#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa s ASP -4 N 0.00 5.58 0.44 4.04 -4.77 -1.26 -5.08 116.67 115.63 2rpa s ASP -4 Ca 0.00 -2.54 0.01 0.00 -3.30 0.00 0.00 52.55 46.72 2rpa s ASP -4 Cb 0.00 -1.94 -0.00 0.00 -1.09 0.00 0.00 42.92 39.89 2rpa s ASP -4 CO 0.00 -0.49 0.65 -1.00 0.70 0.00 0.00 175.17 175.03 2rpa s HIS -3 N 0.41 3.17 -0.13 2.11 3.76 -1.26 -5.05 115.29 118.30 2rpa s HIS -3 Ca 0.14 0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 2rpa s HIS -3 Cb -0.20 -2.31 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 2rpa s HIS -3 CO -0.04 -0.36 0.22 0.52 -0.85 0.00 0.00 174.74 174.23 2rpa h MET -2 N 0.44 0.00 -4.57 1.40 0.00 -2.07 -3.47 114.93 106.66 2rpa h MET -2 Ca -0.46 0.00 -0.59 0.00 0.00 0.00 0.00 59.70 58.66 2rpa h MET -2 Cb 1.26 0.00 0.05 0.00 0.00 0.00 0.00 31.60 32.90 2rpa h MET -2 CO 0.56 0.39 -0.03 2.41 0.00 0.00 0.00 176.91 180.24 2rpa n THR -1 N -4.67 0.25 -2.54 2.22 -1.04 -1.26 -4.88 114.28 102.35 2rpa n THR -1 Ca -0.07 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 2rpa n THR -1 Cb 0.24 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.78 2rpa n THR -1 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2rpa n MET 1 N 1.08 2.32 -2.53 -2.82 0.00 -1.26 -5.07 117.12 108.84 2rpa n MET 1 Ca 0.15 -3.77 -0.26 0.00 0.00 0.00 0.00 57.70 53.82 2rpa n MET 1 Cb 0.08 -1.79 0.02 0.00 0.00 0.00 0.00 33.22 31.54 2rpa n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2rpa s SER 2 N -3.55 5.78 0.36 3.17 1.04 -1.26 -4.99 113.70 114.25 2rpa s SER 2 Ca 0.36 0.71 0.18 0.00 0.48 0.00 0.00 55.95 57.67 2rpa s SER 2 Cb 0.39 -1.81 0.61 0.00 0.10 0.00 0.00 66.02 65.31 2rpa s SER 2 CO -0.03 -0.90 1.70 0.25 0.98 0.00 0.00 173.24 175.25 2rpa h LEU 3 N -0.00 0.00 -0.33 2.42 7.12 -2.01 -3.19 115.31 119.31 2rpa h LEU 3 Ca -0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2rpa h LEU 3 Cb 1.24 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.36 2rpa h LEU 3 CO 0.60 0.41 0.22 -0.61 -0.13 0.00 0.00 178.44 178.93 2rpa h GLN 4 N 0.00 0.44 0.00 1.25 5.75 -1.99 -1.13 115.11 119.43 2rpa h GLN 4 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2rpa h GLN 4 Cb 0.94 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2rpa h GLN 4 CO 0.05 0.30 0.37 0.52 -2.65 0.00 0.00 178.83 177.42 2rpa h MET 5 N 0.45 0.00 0.00 1.69 2.86 -1.96 0.19 114.93 118.16 2rpa h MET 5 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2rpa h MET 5 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2rpa h MET 5 CO -0.03 0.00 -0.34 -0.89 1.06 0.00 0.00 176.91 176.71 2rpa n ILE 6 N -2.54 0.78 -0.19 -1.22 2.08 -0.48 -4.15 119.36 113.64 2rpa n ILE 6 Ca -0.01 0.34 0.22 0.00 0.56 0.00 0.00 62.75 63.85 2rpa n ILE 6 Cb 0.40 -1.98 0.60 0.00 -0.75 0.00 0.00 39.64 37.91 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 -0.54 0.66 -1.00 1.39 -1.51 -1.05 0.66 116.25 114.86 2rpa h VAL 7 Ca 0.00 -0.08 0.06 0.00 -1.23 0.00 0.00 66.70 65.44 2rpa h VAL 7 Cb 0.34 0.40 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 2rpa h VAL 7 CO 0.00 0.04 0.65 1.05 -1.23 0.00 0.00 177.57 178.08 2rpa h GLU 8 N 0.24 1.17 -0.75 5.19 4.11 -0.84 -1.28 114.58 122.42 2rpa h GLU 8 Ca 0.42 -0.07 0.14 0.00 0.07 0.00 0.00 59.36 59.92 2rpa h GLU 8 Cb 1.28 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2rpa h GLU 8 CO -0.10 0.77 0.50 -0.91 0.07 0.00 0.00 179.01 179.34 2rpa h ASN 9 N 1.20 0.43 -0.10 3.06 -0.26 -1.02 -1.82 115.58 117.08 2rpa h ASN 9 Ca 0.42 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.21 2rpa h ASN 9 Cb 0.11 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 2rpa h ASN 9 CO -0.15 0.23 -0.06 0.58 -1.06 0.00 0.00 177.43 176.97 2rpa h VAL 10 N 0.46 0.81 -0.98 2.81 2.07 -1.30 -1.42 116.25 118.70 2rpa h VAL 10 Ca 0.36 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.09 2rpa h VAL 10 Cb 0.76 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2rpa h VAL 10 CO -0.12 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.20 2rpa h LYS 11 N -0.06 0.56 -0.24 1.57 1.79 -1.39 0.20 116.57 119.00 2rpa h LYS 11 Ca 0.06 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 2rpa h LYS 11 Cb 0.15 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2rpa h LYS 11 CO -0.14 0.37 -0.31 1.25 -1.08 0.00 0.00 179.45 179.54 2rpa h LEU 12 N 0.58 0.68 -0.48 2.94 7.12 -1.31 -2.80 115.31 122.04 2rpa h LEU 12 Ca 0.55 -0.50 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 2rpa h LEU 12 Cb 1.10 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 2rpa h LEU 12 CO -0.30 1.05 0.13 0.00 -0.13 0.00 0.00 178.44 179.19 2rpa h ALA 13 N 0.65 0.63 -0.95 1.25 0.00 -0.00 -2.65 119.26 118.19 2rpa h ALA 13 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2rpa h ALA 13 Cb 0.88 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2rpa h ALA 13 CO 0.07 0.31 0.62 -0.09 0.00 0.00 0.00 179.25 180.16 2rpa h ARG 14 N 0.64 1.12 -0.71 0.00 2.43 -0.72 -1.76 114.38 115.38 2rpa h ARG 14 Ca 0.15 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2rpa h ARG 14 Cb 0.31 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2rpa h ARG 14 CO -0.00 0.74 0.19 1.49 -1.51 0.00 0.00 179.97 180.87 2rpa h GLU 15 N 1.15 1.13 -0.67 0.20 4.57 -1.25 -2.86 114.58 116.86 2rpa h GLU 15 Ca 0.39 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2rpa h GLU 15 Cb 0.09 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2rpa h GLU 15 CO -0.13 0.99 0.22 1.88 -1.18 0.00 0.00 179.01 180.78 2rpa h TYR 16 N 1.07 1.06 -0.84 0.92 -1.99 -1.01 -1.93 116.97 114.26 2rpa h TYR 16 Ca 0.22 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.94 2rpa h TYR 16 Cb 0.36 -0.31 -0.06 0.00 2.00 0.00 0.00 36.73 38.72 2rpa h TYR 16 CO 0.03 0.85 0.54 0.00 -0.00 0.00 0.00 178.16 179.59 2rpa h ALA 17 N 1.09 1.67 0.08 3.88 0.00 -1.13 0.48 119.26 125.32 2rpa h ALA 17 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2rpa h ALA 17 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rpa h ALA 17 CO -0.01 0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 179.31 2rpa h LEU 18 N 0.84 -0.09 -1.81 0.00 3.38 -1.32 -3.20 115.31 113.12 2rpa h LEU 18 Ca 0.38 -0.51 0.28 0.00 0.09 0.00 0.00 57.88 58.12 2rpa h LEU 18 Cb 0.36 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2rpa h LEU 18 CO -0.15 0.52 0.72 -0.07 0.09 0.00 0.00 178.44 179.55 2rpa h LEU 19 N -0.76 0.14 0.00 1.67 4.07 -1.05 -3.44 115.31 115.94 2rpa h LEU 19 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2rpa h LEU 19 Cb 0.59 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2rpa h LEU 19 CO 0.02 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 2rpa n GLY 20 N -1.66 1.17 3.43 0.83 0.00 -0.74 -5.07 105.19 103.15 2rpa n GLY 20 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.54 6.75 -0.06 1.61 3.04 0.08 -4.80 114.94 121.02 2rpa s ASN 21 Ca 0.00 -2.36 -0.15 0.00 0.04 0.00 0.00 52.86 50.39 2rpa s ASN 21 Cb 0.00 -2.37 -0.30 0.00 -1.54 0.00 0.00 41.25 37.04 2rpa s ASN 21 CO 0.00 -0.91 0.69 1.88 -3.04 0.00 0.00 177.10 175.72 2rpa h TYR 22 N 8.32 0.62 -0.93 0.43 -1.99 -1.80 -3.01 116.97 118.60 2rpa h TYR 22 Ca 0.18 -0.45 0.18 0.00 2.00 0.00 0.00 58.73 60.63 2rpa h TYR 22 Cb 0.99 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.60 2rpa h TYR 22 CO 1.12 1.57 0.52 0.22 -0.00 0.00 0.00 178.16 181.59 2rpa h ASP 23 N -0.12 0.64 0.43 3.88 3.58 -1.95 0.34 116.42 123.23 2rpa h ASP 23 Ca -0.29 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.19 2rpa h ASP 23 Cb 1.91 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2rpa h ASP 23 CO 0.14 0.23 -0.31 0.77 -2.88 0.00 0.00 179.24 177.19 2rpa h SER 24 N 0.68 0.00 0.37 2.28 4.64 -1.97 -2.72 113.55 116.83 2rpa h SER 24 Ca 0.53 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.66 2rpa h SER 24 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2rpa h SER 24 CO -0.39 0.31 -0.80 0.00 -0.87 0.00 0.00 176.83 175.08 2rpa h ALA 25 N 1.69 0.55 0.48 5.18 0.00 -0.45 -3.15 119.26 123.57 2rpa h ALA 25 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2rpa h ALA 25 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2rpa h ALA 25 CO 0.04 0.81 -0.36 0.52 0.00 0.00 0.00 179.25 180.26 2rpa h MET 26 N 0.21 -0.80 -0.73 0.00 2.07 -0.92 0.22 114.93 114.98 2rpa h MET 26 Ca -0.04 0.05 0.12 0.00 -2.07 0.00 0.00 59.70 57.77 2rpa h MET 26 Cb 1.40 0.18 -0.05 0.00 -1.87 0.00 0.00 31.60 31.26 2rpa h MET 26 CO 0.13 -0.53 0.48 -0.39 1.07 0.00 0.00 176.91 177.68 2rpa h VAL 27 N -0.83 0.85 0.21 -2.22 -1.51 -1.64 -0.14 116.25 110.98 2rpa h VAL 27 Ca -0.05 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.24 2rpa h VAL 27 Cb 0.70 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2rpa h VAL 27 CO 0.01 0.09 -0.10 1.88 -1.23 0.00 0.00 177.57 178.22 2rpa h TYR 28 N 0.49 -0.26 -0.42 5.19 -1.99 -1.37 -2.76 116.97 115.85 2rpa h TYR 28 Ca 0.35 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.14 2rpa h TYR 28 Cb 0.68 0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.44 2rpa h TYR 28 CO -0.00 0.13 0.09 1.88 -0.00 0.00 0.00 178.16 180.25 2rpa h TYR 29 N -0.83 0.14 -0.55 4.88 0.05 -0.14 -0.34 116.97 120.19 2rpa h TYR 29 Ca -0.03 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.86 2rpa h TYR 29 Cb 0.51 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 2rpa h TYR 29 CO 0.06 0.01 0.37 0.37 -1.05 0.00 0.00 178.16 177.93 2rpa h GLN 30 N 0.22 0.38 -0.11 4.88 5.75 -1.11 -0.51 115.11 124.61 2rpa h GLN 30 Ca 0.20 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.50 2rpa h GLN 30 Cb 0.25 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.72 2rpa h GLN 30 CO -0.27 0.25 -0.65 0.78 -2.65 0.00 0.00 178.83 176.30 2rpa h GLY 31 N 0.39 0.69 0.98 2.39 0.00 -0.80 -2.17 103.07 104.56 2rpa h GLY 31 Ca 0.25 -1.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 2rpa h GLY 31 CO -0.07 0.90 0.01 -2.08 0.00 0.00 0.00 176.54 175.30 2rpa h VAL 32 N 0.28 1.26 -0.31 4.60 2.07 -0.51 -0.08 116.25 123.55 2rpa h VAL 32 Ca -0.05 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 2rpa h VAL 32 Cb 1.29 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2rpa h VAL 32 CO 0.13 0.36 -0.22 -0.07 0.02 0.00 0.00 177.57 177.79 2rpa h LEU 33 N 0.65 0.60 0.02 2.57 4.07 -1.19 0.10 115.31 122.13 2rpa h LEU 33 Ca 0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2rpa h LEU 33 Cb 0.48 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2rpa h LEU 33 CO 0.02 0.81 -0.01 0.44 -1.08 0.00 0.00 178.44 178.63 2rpa h ASP 34 N 0.53 -0.02 -0.44 -0.43 3.32 -1.22 -2.71 116.42 115.44 2rpa h ASP 34 Ca 0.08 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 2rpa h ASP 34 Cb 0.67 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2rpa h ASP 34 CO 0.05 0.53 0.11 1.56 -1.72 0.00 0.00 179.24 179.78 2rpa h GLN 35 N -0.59 0.71 -0.33 3.56 1.08 -0.99 -2.89 115.11 115.65 2rpa h GLN 35 Ca -0.00 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2rpa h GLN 35 Cb 0.56 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 2rpa h GLN 35 CO 0.00 0.70 -0.04 0.52 -0.95 0.00 0.00 178.83 179.06 2rpa h MET 36 N 0.58 0.04 -0.47 1.46 2.86 -0.86 -2.06 114.93 116.48 2rpa h MET 36 Ca 0.14 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 2rpa h MET 36 Cb 0.31 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 2rpa h MET 36 CO 0.00 0.03 0.10 -0.91 1.06 0.00 0.00 176.91 177.18 2rpa h ASN 37 N 0.04 0.01 -0.93 1.22 2.35 -1.37 -0.33 115.58 116.57 2rpa h ASN 37 Ca 0.16 0.08 0.20 0.00 -0.55 0.00 0.00 56.30 56.19 2rpa h ASN 37 Cb 0.23 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 2rpa h ASN 37 CO -0.31 0.04 0.60 0.11 -1.65 0.00 0.00 177.43 176.22 2rpa h LYS 38 N 0.23 0.49 0.14 0.81 1.57 -1.18 -0.45 116.57 118.18 2rpa h LYS 38 Ca 0.23 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2rpa h LYS 38 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2rpa h LYS 38 CO -0.30 0.32 -0.07 -0.92 -0.57 0.00 0.00 179.45 177.91 2rpa h TYR 39 N 0.50 -0.17 -0.97 -1.35 5.03 -0.78 -2.77 116.97 116.46 2rpa h TYR 39 Ca 0.49 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.99 2rpa h TYR 39 Cb 1.09 0.06 -0.09 0.00 1.55 0.00 0.00 36.73 39.34 2rpa h TYR 39 CO -0.00 0.29 0.61 -0.07 -1.32 0.00 0.00 178.16 177.67 2rpa h LEU 40 N -0.81 0.67 -0.88 2.82 3.38 -0.58 0.18 115.31 120.09 2rpa h LEU 40 Ca -0.02 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2rpa h LEU 40 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2rpa h LEU 40 CO 0.03 0.26 -0.31 0.22 0.09 0.00 0.00 178.44 178.72 2rpa h TYR 41 N 0.66 0.52 -0.07 1.13 5.03 -1.14 -2.32 116.97 120.78 2rpa h TYR 41 Ca 0.53 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.72 2rpa h TYR 41 Cb 0.96 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2rpa h TYR 41 CO -0.00 0.72 0.00 0.45 -1.32 0.00 0.00 178.16 178.01 2rpa n SER 42 N -4.08 0.75 -4.93 -2.11 2.88 0.61 -4.85 113.62 101.89 2rpa n SER 42 Ca -0.01 -2.03 -0.25 0.00 -1.33 0.00 0.00 58.87 55.25 2rpa n SER 42 Cb 0.44 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2rpa n SER 42 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rpa s VAL 43 N -1.66 4.95 0.00 2.46 1.01 -0.88 -5.02 120.40 121.26 2rpa s VAL 43 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2rpa s VAL 43 Cb 0.03 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2rpa s VAL 43 CO 0.03 -0.61 0.00 2.29 0.00 0.00 0.00 175.10 176.80 2rpa n LYS 44 N -1.94 2.07 -2.92 2.72 -0.00 -1.26 -5.00 118.16 111.84 2rpa n LYS 44 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.86 2rpa n LYS 44 Cb 0.56 -0.88 -0.05 0.00 -0.00 0.00 0.00 35.03 34.66 2rpa n LYS 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2rpa s ASP 45 N -2.90 6.56 0.36 -5.58 2.15 -1.26 -4.92 116.67 111.07 2rpa s ASP 45 Ca 0.00 0.35 0.12 0.00 0.43 0.00 0.00 52.55 53.45 2rpa s ASP 45 Cb 0.00 -2.41 0.93 0.00 -0.30 0.00 0.00 42.92 41.14 2rpa s ASP 45 CO 0.00 -0.79 1.80 0.74 -0.17 0.00 0.00 175.17 176.74 2rpa h THR 46 N 5.81 0.65 -0.21 1.71 2.02 -1.99 0.32 112.91 121.22 2rpa h THR 46 Ca -0.24 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2rpa h THR 46 Cb 1.09 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2rpa h THR 46 CO 0.94 0.10 -0.27 0.45 0.37 0.00 0.00 175.52 177.11 2rpa h HIS 47 N 0.57 0.44 0.06 3.16 3.86 -1.97 0.37 115.15 121.64 2rpa h HIS 47 Ca 0.56 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2rpa h HIS 47 Cb 1.14 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2rpa h HIS 47 CO -0.00 0.63 -0.03 1.25 0.86 0.00 0.00 177.93 180.63 2rpa h LEU 48 N 0.35 -0.07 -0.68 2.43 7.12 -0.80 -2.83 115.31 120.82 2rpa h LEU 48 Ca 0.05 -0.36 -0.14 0.00 0.13 0.00 0.00 57.88 57.57 2rpa h LEU 48 Cb 0.65 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 2rpa h LEU 48 CO 0.05 0.33 -0.65 0.08 -0.13 0.00 0.00 178.44 178.12 2rpa h ARG 49 N -0.49 0.00 -0.27 1.25 0.11 -1.31 -3.07 114.38 110.60 2rpa h ARG 49 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2rpa h ARG 49 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2rpa h ARG 49 CO 0.01 0.65 0.11 0.37 0.10 0.00 0.00 179.97 181.21 2rpa h GLN 50 N 0.00 0.37 0.10 0.08 5.75 -0.24 0.34 115.11 121.51 2rpa h GLN 50 Ca -0.01 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2rpa h GLN 50 Cb 1.17 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2rpa h GLN 50 CO 0.08 0.31 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.31 2rpa h LYS 51 N 0.37 -0.13 -0.31 1.69 1.63 -1.40 -3.05 116.57 115.38 2rpa h LYS 51 Ca 0.09 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2rpa h LYS 51 Cb 0.08 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2rpa h LYS 51 CO -0.01 0.28 -0.04 -1.49 -3.45 0.00 0.00 179.45 174.74 2rpa h TRP 52 N -0.57 0.51 -0.98 1.91 -0.00 -1.54 -2.64 115.95 112.63 2rpa h TRP 52 Ca -0.01 -0.06 0.09 0.00 -0.00 0.00 0.00 58.89 58.91 2rpa h TRP 52 Cb 0.46 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.16 29.41 2rpa h TRP 52 CO 0.06 0.54 0.63 0.37 -0.00 0.00 0.00 178.44 180.04 2rpa h GLN 53 N 0.47 1.04 -0.56 0.49 4.15 -0.91 0.17 115.11 119.96 2rpa h GLN 53 Ca 0.10 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2rpa h GLN 53 Cb 0.37 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2rpa h GLN 53 CO 0.02 0.69 0.06 0.37 -1.93 0.00 0.00 178.83 178.04 2rpa h GLN 54 N 1.07 0.92 -0.08 1.69 4.15 -1.36 -2.88 115.11 118.62 2rpa h GLN 54 Ca 0.45 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 2rpa h GLN 54 Cb 0.30 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.89 2rpa h GLN 54 CO -0.20 0.87 -0.39 0.28 -1.93 0.00 0.00 178.83 177.46 2rpa h VAL 55 N 0.86 1.40 -0.78 2.39 2.07 -1.21 -3.15 116.25 117.83 2rpa h VAL 55 Ca 0.17 -1.76 0.22 0.00 0.82 0.00 0.00 66.70 66.15 2rpa h VAL 55 Cb 0.42 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 2rpa h VAL 55 CO 0.01 0.52 0.56 -0.25 0.02 0.00 0.00 177.57 178.42 2rpa h TRP 56 N -0.05 0.03 -0.14 1.57 7.01 -0.63 0.11 115.95 123.86 2rpa h TRP 56 Ca -0.02 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2rpa h TRP 56 Cb 1.04 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.08 2rpa h TRP 56 CO 0.12 0.01 -0.01 1.96 -2.79 0.00 0.00 178.44 177.74 2rpa h GLN 57 N 0.03 0.25 -0.21 2.65 1.08 -1.47 -1.27 115.11 116.17 2rpa h GLN 57 Ca 0.37 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 57.36 2rpa h GLN 57 Cb 1.45 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2rpa h GLN 57 CO -0.01 0.49 -0.36 1.05 -0.95 0.00 0.00 178.83 179.05 2rpa h GLU 58 N -0.02 0.61 -0.57 1.46 4.11 -1.14 -2.00 114.58 117.03 2rpa h GLU 58 Ca 0.04 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 59.10 2rpa h GLU 58 Cb 0.39 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2rpa h GLU 58 CO 0.01 0.99 0.38 0.82 0.07 0.00 0.00 179.01 181.28 2rpa h ILE 59 N 0.30 1.13 0.11 -1.06 2.04 -0.88 -1.68 117.51 117.46 2rpa h ILE 59 Ca 0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2rpa h ILE 59 Cb 0.95 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2rpa h ILE 59 CO 0.08 0.14 -0.05 -1.13 0.00 0.00 0.00 178.15 177.18 2rpa h ASN 60 N 0.75 -0.13 -0.97 1.72 -0.00 -1.17 -3.02 115.58 112.76 2rpa h ASN 60 Ca 0.22 -0.44 0.20 0.00 -0.00 0.00 0.00 56.30 56.27 2rpa h ASN 60 Cb -0.04 0.03 -0.11 0.00 -0.00 0.00 0.00 38.32 38.20 2rpa h ASN 60 CO -0.05 0.47 0.56 0.58 -0.00 0.00 0.00 177.43 178.99 2rpa h VAL 61 N -0.82 0.65 -0.56 2.57 2.07 -1.19 0.17 116.25 119.15 2rpa h VAL 61 Ca -0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2rpa h VAL 61 Cb 0.56 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2rpa h VAL 61 CO 0.03 0.12 0.29 -0.08 0.02 0.00 0.00 177.57 177.94 2rpa h GLU 62 N 0.67 0.79 -0.11 1.57 4.57 -1.36 -2.08 114.58 118.64 2rpa h GLU 62 Ca 0.57 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2rpa h GLU 62 Cb 0.94 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2rpa h GLU 62 CO -0.41 0.63 0.07 0.00 -1.18 0.00 0.00 179.01 178.12 2rpa h ALA 63 N 1.12 1.93 -0.11 2.92 0.00 -0.84 -1.89 119.26 122.39 2rpa h ALA 63 Ca 0.19 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2rpa h ALA 63 Cb 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rpa h ALA 63 CO -0.03 0.06 -0.83 -0.22 0.00 0.00 0.00 179.25 178.24 2rpa h LYS 64 N 0.14 0.71 0.08 0.00 1.63 -0.84 -3.27 116.57 115.02 2rpa h LYS 64 Ca 0.04 -0.61 -0.00 0.00 -0.85 0.00 0.00 60.65 59.22 2rpa h LYS 64 Cb -0.01 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2rpa h LYS 64 CO -0.01 1.22 -0.04 1.96 -3.45 0.00 0.00 179.45 179.13 2rpa h GLN 65 N 0.47 -0.10 -1.13 1.90 4.20 -0.72 -2.58 115.11 117.15 2rpa h GLN 65 Ca -0.06 0.01 0.31 0.00 0.06 0.00 0.00 58.65 58.97 2rpa h GLN 65 Cb 1.45 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.17 2rpa h GLN 65 CO 0.16 0.02 0.74 0.28 -0.67 0.00 0.00 178.83 179.36 2rpa h VAL 66 N -0.20 0.42 -0.21 -0.54 2.07 -1.49 0.80 116.25 117.10 2rpa h VAL 66 Ca -0.01 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2rpa h VAL 66 Cb 0.17 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2rpa h VAL 66 CO 0.02 0.05 -0.11 0.11 0.02 0.00 0.00 177.57 177.66 2rpa h LYS 67 N 0.26 0.34 0.01 1.57 1.57 -1.51 -0.50 116.57 118.31 2rpa h LYS 67 Ca 0.63 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2rpa h LYS 67 Cb 1.87 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2rpa h LYS 67 CO -0.26 0.45 -0.01 0.22 -0.57 0.00 0.00 179.45 179.29 2rpa h ASP 68 N 0.32 -0.01 -0.96 0.86 3.58 0.59 -3.33 116.42 117.46 2rpa h ASP 68 Ca 0.06 -0.76 0.07 0.00 0.42 0.00 0.00 57.03 56.82 2rpa h ASP 68 Cb 0.39 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 2rpa h ASP 68 CO 0.02 0.84 0.61 0.16 -2.88 0.00 0.00 179.24 177.99 2rpa h ILE 69 N -0.95 1.06 -3.98 2.25 3.07 -1.21 -3.42 117.51 114.33 2rpa h ILE 69 Ca -0.00 -0.38 -0.51 0.00 1.55 0.00 0.00 64.86 65.52 2rpa h ILE 69 Cb 0.78 -0.14 0.07 0.00 -0.27 0.00 0.00 36.82 37.26 2rpa h ILE 69 CO 0.00 0.20 0.52 0.00 -1.05 0.00 0.00 178.15 177.82 2rpa s MET 70 N -6.04 3.82 0.36 0.16 0.23 -0.20 -5.04 119.30 112.58 2rpa s MET 70 Ca -0.12 1.89 0.01 0.00 -1.03 0.00 0.00 55.69 56.43 2rpa s MET 70 Cb 0.20 -2.52 0.07 0.00 -1.53 0.00 0.00 34.83 31.05 2rpa s MET 70 CO 0.81 -0.53 0.49 1.63 -2.03 0.00 0.00 175.02 175.38 2rpa n LYS 71 N -0.29 0.38 0.00 3.16 4.76 -1.26 -4.91 118.16 120.00 2rpa n LYS 71 Ca 0.06 -1.45 0.14 0.00 -2.87 0.00 0.00 58.31 54.19 2rpa n LYS 71 Cb 0.47 -0.29 0.83 0.00 -1.84 0.00 0.00 35.03 34.20 2rpa n LYS 71 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28