#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 5.20 -0.07 -3.46 1.47 -1.26 -5.04 116.67 113.51 2rpa s ASP -4 Ca 0.00 -0.03 -0.16 0.00 1.18 0.00 0.00 52.55 53.54 2rpa s ASP -4 Cb 0.00 -0.82 -0.29 0.00 -0.34 0.00 0.00 42.92 41.47 2rpa s ASP -4 CO 0.00 -1.20 0.68 -0.74 0.68 0.00 0.00 175.17 174.58 2rpa h HIS -3 N 0.01 0.56 -4.28 2.11 -0.00 -2.15 -3.49 115.15 107.91 2rpa h HIS -3 Ca -0.42 -0.41 -0.22 0.00 -0.00 0.00 0.00 60.37 59.33 2rpa h HIS -3 Cb 1.30 -0.02 0.10 0.00 -0.00 0.00 0.00 27.41 28.79 2rpa h HIS -3 CO 0.34 1.53 -0.48 -0.12 -0.00 0.00 0.00 177.93 179.20 2rpa n MET -2 N -3.89 -4.41 -4.13 5.26 1.56 -1.26 -5.04 117.12 105.21 2rpa n MET -2 Ca -0.22 0.54 -0.17 0.00 -0.27 0.00 0.00 57.70 57.57 2rpa n MET -2 Cb 0.93 -4.66 -0.15 0.00 2.15 0.00 0.00 33.22 31.49 2rpa n MET -2 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2rpa s THR -1 N -3.22 0.42 -0.13 1.12 -1.32 -1.26 -5.15 115.64 106.10 2rpa s THR -1 Ca 0.08 -0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.16 2rpa s THR -1 Cb -0.03 -0.42 0.06 0.00 -1.51 0.00 0.00 72.50 70.60 2rpa s THR -1 CO 0.47 0.16 0.63 0.00 -2.21 0.00 0.00 174.62 173.67 2rpa s MET 1 N 0.43 0.89 0.12 7.08 0.23 -1.26 -5.08 119.30 121.71 2rpa s MET 1 Ca -0.05 0.49 0.00 0.00 -1.03 0.00 0.00 55.69 55.10 2rpa s MET 1 Cb -0.09 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 2rpa s MET 1 CO -0.00 -0.21 0.00 0.45 -2.03 0.00 0.00 175.02 173.22 2rpa n SER 2 N 1.73 0.15 0.00 -1.18 2.88 -1.26 -4.77 113.62 111.16 2rpa n SER 2 Ca -0.17 0.19 0.02 0.00 -1.33 0.00 0.00 58.87 57.58 2rpa n SER 2 Cb 0.56 0.08 0.08 0.00 -0.75 0.00 0.00 64.21 64.18 2rpa n SER 2 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2rpa n LEU 3 N -3.10 0.00 -0.02 2.46 -0.00 -1.26 -2.45 117.00 112.62 2rpa n LEU 3 Ca 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 56.01 56.28 2rpa n LEU 3 Cb 0.09 -0.38 -0.06 0.00 -0.00 0.00 0.00 43.42 43.06 2rpa n LEU 3 CO 0.00 -0.34 0.84 -0.61 -0.00 0.00 0.00 177.39 177.28 2rpa h GLN 4 N 0.00 0.16 0.00 1.96 5.75 -1.99 -1.81 115.11 119.18 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 0.05 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2rpa h GLN 4 CO 0.00 0.25 0.23 0.00 -2.65 0.00 0.00 178.83 176.66 2rpa h MET 5 N 0.03 0.00 0.00 1.69 -0.00 -1.84 0.47 114.93 115.29 2rpa h MET 5 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 2rpa h MET 5 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 2rpa h MET 5 CO -0.00 0.00 -0.17 -0.89 -0.00 0.00 0.00 176.91 175.84 2rpa n ILE 6 N -2.25 0.47 -0.00 -0.10 -0.00 -0.73 -3.25 119.36 113.51 2rpa n ILE 6 Ca -0.01 0.41 0.06 0.00 -0.00 0.00 0.00 62.75 63.20 2rpa n ILE 6 Cb 0.26 -1.80 0.45 0.00 -0.00 0.00 0.00 39.64 38.56 2rpa n ILE 6 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 2rpa h VAL 7 N -0.33 1.05 -0.02 1.39 -1.51 -1.17 -1.23 116.25 114.43 2rpa h VAL 7 Ca 0.00 -0.17 -0.14 0.00 -1.23 0.00 0.00 66.70 65.16 2rpa h VAL 7 Cb 0.17 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 29.84 2rpa h VAL 7 CO 0.00 0.09 -0.63 1.05 -1.23 0.00 0.00 177.57 176.85 2rpa h GLU 8 N 0.49 0.06 0.00 5.19 -0.00 -0.27 -2.97 114.58 117.08 2rpa h GLU 8 Ca 0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 59.46 2rpa h GLU 8 Cb 0.07 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.82 2rpa h GLU 8 CO -0.04 0.68 -0.09 -0.91 -0.00 0.00 0.00 179.01 178.65 2rpa h ASN 9 N 0.05 0.00 -0.06 3.06 -0.26 -1.20 -2.71 115.58 114.45 2rpa h ASN 9 Ca -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2rpa h ASN 9 Cb 1.13 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.39 2rpa h ASN 9 CO 0.09 0.09 0.02 0.58 -1.06 0.00 0.00 177.43 177.15 2rpa h VAL 10 N 0.00 1.17 -1.02 2.81 2.07 -1.45 -2.66 116.25 117.18 2rpa h VAL 10 Ca -0.00 -0.52 0.27 0.00 0.82 0.00 0.00 66.70 67.27 2rpa h VAL 10 Cb 0.20 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 2rpa h VAL 10 CO 0.01 0.15 0.70 0.11 0.02 0.00 0.00 177.57 178.55 2rpa h LYS 11 N -0.09 0.20 -0.04 1.57 1.79 -1.60 0.25 116.57 118.65 2rpa h LYS 11 Ca 0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2rpa h LYS 11 Cb 0.22 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2rpa h LYS 11 CO -0.00 0.13 -0.07 1.25 -1.08 0.00 0.00 179.45 179.68 2rpa h LEU 12 N 0.21 0.13 -0.77 2.94 7.12 -1.53 -3.08 115.31 120.33 2rpa h LEU 12 Ca 0.53 -0.55 0.04 0.00 0.13 0.00 0.00 57.88 58.02 2rpa h LEU 12 Cb 1.68 -0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.73 2rpa h LEU 12 CO -0.14 0.66 0.48 0.00 -0.13 0.00 0.00 178.44 179.31 2rpa h ALA 13 N 0.48 1.02 -0.49 1.25 0.00 -0.74 -2.40 119.26 118.38 2rpa h ALA 13 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2rpa h ALA 13 Cb 0.63 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2rpa h ALA 13 CO 0.02 0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.65 2rpa h ARG 14 N 0.93 0.25 -0.97 0.00 2.47 -1.18 -0.23 114.38 115.64 2rpa h ARG 14 Ca 0.31 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 2rpa h ARG 14 Cb 0.05 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.26 2rpa h ARG 14 CO -0.13 0.17 0.64 1.49 0.56 0.00 0.00 179.97 182.71 2rpa h GLU 15 N 0.26 1.28 -0.55 0.04 4.81 -1.35 -2.07 114.58 117.00 2rpa h GLU 15 Ca 0.24 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2rpa h GLU 15 Cb 0.31 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2rpa h GLU 15 CO -0.30 0.85 0.13 1.88 -0.73 0.00 0.00 179.01 180.84 2rpa h TYR 16 N 1.32 0.94 -0.44 0.92 -1.99 -0.86 -0.80 116.97 116.05 2rpa h TYR 16 Ca 0.36 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 2rpa h TYR 16 Cb -0.15 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.29 2rpa h TYR 16 CO -0.00 0.81 0.19 0.00 -0.00 0.00 0.00 178.16 179.16 2rpa h ALA 17 N 1.02 1.50 0.09 3.88 0.00 -0.62 0.31 119.26 125.43 2rpa h ALA 17 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rpa h ALA 17 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2rpa h ALA 17 CO 0.00 0.39 -0.04 -0.07 0.00 0.00 0.00 179.25 179.53 2rpa h LEU 18 N 0.63 -0.10 -1.51 0.00 3.38 -1.06 -3.25 115.31 113.40 2rpa h LEU 18 Ca 0.15 -0.49 0.23 0.00 0.09 0.00 0.00 57.88 57.87 2rpa h LEU 18 Cb 0.11 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2rpa h LEU 18 CO -0.02 0.53 0.63 -0.07 0.09 0.00 0.00 178.44 179.61 2rpa h LEU 19 N -0.83 0.39 0.00 1.67 4.07 -1.06 -3.44 115.31 116.10 2rpa h LEU 19 Ca -0.01 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2rpa h LEU 19 Cb 0.59 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2rpa h LEU 19 CO 0.02 0.13 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 2rpa n GLY 20 N -1.52 0.95 3.44 0.83 0.00 -0.80 -5.08 105.19 103.00 2rpa n GLY 20 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.11 6.69 -0.11 1.61 3.04 0.10 -4.81 114.94 121.34 2rpa s ASN 21 Ca 0.00 -2.21 -0.21 0.00 0.04 0.00 0.00 52.86 50.48 2rpa s ASN 21 Cb 0.00 -2.38 -0.27 0.00 -1.54 0.00 0.00 41.25 37.06 2rpa s ASN 21 CO 0.00 -0.97 0.64 1.88 -3.04 0.00 0.00 177.10 175.60 2rpa h TYR 22 N 8.56 0.33 -0.99 0.43 -1.99 -1.82 -2.92 116.97 118.57 2rpa h TYR 22 Ca 0.16 -0.24 0.20 0.00 2.00 0.00 0.00 58.73 60.86 2rpa h TYR 22 Cb 1.01 -0.01 -0.10 0.00 2.00 0.00 0.00 36.73 39.63 2rpa h TYR 22 CO 1.14 1.38 0.62 0.22 -0.00 0.00 0.00 178.16 181.52 2rpa h ASP 23 N -0.55 0.65 0.38 3.88 1.82 -1.94 0.45 116.42 121.11 2rpa h ASP 23 Ca -0.21 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.46 2rpa h ASP 23 Cb 1.53 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.50 2rpa h ASP 23 CO 0.04 0.22 -0.25 -1.28 -1.61 0.00 0.00 179.24 176.35 2rpa h SER 24 N 0.63 0.00 -0.09 2.28 0.87 -1.96 -2.94 113.55 112.34 2rpa h SER 24 Ca 0.56 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.99 2rpa h SER 24 Cb 1.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2rpa h SER 24 CO -0.32 0.25 -0.44 0.00 -0.53 0.00 0.00 176.83 175.79 2rpa h ALA 25 N 1.75 0.17 -0.70 6.23 0.00 -0.21 -3.30 119.26 123.20 2rpa h ALA 25 Ca -0.00 -0.48 0.13 0.00 0.00 0.00 0.00 54.91 54.55 2rpa h ALA 25 Cb 0.51 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2rpa h ALA 25 CO 0.03 0.31 -0.29 0.52 0.00 0.00 0.00 179.25 179.83 2rpa h MET 26 N 0.02 -0.08 -0.96 0.00 2.07 -1.21 0.43 114.93 115.20 2rpa h MET 26 Ca -0.03 0.01 0.17 0.00 -2.07 0.00 0.00 59.70 57.77 2rpa h MET 26 Cb 1.09 0.02 -0.10 0.00 -1.87 0.00 0.00 31.60 30.74 2rpa h MET 26 CO 0.09 -0.05 0.56 -0.39 1.07 0.00 0.00 176.91 178.19 2rpa h VAL 27 N -0.08 0.75 -0.01 -2.22 -1.51 -1.63 0.11 116.25 111.65 2rpa h VAL 27 Ca 0.29 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.50 2rpa h VAL 27 Cb 0.56 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 2rpa h VAL 27 CO -0.76 0.14 -0.01 1.88 -1.23 0.00 0.00 177.57 177.59 2rpa h TYR 28 N 0.76 0.03 0.12 5.19 -1.99 -0.41 -2.74 116.97 117.93 2rpa h TYR 28 Ca 0.53 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 61.27 2rpa h TYR 28 Cb 0.76 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.44 2rpa h TYR 28 CO -0.03 0.58 -0.29 1.88 -0.00 0.00 0.00 178.16 180.30 2rpa h TYR 29 N -0.53 -0.78 -0.95 4.88 0.05 0.14 -0.51 116.97 119.28 2rpa h TYR 29 Ca 0.00 0.02 0.15 0.00 0.05 0.00 0.00 58.73 58.95 2rpa h TYR 29 Cb 0.58 0.33 -0.10 0.00 1.01 0.00 0.00 36.73 38.55 2rpa h TYR 29 CO 0.12 -0.40 0.56 0.37 -1.05 0.00 0.00 178.16 177.76 2rpa h GLN 30 N -0.51 0.77 -0.48 4.88 -0.00 -0.91 -0.51 115.11 118.35 2rpa h GLN 30 Ca 0.03 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 2rpa h GLN 30 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 2rpa h GLN 30 CO -0.17 0.51 -0.07 0.78 0.00 0.00 0.00 178.83 179.89 2rpa h GLY 31 N 0.79 0.92 0.92 2.39 0.00 -1.04 -2.03 103.07 105.02 2rpa h GLY 31 Ca 0.51 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2rpa h GLY 31 CO -0.34 0.62 -0.07 -2.08 0.00 0.00 0.00 176.54 174.67 2rpa h VAL 32 N 0.77 0.90 -0.48 4.60 2.07 0.49 0.23 116.25 124.83 2rpa h VAL 32 Ca 0.14 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2rpa h VAL 32 Cb 0.56 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2rpa h VAL 32 CO 0.03 0.04 0.31 -0.07 0.02 0.00 0.00 177.57 177.90 2rpa h LEU 33 N -0.27 0.57 -0.08 2.57 -0.00 -1.37 0.45 115.31 117.17 2rpa h LEU 33 Ca -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2rpa h LEU 33 Cb 0.22 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2rpa h LEU 33 CO 0.03 0.43 0.03 0.44 -0.00 0.00 0.00 178.44 179.38 2rpa h ASP 34 N 0.65 0.11 -0.34 -0.43 5.19 -1.25 -2.75 116.42 117.60 2rpa h ASP 34 Ca 0.18 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 2rpa h ASP 34 Cb -0.04 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 2rpa h ASP 34 CO -0.04 0.25 -0.05 1.56 -3.12 0.00 0.00 179.24 177.84 2rpa h GLN 35 N -0.03 0.74 -0.17 3.56 1.08 -0.36 -3.06 115.11 116.88 2rpa h GLN 35 Ca 0.03 -0.21 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2rpa h GLN 35 Cb 0.17 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 2rpa h GLN 35 CO -0.00 0.79 -0.16 0.52 -0.95 0.00 0.00 178.83 179.02 2rpa h MET 36 N 0.69 -0.18 -0.41 1.46 2.86 0.08 -2.16 114.93 117.27 2rpa h MET 36 Ca 0.13 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2rpa h MET 36 Cb 0.49 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 2rpa h MET 36 CO 0.03 -0.12 0.07 -0.91 1.06 0.00 0.00 176.91 177.04 2rpa h ASN 37 N -0.19 -0.01 -0.97 1.22 2.35 -1.39 -1.03 115.58 115.56 2rpa h ASN 37 Ca 0.11 0.07 0.18 0.00 -0.55 0.00 0.00 56.30 56.11 2rpa h ASN 37 Cb 0.35 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 2rpa h ASN 37 CO -0.28 0.03 0.61 0.11 -1.65 0.00 0.00 177.43 176.26 2rpa h LYS 38 N 0.20 0.68 0.01 0.81 1.57 -1.33 0.22 116.57 118.73 2rpa h LYS 38 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2rpa h LYS 38 Cb 0.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2rpa h LYS 38 CO -0.27 0.45 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.13 2rpa h TYR 39 N 0.70 -0.02 -0.33 -1.35 5.03 -0.61 -2.81 116.97 117.58 2rpa h TYR 39 Ca 0.53 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.82 2rpa h TYR 39 Cb 0.91 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 2rpa h TYR 39 CO -0.00 0.33 0.09 -0.07 -1.32 0.00 0.00 178.16 177.19 2rpa h LEU 40 N -0.37 0.43 0.00 2.82 3.38 -0.61 -0.36 115.31 120.59 2rpa h LEU 40 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2rpa h LEU 40 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2rpa h LEU 40 CO 0.00 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.96 2rpa n TYR 41 N -4.36 0.00 0.11 1.13 4.19 0.66 -2.64 117.16 116.24 2rpa n TYR 41 Ca 0.02 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.29 2rpa n TYR 41 Cb 0.17 -0.02 -0.09 0.00 0.49 0.00 0.00 39.34 39.89 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 -1.02 1.87 -4.78 2.98 2.88 -0.18 -4.97 113.62 110.40 2rpa n SER 42 Ca 0.19 -0.16 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 2rpa n SER 42 Cb 0.10 1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 64.92 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 -2.69 5.16 -0.01 2.46 0.11 -0.99 -5.00 120.40 119.44 2rpa s VAL 43 Ca -0.03 0.08 0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2rpa s VAL 43 Cb 0.08 -3.27 -0.23 0.00 -1.53 0.00 0.00 36.38 31.44 2rpa s VAL 43 CO 0.50 0.56 0.78 0.11 -3.33 0.00 0.00 175.10 173.72 2rpa h LYS 44 N 5.58 0.01 -5.36 1.54 1.79 -1.93 -3.44 116.57 114.76 2rpa h LYS 44 Ca -0.49 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 57.89 2rpa h LYS 44 Cb 1.20 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2rpa h LYS 44 CO 0.62 0.62 0.25 -0.25 -1.08 0.00 0.00 179.45 179.62 2rpa n ASP 45 N -3.13 1.77 -0.27 0.86 8.00 -1.26 -4.75 116.55 117.78 2rpa n ASP 45 Ca -0.14 -1.36 0.33 0.00 0.71 0.00 0.00 54.79 54.33 2rpa n ASP 45 Cb 1.03 -1.62 0.74 0.00 -0.02 0.00 0.00 41.12 41.25 2rpa n ASP 45 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2rpa h THR 46 N 7.68 0.46 -0.57 -3.53 2.02 -1.98 0.38 112.91 117.37 2rpa h THR 46 Ca -0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 2rpa h THR 46 Cb 1.04 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2rpa h THR 46 CO 1.04 0.00 -0.08 -0.74 0.37 0.00 0.00 175.52 176.11 2rpa h HIS 47 N 0.00 1.17 0.05 3.16 6.17 -1.98 0.38 115.15 124.10 2rpa h HIS 47 Ca 0.51 -0.23 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 2rpa h HIS 47 Cb 2.06 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 31.69 2rpa h HIS 47 CO 0.00 1.06 -0.02 1.25 0.71 0.00 0.00 177.93 180.93 2rpa h LEU 48 N 0.94 -0.05 -0.87 0.26 6.46 -0.65 -2.89 115.31 118.51 2rpa h LEU 48 Ca 0.15 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.44 2rpa h LEU 48 Cb 0.65 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2rpa h LEU 48 CO 0.04 0.34 -0.35 0.08 -0.62 0.00 0.00 178.44 177.93 2rpa h ARG 49 N -0.45 0.41 -0.92 1.25 0.11 -1.43 -2.92 114.38 110.43 2rpa h ARG 49 Ca -0.01 -0.18 0.07 0.00 0.10 0.00 0.00 59.98 59.96 2rpa h ARG 49 Cb 0.41 -0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.42 2rpa h ARG 49 CO 0.01 0.71 0.59 0.37 0.10 0.00 0.00 179.97 181.76 2rpa h GLN 50 N 0.35 0.99 -0.11 0.08 4.15 -0.21 0.27 115.11 120.63 2rpa h GLN 50 Ca 0.04 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2rpa h GLN 50 Cb 0.78 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 2rpa h GLN 50 CO 0.06 0.66 -0.12 -0.22 -1.93 0.00 0.00 178.83 177.28 2rpa h LYS 51 N 1.02 0.27 -0.37 1.69 3.11 -1.32 -3.16 116.57 117.81 2rpa h LYS 51 Ca 0.40 -0.15 -0.05 0.00 -2.81 0.00 0.00 60.65 58.04 2rpa h LYS 51 Cb 0.23 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 2rpa h LYS 51 CO -0.16 0.69 -0.00 -1.49 -2.81 0.00 0.00 179.45 175.68 2rpa h TRP 52 N -0.14 0.60 -0.71 1.91 -0.00 -1.30 -2.48 115.95 113.84 2rpa h TRP 52 Ca 0.02 -0.07 0.10 0.00 -0.00 0.00 0.00 58.89 58.94 2rpa h TRP 52 Cb 0.65 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.59 2rpa h TRP 52 CO 0.09 0.59 0.47 0.37 -0.00 0.00 0.00 178.44 179.96 2rpa h GLN 53 N 0.55 0.54 -0.45 0.49 5.75 -0.46 -0.26 115.11 121.27 2rpa h GLN 53 Ca 0.12 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 2rpa h GLN 53 Cb 0.36 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2rpa h GLN 53 CO 0.01 0.36 -0.11 0.37 -2.65 0.00 0.00 178.83 176.81 2rpa h GLN 54 N 0.56 0.88 -0.21 1.69 5.75 -1.43 -3.02 115.11 119.33 2rpa h GLN 54 Ca 0.33 -0.33 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2rpa h GLN 54 Cb 0.54 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2rpa h GLN 54 CO -0.11 0.98 -0.40 0.28 -2.65 0.00 0.00 178.83 176.92 2rpa h VAL 55 N 0.71 1.30 -0.23 2.39 2.07 -1.23 -2.86 116.25 118.40 2rpa h VAL 55 Ca 0.12 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.12 2rpa h VAL 55 Cb 0.65 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2rpa h VAL 55 CO 0.04 0.49 0.16 -0.25 0.02 0.00 0.00 177.57 178.03 2rpa h TRP 56 N 0.40 0.09 0.04 1.57 7.01 -0.97 0.19 115.95 124.28 2rpa h TRP 56 Ca 0.04 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2rpa h TRP 56 Cb 0.88 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 2rpa h TRP 56 CO 0.03 0.05 -0.02 1.96 -2.79 0.00 0.00 178.44 177.68 2rpa h GLN 57 N 0.10 -0.05 -0.48 2.65 4.20 -1.43 -0.84 115.11 119.25 2rpa h GLN 57 Ca 0.10 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2rpa h GLN 57 Cb 0.30 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2rpa h GLN 57 CO -0.01 0.54 0.00 1.05 -0.67 0.00 0.00 178.83 179.73 2rpa h GLU 58 N -0.67 0.79 -0.18 1.46 4.11 -1.42 -2.43 114.58 116.24 2rpa h GLU 58 Ca -0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 2rpa h GLU 58 Cb 0.60 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2rpa h GLU 58 CO 0.01 0.80 -0.16 0.82 0.07 0.00 0.00 179.01 180.55 2rpa h ILE 59 N 0.74 1.33 -0.74 -1.06 2.04 -0.70 -0.36 117.51 118.76 2rpa h ILE 59 Ca 0.14 -1.30 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2rpa h ILE 59 Cb 0.45 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 2rpa h ILE 59 CO 0.02 0.39 0.43 -1.13 0.00 0.00 0.00 178.15 177.86 2rpa h ASN 60 N 0.09 0.64 0.08 1.72 -1.24 -1.03 -2.07 115.58 113.78 2rpa h ASN 60 Ca 0.03 0.03 -0.20 0.00 0.71 0.00 0.00 56.30 56.87 2rpa h ASN 60 Cb 0.69 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2rpa h ASN 60 CO 0.04 0.40 -0.76 0.58 -1.29 0.00 0.00 177.43 176.41 2rpa h VAL 61 N 0.77 1.33 -0.48 2.57 2.07 -1.42 -3.25 116.25 117.84 2rpa h VAL 61 Ca 0.33 -2.07 0.09 0.00 0.82 0.00 0.00 66.70 65.87 2rpa h VAL 61 Cb 0.21 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 2rpa h VAL 61 CO -0.19 0.64 0.06 -0.08 0.02 0.00 0.00 177.57 178.02 2rpa h GLU 62 N 0.39 0.18 -0.89 1.57 4.57 -0.39 -0.67 114.58 119.34 2rpa h GLU 62 Ca -0.04 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2rpa h GLU 62 Cb 1.36 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 2rpa h GLU 62 CO 0.14 0.12 0.58 0.00 -1.18 0.00 0.00 179.01 178.67 2rpa h ALA 63 N 1.39 1.59 -0.48 2.92 0.00 -1.46 -0.81 119.26 122.41 2rpa h ALA 63 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2rpa h ALA 63 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2rpa h ALA 63 CO -0.35 0.24 0.27 -0.22 0.00 0.00 0.00 179.25 179.20 2rpa h LYS 64 N 0.93 0.65 -0.54 0.00 3.11 -1.18 -2.45 116.57 117.09 2rpa h LYS 64 Ca 0.40 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 58.19 2rpa h LYS 64 Cb 0.33 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 2rpa h LYS 64 CO -0.16 0.47 0.36 1.96 -2.81 0.00 0.00 179.45 179.27 2rpa h GLN 65 N 0.66 0.70 -0.79 1.90 1.08 -0.79 -2.09 115.11 115.78 2rpa h GLN 65 Ca 0.17 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.47 2rpa h GLN 65 Cb 0.00 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.22 2rpa h GLN 65 CO -0.03 0.46 0.52 0.28 -0.95 0.00 0.00 178.83 179.12 2rpa h VAL 66 N 0.72 0.82 -0.48 -0.54 2.07 -1.38 0.69 116.25 118.15 2rpa h VAL 66 Ca 0.20 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2rpa h VAL 66 Cb -0.07 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 2rpa h VAL 66 CO -0.05 0.09 0.33 0.50 0.02 0.00 0.00 177.57 178.46 2rpa h LYS 67 N 0.52 0.36 0.00 1.57 3.64 -1.36 0.16 116.57 121.46 2rpa h LYS 67 Ca 0.39 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2rpa h LYS 67 Cb 0.77 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2rpa h LYS 67 CO -0.14 0.24 -0.04 0.22 -2.27 0.00 0.00 179.45 177.46 2rpa h ASP 68 N 0.37 0.00 -0.16 4.20 3.58 -0.92 -3.31 116.42 120.18 2rpa h ASP 68 Ca 0.21 -0.64 0.05 0.00 0.42 0.00 0.00 57.03 57.08 2rpa h ASP 68 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2rpa h ASP 68 CO -0.05 0.84 0.16 0.16 -2.88 0.00 0.00 179.24 177.46 2rpa h ILE 69 N -1.00 0.58 -3.45 2.25 3.07 -1.20 -3.41 117.51 114.36 2rpa h ILE 69 Ca -0.01 0.00 -0.51 0.00 1.55 0.00 0.00 64.86 65.90 2rpa h ILE 69 Cb 0.66 0.88 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2rpa h ILE 69 CO -0.01 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.08 2rpa s MET 70 N -4.74 3.70 -0.24 0.16 0.23 0.54 -5.09 119.30 113.87 2rpa s MET 70 Ca -0.05 0.23 -0.26 0.00 -1.03 0.00 0.00 55.69 54.59 2rpa s MET 70 Cb 0.16 -2.52 0.07 0.00 -1.53 0.00 0.00 34.83 31.01 2rpa s MET 70 CO 0.58 0.09 0.71 0.21 -2.03 0.00 0.00 175.02 174.58 2rpa s LYS 71 N -3.71 0.86 0.00 3.16 2.47 -1.26 -4.88 119.74 116.39 2rpa s LYS 71 Ca 0.47 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 55.77 2rpa s LYS 71 Cb -0.10 0.42 0.00 0.00 -1.46 0.00 0.00 37.83 36.68 2rpa s LYS 71 CO 0.31 -0.13 0.43 0.25 0.16 0.00 0.00 175.35 176.36