#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 0.39 -3.71 4.04 5.75 -1.26 -5.04 116.55 116.73 2rpa n ASP -4 Ca 0.00 0.53 -0.11 0.00 -0.01 0.00 0.00 54.79 55.20 2rpa n ASP -4 Cb 0.00 -1.45 -0.12 0.00 -1.03 0.00 0.00 41.12 38.53 2rpa n ASP -4 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2rpa s HIS -3 N -2.23 -0.49 -0.55 2.11 -3.43 -1.26 -5.12 115.29 104.32 2rpa s HIS -3 Ca 0.70 1.09 -0.22 0.00 -0.80 0.00 0.00 55.06 55.83 2rpa s HIS -3 Cb -0.28 0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.10 2rpa s HIS -3 CO 0.54 -0.30 0.83 1.41 -2.00 0.00 0.00 174.74 175.23 2rpa s MET -2 N 1.34 3.23 -0.43 -0.38 1.75 -1.26 -4.98 119.30 118.57 2rpa s MET -2 Ca -0.09 -0.55 -0.43 0.00 -1.25 0.00 0.00 55.69 53.37 2rpa s MET -2 Cb -0.09 -4.09 -0.17 0.00 2.84 0.00 0.00 34.83 33.31 2rpa s MET -2 CO -0.11 -1.43 1.89 2.41 -0.65 0.00 0.00 175.02 177.13 2rpa n THR -1 N 5.96 0.10 -3.07 10.11 -1.04 -1.26 -4.86 114.28 120.22 2rpa n THR -1 Ca -0.02 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.69 2rpa n THR -1 Cb 0.46 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 68.10 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 6.01 2.74 -3.74 -2.82 0.00 -1.26 -5.05 117.12 113.00 2rpa n MET 1 Ca 0.39 -4.59 -0.10 0.00 0.00 0.00 0.00 57.70 53.40 2rpa n MET 1 Cb 0.03 -2.14 -0.06 0.00 0.00 0.00 0.00 33.22 31.05 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 -3.08 -0.09 -0.03 3.17 1.04 -1.26 -5.05 113.70 108.40 2rpa s SER 2 Ca 0.46 -0.49 0.18 0.00 0.48 0.00 0.00 55.95 56.58 2rpa s SER 2 Cb 0.26 0.43 -0.28 0.00 0.10 0.00 0.00 66.02 66.53 2rpa s SER 2 CO -0.11 -0.83 0.38 0.18 0.98 0.00 0.00 173.24 173.85 2rpa n LEU 3 N -0.17 0.00 0.26 2.42 4.77 -1.26 -4.49 117.00 118.53 2rpa n LEU 3 Ca -0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 2rpa n LEU 3 Cb 0.63 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2rpa n LEU 3 CO 0.20 0.02 0.43 -0.61 -1.33 0.00 0.00 177.39 176.09 2rpa h GLN 4 N 0.00 -0.66 0.00 3.23 5.75 -1.98 -0.75 115.11 120.69 2rpa h GLN 4 Ca -0.02 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2rpa h GLN 4 Cb 0.87 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2rpa h GLN 4 CO 0.00 -0.36 0.30 1.98 -2.65 0.00 0.00 178.83 178.10 2rpa h MET 5 N -1.04 0.00 0.00 1.69 4.05 -1.99 0.40 114.93 118.05 2rpa h MET 5 Ca -0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2rpa h MET 5 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2rpa h MET 5 CO 0.12 0.00 -0.25 -0.89 0.23 0.00 0.00 176.91 176.12 2rpa n ILE 6 N -2.20 0.60 0.06 1.77 2.08 -1.06 -3.94 119.36 116.66 2rpa n ILE 6 Ca -0.01 0.38 0.12 0.00 0.56 0.00 0.00 62.75 63.79 2rpa n ILE 6 Cb 0.33 -1.87 0.58 0.00 -0.75 0.00 0.00 39.64 37.93 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 -0.42 0.92 -0.69 1.39 -1.51 -0.77 -1.10 116.25 114.06 2rpa h VAL 7 Ca 0.00 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.38 2rpa h VAL 7 Cb 0.25 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 2rpa h VAL 7 CO 0.00 0.04 0.35 -0.33 -1.23 0.00 0.00 177.57 176.40 2rpa h GLU 8 N 0.20 0.97 -0.58 5.19 4.39 -0.42 -2.08 114.58 122.26 2rpa h GLU 8 Ca 0.17 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.83 2rpa h GLU 8 Cb 0.40 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2rpa h GLU 8 CO -0.03 0.74 0.39 -0.91 -1.16 0.00 0.00 179.01 178.04 2rpa h ASN 9 N 0.98 0.41 -0.59 1.42 2.35 -1.32 -1.72 115.58 117.10 2rpa h ASN 9 Ca 0.24 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.03 2rpa h ASN 9 Cb 0.07 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 2rpa h ASN 9 CO -0.03 0.25 0.36 0.58 -1.65 0.00 0.00 177.43 176.94 2rpa h VAL 10 N 0.46 1.06 -0.63 2.81 2.07 -1.43 -1.63 116.25 118.96 2rpa h VAL 10 Ca 0.26 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2rpa h VAL 10 Cb 0.44 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2rpa h VAL 10 CO -0.07 0.13 0.42 0.11 0.02 0.00 0.00 177.57 178.17 2rpa h LYS 11 N 0.71 0.51 -0.23 1.57 1.79 -1.37 0.26 116.57 119.81 2rpa h LYS 11 Ca 0.24 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.51 2rpa h LYS 11 Cb 0.03 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2rpa h LYS 11 CO -0.10 0.34 -0.53 1.25 -1.08 0.00 0.00 179.45 179.33 2rpa h LEU 12 N 0.53 0.73 -0.07 2.94 7.12 -1.29 -2.77 115.31 122.50 2rpa h LEU 12 Ca 0.28 -0.38 -0.25 0.00 0.13 0.00 0.00 57.88 57.66 2rpa h LEU 12 Cb 0.42 -0.21 0.02 0.00 -0.53 0.00 0.00 40.66 40.36 2rpa h LEU 12 CO -0.09 1.12 -0.95 0.00 -0.13 0.00 0.00 178.44 178.39 2rpa h ALA 13 N 0.90 0.22 -0.22 1.25 0.00 -0.64 -2.91 119.26 117.86 2rpa h ALA 13 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2rpa h ALA 13 Cb 1.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2rpa h ALA 13 CO 0.11 0.70 0.09 -0.09 0.00 0.00 0.00 179.25 180.05 2rpa h ARG 14 N 0.42 0.30 -0.08 0.00 2.43 -0.54 -2.04 114.38 114.87 2rpa h ARG 14 Ca -0.10 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 2rpa h ARG 14 Cb 1.59 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.09 2rpa h ARG 14 CO 0.19 0.25 -0.58 1.49 -1.51 0.00 0.00 179.97 179.81 2rpa h GLU 15 N 0.30 0.54 -0.91 0.20 4.81 -1.48 -3.25 114.58 114.78 2rpa h GLU 15 Ca 0.08 -0.47 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 2rpa h GLU 15 Cb 0.07 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2rpa h GLU 15 CO -0.01 1.10 0.60 1.88 -0.73 0.00 0.00 179.01 181.85 2rpa h TYR 16 N 0.13 1.13 -0.87 0.92 -1.99 -1.25 -1.75 116.97 113.30 2rpa h TYR 16 Ca -0.05 0.03 0.13 0.00 2.00 0.00 0.00 58.73 60.84 2rpa h TYR 16 Cb 1.24 -0.38 -0.07 0.00 2.00 0.00 0.00 36.73 39.52 2rpa h TYR 16 CO 0.12 0.68 0.56 0.00 -0.00 0.00 0.00 178.16 179.52 2rpa h ALA 17 N 1.36 1.81 0.06 3.88 0.00 -1.33 0.40 119.26 125.44 2rpa h ALA 17 Ca 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2rpa h ALA 17 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2rpa h ALA 17 CO -0.10 -0.03 -0.03 -0.07 0.00 0.00 0.00 179.25 179.02 2rpa h LEU 18 N 0.70 -0.07 -1.50 0.00 3.38 -1.39 -3.25 115.31 113.18 2rpa h LEU 18 Ca 0.43 -0.56 0.25 0.00 0.09 0.00 0.00 57.88 58.09 2rpa h LEU 18 Cb 0.64 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 2rpa h LEU 18 CO -0.19 0.59 0.67 -0.07 0.09 0.00 0.00 178.44 179.53 2rpa h LEU 19 N -0.80 0.37 0.00 1.67 3.38 -0.96 -3.44 115.31 115.52 2rpa h LEU 19 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2rpa h LEU 19 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2rpa h LEU 19 CO 0.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2rpa n GLY 20 N -1.53 0.95 3.40 0.83 0.00 -0.54 -5.07 105.19 103.22 2rpa n GLY 20 Ca 0.23 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 -0.43 6.95 0.00 1.61 3.04 0.02 -4.80 114.94 121.33 2rpa s ASN 21 Ca 0.00 -2.83 -0.15 0.00 0.04 0.00 0.00 52.86 49.92 2rpa s ASN 21 Cb 0.00 -2.32 -0.34 0.00 -1.54 0.00 0.00 41.25 37.05 2rpa s ASN 21 CO 0.00 -0.68 0.91 1.88 -3.04 0.00 0.00 177.10 176.17 2rpa h TYR 22 N 7.61 0.89 -1.00 0.43 -1.99 -1.81 -3.14 116.97 117.96 2rpa h TYR 22 Ca 0.20 -0.65 0.19 0.00 2.00 0.00 0.00 58.73 60.47 2rpa h TYR 22 Cb 0.95 -0.04 -0.10 0.00 2.00 0.00 0.00 36.73 39.54 2rpa h TYR 22 CO 1.02 1.57 0.61 0.22 -0.00 0.00 0.00 178.16 181.59 2rpa h ASP 23 N 0.09 0.75 0.51 3.88 3.58 -1.95 0.37 116.42 123.65 2rpa h ASP 23 Ca -0.27 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.19 2rpa h ASP 23 Cb 2.11 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 43.11 2rpa h ASP 23 CO 0.24 0.27 -0.39 0.28 -2.88 0.00 0.00 179.24 176.76 2rpa h SER 24 N 0.73 0.00 0.34 2.28 0.02 -1.97 -2.86 113.55 112.09 2rpa h SER 24 Ca 0.57 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.33 2rpa h SER 24 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2rpa h SER 24 CO -0.36 0.39 -0.77 0.00 -1.14 0.00 0.00 176.83 174.95 2rpa h ALA 25 N 1.61 0.58 0.70 3.77 0.00 -0.37 -3.05 119.26 122.50 2rpa h ALA 25 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 2rpa h ALA 25 Cb 0.74 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2rpa h ALA 25 CO 0.05 0.79 -0.34 0.52 0.00 0.00 0.00 179.25 180.27 2rpa h MET 26 N 0.23 -0.91 -0.80 0.00 2.07 -1.04 0.20 114.93 114.69 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 1.35 0.21 -0.06 0.00 -1.87 0.00 0.00 31.60 31.23 2rpa h MET 26 CO 0.13 -0.60 0.52 -0.39 1.07 0.00 0.00 176.91 177.64 2rpa h VAL 27 N -0.95 0.86 0.15 -2.22 -1.51 -1.63 -0.09 116.25 110.86 2rpa h VAL 27 Ca -0.10 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 2rpa h VAL 27 Cb 0.72 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2rpa h VAL 27 CO 0.16 0.11 -0.07 1.88 -1.23 0.00 0.00 177.57 178.41 2rpa h TYR 28 N 0.60 -0.19 -0.53 5.19 -1.99 -1.37 -2.77 116.97 115.92 2rpa h TYR 28 Ca 0.39 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.18 2rpa h TYR 28 Cb 0.66 0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.39 2rpa h TYR 28 CO -0.00 0.25 0.19 1.88 -0.00 0.00 0.00 178.16 180.48 2rpa h TYR 29 N -0.74 0.33 -0.53 4.88 0.05 -0.12 -0.41 116.97 120.42 2rpa h TYR 29 Ca -0.02 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2rpa h TYR 29 Cb 0.52 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 2rpa h TYR 29 CO 0.08 0.10 0.35 0.37 -1.05 0.00 0.00 178.16 178.01 2rpa h GLN 30 N 0.37 0.52 -0.18 4.88 5.75 -1.09 -1.95 115.11 123.41 2rpa h GLN 30 Ca 0.26 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.56 2rpa h GLN 30 Cb 0.28 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.72 2rpa h GLN 30 CO -0.26 0.34 -0.54 0.78 -2.65 0.00 0.00 178.83 176.50 2rpa h GLY 31 N 0.53 0.76 1.01 2.39 0.00 -0.81 -2.63 103.07 104.31 2rpa h GLY 31 Ca 0.22 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2rpa h GLY 31 CO -0.06 0.87 0.40 -2.08 0.00 0.00 0.00 176.54 175.67 2rpa h VAL 32 N 0.39 1.22 -0.52 4.60 2.07 -0.67 -0.83 116.25 122.52 2rpa h VAL 32 Ca -0.02 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2rpa h VAL 32 Cb 1.16 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2rpa h VAL 32 CO 0.12 0.24 0.09 -0.07 0.02 0.00 0.00 177.57 177.97 2rpa h LEU 33 N 1.00 0.81 -0.18 2.57 3.38 -1.41 0.22 115.31 121.70 2rpa h LEU 33 Ca 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2rpa h LEU 33 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2rpa h LEU 33 CO -0.04 0.86 0.07 0.44 0.09 0.00 0.00 178.44 179.86 2rpa h ASP 34 N 0.73 0.26 0.15 -0.43 3.32 -1.17 -1.28 116.42 118.00 2rpa h ASP 34 Ca 0.16 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2rpa h ASP 34 Cb 0.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2rpa h ASP 34 CO 0.01 0.35 -0.41 1.56 -1.72 0.00 0.00 179.24 179.03 2rpa h GLN 35 N 0.15 0.33 0.05 3.56 1.08 -1.07 -2.95 115.11 116.25 2rpa h GLN 35 Ca 0.06 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2rpa h GLN 35 Cb 0.17 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2rpa h GLN 35 CO -0.01 0.69 -0.02 0.52 -0.95 0.00 0.00 178.83 179.06 2rpa h MET 36 N 0.28 -0.06 -0.39 1.46 2.86 -0.34 -2.89 114.93 115.84 2rpa h MET 36 Ca 0.03 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2rpa h MET 36 Cb 0.84 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.46 2rpa h MET 36 CO 0.07 0.16 0.03 -0.91 1.06 0.00 0.00 176.91 177.32 2rpa h ASN 37 N -0.27 -0.09 -0.94 1.22 2.35 -1.21 -0.70 115.58 115.93 2rpa h ASN 37 Ca -0.01 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.02 2rpa h ASN 37 Cb 0.25 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.67 2rpa h ASN 37 CO 0.01 -0.01 0.60 0.11 -1.65 0.00 0.00 177.43 176.50 2rpa h LYS 38 N 0.15 0.54 0.13 0.81 1.57 -1.46 0.30 116.57 118.60 2rpa h LYS 38 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2rpa h LYS 38 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2rpa h LYS 38 CO -0.29 0.35 -0.06 -0.92 -0.57 0.00 0.00 179.45 177.96 2rpa h TYR 39 N 0.55 -0.16 -0.38 -1.35 5.03 -0.94 -2.75 116.97 116.98 2rpa h TYR 39 Ca 0.50 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.85 2rpa h TYR 39 Cb 1.04 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 2rpa h TYR 39 CO -0.00 0.23 0.26 -0.07 -1.32 0.00 0.00 178.16 177.25 2rpa h LEU 40 N -0.59 0.29 -1.21 2.82 3.38 -0.64 -0.20 115.31 119.16 2rpa h LEU 40 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2rpa h LEU 40 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2rpa h LEU 40 CO 0.03 0.19 -0.37 0.22 0.09 0.00 0.00 178.44 178.60 2rpa h TYR 41 N 0.33 0.00 -0.44 1.13 5.03 -0.89 -2.36 116.97 119.76 2rpa h TYR 41 Ca 0.16 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.47 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 0.37 0.00 0.45 -1.32 0.00 0.00 178.16 177.66 2rpa n SER 42 N -3.86 3.78 -4.84 -2.11 2.88 -0.11 -4.93 113.62 104.43 2rpa n SER 42 Ca -0.01 -2.43 -0.33 0.00 -1.33 0.00 0.00 58.87 54.77 2rpa n SER 42 Cb 0.43 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 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 -1.92 4.60 -0.16 2.46 1.01 -0.89 -5.00 120.40 120.51 2rpa s VAL 43 Ca 0.37 1.10 0.13 0.00 0.00 0.00 0.00 61.98 63.58 2rpa s VAL 43 Cb 0.25 -3.61 -0.19 0.00 0.00 0.00 0.00 36.38 32.84 2rpa s VAL 43 CO 0.15 -0.23 0.04 0.29 0.00 0.00 0.00 175.10 175.35 2rpa n LYS 44 N -0.45 1.40 -3.23 2.72 5.02 -1.26 -4.88 118.16 117.49 2rpa n LYS 44 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 2rpa n LYS 44 Cb 0.53 -1.40 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rpa s ASP 45 N -4.98 6.22 0.35 4.39 1.11 -1.26 -4.93 116.67 117.57 2rpa s ASP 45 Ca -0.09 -0.79 0.14 0.00 0.18 0.00 0.00 52.55 51.99 2rpa s ASP 45 Cb 0.05 -2.26 1.00 0.00 1.07 0.00 0.00 42.92 42.78 2rpa s ASP 45 CO 0.62 -0.75 1.73 0.71 1.18 0.00 0.00 175.17 178.66 2rpa h THR 46 N 5.81 0.48 -0.03 -1.27 1.35 -1.99 0.78 112.91 118.05 2rpa h THR 46 Ca -0.27 -0.16 -0.06 0.00 -0.55 0.00 0.00 66.41 65.37 2rpa h THR 46 Cb 1.10 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 2rpa h THR 46 CO 0.89 0.09 -0.29 -0.74 -0.25 0.00 0.00 175.52 175.22 2rpa h HIS 47 N 0.47 0.05 0.07 4.73 -0.00 -1.98 0.20 115.15 118.69 2rpa h HIS 47 Ca 0.65 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 61.01 2rpa h HIS 47 Cb 1.43 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.83 2rpa h HIS 47 CO -0.01 0.33 -0.03 1.25 -0.00 0.00 0.00 177.93 179.47 2rpa h LEU 48 N 0.04 -0.08 -0.45 0.26 6.46 0.15 -2.26 115.31 119.43 2rpa h LEU 48 Ca 0.00 -0.50 -0.05 0.00 -0.12 0.00 0.00 57.88 57.22 2rpa h LEU 48 Cb 0.53 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2rpa h LEU 48 CO 0.04 0.50 0.10 0.08 -0.62 0.00 0.00 178.44 178.53 2rpa h ARG 49 N -0.70 0.73 -0.31 1.25 0.11 -1.28 -2.64 114.38 111.53 2rpa h ARG 49 Ca -0.01 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 2rpa h ARG 49 Cb 0.57 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 2rpa h ARG 49 CO 0.02 0.74 0.15 -0.56 0.10 0.00 0.00 179.97 180.42 2rpa h GLN 50 N 0.61 0.42 -0.42 0.08 -0.00 -1.04 -0.41 115.11 114.35 2rpa h GLN 50 Ca 0.14 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.68 2rpa h GLN 50 Cb 0.34 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.72 2rpa h GLN 50 CO 0.00 0.33 -0.03 -0.22 -0.00 0.00 0.00 178.83 178.92 2rpa h LYS 51 N 0.43 0.76 -0.11 0.06 3.64 -1.06 -3.01 116.57 117.27 2rpa h LYS 51 Ca 0.11 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2rpa h LYS 51 Cb 0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2rpa h LYS 51 CO -0.02 0.85 -0.59 -1.49 -2.27 0.00 0.00 179.45 175.93 2rpa h TRP 52 N 0.59 0.46 -0.55 1.91 4.06 -1.11 -3.03 115.95 118.28 2rpa h TRP 52 Ca 0.12 -0.17 0.12 0.00 2.06 0.00 0.00 58.89 61.01 2rpa h TRP 52 Cb 0.53 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.57 2rpa h TRP 52 CO 0.04 0.86 0.38 0.37 -3.56 0.00 0.00 178.44 176.53 2rpa h GLN 53 N 0.27 0.22 -0.40 0.49 5.75 -0.96 -0.00 115.11 120.47 2rpa h GLN 53 Ca -0.00 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.36 2rpa h GLN 53 Cb 1.11 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 2rpa h GLN 53 CO 0.10 0.14 -0.23 0.37 -2.65 0.00 0.00 178.83 176.56 2rpa h GLN 54 N 0.22 0.82 -0.11 1.69 4.15 -1.46 -3.09 115.11 117.33 2rpa h GLN 54 Ca 0.26 -0.34 -0.21 0.00 0.77 0.00 0.00 58.65 59.13 2rpa h GLN 54 Cb 0.73 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.39 2rpa h GLN 54 CO -0.05 0.97 -0.79 0.28 -1.93 0.00 0.00 178.83 177.31 2rpa h VAL 55 N 0.71 1.32 -0.81 2.39 2.07 -1.15 -3.16 116.25 117.61 2rpa h VAL 55 Ca 0.09 -2.07 0.17 0.00 0.82 0.00 0.00 66.70 65.71 2rpa h VAL 55 Cb 0.76 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 2rpa h VAL 55 CO 0.06 0.64 0.54 -0.25 0.02 0.00 0.00 177.57 178.59 2rpa h TRP 56 N 0.43 0.51 -0.62 1.57 7.01 -1.10 0.68 115.95 124.42 2rpa h TRP 56 Ca -0.05 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.91 2rpa h TRP 56 Cb 1.40 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 2rpa h TRP 56 CO 0.07 0.17 0.19 1.96 -2.79 0.00 0.00 178.44 178.04 2rpa h GLN 57 N 0.42 0.95 -0.13 2.65 4.20 -1.51 -0.46 115.11 121.23 2rpa h GLN 57 Ca 0.41 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 2rpa h GLN 57 Cb 0.96 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2rpa h GLN 57 CO -0.14 0.82 -0.49 0.93 -0.67 0.00 0.00 178.83 179.28 2rpa h GLU 58 N 0.92 0.34 -0.08 1.46 5.08 -0.99 -1.54 114.58 119.77 2rpa h GLU 58 Ca 0.20 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2rpa h GLU 58 Cb 0.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2rpa h GLU 58 CO -0.01 0.76 -0.29 0.82 -1.00 0.00 0.00 179.01 179.29 2rpa h ILE 59 N 0.27 1.41 0.24 3.13 2.04 -0.98 -2.08 117.51 121.54 2rpa h ILE 59 Ca 0.01 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2rpa h ILE 59 Cb 0.97 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2rpa h ILE 59 CO 0.08 0.48 -0.11 -1.13 0.00 0.00 0.00 178.15 177.47 2rpa h ASN 60 N -0.13 -0.27 -0.70 1.72 -1.24 -1.10 -2.40 115.58 111.47 2rpa h ASN 60 Ca -0.01 -0.14 0.06 0.00 0.71 0.00 0.00 56.30 56.92 2rpa h ASN 60 Cb 0.93 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 40.00 2rpa h ASN 60 CO 0.06 -0.02 0.46 1.62 -1.29 0.00 0.00 177.43 178.26 2rpa h VAL 61 N -0.52 1.03 -0.18 2.57 3.04 -1.39 -2.22 116.25 118.59 2rpa h VAL 61 Ca -0.03 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2rpa h VAL 61 Cb 0.39 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 2rpa h VAL 61 CO 0.05 0.14 0.10 -0.08 -1.01 0.00 0.00 177.57 176.76 2rpa h GLU 62 N 0.74 0.25 -0.15 4.17 4.57 -1.20 -2.36 114.58 120.59 2rpa h GLU 62 Ca 0.30 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2rpa h GLU 62 Cb 0.22 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2rpa h GLU 62 CO -0.09 0.25 0.10 0.00 -1.18 0.00 0.00 179.01 178.09 2rpa h ALA 63 N 0.99 1.95 -0.38 2.92 0.00 -0.90 -2.18 119.26 121.66 2rpa h ALA 63 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2rpa h ALA 63 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2rpa h ALA 63 CO -0.01 0.03 0.13 -0.22 0.00 0.00 0.00 179.25 179.18 2rpa h LYS 64 N 0.16 0.59 -0.38 0.00 1.63 -1.03 -3.00 116.57 114.53 2rpa h LYS 64 Ca 0.06 -0.12 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2rpa h LYS 64 Cb 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2rpa h LYS 64 CO -0.01 0.58 0.19 1.96 -3.45 0.00 0.00 179.45 178.72 2rpa h GLN 65 N 0.47 0.38 -1.01 1.90 4.20 -1.15 -1.82 115.11 118.07 2rpa h GLN 65 Ca 0.13 -0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.07 2rpa h GLN 65 Cb 0.23 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 2rpa h GLN 65 CO -0.01 0.25 0.67 0.28 -0.67 0.00 0.00 178.83 179.35 2rpa h VAL 66 N 0.39 0.56 -0.40 -0.54 2.07 -1.38 0.42 116.25 117.36 2rpa h VAL 66 Ca 0.16 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2rpa h VAL 66 Cb 0.06 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2rpa h VAL 66 CO -0.11 0.06 0.27 0.50 0.02 0.00 0.00 177.57 178.31 2rpa h LYS 67 N 0.34 0.37 0.00 1.57 3.64 -1.26 -1.32 116.57 119.91 2rpa h LYS 67 Ca 0.55 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.87 2rpa h LYS 67 Cb 1.49 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2rpa h LYS 67 CO -0.22 0.24 -0.22 0.22 -2.27 0.00 0.00 179.45 177.20 2rpa h ASP 68 N 0.38 0.00 0.00 4.20 1.82 -0.25 -3.29 116.42 119.27 2rpa h ASP 68 Ca 0.17 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 2rpa h ASP 68 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2rpa h ASP 68 CO -0.04 1.00 0.10 2.30 -1.61 0.00 0.00 179.24 180.99 2rpa n ILE 69 N -4.61 1.12 -0.96 2.25 -5.35 -0.79 0.18 119.36 111.20 2rpa n ILE 69 Ca -0.12 0.67 0.06 0.00 -0.27 0.00 0.00 62.75 63.09 2rpa n ILE 69 Cb 0.43 -1.67 0.36 0.00 -1.74 0.00 0.00 39.64 37.02 2rpa n ILE 69 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2rpa n MET 70 N -1.97 4.23 -3.16 6.28 0.00 -0.51 -4.98 117.12 117.02 2rpa n MET 70 Ca -0.01 -3.08 -0.28 0.00 0.00 0.00 0.00 57.70 54.32 2rpa n MET 70 Cb 0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 33.22 31.16 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 -2.83 3.64 0.00 3.17 2.47 0.13 -5.04 119.74 121.28 2rpa s LYS 71 Ca 0.52 0.10 0.00 0.00 -1.56 0.00 0.00 55.97 55.02 2rpa s LYS 71 Cb 0.40 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 34.21 2rpa s LYS 71 CO 0.14 0.11 0.26 -2.37 0.16 0.00 0.00 175.35 173.65