#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 -0.99 0.11 -3.46 3.58 -2.05 -2.88 116.42 110.74 2rpa h ASP -4 Ca 0.00 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.52 2rpa h ASP -4 Cb 0.00 0.29 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 2rpa h ASP -4 CO 0.00 -0.62 -0.45 0.45 -2.88 0.00 0.00 179.24 175.74 2rpa h HIS -3 N -0.99 -1.28 -0.81 0.28 3.86 -2.07 -2.38 115.15 111.76 2rpa h HIS -3 Ca -0.08 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.30 2rpa h HIS -3 Cb 0.79 0.55 -0.14 0.00 1.06 0.00 0.00 27.41 29.67 2rpa h HIS -3 CO -0.09 -0.54 -0.29 -0.12 0.86 0.00 0.00 177.93 177.75 2rpa n MET -2 N -5.47 -0.16 -3.13 2.45 0.00 -1.20 -3.77 117.12 105.84 2rpa n MET -2 Ca -0.07 1.25 -0.41 0.00 -0.00 0.00 0.00 57.70 58.47 2rpa n MET -2 Cb 0.39 -1.86 -0.07 0.00 0.00 0.00 0.00 33.22 31.68 2rpa n MET -2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2rpa s THR -1 N -5.83 4.93 0.11 1.12 -1.32 -0.90 -5.02 115.64 108.72 2rpa s THR -1 Ca -0.11 0.69 -0.31 0.00 -1.21 0.00 0.00 61.69 60.75 2rpa s THR -1 Cb 0.18 -4.02 -0.09 0.00 -1.51 0.00 0.00 72.50 67.05 2rpa s THR -1 CO 0.59 -0.22 1.67 -0.04 -2.21 0.00 0.00 174.62 174.42 2rpa s MET 1 N 2.62 4.19 -0.11 7.08 1.00 -1.25 -4.83 119.30 128.01 2rpa s MET 1 Ca 0.24 2.40 -0.09 0.00 0.00 0.00 0.00 55.69 58.24 2rpa s MET 1 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 34.83 31.19 2rpa s MET 1 CO 0.13 -0.73 -0.18 0.43 0.00 0.00 0.00 175.02 174.68 2rpa n SER 2 N 5.15 1.24 -0.06 3.03 7.64 -1.26 -4.57 113.62 124.79 2rpa n SER 2 Ca 0.16 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.35 2rpa n SER 2 Cb 0.39 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.74 2rpa n SER 2 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2rpa n LEU 3 N -3.81 0.14 -0.23 -3.43 7.94 -1.26 -4.38 117.00 111.98 2rpa n LEU 3 Ca -0.07 0.07 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2rpa n LEU 3 Cb 0.26 0.31 0.14 0.00 0.53 0.00 0.00 43.42 44.67 2rpa n LEU 3 CO 0.11 0.33 0.98 -0.61 -1.11 0.00 0.00 177.39 177.09 2rpa h GLN 4 N 0.00 0.38 0.00 1.96 5.75 -1.97 0.39 115.11 121.62 2rpa h GLN 4 Ca -0.36 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2rpa h GLN 4 Cb 1.86 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.33 2rpa h GLN 4 CO 0.03 0.25 0.23 0.52 -2.65 0.00 0.00 178.83 177.21 2rpa h MET 5 N 0.39 0.00 0.00 1.69 2.86 -1.81 0.37 114.93 118.44 2rpa h MET 5 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2rpa h MET 5 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2rpa h MET 5 CO -0.37 0.00 -0.58 -0.89 1.06 0.00 0.00 176.91 176.13 2rpa n ILE 6 N -2.59 1.10 -0.00 -1.22 2.08 0.13 -4.05 119.36 114.80 2rpa n ILE 6 Ca -0.02 0.26 0.14 0.00 0.56 0.00 0.00 62.75 63.69 2rpa n ILE 6 Cb 0.27 -2.16 0.59 0.00 -0.75 0.00 0.00 39.64 37.59 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 -0.75 0.86 -0.76 1.39 -1.51 -1.07 -0.84 116.25 113.56 2rpa h VAL 7 Ca 0.00 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 2rpa h VAL 7 Cb 0.58 0.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.34 2rpa h VAL 7 CO 0.00 0.04 0.31 1.05 -1.23 0.00 0.00 177.57 177.74 2rpa h GLU 8 N 0.20 1.12 -0.44 5.19 -0.00 -0.47 -2.09 114.58 118.10 2rpa h GLU 8 Ca 0.23 -0.19 0.13 0.00 -0.00 0.00 0.00 59.36 59.52 2rpa h GLU 8 Cb 0.62 -0.19 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 2rpa h GLU 8 CO -0.04 0.91 0.43 -0.91 -0.00 0.00 0.00 179.01 179.40 2rpa h ASN 9 N 1.10 0.00 0.39 3.06 2.35 -1.29 0.31 115.58 121.51 2rpa h ASN 9 Ca 0.26 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2rpa h ASN 9 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2rpa h ASN 9 CO -0.02 0.00 -0.49 0.58 -1.65 0.00 0.00 177.43 175.85 2rpa h VAL 10 N 0.00 1.35 -0.77 2.81 2.07 -1.45 -2.93 116.25 117.32 2rpa h VAL 10 Ca 0.21 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2rpa h VAL 10 Cb 1.06 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2rpa h VAL 10 CO -0.00 0.49 0.38 0.11 0.02 0.00 0.00 177.57 178.57 2rpa h LYS 11 N 0.09 1.10 -0.20 1.57 1.79 -0.47 -0.58 116.57 119.87 2rpa h LYS 11 Ca 0.00 -0.15 -0.16 0.00 -2.18 0.00 0.00 60.65 58.16 2rpa h LYS 11 Cb 0.90 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2rpa h LYS 11 CO 0.07 0.84 -0.53 1.25 -1.08 0.00 0.00 179.45 179.99 2rpa h LEU 12 N 1.10 0.64 0.07 2.94 7.12 -1.55 -2.94 115.31 122.69 2rpa h LEU 12 Ca 0.27 -0.34 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 2rpa h LEU 12 Cb 0.09 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 2rpa h LEU 12 CO -0.04 1.05 -0.03 0.00 -0.13 0.00 0.00 178.44 179.29 2rpa h ALA 13 N 0.96 -0.09 -0.64 1.25 0.00 -1.28 -2.85 119.26 116.61 2rpa h ALA 13 Ca 0.01 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2rpa h ALA 13 Cb 1.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2rpa h ALA 13 CO 0.10 -0.37 0.44 -0.09 0.00 0.00 0.00 179.25 179.34 2rpa h ARG 14 N -0.46 0.18 -0.33 0.00 2.43 -1.16 -0.72 114.38 114.32 2rpa h ARG 14 Ca -0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2rpa h ARG 14 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2rpa h ARG 14 CO 0.02 0.12 -0.10 1.49 -1.51 0.00 0.00 179.97 179.98 2rpa h GLU 15 N 0.19 0.65 -0.84 0.20 4.81 -1.37 -3.08 114.58 115.14 2rpa h GLU 15 Ca 0.31 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2rpa h GLU 15 Cb 0.95 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 2rpa h GLU 15 CO -0.05 0.84 0.53 1.88 -0.73 0.00 0.00 179.01 181.48 2rpa h TYR 16 N 0.43 1.00 -0.99 0.92 -1.99 -0.91 -1.27 116.97 114.16 2rpa h TYR 16 Ca 0.08 0.03 0.13 0.00 2.00 0.00 0.00 58.73 60.97 2rpa h TYR 16 Cb 0.61 -0.33 -0.09 0.00 2.00 0.00 0.00 36.73 38.93 2rpa h TYR 16 CO 0.05 0.56 0.62 0.00 -0.00 0.00 0.00 178.16 179.39 2rpa h ALA 17 N 1.36 1.59 0.11 3.88 0.00 -0.99 0.65 119.26 125.86 2rpa h ALA 17 Ca 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2rpa h ALA 17 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2rpa h ALA 17 CO -0.13 0.14 -0.05 -0.07 0.00 0.00 0.00 179.25 179.14 2rpa h LEU 18 N 0.92 -0.13 -1.24 0.00 3.38 -1.32 -3.26 115.31 113.66 2rpa h LEU 18 Ca 0.50 -0.44 0.35 0.00 0.09 0.00 0.00 57.88 58.38 2rpa h LEU 18 Cb 0.58 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 2rpa h LEU 18 CO -0.27 0.48 0.70 -0.07 0.09 0.00 0.00 178.44 179.37 2rpa h LEU 19 N -0.86 0.40 0.00 1.67 3.38 -0.93 -3.44 115.31 115.53 2rpa h LEU 19 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2rpa h LEU 19 Cb 0.56 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2rpa h LEU 19 CO 0.03 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.07 2rpa n GLY 20 N -1.42 0.67 3.36 0.83 0.00 -0.69 -5.11 105.19 102.82 2rpa n GLY 20 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 5.82 -0.21 1.61 3.04 0.14 -4.92 114.94 120.43 2rpa s ASN 21 Ca 0.00 -1.19 -0.03 0.00 0.04 0.00 0.00 52.86 51.67 2rpa s ASN 21 Cb 0.00 -2.06 -0.20 0.00 -1.54 0.00 0.00 41.25 37.45 2rpa s ASN 21 CO 0.00 -0.49 0.01 -1.22 -3.04 0.00 0.00 177.10 172.36 2rpa n TYR 22 N 5.03 0.53 -0.35 0.43 4.02 -1.26 -1.76 117.16 123.80 2rpa n TYR 22 Ca -0.11 0.12 0.13 0.00 -0.01 0.00 0.00 57.90 58.03 2rpa n TYR 22 Cb 0.45 -1.07 0.33 0.00 -0.02 0.00 0.00 39.34 39.03 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 -0.08 0.78 0.31 7.72 3.58 -1.95 0.42 116.42 127.20 2rpa h ASP 23 Ca -0.52 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 56.98 2rpa h ASP 23 Cb 1.91 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 2rpa h ASP 23 CO -0.05 0.27 -0.21 0.28 -2.88 0.00 0.00 179.24 176.65 2rpa h SER 24 N 0.75 0.00 -0.02 2.28 0.02 -1.97 -2.64 113.55 111.96 2rpa h SER 24 Ca 0.58 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.32 2rpa h SER 24 Cb 0.92 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.47 2rpa h SER 24 CO -0.38 0.21 -0.78 0.00 -1.14 0.00 0.00 176.83 174.74 2rpa h ALA 25 N 1.79 0.38 0.23 3.77 0.00 -0.35 -3.18 119.26 121.89 2rpa h ALA 25 Ca -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.31 2rpa h ALA 25 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2rpa h ALA 25 CO 0.03 0.71 -0.33 0.52 0.00 0.00 0.00 179.25 180.18 2rpa h MET 26 N 0.46 -0.60 -0.96 0.00 2.07 -1.03 0.22 114.93 115.09 2rpa h MET 26 Ca -0.05 0.04 0.19 0.00 -2.07 0.00 0.00 59.70 57.81 2rpa h MET 26 Cb 1.40 0.14 -0.09 0.00 -1.87 0.00 0.00 31.60 31.18 2rpa h MET 26 CO 0.15 -0.40 0.61 -0.39 1.07 0.00 0.00 176.91 177.95 2rpa h VAL 27 N -0.62 0.72 0.01 -2.22 -1.51 -1.63 0.01 116.25 111.01 2rpa h VAL 27 Ca 0.00 -0.22 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2rpa h VAL 27 Cb 0.60 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 2rpa h VAL 27 CO -0.12 0.12 -0.00 1.88 -1.23 0.00 0.00 177.57 178.21 2rpa h TYR 28 N 0.64 -0.01 0.12 5.19 -1.99 -1.34 -2.98 116.97 116.60 2rpa h TYR 28 Ca 0.52 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.27 2rpa h TYR 28 Cb 0.96 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.66 2rpa h TYR 28 CO -0.00 0.54 -0.29 1.88 -0.00 0.00 0.00 178.16 180.28 2rpa h TYR 29 N -0.57 -0.79 -0.94 4.88 0.05 0.29 -0.92 116.97 118.97 2rpa h TYR 29 Ca -0.00 0.02 0.24 0.00 0.05 0.00 0.00 58.73 59.04 2rpa h TYR 29 Cb 0.55 0.33 -0.06 0.00 1.01 0.00 0.00 36.73 38.57 2rpa h TYR 29 CO 0.12 -0.40 0.64 0.37 -1.05 0.00 0.00 178.16 177.84 2rpa h GLN 30 N -0.51 0.23 -0.17 4.88 5.75 -1.12 0.41 115.11 124.58 2rpa h GLN 30 Ca 0.03 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.32 2rpa h GLN 30 Cb 0.54 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.04 2rpa h GLN 30 CO -0.17 0.16 -0.65 0.78 -2.65 0.00 0.00 178.83 176.29 2rpa h GLY 31 N 0.24 0.82 1.04 2.39 0.00 -1.05 -2.59 103.07 103.92 2rpa h GLY 31 Ca 0.48 -1.10 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 2rpa h GLY 31 CO -0.13 0.98 0.13 -2.08 0.00 0.00 0.00 176.54 175.44 2rpa h VAL 32 N 0.46 1.26 -0.35 4.60 2.07 0.14 -1.40 116.25 123.03 2rpa h VAL 32 Ca -0.03 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 2rpa h VAL 32 Cb 1.27 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2rpa h VAL 32 CO 0.14 0.36 -0.14 -0.07 0.02 0.00 0.00 177.57 177.88 2rpa h LEU 33 N 0.94 0.61 -0.28 2.57 -0.00 -1.29 0.18 115.31 118.04 2rpa h LEU 33 Ca 0.20 -0.17 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 2rpa h LEU 33 Cb 0.39 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2rpa h LEU 33 CO 0.01 0.77 -0.28 0.44 -0.00 0.00 0.00 178.44 179.38 2rpa h ASP 34 N 0.56 0.74 0.53 -0.43 5.19 -1.19 -2.80 116.42 119.02 2rpa h ASP 34 Ca 0.10 -0.47 -0.17 0.00 -0.62 0.00 0.00 57.03 55.87 2rpa h ASP 34 Cb 0.56 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2rpa h ASP 34 CO 0.04 1.05 -0.73 1.56 -3.12 0.00 0.00 179.24 178.04 2rpa h GLN 35 N 0.43 0.16 -0.26 3.56 1.08 -1.11 -3.24 115.11 115.73 2rpa h GLN 35 Ca 0.05 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2rpa h GLN 35 Cb 0.85 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2rpa h GLN 35 CO 0.07 0.82 0.16 0.52 -0.95 0.00 0.00 178.83 179.45 2rpa h MET 36 N 0.11 0.35 -0.46 1.46 2.86 -0.60 -2.84 114.93 115.81 2rpa h MET 36 Ca -0.02 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2rpa h MET 36 Cb 1.29 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 2rpa h MET 36 CO 0.11 0.28 0.10 -0.91 1.06 0.00 0.00 176.91 177.54 2rpa h ASN 37 N 0.32 0.02 -0.95 1.22 2.35 -1.52 -0.68 115.58 116.33 2rpa h ASN 37 Ca 0.09 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.11 2rpa h ASN 37 Cb 0.02 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.41 2rpa h ASN 37 CO -0.02 0.04 0.61 0.11 -1.65 0.00 0.00 177.43 176.52 2rpa h LYS 38 N 0.23 0.59 0.12 0.81 1.57 -1.54 0.45 116.57 118.81 2rpa h LYS 38 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2rpa h LYS 38 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2rpa h LYS 38 CO -0.29 0.39 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.00 2rpa h TYR 39 N 0.61 -0.15 -0.48 -1.35 5.03 -0.99 -2.45 116.97 117.20 2rpa h TYR 39 Ca 0.52 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.88 2rpa h TYR 39 Cb 0.99 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.30 2rpa h TYR 39 CO -0.00 0.25 0.32 -0.07 -1.32 0.00 0.00 178.16 177.33 2rpa h LEU 40 N -0.58 0.36 -0.72 2.82 3.38 -0.65 0.12 115.31 120.03 2rpa h LEU 40 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2rpa h LEU 40 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rpa h LEU 40 CO 0.03 0.23 0.00 0.22 0.09 0.00 0.00 178.44 179.01 2rpa h TYR 41 N 0.41 0.00 -0.06 1.13 5.03 -0.87 -2.74 116.97 119.87 2rpa h TYR 41 Ca 0.21 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2rpa h TYR 41 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.58 2rpa h TYR 41 CO -0.00 0.00 0.00 0.43 -1.32 0.00 0.00 178.16 177.27 2rpa n SER 42 N -2.95 2.07 -4.77 -2.11 7.64 0.37 -4.92 113.62 108.94 2rpa n SER 42 Ca 0.02 -1.70 -0.39 0.00 1.01 0.00 0.00 58.87 57.82 2rpa n SER 42 Cb 0.39 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 2rpa n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2rpa s VAL 43 N -1.95 3.61 -0.15 0.44 1.01 -0.99 -4.97 120.40 117.41 2rpa s VAL 43 Ca 0.35 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2rpa s VAL 43 Cb 0.20 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 2rpa s VAL 43 CO 0.32 0.24 0.23 0.29 0.00 0.00 0.00 175.10 176.18 2rpa n LYS 44 N 0.75 0.68 -3.23 2.72 4.01 -1.26 -4.85 118.16 116.99 2rpa n LYS 44 Ca 0.01 0.18 -0.40 0.00 -0.51 0.00 0.00 58.31 57.58 2rpa n LYS 44 Cb 0.47 -1.64 -0.08 0.00 -0.51 0.00 0.00 35.03 33.27 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2rpa s ASP 45 N -6.28 6.41 0.19 4.39 1.11 -1.26 -4.96 116.67 116.27 2rpa s ASP 45 Ca -0.18 0.39 -0.12 0.00 0.18 0.00 0.00 52.55 52.83 2rpa s ASP 45 Cb 0.07 -2.28 0.22 0.00 1.07 0.00 0.00 42.92 42.00 2rpa s ASP 45 CO 0.76 -0.35 1.72 0.71 1.18 0.00 0.00 175.17 179.19 2rpa h THR 46 N 5.46 0.72 -0.25 -1.27 1.35 -2.00 0.38 112.91 117.31 2rpa h THR 46 Ca -0.29 -0.09 0.03 0.00 -0.55 0.00 0.00 66.41 65.51 2rpa h THR 46 Cb 1.14 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2rpa h THR 46 CO 0.73 0.05 0.17 1.12 -0.25 0.00 0.00 175.52 177.34 2rpa h HIS 47 N 0.27 0.20 0.18 4.73 2.07 -1.98 0.30 115.15 120.91 2rpa h HIS 47 Ca 0.27 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.78 2rpa h HIS 47 Cb 0.36 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2rpa h HIS 47 CO -0.22 0.12 -0.09 1.25 -3.07 0.00 0.00 177.93 175.92 2rpa h LEU 48 N 0.20 -0.20 -0.68 6.12 7.12 -1.35 -2.93 115.31 123.59 2rpa h LEU 48 Ca 0.10 -0.25 -0.13 0.00 0.13 0.00 0.00 57.88 57.73 2rpa h LEU 48 Cb 0.16 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 2rpa h LEU 48 CO -0.02 0.16 -0.35 0.08 -0.13 0.00 0.00 178.44 178.18 2rpa h ARG 49 N -0.60 0.62 -1.01 1.25 0.11 -1.02 -3.02 114.38 110.71 2rpa h ARG 49 Ca -0.02 -0.30 0.15 0.00 0.10 0.00 0.00 59.98 59.91 2rpa h ARG 49 Cb 0.44 -0.01 -0.10 0.00 1.11 0.00 0.00 29.97 31.42 2rpa h ARG 49 CO 0.04 0.88 0.62 0.37 0.10 0.00 0.00 179.97 181.99 2rpa h GLN 50 N 0.52 0.86 0.11 0.08 5.75 -0.42 -1.41 115.11 120.60 2rpa h GLN 50 Ca 0.05 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2rpa h GLN 50 Cb 0.86 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2rpa h GLN 50 CO 0.07 0.57 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.55 2rpa h LYS 51 N 0.89 -0.14 -0.73 1.69 3.64 -1.38 -2.82 116.57 117.72 2rpa h LYS 51 Ca 0.54 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 60.06 2rpa h LYS 51 Cb 0.68 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 2rpa h LYS 51 CO -0.32 0.08 0.49 -1.49 -2.27 0.00 0.00 179.45 175.94 2rpa h TRP 52 N -0.35 0.50 -0.73 1.91 4.06 -1.36 -0.04 115.95 119.95 2rpa h TRP 52 Ca -0.01 0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.05 2rpa h TRP 52 Cb 0.29 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.24 2rpa h TRP 52 CO -0.01 0.20 0.48 0.37 -3.56 0.00 0.00 178.44 175.93 2rpa h GLN 53 N 0.44 0.59 -0.36 0.49 5.75 -1.02 0.28 115.11 121.29 2rpa h GLN 53 Ca 0.35 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.71 2rpa h GLN 53 Cb 0.76 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2rpa h GLN 53 CO -0.11 0.39 -0.21 0.37 -2.65 0.00 0.00 178.83 176.62 2rpa h GLN 54 N 0.61 0.77 -0.10 1.69 4.15 -1.01 -3.05 115.11 118.17 2rpa h GLN 54 Ca 0.34 -0.35 -0.17 0.00 0.77 0.00 0.00 58.65 59.24 2rpa h GLN 54 Cb 0.51 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2rpa h GLN 54 CO -0.12 0.97 -0.66 0.28 -1.93 0.00 0.00 178.83 177.38 2rpa h VAL 55 N 0.56 1.37 -0.91 2.39 2.07 -1.22 -3.14 116.25 117.37 2rpa h VAL 55 Ca 0.08 -2.02 0.09 0.00 0.82 0.00 0.00 66.70 65.66 2rpa h VAL 55 Cb 0.76 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 2rpa h VAL 55 CO 0.06 0.61 0.59 -0.25 0.02 0.00 0.00 177.57 178.59 2rpa h TRP 56 N 0.29 1.00 -0.72 1.57 7.01 -0.43 -1.07 115.95 123.60 2rpa h TRP 56 Ca -0.02 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 2rpa h TRP 56 Cb 1.20 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 2rpa h TRP 56 CO 0.04 0.48 0.22 1.96 -2.79 0.00 0.00 178.44 178.35 2rpa h GLN 57 N 0.94 1.11 -0.10 2.65 4.20 -1.48 -1.65 115.11 120.78 2rpa h GLN 57 Ca 0.41 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2rpa h GLN 57 Cb 0.34 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2rpa h GLN 57 CO -0.17 0.95 -0.01 0.93 -0.67 0.00 0.00 178.83 179.85 2rpa h GLU 58 N 1.07 0.19 -0.68 1.46 5.08 -1.29 0.24 114.58 120.64 2rpa h GLU 58 Ca 0.23 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2rpa h GLU 58 Cb 0.30 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2rpa h GLU 58 CO -0.01 0.46 0.45 0.82 -1.00 0.00 0.00 179.01 179.73 2rpa h ILE 59 N -0.10 1.14 -0.03 3.13 2.04 -1.18 0.87 117.51 123.37 2rpa h ILE 59 Ca 0.03 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2rpa h ILE 59 Cb 0.38 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2rpa h ILE 59 CO 0.01 0.16 -0.17 -1.13 0.00 0.00 0.00 178.15 177.02 2rpa h ASN 60 N 0.87 0.21 -0.45 1.72 -0.00 -1.17 -3.00 115.58 113.76 2rpa h ASN 60 Ca 0.26 -0.66 -0.01 0.00 -0.00 0.00 0.00 56.30 55.88 2rpa h ASN 60 Cb -0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 2rpa h ASN 60 CO -0.07 0.84 0.24 0.58 -0.00 0.00 0.00 177.43 179.02 2rpa h VAL 61 N -0.41 1.16 -0.13 2.57 2.07 -0.65 -2.71 116.25 118.15 2rpa h VAL 61 Ca -0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2rpa h VAL 61 Cb 0.83 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2rpa h VAL 61 CO 0.03 0.18 0.06 -0.08 0.02 0.00 0.00 177.57 177.79 2rpa h GLU 62 N 0.67 0.18 -0.66 1.57 4.57 -0.86 -2.44 114.58 117.61 2rpa h GLU 62 Ca 0.17 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.44 2rpa h GLU 62 Cb 0.06 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2rpa h GLU 62 CO -0.02 0.23 0.44 0.00 -1.18 0.00 0.00 179.01 178.48 2rpa h ALA 63 N 0.94 2.08 -0.43 2.92 0.00 -1.34 -0.82 119.26 122.62 2rpa h ALA 63 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2rpa h ALA 63 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rpa h ALA 63 CO -0.01 -0.24 -0.30 -0.22 0.00 0.00 0.00 179.25 178.48 2rpa h LYS 64 N 0.39 0.95 -0.77 0.00 1.63 -1.28 -3.10 116.57 114.39 2rpa h LYS 64 Ca 0.31 -0.45 0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2rpa h LYS 64 Cb 0.69 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.24 2rpa h LYS 64 CO -0.09 1.12 0.45 1.96 -3.45 0.00 0.00 179.45 179.43 2rpa h GLN 65 N 0.80 0.77 -0.84 1.90 4.20 -0.70 -1.07 115.11 120.17 2rpa h GLN 65 Ca 0.08 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.92 2rpa h GLN 65 Cb 0.89 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 2rpa h GLN 65 CO 0.08 0.51 0.55 0.28 -0.67 0.00 0.00 178.83 179.58 2rpa h VAL 66 N 0.79 0.76 -0.54 -0.54 2.07 -1.43 0.12 116.25 117.47 2rpa h VAL 66 Ca 0.35 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.81 2rpa h VAL 66 Cb 0.25 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2rpa h VAL 66 CO -0.21 0.09 0.37 0.50 0.02 0.00 0.00 177.57 178.33 2rpa h LYS 67 N 0.47 0.34 0.00 1.57 1.63 -1.26 0.63 116.57 119.96 2rpa h LYS 67 Ca 0.42 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.20 2rpa h LYS 67 Cb 0.94 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2rpa h LYS 67 CO -0.16 0.22 -0.00 0.22 -3.45 0.00 0.00 179.45 176.28 2rpa h ASP 68 N 0.35 -0.00 -0.07 4.20 1.82 -0.85 -2.09 116.42 119.77 2rpa h ASP 68 Ca 0.25 -0.56 0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2rpa h ASP 68 Cb 0.52 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2rpa h ASP 68 CO -0.06 0.77 0.18 0.16 -1.61 0.00 0.00 179.24 178.68 2rpa h ILE 69 N -1.00 0.18 0.00 2.25 3.07 -1.20 0.22 117.51 121.03 2rpa h ILE 69 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2rpa h ILE 69 Cb 0.56 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2rpa h ILE 69 CO 0.00 0.00 -1.43 1.15 -1.05 0.00 0.00 178.15 176.82 2rpa n MET 70 N -3.30 0.58 -1.97 0.16 0.00 0.19 -4.95 117.12 107.83 2rpa n MET 70 Ca -0.01 -0.03 -0.38 0.00 0.00 0.00 0.00 57.70 57.28 2rpa n MET 70 Cb 0.27 -1.66 0.02 0.00 0.00 0.00 0.00 33.22 31.85 2rpa n MET 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2rpa s LYS 71 N -3.40 3.31 0.00 3.17 2.47 0.76 -5.07 119.74 120.98 2rpa s LYS 71 Ca -0.03 2.03 0.16 0.00 -1.56 0.00 0.00 55.97 56.57 2rpa s LYS 71 Cb 0.12 -2.26 0.95 0.00 -1.46 0.00 0.00 37.83 35.19 2rpa s LYS 71 CO 0.84 -0.99 1.36 -2.37 0.16 0.00 0.00 175.35 174.35