#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa n ASP -4 N 0.00 -1.79 -4.46 6.43 8.00 -1.26 -4.91 116.55 118.55 2rpa n ASP -4 Ca 0.00 -1.14 -0.34 0.00 0.71 0.00 0.00 54.79 54.02 2rpa n ASP -4 Cb 0.00 -2.20 -0.12 0.00 -0.02 0.00 0.00 41.12 38.78 2rpa n ASP -4 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2rpa s HIS -3 N -3.52 3.03 -0.16 1.24 3.76 -1.26 -4.97 115.29 113.42 2rpa s HIS -3 Ca 0.58 -0.42 0.16 0.00 -0.15 0.00 0.00 55.06 55.22 2rpa s HIS -3 Cb -0.33 -2.04 0.30 0.00 1.11 0.00 0.00 32.58 31.62 2rpa s HIS -3 CO 0.97 -0.18 1.19 0.00 -0.85 0.00 0.00 174.74 175.87 2rpa n MET -2 N 4.03 1.93 0.11 1.40 0.00 -1.26 -4.59 117.12 118.75 2rpa n MET -2 Ca -0.17 -2.46 0.12 0.00 0.00 0.00 0.00 57.70 55.19 2rpa n MET -2 Cb 0.52 -1.49 0.23 0.00 0.00 0.00 0.00 33.22 32.47 2rpa n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2rpa h THR -1 N 0.47 0.00 -3.90 3.17 1.03 -1.98 -3.44 112.91 108.26 2rpa h THR -1 Ca 0.00 -0.65 -0.46 0.00 -0.01 0.00 0.00 66.41 65.29 2rpa h THR -1 Cb 1.01 1.44 0.11 0.00 -1.07 0.00 0.00 68.15 69.64 2rpa h THR -1 CO 0.05 0.00 0.33 -0.32 -0.01 0.00 0.00 175.52 175.56 2rpa s MET 1 N -3.18 1.57 0.79 0.00 0.00 -1.26 -5.02 119.30 112.21 2rpa s MET 1 Ca 0.07 -0.30 -0.16 0.00 0.00 0.00 0.00 55.69 55.30 2rpa s MET 1 Cb 0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 34.83 32.88 2rpa s MET 1 CO 0.68 -1.74 0.33 0.43 0.00 0.00 0.00 175.02 174.72 2rpa n SER 2 N -3.29 -2.03 0.24 1.11 7.64 -1.26 -4.81 113.62 111.22 2rpa n SER 2 Ca 0.11 0.50 0.16 0.00 1.01 0.00 0.00 58.87 60.64 2rpa n SER 2 Cb 0.60 -1.15 0.85 0.00 -1.01 0.00 0.00 64.21 63.50 2rpa n SER 2 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2rpa h LEU 3 N -0.68 0.00 -0.19 -3.43 7.12 -1.95 -2.41 115.31 113.77 2rpa h LEU 3 Ca -0.45 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.61 2rpa h LEU 3 Cb 1.34 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.41 2rpa h LEU 3 CO 0.39 0.00 -0.14 1.56 -0.13 0.00 0.00 178.44 180.11 2rpa h GLN 4 N 0.00 -0.14 0.00 1.25 1.08 -1.99 0.16 115.11 115.47 2rpa h GLN 4 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2rpa h GLN 4 Cb 0.28 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2rpa h GLN 4 CO -0.00 -0.10 0.42 0.52 -0.95 0.00 0.00 178.83 178.72 2rpa h MET 5 N -0.15 0.00 0.00 1.46 2.86 -1.76 0.18 114.93 117.52 2rpa h MET 5 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2rpa h MET 5 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2rpa h MET 5 CO -0.28 0.00 -0.43 -0.89 1.06 0.00 0.00 176.91 176.37 2rpa n ILE 6 N -2.51 0.86 -0.33 -1.22 2.08 0.43 -4.20 119.36 114.48 2rpa n ILE 6 Ca -0.01 0.31 0.15 0.00 0.56 0.00 0.00 62.75 63.76 2rpa n ILE 6 Cb 0.45 -2.02 0.38 0.00 -0.75 0.00 0.00 39.64 37.70 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 -0.60 0.68 -0.53 1.39 -1.51 -0.78 0.27 116.25 115.18 2rpa h VAL 7 Ca 0.00 -0.22 0.11 0.00 -1.23 0.00 0.00 66.70 65.36 2rpa h VAL 7 Cb 0.43 -0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.52 2rpa h VAL 7 CO 0.00 0.12 0.36 1.05 -1.23 0.00 0.00 177.57 177.87 2rpa h GLU 8 N 0.65 0.22 0.00 5.19 4.11 -0.88 0.12 114.58 123.98 2rpa h GLU 8 Ca 0.56 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.97 2rpa h GLU 8 Cb 1.03 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2rpa h GLU 8 CO -0.34 0.14 -0.06 -0.91 0.07 0.00 0.00 179.01 177.92 2rpa h ASN 9 N 0.22 0.00 0.52 3.06 -0.26 -0.62 -1.45 115.58 117.06 2rpa h ASN 9 Ca 0.25 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.85 2rpa h ASN 9 Cb 0.68 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.93 2rpa h ASN 9 CO -0.05 0.06 -0.62 0.58 -1.06 0.00 0.00 177.43 176.34 2rpa h VAL 10 N 0.00 1.43 -0.86 2.81 2.07 -0.83 -3.03 116.25 117.83 2rpa h VAL 10 Ca -0.00 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 2rpa h VAL 10 Cb 0.14 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2rpa h VAL 10 CO 0.01 0.61 0.50 0.11 0.02 0.00 0.00 177.57 178.81 2rpa h LYS 11 N 0.07 1.18 -0.18 1.57 1.79 -1.29 0.21 116.57 119.93 2rpa h LYS 11 Ca -0.01 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.19 2rpa h LYS 11 Cb 1.12 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2rpa h LYS 11 CO 0.09 0.85 -0.53 1.25 -1.08 0.00 0.00 179.45 180.03 2rpa h LEU 12 N 1.20 0.58 -0.07 2.94 7.12 -1.57 -2.89 115.31 122.61 2rpa h LEU 12 Ca 0.31 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 2rpa h LEU 12 Cb -0.01 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2rpa h LEU 12 CO -0.05 1.00 -0.06 0.00 -0.13 0.00 0.00 178.44 179.20 2rpa h ALA 13 N 1.02 0.10 -0.83 1.25 0.00 -1.32 -3.11 119.26 116.37 2rpa h ALA 13 Ca 0.01 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.77 2rpa h ALA 13 Cb 1.06 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2rpa h ALA 13 CO 0.10 -0.11 0.46 -0.09 0.00 0.00 0.00 179.25 179.61 2rpa h ARG 14 N -0.26 0.71 -0.72 0.00 2.43 -1.00 -0.07 114.38 115.47 2rpa h ARG 14 Ca 0.01 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2rpa h ARG 14 Cb 0.54 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2rpa h ARG 14 CO 0.01 0.47 0.48 1.49 -1.51 0.00 0.00 179.97 180.91 2rpa h GLU 15 N 0.73 0.76 -0.28 0.20 4.81 -1.49 -2.07 114.58 117.23 2rpa h GLU 15 Ca 0.42 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2rpa h GLU 15 Cb 0.47 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2rpa h GLU 15 CO -0.29 0.50 -0.13 1.88 -0.73 0.00 0.00 179.01 180.24 2rpa h TYR 16 N 0.78 0.68 -0.83 0.92 -1.99 -0.96 -1.68 116.97 113.89 2rpa h TYR 16 Ca 0.31 -0.17 0.08 0.00 2.00 0.00 0.00 58.73 60.95 2rpa h TYR 16 Cb 0.22 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.73 2rpa h TYR 16 CO -0.00 0.83 0.54 0.00 -0.00 0.00 0.00 178.16 179.53 2rpa h ALA 17 N 0.75 1.67 0.12 3.88 0.00 -0.57 0.40 119.26 125.50 2rpa h ALA 17 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rpa h ALA 17 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2rpa h ALA 17 CO 0.04 0.18 -0.06 -0.07 0.00 0.00 0.00 179.25 179.35 2rpa h LEU 18 N 0.84 -0.13 -1.76 0.00 3.38 -1.32 -3.23 115.31 113.09 2rpa h LEU 18 Ca 0.37 -0.43 0.28 0.00 0.09 0.00 0.00 57.88 58.19 2rpa h LEU 18 Cb 0.35 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2rpa h LEU 18 CO -0.14 0.46 0.70 -0.07 0.09 0.00 0.00 178.44 179.48 2rpa h LEU 19 N -0.84 0.18 0.00 1.67 4.07 -1.05 -3.44 115.31 115.90 2rpa h LEU 19 Ca -0.02 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2rpa h LEU 19 Cb 0.56 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2rpa h LEU 19 CO 0.03 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 2rpa n GLY 20 N -1.64 0.89 3.39 0.83 0.00 -0.61 -5.10 105.19 102.95 2rpa n GLY 20 Ca 0.22 0.00 -0.45 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 -0.32 6.19 -0.21 1.61 3.04 0.13 -4.87 114.94 120.51 2rpa s ASN 21 Ca 0.00 -1.32 0.06 0.00 0.04 0.00 0.00 52.86 51.64 2rpa s ASN 21 Cb 0.00 -2.25 -0.21 0.00 -1.54 0.00 0.00 41.25 37.25 2rpa s ASN 21 CO 0.00 -0.88 -0.02 -1.22 -3.04 0.00 0.00 177.10 171.94 2rpa n TYR 22 N 5.79 0.22 -0.13 0.43 4.02 -1.26 -1.44 117.16 124.79 2rpa n TYR 22 Ca -0.10 0.06 0.08 0.00 -0.01 0.00 0.00 57.90 57.92 2rpa n TYR 22 Cb 0.43 -1.03 0.40 0.00 -0.02 0.00 0.00 39.34 39.12 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 0.01 0.55 0.73 7.72 3.58 -1.91 -0.29 116.42 126.81 2rpa h ASP 23 Ca -0.53 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 2rpa h ASP 23 Cb 2.02 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.93 2rpa h ASP 23 CO -0.03 0.36 -0.53 0.28 -2.88 0.00 0.00 179.24 176.44 2rpa h SER 24 N 0.63 0.00 0.31 2.28 0.02 -1.97 -3.08 113.55 111.73 2rpa h SER 24 Ca 0.28 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.04 2rpa h SER 24 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2rpa h SER 24 CO -0.09 0.53 -0.74 0.00 -1.14 0.00 0.00 176.83 175.40 2rpa h ALA 25 N 1.47 0.61 -0.13 3.77 0.00 -1.23 -3.28 119.26 120.46 2rpa h ALA 25 Ca -0.01 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.33 2rpa h ALA 25 Cb 1.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2rpa h ALA 25 CO 0.07 0.78 -0.22 0.52 0.00 0.00 0.00 179.25 180.39 2rpa h MET 26 N 0.25 -0.27 -0.97 0.00 2.07 -1.27 0.20 114.93 114.93 2rpa h MET 26 Ca -0.03 0.02 0.16 0.00 -2.07 0.00 0.00 59.70 57.78 2rpa h MET 26 Cb 1.31 0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 31.01 2rpa h MET 26 CO 0.12 -0.18 0.58 -0.39 1.07 0.00 0.00 176.91 178.11 2rpa h VAL 27 N -0.28 0.77 0.11 -2.22 -1.51 -1.64 0.16 116.25 111.63 2rpa h VAL 27 Ca 0.10 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2rpa h VAL 27 Cb 0.43 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 2rpa h VAL 27 CO -0.29 0.14 -0.05 1.88 -1.23 0.00 0.00 177.57 178.02 2rpa h TYR 28 N 0.79 -0.14 -0.37 5.19 -1.99 -1.34 -2.61 116.97 116.51 2rpa h TYR 28 Ca 0.53 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.32 2rpa h TYR 28 Cb 0.74 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.46 2rpa h TYR 28 CO -0.02 0.30 0.05 1.88 -0.00 0.00 0.00 178.16 180.37 2rpa h TYR 29 N -0.64 0.07 -0.63 4.88 0.05 -0.03 0.55 116.97 121.23 2rpa h TYR 29 Ca -0.01 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2rpa h TYR 29 Cb 0.50 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 2rpa h TYR 29 CO 0.08 -0.01 0.42 0.37 -1.05 0.00 0.00 178.16 177.96 2rpa h GLN 30 N 0.16 0.62 -0.03 4.88 5.75 -0.76 -1.37 115.11 124.36 2rpa h GLN 30 Ca 0.18 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.59 2rpa h GLN 30 Cb 0.22 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2rpa h GLN 30 CO -0.26 0.41 -0.17 0.78 -2.65 0.00 0.00 178.83 176.94 2rpa h GLY 31 N 0.64 0.19 0.73 2.39 0.00 -0.79 -2.46 103.07 103.77 2rpa h GLY 31 Ca 0.27 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.36 2rpa h GLY 31 CO -0.08 0.25 0.13 -2.08 0.00 0.00 0.00 176.54 174.75 2rpa h VAL 32 N -0.41 0.91 -0.54 4.60 2.07 -0.60 0.11 116.25 122.39 2rpa h VAL 32 Ca -0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2rpa h VAL 32 Cb 0.84 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2rpa h VAL 32 CO 0.04 0.05 0.29 -0.07 0.02 0.00 0.00 177.57 177.89 2rpa h LEU 33 N 0.28 0.68 0.12 2.57 4.07 -1.35 0.36 115.31 122.03 2rpa h LEU 33 Ca 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 2rpa h LEU 33 Cb 0.12 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2rpa h LEU 33 CO -0.15 0.59 -0.06 0.44 -1.08 0.00 0.00 178.44 178.18 2rpa h ASP 34 N 0.72 -0.13 -0.69 -0.43 3.32 -0.99 -2.50 116.42 115.72 2rpa h ASP 34 Ca 0.19 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2rpa h ASP 34 Cb 0.06 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2rpa h ASP 34 CO -0.03 0.01 0.17 1.56 -1.72 0.00 0.00 179.24 179.23 2rpa h GLN 35 N -0.27 1.11 -0.35 3.56 4.20 -0.67 -3.02 115.11 119.67 2rpa h GLN 35 Ca -0.02 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.50 2rpa h GLN 35 Cb 0.22 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 2rpa h GLN 35 CO 0.03 0.98 -0.13 0.52 -0.67 0.00 0.00 178.83 179.55 2rpa h MET 36 N 1.04 -0.07 -0.27 1.46 2.86 -0.16 -1.95 114.93 117.85 2rpa h MET 36 Ca 0.22 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 2rpa h MET 36 Cb 0.37 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2rpa h MET 36 CO 0.00 -0.04 -0.08 -0.91 1.06 0.00 0.00 176.91 176.94 2rpa h ASN 37 N -0.07 -0.28 -0.85 1.22 2.35 -1.33 -0.27 115.58 116.36 2rpa h ASN 37 Ca 0.17 0.09 0.22 0.00 -0.55 0.00 0.00 56.30 56.23 2rpa h ASN 37 Cb 0.33 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 2rpa h ASN 37 CO -0.39 -0.10 0.59 0.11 -1.65 0.00 0.00 177.43 175.98 2rpa h LYS 38 N -0.01 0.20 0.12 0.81 1.57 -1.27 0.37 116.57 118.36 2rpa h LYS 38 Ca 0.13 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2rpa h LYS 38 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2rpa h LYS 38 CO -0.29 0.14 -0.06 -0.92 -0.57 0.00 0.00 179.45 177.75 2rpa h TYR 39 N 0.21 -0.15 -1.00 -1.35 5.03 -0.51 -3.04 116.97 116.16 2rpa h TYR 39 Ca 0.43 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.81 2rpa h TYR 39 Cb 1.34 0.05 -0.07 0.00 1.55 0.00 0.00 36.73 39.60 2rpa h TYR 39 CO -0.00 0.33 0.64 -0.07 -1.32 0.00 0.00 178.16 177.74 2rpa h LEU 40 N -0.79 1.01 -2.33 2.82 3.38 -0.49 0.81 115.31 119.72 2rpa h LEU 40 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2rpa h LEU 40 Cb 0.55 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2rpa h LEU 40 CO 0.03 0.63 -0.03 0.22 0.09 0.00 0.00 178.44 179.38 2rpa h TYR 41 N 1.13 0.00 -0.01 1.13 5.03 -1.02 -0.18 116.97 123.06 2rpa h TYR 41 Ca 0.44 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.75 2rpa h TYR 41 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2rpa h TYR 41 CO -0.00 0.03 -0.26 0.43 -1.32 0.00 0.00 178.16 177.04 2rpa n SER 42 N -3.26 1.10 -4.78 -2.11 7.64 0.25 -4.91 113.62 107.54 2rpa n SER 42 Ca -0.02 -0.95 -0.36 0.00 1.01 0.00 0.00 58.87 58.56 2rpa n SER 42 Cb 0.17 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 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 -2.48 3.59 -0.07 0.44 1.01 -0.08 -4.97 120.40 117.84 2rpa s VAL 43 Ca 0.25 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.48 2rpa s VAL 43 Cb 0.19 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.86 2rpa s VAL 43 CO 0.51 -0.07 0.13 0.29 0.00 0.00 0.00 175.10 175.97 2rpa n LYS 44 N -0.44 1.44 -3.30 2.72 4.76 -1.26 -4.91 118.16 117.18 2rpa n LYS 44 Ca 0.07 -0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 2rpa n LYS 44 Cb 0.50 -1.29 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 2rpa n LYS 44 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2rpa s ASP 45 N -3.98 6.20 0.45 4.39 2.15 -1.26 -4.93 116.67 119.68 2rpa s ASP 45 Ca -0.05 -0.70 0.25 0.00 0.43 0.00 0.00 52.55 52.48 2rpa s ASP 45 Cb 0.05 -2.23 1.28 0.00 -0.30 0.00 0.00 42.92 41.71 2rpa s ASP 45 CO 0.48 -0.62 1.77 0.71 -0.17 0.00 0.00 175.17 177.34 2rpa h THR 46 N 5.75 0.46 -0.10 1.71 1.35 -1.99 0.76 112.91 120.85 2rpa h THR 46 Ca -0.26 -0.08 -0.10 0.00 -0.55 0.00 0.00 66.41 65.41 2rpa h THR 46 Cb 1.11 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2rpa h THR 46 CO 0.82 0.04 -0.40 0.45 -0.25 0.00 0.00 175.52 176.18 2rpa h HIS 47 N 0.24 0.24 0.04 4.73 3.86 -1.97 0.35 115.15 122.65 2rpa h HIS 47 Ca 0.60 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.74 2rpa h HIS 47 Cb 1.82 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 30.24 2rpa h HIS 47 CO -0.00 0.59 -0.02 1.25 0.86 0.00 0.00 177.93 180.60 2rpa h LEU 48 N 0.18 -0.05 -0.62 2.43 5.85 0.11 -3.06 115.31 120.14 2rpa h LEU 48 Ca 0.02 -0.48 -0.14 0.00 0.84 0.00 0.00 57.88 58.12 2rpa h LEU 48 Cb 0.80 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2rpa h LEU 48 CO 0.06 0.47 -0.68 0.08 -0.34 0.00 0.00 178.44 178.03 2rpa h ARG 49 N -0.58 0.00 -0.67 1.25 0.11 -1.39 -3.13 114.38 109.97 2rpa h ARG 49 Ca -0.01 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.12 2rpa h ARG 49 Cb 0.52 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 2rpa h ARG 49 CO 0.01 0.68 0.44 1.96 0.10 0.00 0.00 179.97 183.16 2rpa h GLN 50 N 0.00 0.74 -0.01 0.08 1.08 -0.32 -0.45 115.11 116.23 2rpa h GLN 50 Ca -0.01 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2rpa h GLN 50 Cb 1.21 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2rpa h GLN 50 CO 0.09 0.49 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.22 2rpa h LYS 51 N 0.76 0.02 -0.52 1.46 1.63 -1.47 -3.17 116.57 115.28 2rpa h LYS 51 Ca 0.28 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.09 2rpa h LYS 51 Cb 0.15 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2rpa h LYS 51 CO -0.08 0.53 0.34 -1.49 -3.45 0.00 0.00 179.45 175.30 2rpa h TRP 52 N -0.49 0.59 -0.64 1.91 -0.00 -1.49 -1.45 115.95 114.39 2rpa h TRP 52 Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 2rpa h TRP 52 Cb 0.53 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.45 2rpa h TRP 52 CO 0.11 0.35 0.43 0.37 -0.00 0.00 0.00 178.44 179.70 2rpa h GLN 53 N 0.62 0.48 -0.22 0.49 5.75 -1.06 0.19 115.11 121.35 2rpa h GLN 53 Ca 0.20 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 2rpa h GLN 53 Cb 0.05 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2rpa h GLN 53 CO -0.05 0.32 -0.41 0.37 -2.65 0.00 0.00 178.83 176.41 2rpa h GLN 54 N 0.49 0.67 -0.36 1.69 5.75 -1.29 -3.19 115.11 118.88 2rpa h GLN 54 Ca 0.30 -0.42 -0.14 0.00 -0.15 0.00 0.00 58.65 58.23 2rpa h GLN 54 Cb 0.50 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2rpa h GLN 54 CO -0.09 1.04 -0.35 0.28 -2.65 0.00 0.00 178.83 177.06 2rpa h VAL 55 N 0.37 1.28 -0.86 2.39 2.07 -1.21 -3.00 116.25 117.29 2rpa h VAL 55 Ca 0.01 -1.52 0.17 0.00 0.82 0.00 0.00 66.70 66.18 2rpa h VAL 55 Cb 1.01 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 2rpa h VAL 55 CO 0.09 0.50 0.56 -0.25 0.02 0.00 0.00 177.57 178.50 2rpa h TRP 56 N 0.68 0.64 -0.34 1.57 7.01 -0.69 -0.43 115.95 124.39 2rpa h TRP 56 Ca 0.06 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.03 2rpa h TRP 56 Cb 0.91 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2rpa h TRP 56 CO 0.05 0.21 -0.01 1.96 -2.79 0.00 0.00 178.44 177.86 2rpa h GLN 57 N 0.52 0.62 -0.20 2.65 1.08 -1.51 0.81 115.11 119.08 2rpa h GLN 57 Ca 0.44 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 2rpa h GLN 57 Cb 0.92 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2rpa h GLN 57 CO -0.18 0.75 -0.17 0.93 -0.95 0.00 0.00 178.83 179.20 2rpa h GLU 58 N 0.42 0.34 0.06 1.46 4.39 -1.16 0.21 114.58 120.30 2rpa h GLU 58 Ca 0.10 -0.10 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 2rpa h GLU 58 Cb 0.48 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2rpa h GLU 58 CO 0.02 0.51 -1.11 0.82 -1.16 0.00 0.00 179.01 178.09 2rpa h ILE 59 N 0.31 1.36 0.10 3.13 2.04 -0.99 -2.98 117.51 120.48 2rpa h ILE 59 Ca 0.06 -2.52 -0.00 0.00 1.00 0.00 0.00 64.86 63.39 2rpa h ILE 59 Cb 0.50 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2rpa h ILE 59 CO 0.03 0.76 -0.05 -1.13 0.00 0.00 0.00 178.15 177.76 2rpa h ASN 60 N 0.25 -0.11 -0.88 1.72 -1.24 -0.62 -2.82 115.58 111.88 2rpa h ASN 60 Ca -0.13 -0.42 0.15 0.00 0.71 0.00 0.00 56.30 56.60 2rpa h ASN 60 Cb 1.78 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 40.79 2rpa h ASN 60 CO 0.20 0.41 0.57 1.62 -1.29 0.00 0.00 177.43 178.94 2rpa h VAL 61 N -0.67 0.82 -0.06 2.57 3.04 -1.08 -1.72 116.25 119.15 2rpa h VAL 61 Ca -0.01 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2rpa h VAL 61 Cb 0.53 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2rpa h VAL 61 CO 0.02 0.12 0.02 -0.08 -1.01 0.00 0.00 177.57 176.64 2rpa h GLU 62 N 0.66 0.10 -0.80 4.17 4.57 -1.51 -2.63 114.58 119.13 2rpa h GLU 62 Ca 0.44 -0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.82 2rpa h GLU 62 Cb 0.75 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2rpa h GLU 62 CO -0.20 0.28 0.57 0.00 -1.18 0.00 0.00 179.01 178.47 2rpa h ALA 63 N 0.82 2.61 0.00 2.92 0.00 -1.05 0.48 119.26 125.04 2rpa h ALA 63 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2rpa h ALA 63 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2rpa h ALA 63 CO -0.00 -0.84 -0.53 -0.22 0.00 0.00 0.00 179.25 177.65 2rpa h LYS 64 N 0.10 0.00 -0.05 0.00 3.11 -1.21 -2.81 116.57 115.72 2rpa h LYS 64 Ca 0.39 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 58.04 2rpa h LYS 64 Cb 1.40 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.65 2rpa h LYS 64 CO -0.04 0.53 -0.72 1.96 -2.81 0.00 0.00 179.45 178.37 2rpa h GLN 65 N 0.00 0.57 -0.65 1.90 4.20 0.14 -2.74 115.11 118.53 2rpa h GLN 65 Ca -0.01 -0.55 -0.07 0.00 0.06 0.00 0.00 58.65 58.09 2rpa h GLN 65 Cb 1.12 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 2rpa h GLN 65 CO 0.07 1.17 0.13 0.28 -0.67 0.00 0.00 178.83 179.82 2rpa h VAL 66 N 0.17 1.25 -0.14 -0.54 2.07 -1.38 0.49 116.25 118.17 2rpa h VAL 66 Ca -0.08 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2rpa h VAL 66 Cb 1.39 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2rpa h VAL 66 CO 0.14 0.36 -0.33 0.07 0.02 0.00 0.00 177.57 177.84 2rpa h LYS 67 N 0.98 0.28 0.09 1.57 2.10 -1.55 -2.29 116.57 117.75 2rpa h LYS 67 Ca 0.20 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2rpa h LYS 67 Cb 0.38 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2rpa h LYS 67 CO 0.01 0.58 -0.04 0.22 -2.00 0.00 0.00 179.45 178.21 2rpa h ASP 68 N 0.25 -0.10 -1.00 7.07 3.58 -1.15 -3.31 116.42 121.75 2rpa h ASP 68 Ca 0.03 -0.36 0.21 0.00 0.42 0.00 0.00 57.03 57.34 2rpa h ASP 68 Cb 0.70 0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.67 2rpa h ASP 68 CO 0.05 0.53 0.61 0.16 -2.88 0.00 0.00 179.24 177.72 2rpa h ILE 69 N -0.97 0.64 -4.06 2.25 3.07 -0.95 -3.41 117.51 114.07 2rpa h ILE 69 Ca -0.01 -0.22 -0.52 0.00 1.55 0.00 0.00 64.86 65.65 2rpa h ILE 69 Cb 0.45 -0.08 0.10 0.00 -0.27 0.00 0.00 36.82 37.03 2rpa h ILE 69 CO 0.02 0.12 0.50 0.00 -1.05 0.00 0.00 178.15 177.74 2rpa s MET 70 N -5.77 3.24 -0.08 0.16 0.23 -0.86 -5.02 119.30 111.19 2rpa s MET 70 Ca -0.11 1.87 -0.06 0.00 -1.03 0.00 0.00 55.69 56.36 2rpa s MET 70 Cb 0.26 -2.12 -0.04 0.00 -1.53 0.00 0.00 34.83 31.40 2rpa s MET 70 CO 0.80 -1.00 0.16 0.21 -2.03 0.00 0.00 175.02 173.16 2rpa s LYS 71 N -3.09 3.45 0.00 3.16 2.47 -1.26 -4.95 119.74 119.52 2rpa s LYS 71 Ca 0.72 -0.17 0.26 0.00 -1.56 0.00 0.00 55.97 55.23 2rpa s LYS 71 Cb -0.31 -3.16 0.70 0.00 -1.46 0.00 0.00 37.83 33.60 2rpa s LYS 71 CO 0.35 0.74 1.55 -2.37 0.16 0.00 0.00 175.35 175.79