.87 0.00 0.00 31.60 31.24 2rpa h MET 26 CO 0.13 -0.59 0.52 -0.39 1.07 0.00 0.00 176.91 177.65 2rpa h VAL 27 N -0.93 0.86 -0.00 -2.22 -1.51 -1.64 -0.98 116.25 109.84 2rpa h VAL 27 Ca -0.09 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.18 2rpa h VAL 27 Cb 0.73 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2rpa h VAL 27 CO 0.12 0.11 -0.00 1.88 -1.23 0.00 0.00 177.57 178.45 2rpa h TYR 28 N 0.61 0.00 -0.34 5.19 -1.99 -1.37 -2.73 116.97 116.33 2rpa h TYR 28 Ca 0.39 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.17 2rpa h TYR 28 Cb 0.65 -0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.33 2rpa h TYR 28 CO -0.00 0.54 0.02 1.88 -0.00 0.00 0.00 178.16 180.60 2rpa h TYR 29 N -0.53 0.02 -0.90 4.88 0.05 0.06 -0.54 116.97 120.01 2rpa h TYR 29 Ca 0.00 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.88 2rpa h TYR 29 Cb 0.54 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.25 2rpa h TYR 29 CO 0.11 -0.04 0.56 0.37 -1.05 0.00 0.00 178.16 178.11 2rpa h GLN 30 N 0.12 0.96 0.07 4.88 -0.00 -1.26 -1.60 115.11 118.29 2rpa h GLN 30 Ca 0.17 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2rpa h GLN 30 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2rpa h GLN 30 CO -0.26 0.64 -0.03 0.78 0.00 0.00 0.00 178.83 179.95 2rpa h GLY 31 N 0.99 -0.10 0.42 2.39 0.00 -0.98 -2.33 103.07 103.45 2rpa h GLY 31 Ca 0.40 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.84 2rpa h GLY 31 CO -0.19 -0.03 0.05 -2.08 0.00 0.00 0.00 176.54 174.28 2rpa h VAL 32 N -0.37 0.74 -0.85 4.60 2.07 -0.83 -0.47 116.25 121.14 2rpa h VAL 32 Ca -0.01 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2rpa h VAL 32 Cb 0.32 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2rpa h VAL 32 CO 0.02 0.03 0.54 -0.07 0.02 0.00 0.00 177.57 178.10 2rpa h LEU 33 N 0.17 0.86 -0.38 2.57 3.38 -1.29 0.39 115.31 121.01 2rpa h LEU 33 Ca 0.20 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2rpa h LEU 33 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2rpa h LEU 33 CO -0.30 0.57 0.14 0.44 0.09 0.00 0.00 178.44 179.38 2rpa h ASP 34 N 1.00 0.54 0.31 -0.43 3.32 -0.72 -2.32 116.42 118.12 2rpa h ASP 34 Ca 0.36 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 2rpa h ASP 34 Cb 0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2rpa h ASP 34 CO -0.15 0.57 -0.51 1.56 -1.72 0.00 0.00 179.24 178.99 2rpa h GLN 35 N 0.47 0.23 0.12 3.56 1.08 -0.56 -3.11 115.11 116.89 2rpa h GLN 35 Ca 0.13 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2rpa h GLN 35 Cb 0.21 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2rpa h GLN 35 CO -0.01 0.69 -0.06 0.52 -0.95 0.00 0.00 178.83 179.02 2rpa h MET 36 N 0.18 -0.16 -0.47 1.46 2.86 0.02 -2.72 114.93 116.11 2rpa h MET 36 Ca 0.01 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2rpa h MET 36 Cb 0.96 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.60 2rpa h MET 36 CO 0.08 -0.07 0.11 -0.91 1.06 0.00 0.00 176.91 177.19 2rpa h ASN 37 N -0.21 0.04 -0.99 1.22 2.35 -1.42 -1.07 115.58 115.50 2rpa h ASN 37 Ca -0.02 0.08 0.17 0.00 -0.55 0.00 0.00 56.30 55.98 2rpa h ASN 37 Cb 0.17 0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.53 2rpa h ASN 37 CO 0.03 0.05 0.60 0.11 -1.65 0.00 0.00 177.43 176.57 2rpa h LYS 38 N 0.26 0.78 -0.29 0.81 1.57 -1.45 0.31 116.57 118.56 2rpa h LYS 38 Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2rpa h LYS 38 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2rpa h LYS 38 CO -0.29 0.52 0.08 -0.92 -0.57 0.00 0.00 179.45 178.27 2rpa h TYR 39 N 0.81 0.48 -0.16 -1.35 5.03 -0.90 -0.63 116.97 120.25 2rpa h TYR 39 Ca 0.55 -0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.71 2rpa h TYR 39 Cb 0.79 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 2rpa h TYR 39 CO -0.01 0.51 -0.34 -0.07 -1.32 0.00 0.00 178.16 176.93 2rpa h LEU 40 N 0.30 0.34 -0.01 2.82 3.38 -0.67 -2.04 115.31 119.43 2rpa h LEU 40 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2rpa h LEU 40 Cb 0.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2rpa h LEU 40 CO -0.00 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2rpa n TYR 41 N -4.08 0.18 -0.05 1.13 4.19 0.96 -3.26 117.16 116.23 2rpa n TYR 41 Ca -0.01 0.05 -0.08 0.00 3.31 0.00 0.00 57.90 61.17 2rpa n TYR 41 Cb 0.44 -0.59 -0.14 0.00 0.49 0.00 0.00 39.34 39.54 2rpa n TYR 41 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2rpa n SER 42 N -1.64 0.50 -4.82 2.98 2.88 -0.26 -4.93 113.62 108.32 2rpa n SER 42 Ca 0.06 0.24 -0.34 0.00 -1.33 0.00 0.00 58.87 57.50 2rpa n SER 42 Cb 0.34 0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 2rpa n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpa s VAL 43 N -2.61 4.50 -0.16 2.46 0.11 -0.82 -5.00 120.40 118.88 2rpa s VAL 43 Ca -0.07 1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 60.27 2rpa s VAL 43 Cb 0.07 -3.72 -0.23 0.00 -1.53 0.00 0.00 36.38 30.97 2rpa s VAL 43 CO 0.83 -0.09 0.20 0.29 -3.33 0.00 0.00 175.10 172.99 2rpa n LYS 44 N -0.07 0.72 -1.54 1.54 5.02 -1.26 -4.82 118.16 117.75 2rpa n LYS 44 Ca 0.03 0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 56.28 2rpa n LYS 44 Cb 0.52 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rpa n ASP 45 N -3.36 1.15 -0.18 4.39 8.00 -1.26 -4.75 116.55 120.55 2rpa n ASP 45 Ca -0.35 -0.78 0.19 0.00 0.71 0.00 0.00 54.79 54.56 2rpa n ASP 45 Cb 1.04 -1.33 0.56 0.00 -0.02 0.00 0.00 41.12 41.37 2rpa n ASP 45 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2rpa h THR 46 N 7.62 0.70 -0.23 -3.53 1.35 -1.97 0.18 112.91 117.03 2rpa h THR 46 Ca -0.07 -0.10 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 2rpa h THR 46 Cb 1.15 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2rpa h THR 46 CO 1.22 0.06 -0.32 0.45 -0.25 0.00 0.00 175.52 176.67 2rpa h HIS 47 N 0.30 0.56 0.12 4.73 3.86 -1.98 0.20 115.15 122.94 2rpa h HIS 47 Ca 0.41 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2rpa h HIS 47 Cb 1.13 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2rpa h HIS 47 CO -0.00 0.76 -0.06 1.25 0.86 0.00 0.00 177.93 180.74 2rpa h LEU 48 N 0.42 -0.14 -1.10 2.43 6.46 -1.04 -3.03 115.31 119.32 2rpa h LEU 48 Ca 0.05 -0.38 -0.09 0.00 -0.12 0.00 0.00 57.88 57.33 2rpa h LEU 48 Cb 0.77 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2rpa h LEU 48 CO 0.06 0.35 -0.41 0.08 -0.62 0.00 0.00 178.44 177.91 2rpa h ARG 49 N -0.68 0.08 -0.84 1.25 0.11 -1.37 -2.89 114.38 110.05 2rpa h ARG 49 Ca -0.02 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 60.06 2rpa h ARG 49 Cb 0.51 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.54 2rpa h ARG 49 CO 0.03 0.48 0.55 1.96 0.10 0.00 0.00 179.97 183.09 2rpa h GLN 50 N 0.07 1.02 0.02 0.08 1.08 -0.61 0.20 115.11 116.97 2rpa h GLN 50 Ca 0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2rpa h GLN 50 Cb 0.76 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2rpa h GLN 50 CO 0.06 0.68 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.38 2rpa h LYS 51 N 1.05 -0.02 -0.32 1.46 1.63 -1.38 -3.00 116.57 115.98 2rpa h LYS 51 Ca 0.33 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.08 2rpa h LYS 51 Cb 0.01 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2rpa h LYS 51 CO -0.09 0.36 0.00 -1.49 -3.45 0.00 0.00 179.45 174.77 2rpa h TRP 52 N -0.41 0.51 -0.27 1.91 -0.00 -1.45 -2.87 115.95 113.37 2rpa h TRP 52 Ca -0.00 -0.05 0.05 0.00 -0.00 0.00 0.00 58.89 58.89 2rpa h TRP 52 Cb 0.39 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.36 2rpa h TRP 52 CO 0.06 0.51 0.01 0.37 -0.00 0.00 0.00 178.44 179.38 2rpa h GLN 53 N 0.48 0.09 -0.71 0.49 4.15 -0.55 0.21 115.11 119.27 2rpa h GLN 53 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2rpa h GLN 53 Cb 0.31 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2rpa h GLN 53 CO 0.01 0.06 0.45 -0.56 -1.93 0.00 0.00 178.83 176.86 2rpa h GLN 54 N 0.09 0.95 -0.13 1.69 -0.00 -1.37 -2.14 115.11 114.20 2rpa h GLN 54 Ca 0.13 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.65 58.55 2rpa h GLN 54 Cb 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 2rpa h GLN 54 CO -0.21 0.64 -0.59 0.28 -0.00 0.00 0.00 178.83 178.95 2rpa h VAL 55 N 0.97 1.35 -0.67 1.86 2.07 -1.20 -3.05 116.25 117.59 2rpa h VAL 55 Ca 0.26 -1.90 0.17 0.00 0.82 0.00 0.00 66.70 66.05 2rpa h VAL 55 Cb -0.08 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2rpa h VAL 55 CO -0.05 0.58 0.47 -0.25 0.02 0.00 0.00 177.57 178.33 2rpa h TRP 56 N 0.31 0.18 -0.35 1.57 7.01 0.08 0.12 115.95 124.87 2rpa h TRP 56 Ca -0.00 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2rpa h TRP 56 Cb 1.12 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.11 2rpa h TRP 56 CO 0.04 0.06 -0.12 1.96 -2.79 0.00 0.00 178.44 177.59 2rpa h GLN 57 N 0.15 0.61 -0.03 2.65 1.08 -1.50 -2.15 115.11 115.92 2rpa h GLN 57 Ca 0.33 -0.19 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 2rpa h GLN 57 Cb 1.07 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 2rpa h GLN 57 CO -0.05 0.72 -0.66 0.93 -0.95 0.00 0.00 178.83 178.82 2rpa h GLU 58 N 0.56 0.12 -0.22 1.46 4.39 -0.90 -2.25 114.58 117.75 2rpa h GLU 58 Ca 0.10 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2rpa h GLU 58 Cb 0.54 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2rpa h GLU 58 CO 0.03 0.74 -0.21 0.82 -1.16 0.00 0.00 179.01 179.23 2rpa h ILE 59 N 0.09 1.32 0.49 3.13 1.08 -1.10 -1.82 117.51 120.71 2rpa h ILE 59 Ca -0.01 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2rpa h ILE 59 Cb 1.18 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 2rpa h ILE 59 CO 0.10 0.42 -0.24 -1.13 -0.69 0.00 0.00 178.15 176.61 2rpa h ASN 60 N 0.21 -0.56 -0.98 1.72 -1.24 -1.41 -2.73 115.58 110.59 2rpa h ASN 60 Ca 0.04 -0.07 0.17 0.00 0.71 0.00 0.00 56.30 57.15 2rpa h ASN 60 Cb 0.76 0.15 -0.09 0.00 0.73 0.00 0.00 38.32 39.86 2rpa h ASN 60 CO 0.05 -0.18 0.61 1.62 -1.29 0.00 0.00 177.43 178.24 2rpa h VAL 61 N -1.02 0.77 -0.20 2.57 3.04 -1.51 -1.24 116.25 118.67 2rpa h VAL 61 Ca -0.07 -0.26 0.01 0.00 -1.01 0.00 0.00 66.70 65.38 2rpa h VAL 61 Cb 0.60 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.81 2rpa h VAL 61 CO 0.11 0.14 0.09 -0.08 -1.01 0.00 0.00 177.57 176.82 2rpa h GLU 62 N 0.76 0.19 -0.55 4.17 4.57 -1.29 -1.78 114.58 120.63 2rpa h GLU 62 Ca 0.53 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.83 2rpa h GLU 62 Cb 0.82 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 2rpa h GLU 62 CO -0.30 0.12 0.39 0.00 -1.18 0.00 0.00 179.01 178.04 2rpa h ALA 63 N 1.11 2.34 -0.31 2.92 0.00 -0.91 -1.17 119.26 123.24 2rpa h ALA 63 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2rpa h ALA 63 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rpa h ALA 63 CO -0.06 -0.49 0.02 -0.22 0.00 0.00 0.00 179.25 178.50 2rpa h LYS 64 N 0.13 0.53 -0.31 0.00 3.64 -1.09 -3.13 116.57 116.35 2rpa h LYS 64 Ca 0.26 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2rpa h LYS 64 Cb 0.86 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 2rpa h LYS 64 CO -0.03 0.66 -0.00 1.96 -2.27 0.00 0.00 179.45 179.76 2rpa h GLN 65 N 0.34 0.09 -1.04 1.90 1.08 -1.00 -1.08 115.11 115.39 2rpa h GLN 65 Ca 0.09 -0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.56 2rpa h GLN 65 Cb 0.40 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.73 2rpa h GLN 65 CO 0.01 0.06 0.69 0.28 -0.95 0.00 0.00 178.83 178.92 2rpa h VAL 66 N 0.09 0.52 -0.25 -0.54 2.07 -1.46 0.56 116.25 117.23 2rpa h VAL 66 Ca 0.15 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2rpa h VAL 66 Cb 0.20 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2rpa h VAL 66 CO -0.26 0.06 0.03 0.50 0.02 0.00 0.00 177.57 177.93 2rpa h LYS 67 N 0.32 0.37 0.20 1.57 1.63 -1.18 -0.81 116.57 118.67 2rpa h LYS 67 Ca 0.57 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.31 2rpa h LYS 67 Cb 1.60 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 2rpa h LYS 67 CO -0.23 0.37 -0.10 0.22 -3.45 0.00 0.00 179.45 176.26 2rpa h ASP 68 N 0.36 -0.23 -0.97 4.20 1.82 0.13 -2.68 116.42 119.05 2rpa h ASP 68 Ca 0.09 -0.13 0.16 0.00 -0.39 0.00 0.00 57.03 56.76 2rpa h ASP 68 Cb 0.19 0.06 -0.10 0.00 0.68 0.00 0.00 39.33 40.16 2rpa h ASP 68 CO 0.00 0.29 0.58 0.16 -1.61 0.00 0.00 179.24 178.66 2rpa h ILE 69 N -1.03 0.76 0.00 2.25 3.07 -1.39 0.42 117.51 121.60 2rpa h ILE 69 Ca -0.03 -0.27 -0.02 0.00 1.55 0.00 0.00 64.86 66.09 2rpa h ILE 69 Cb 0.34 -0.10 -0.00 0.00 -0.27 0.00 0.00 36.82 36.79 2rpa h ILE 69 CO 0.04 0.15 -0.08 0.00 -1.05 0.00 0.00 178.15 177.21 2rpa h MET 70 N 0.80 0.00 -6.00 0.16 -0.00 -1.24 -3.42 114.93 105.22 2rpa h MET 70 Ca 0.54 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.67 2rpa h MET 70 Cb 0.75 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.29 2rpa h MET 70 CO -0.35 0.08 0.25 0.21 -0.00 0.00 0.00 176.91 177.10 2rpa s LYS 71 N -3.69 4.37 0.00 -0.10 2.47 0.15 -5.08 119.74 117.86 2rpa s LYS 71 Ca 0.01 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 2rpa s LYS 71 Cb 0.10 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2rpa s LYS 71 CO 0.58 -0.15 0.21 -2.37 0.16 0.00 0.00 175.35 173.78