#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 -0.02 -4.18 -3.46 8.00 -1.26 -3.09 116.55 112.54 2rpa n ASP -4 Ca 0.00 0.85 -0.40 0.00 0.71 0.00 0.00 54.79 55.95 2rpa n ASP -4 Cb 0.00 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 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 -3.06 3.69 -0.61 1.24 3.76 -1.26 -4.87 115.29 114.19 2rpa s HIS -3 Ca -0.00 -2.61 0.10 0.00 -0.15 0.00 0.00 55.06 52.40 2rpa s HIS -3 Cb 0.00 -3.43 0.56 0.00 1.11 0.00 0.00 32.58 30.83 2rpa s HIS -3 CO 0.01 -0.86 1.37 0.00 -0.85 0.00 0.00 174.74 174.41 2rpa n MET -2 N 3.24 3.58 -0.78 1.40 0.00 -1.18 -4.46 117.12 118.94 2rpa n MET -2 Ca 0.14 -2.16 -0.12 0.00 0.00 0.00 0.00 57.70 55.56 2rpa n MET -2 Cb 0.40 -1.98 0.03 0.00 0.00 0.00 0.00 33.22 31.67 2rpa n MET -2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2rpa n THR -1 N 0.48 2.54 0.31 3.17 -2.24 -1.26 -4.33 114.28 112.95 2rpa n THR -1 Ca 0.19 -1.32 0.15 0.00 -2.27 0.00 0.00 64.05 60.80 2rpa n THR -1 Cb 0.87 -1.35 0.51 0.00 -2.10 0.00 0.00 70.33 68.25 2rpa n THR -1 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rpa h MET 1 N 1.31 0.00 -7.38 -0.78 -0.00 -2.03 -3.45 114.93 102.60 2rpa h MET 1 Ca 0.22 0.00 -0.45 0.00 -0.00 0.00 0.00 59.70 59.46 2rpa h MET 1 Cb 0.97 0.00 0.16 0.00 -0.00 0.00 0.00 31.60 32.72 2rpa h MET 1 CO 0.55 0.00 0.21 -1.12 -0.00 0.00 0.00 176.91 176.55 2rpa s SER 2 N -5.53 2.71 -0.04 -0.10 0.01 -1.26 -5.00 113.70 104.49 2rpa s SER 2 Ca 0.04 1.14 0.07 0.00 1.31 0.00 0.00 55.95 58.50 2rpa s SER 2 Cb 0.08 -1.79 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2rpa s SER 2 CO 0.56 -3.07 0.09 -0.11 0.41 0.00 0.00 173.24 171.12 2rpa n LEU 3 N -4.13 0.00 -0.19 2.44 0.00 -1.26 -4.64 117.00 109.22 2rpa n LEU 3 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.05 2rpa n LEU 3 Cb 0.58 0.08 0.09 0.00 0.00 0.00 0.00 43.42 44.17 2rpa n LEU 3 CO 0.57 0.08 0.98 1.56 0.00 0.00 0.00 177.39 180.59 2rpa h GLN 4 N 0.00 0.39 0.00 1.96 1.08 -1.98 0.13 115.11 116.69 2rpa h GLN 4 Ca -0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2rpa h GLN 4 Cb 0.86 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2rpa h GLN 4 CO 0.00 0.26 0.39 0.52 -0.95 0.00 0.00 178.83 179.05 2rpa h MET 5 N 0.40 0.00 0.00 1.46 2.86 -1.98 0.31 114.93 117.98 2rpa h MET 5 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 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 -0.44 -0.89 1.06 0.00 0.00 176.91 176.37 2rpa n ILE 6 N -2.44 0.74 -0.17 -1.22 2.08 0.41 -4.06 119.36 114.70 2rpa n ILE 6 Ca -0.01 0.33 0.23 0.00 0.56 0.00 0.00 62.75 63.86 2rpa n ILE 6 Cb 0.42 -1.93 0.63 0.00 -0.75 0.00 0.00 39.64 38.01 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 -0.50 0.64 -0.11 1.39 -1.51 -1.07 0.32 116.25 115.41 2rpa h VAL 7 Ca 0.00 -0.06 -0.08 0.00 -1.23 0.00 0.00 66.70 65.33 2rpa h VAL 7 Cb 0.44 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 2rpa h VAL 7 CO 0.00 0.03 -0.32 1.05 -1.23 0.00 0.00 177.57 177.10 2rpa h GLU 8 N 0.17 0.21 -0.72 5.19 -0.00 -0.61 -2.75 114.58 116.07 2rpa h GLU 8 Ca 0.41 -0.08 0.18 0.00 -0.00 0.00 0.00 59.36 59.87 2rpa h GLU 8 Cb 1.36 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 30.06 2rpa h GLU 8 CO -0.07 0.51 0.50 -0.91 -0.00 0.00 0.00 179.01 179.03 2rpa h ASN 9 N 0.18 0.18 -0.68 3.06 -0.26 -0.49 -0.69 115.58 116.88 2rpa h ASN 9 Ca 0.02 0.01 0.07 0.00 -0.56 0.00 0.00 56.30 55.85 2rpa h ASN 9 Cb 0.66 -0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.83 2rpa h ASN 9 CO 0.05 0.09 0.36 0.58 -1.06 0.00 0.00 177.43 177.45 2rpa h VAL 10 N 0.19 0.92 -0.68 2.81 2.07 -1.56 -0.83 116.25 119.17 2rpa h VAL 10 Ca 0.35 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.73 2rpa h VAL 10 Cb 1.10 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2rpa h VAL 10 CO -0.06 0.12 0.45 0.11 0.02 0.00 0.00 177.57 178.20 2rpa h LYS 11 N 0.65 0.59 -0.31 1.57 1.79 -1.29 0.20 116.57 119.77 2rpa h LYS 11 Ca 0.32 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.57 2rpa h LYS 11 Cb 0.26 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2rpa h LYS 11 CO -0.22 0.39 -0.52 1.25 -1.08 0.00 0.00 179.45 179.27 2rpa h LEU 12 N 0.61 0.99 -0.08 2.94 7.12 -1.22 -2.82 115.31 122.85 2rpa h LEU 12 Ca 0.30 -0.52 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 2rpa h LEU 12 Cb 0.39 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2rpa h LEU 12 CO -0.10 1.32 -0.10 0.00 -0.13 0.00 0.00 178.44 179.43 2rpa h ALA 13 N 0.69 0.12 -0.82 1.25 0.00 -0.57 -3.07 119.26 116.87 2rpa h ALA 13 Ca 0.02 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.76 2rpa h ALA 13 Cb 1.13 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2rpa h ALA 13 CO 0.12 -0.03 0.41 -0.09 0.00 0.00 0.00 179.25 179.66 2rpa h ARG 14 N -0.24 0.60 -0.99 0.00 2.43 -0.70 -0.08 114.38 115.39 2rpa h ARG 14 Ca 0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2rpa h ARG 14 Cb 0.64 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 2rpa h ARG 14 CO 0.02 0.39 0.66 1.49 -1.51 0.00 0.00 179.97 181.02 2rpa h GLU 15 N 0.61 1.29 0.00 0.20 4.57 -1.50 -1.42 114.58 118.34 2rpa h GLU 15 Ca 0.44 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.47 2rpa h GLU 15 Cb 0.59 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2rpa h GLU 15 CO -0.35 0.85 -0.32 1.88 -1.18 0.00 0.00 179.01 179.90 2rpa h TYR 16 N 1.33 0.00 -0.26 0.92 -1.99 -0.94 -2.06 116.97 113.97 2rpa h TYR 16 Ca 0.37 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.93 2rpa h TYR 16 Cb -0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.60 2rpa h TYR 16 CO -0.00 0.32 -0.49 0.00 -0.00 0.00 0.00 178.16 177.99 2rpa h ALA 17 N 1.68 0.41 0.10 3.88 0.00 -0.49 0.92 119.26 125.76 2rpa h ALA 17 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2rpa h ALA 17 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rpa h ALA 17 CO 0.04 0.59 -0.05 -0.07 0.00 0.00 0.00 179.25 179.76 2rpa h LEU 18 N 0.55 -0.12 -0.51 0.00 3.38 -1.18 -3.22 115.31 114.22 2rpa h LEU 18 Ca 0.01 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.76 2rpa h LEU 18 Cb 1.10 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2rpa h LEU 18 CO 0.11 0.27 -0.01 -0.07 0.09 0.00 0.00 178.44 178.83 2rpa h LEU 19 N -0.52 -0.23 0.00 1.67 4.07 -1.46 -3.45 115.31 115.39 2rpa h LEU 19 Ca -0.01 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2rpa h LEU 19 Cb 0.43 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2rpa h LEU 19 CO 0.02 -0.08 0.00 0.61 -1.08 0.00 0.00 178.44 177.91 2rpa n GLY 20 N -1.32 0.19 3.40 0.83 0.00 -1.02 -5.09 105.19 102.18 2rpa n GLY 20 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 6.72 -0.05 1.61 3.04 0.31 -4.83 114.94 121.75 2rpa s ASN 21 Ca 0.00 -2.38 -0.18 0.00 0.04 0.00 0.00 52.86 50.34 2rpa s ASN 21 Cb 0.00 -2.32 -0.31 0.00 -1.54 0.00 0.00 41.25 37.08 2rpa s ASN 21 CO 0.00 -0.84 0.78 1.88 -3.04 0.00 0.00 177.10 175.88 2rpa h TYR 22 N 8.29 0.62 -0.85 0.43 -1.99 -1.81 -2.87 116.97 118.79 2rpa h TYR 22 Ca 0.15 -0.45 0.17 0.00 2.00 0.00 0.00 58.73 60.59 2rpa h TYR 22 Cb 1.02 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.62 2rpa h TYR 22 CO 1.10 1.48 0.40 0.22 -0.00 0.00 0.00 178.16 181.37 2rpa h ASP 23 N -0.20 0.44 -0.22 3.88 3.58 -1.92 0.21 116.42 122.19 2rpa h ASP 23 Ca -0.24 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 2rpa h ASP 23 Cb 1.83 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.92 2rpa h ASP 23 CO 0.15 0.14 0.05 -1.28 -2.88 0.00 0.00 179.24 175.42 2rpa h SER 24 N 0.54 0.41 -0.43 2.28 0.87 -1.94 -2.60 113.55 112.68 2rpa h SER 24 Ca 0.48 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 2rpa h SER 24 Cb 0.76 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2rpa h SER 24 CO -0.41 0.45 0.07 0.00 -0.53 0.00 0.00 176.83 176.40 2rpa h ALA 25 N 1.61 0.57 -0.37 6.23 0.00 -0.69 -2.76 119.26 123.86 2rpa h ALA 25 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rpa h ALA 25 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2rpa h ALA 25 CO 0.00 0.30 0.18 0.52 0.00 0.00 0.00 179.25 180.24 2rpa h MET 26 N 0.57 0.51 -0.16 0.00 2.07 -1.04 0.57 114.93 117.46 2rpa h MET 26 Ca 0.13 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 2rpa h MET 26 Cb 0.39 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2rpa h MET 26 CO 0.01 0.41 0.07 0.28 1.07 0.00 0.00 176.91 178.74 2rpa h VAL 27 N 0.52 1.14 -0.21 -2.22 2.07 -1.22 -1.29 116.25 115.05 2rpa h VAL 27 Ca 0.13 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2rpa h VAL 27 Cb 0.06 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2rpa h VAL 27 CO -0.02 0.13 -0.39 1.88 0.02 0.00 0.00 177.57 179.20 2rpa h TYR 28 N 0.11 0.79 0.13 1.57 -1.99 -1.27 -3.11 116.97 113.20 2rpa h TYR 28 Ca 0.05 -0.28 0.02 0.00 2.00 0.00 0.00 58.73 60.52 2rpa h TYR 28 Cb 0.15 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.70 2rpa h TYR 28 CO -0.02 1.04 -0.29 1.88 -0.00 0.00 0.00 178.16 180.77 2rpa h TYR 29 N 0.31 -0.79 -0.96 4.88 0.05 -0.85 0.40 116.97 120.02 2rpa h TYR 29 Ca 0.01 0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.01 2rpa h TYR 29 Cb 0.99 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.97 2rpa h TYR 29 CO 0.09 -0.40 0.62 0.37 -1.05 0.00 0.00 178.16 177.79 2rpa h GLN 30 N -0.52 0.51 -0.10 4.88 5.75 -1.30 0.38 115.11 124.72 2rpa h GLN 30 Ca 0.03 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.29 2rpa h GLN 30 Cb 0.54 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2rpa h GLN 30 CO -0.16 0.34 -0.77 0.78 -2.65 0.00 0.00 178.83 176.36 2rpa h GLY 31 N 0.52 0.61 0.86 2.39 0.00 -1.22 -2.65 103.07 103.58 2rpa h GLY 31 Ca 0.52 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2rpa h GLY 31 CO -0.26 0.79 0.06 -2.08 0.00 0.00 0.00 176.54 175.05 2rpa h VAL 32 N 0.37 1.21 -0.74 4.60 2.07 0.11 0.62 116.25 124.48 2rpa h VAL 32 Ca -0.05 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2rpa h VAL 32 Cb 1.38 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2rpa h VAL 32 CO 0.14 0.21 0.31 -0.07 0.02 0.00 0.00 177.57 178.19 2rpa h LEU 33 N 0.18 1.01 0.02 2.57 -0.00 -1.30 0.39 115.31 118.18 2rpa h LEU 33 Ca 0.07 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2rpa h LEU 33 Cb 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2rpa h LEU 33 CO 0.00 0.90 -0.01 0.44 -0.00 0.00 0.00 178.44 179.77 2rpa h ASP 34 N 1.06 -0.03 -0.57 -0.43 3.32 -1.35 -2.53 116.42 115.90 2rpa h ASP 34 Ca 0.25 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2rpa h ASP 34 Cb 0.19 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2rpa h ASP 34 CO -0.02 0.33 0.05 1.56 -1.72 0.00 0.00 179.24 179.44 2rpa h GLN 35 N -0.38 1.00 -0.22 3.56 1.08 -0.78 -3.01 115.11 116.35 2rpa h GLN 35 Ca -0.00 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2rpa h GLN 35 Cb 0.36 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2rpa h GLN 35 CO 0.01 0.95 -0.01 0.52 -0.95 0.00 0.00 178.83 179.34 2rpa h MET 36 N 0.93 0.05 -0.48 1.46 2.86 -0.20 -2.41 114.93 117.14 2rpa h MET 36 Ca 0.18 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 2rpa h MET 36 Cb 0.47 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2rpa h MET 36 CO 0.02 0.03 0.12 -0.91 1.06 0.00 0.00 176.91 177.23 2rpa h ASN 37 N 0.05 0.05 -0.96 1.22 2.35 -1.34 -0.63 115.58 116.32 2rpa h ASN 37 Ca 0.11 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.12 2rpa h ASN 37 Cb 0.14 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.52 2rpa h ASN 37 CO -0.19 0.05 0.61 0.11 -1.65 0.00 0.00 177.43 176.36 2rpa h LYS 38 N 0.26 0.63 -0.12 0.81 1.57 -1.32 0.10 116.57 118.50 2rpa h LYS 38 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2rpa h LYS 38 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2rpa h LYS 38 CO -0.29 0.41 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.95 2rpa h TYR 39 N 0.65 0.36 -0.25 -1.35 5.03 -0.84 -1.74 116.97 118.82 2rpa h TYR 39 Ca 0.52 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.70 2rpa h TYR 39 Cb 0.96 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 2rpa h TYR 39 CO -0.00 0.72 0.07 -0.07 -1.32 0.00 0.00 178.16 177.55 2rpa h LEU 40 N -0.11 0.32 -0.29 2.82 3.38 -0.40 -1.53 115.31 119.51 2rpa h LEU 40 Ca 0.02 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2rpa h LEU 40 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2rpa h LEU 40 CO 0.03 0.32 -0.49 0.22 0.09 0.00 0.00 178.44 178.61 2rpa h TYR 41 N 0.35 0.00 -0.14 1.13 5.03 -0.78 -3.02 116.97 119.54 2rpa h TYR 41 Ca 0.09 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2rpa h TYR 41 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2rpa h TYR 41 CO 0.00 0.49 0.00 0.45 -1.32 0.00 0.00 178.16 177.78 2rpa n SER 42 N -3.32 1.18 -4.84 -2.11 2.88 -0.61 -4.88 113.62 101.93 2rpa n SER 42 Ca 0.01 -1.71 -0.32 0.00 -1.33 0.00 0.00 58.87 55.52 2rpa n SER 42 Cb 0.68 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.81 4.53 -0.07 2.46 1.01 -1.02 -4.99 120.40 120.50 2rpa s VAL 43 Ca 0.27 1.21 0.14 0.00 0.00 0.00 0.00 61.98 63.61 2rpa s VAL 43 Cb 0.14 -3.63 -0.21 0.00 0.00 0.00 0.00 36.38 32.68 2rpa s VAL 43 CO 0.22 -0.34 0.22 0.29 0.00 0.00 0.00 175.10 175.49 2rpa n LYS 44 N -0.72 0.96 -3.46 2.72 5.02 -1.26 -4.84 118.16 116.58 2rpa n LYS 44 Ca 0.05 -0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 2rpa n LYS 44 Cb 0.54 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 2rpa n LYS 44 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2rpa s ASP 45 N -4.19 5.92 0.55 4.39 2.15 -1.26 -4.93 116.67 119.31 2rpa s ASP 45 Ca -0.06 -1.93 0.46 0.00 0.43 0.00 0.00 52.55 51.45 2rpa s ASP 45 Cb 0.08 -2.09 1.68 0.00 -0.30 0.00 0.00 42.92 42.28 2rpa s ASP 45 CO 0.62 -0.74 1.65 0.71 -0.17 0.00 0.00 175.17 177.24 2rpa h THR 46 N 5.96 0.15 -0.56 1.71 1.35 -1.97 1.10 112.91 120.66 2rpa h THR 46 Ca -0.22 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.54 2rpa h THR 46 Cb 1.08 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2rpa h THR 46 CO 0.92 0.00 -0.01 0.45 -0.25 0.00 0.00 175.52 176.62 2rpa h HIS 47 N 0.00 1.09 0.09 4.73 3.86 -1.97 0.57 115.15 123.51 2rpa h HIS 47 Ca 0.81 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.82 2rpa h HIS 47 Cb 3.25 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 31.44 2rpa h HIS 47 CO 0.00 0.98 -0.04 1.25 0.86 0.00 0.00 177.93 180.98 2rpa h LEU 48 N 0.87 -0.10 -1.01 2.43 5.85 0.84 -2.77 115.31 121.43 2rpa h LEU 48 Ca 0.16 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2rpa h LEU 48 Cb 0.56 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2rpa h LEU 48 CO 0.03 0.26 -0.48 0.08 -0.34 0.00 0.00 178.44 177.99 2rpa h ARG 49 N -0.48 0.00 -0.54 1.25 0.11 -1.46 -2.93 114.38 110.33 2rpa h ARG 49 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 2rpa h ARG 49 Cb 0.40 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.46 2rpa h ARG 49 CO 0.02 0.48 0.25 0.37 0.10 0.00 0.00 179.97 181.19 2rpa h GLN 50 N 0.00 0.76 -0.18 0.08 5.75 0.20 -2.09 115.11 119.63 2rpa h GLN 50 Ca -0.00 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.31 2rpa h GLN 50 Cb 0.88 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 2rpa h GLN 50 CO 0.06 0.60 -0.22 -0.22 -2.65 0.00 0.00 178.83 176.40 2rpa h LYS 51 N 0.76 0.47 -0.47 1.69 3.64 -1.30 -3.10 116.57 118.25 2rpa h LYS 51 Ca 0.19 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2rpa h LYS 51 Cb 0.10 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2rpa h LYS 51 CO -0.02 0.84 0.31 -1.49 -2.27 0.00 0.00 179.45 176.82 2rpa h TRP 52 N 0.13 0.53 -0.40 1.91 -0.00 -1.43 -1.10 115.95 115.58 2rpa h TRP 52 Ca 0.02 0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.04 2rpa h TRP 52 Cb 0.78 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 2rpa h TRP 52 CO 0.08 0.32 0.31 0.37 -0.00 0.00 0.00 178.44 179.52 2rpa h GLN 53 N 0.55 0.00 -0.18 0.49 4.15 -1.30 0.17 115.11 119.00 2rpa h GLN 53 Ca 0.18 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.45 2rpa h GLN 53 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2rpa h GLN 53 CO -0.04 0.00 -0.51 0.37 -1.93 0.00 0.00 178.83 176.71 2rpa h GLN 54 N 0.00 0.66 -0.08 1.69 4.15 -1.29 -3.01 115.11 117.24 2rpa h GLN 54 Ca 0.19 -0.47 -0.20 0.00 0.77 0.00 0.00 58.65 58.94 2rpa h GLN 54 Cb 0.80 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 2rpa h GLN 54 CO -0.00 1.09 -0.77 0.28 -1.93 0.00 0.00 178.83 177.50 2rpa h VAL 55 N 0.34 1.37 -0.78 2.39 2.07 -1.20 -3.18 116.25 117.25 2rpa h VAL 55 Ca -0.01 -2.16 0.04 0.00 0.82 0.00 0.00 66.70 65.38 2rpa h VAL 55 Cb 1.13 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 2rpa h VAL 55 CO 0.11 0.65 0.52 -0.25 0.02 0.00 0.00 177.57 178.62 2rpa h TRP 56 N 0.31 0.92 -0.79 1.57 7.01 -0.76 -1.86 115.95 122.36 2rpa h TRP 56 Ca -0.04 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2rpa h TRP 56 Cb 1.37 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 28.08 2rpa h TRP 56 CO 0.05 0.53 0.49 1.96 -2.79 0.00 0.00 178.44 178.68 2rpa h GLN 57 N 0.95 1.06 -0.26 2.65 4.20 -1.50 -1.45 115.11 120.76 2rpa h GLN 57 Ca 0.31 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2rpa h GLN 57 Cb 0.06 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2rpa h GLN 57 CO -0.09 0.73 -0.00 0.93 -0.67 0.00 0.00 178.83 179.73 2rpa h GLU 58 N 1.07 0.45 -0.44 1.46 5.08 -1.43 -2.46 114.58 118.32 2rpa h GLU 58 Ca 0.28 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2rpa h GLU 58 Cb -0.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2rpa h GLU 58 CO -0.06 0.63 0.21 0.82 -1.00 0.00 0.00 179.01 179.61 2rpa h ILE 59 N 0.23 0.96 -0.95 3.13 2.04 -1.13 0.26 117.51 122.05 2rpa h ILE 59 Ca 0.07 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2rpa h ILE 59 Cb 0.42 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2rpa h ILE 59 CO 0.01 0.08 0.63 -1.13 0.00 0.00 0.00 178.15 177.74 2rpa h ASN 60 N 0.43 1.07 -0.38 1.72 -1.24 -1.22 -2.30 115.58 113.66 2rpa h ASN 60 Ca 0.19 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.03 2rpa h ASN 60 Cb 0.11 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2rpa h ASN 60 CO -0.14 0.77 -0.32 0.58 -1.29 0.00 0.00 177.43 177.02 2rpa h VAL 61 N 1.26 1.27 -0.77 2.57 2.07 -0.88 -3.06 116.25 118.72 2rpa h VAL 61 Ca 0.36 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.46 2rpa h VAL 61 Cb -0.10 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2rpa h VAL 61 CO -0.09 0.50 0.44 -0.08 0.02 0.00 0.00 177.57 178.36 2rpa h GLU 62 N 0.77 0.74 -0.08 1.57 4.57 -0.42 -0.45 114.58 121.29 2rpa h GLU 62 Ca 0.08 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2rpa h GLU 62 Cb 0.90 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2rpa h GLU 62 CO 0.08 0.49 -0.18 0.00 -1.18 0.00 0.00 179.01 178.22 2rpa h ALA 63 N 1.41 1.56 -0.16 2.92 0.00 -1.41 -2.85 119.26 120.72 2rpa h ALA 63 Ca 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2rpa h ALA 63 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rpa h ALA 63 CO -0.22 0.32 -0.06 -0.22 0.00 0.00 0.00 179.25 179.07 2rpa h LYS 64 N 0.12 0.33 0.19 0.00 1.63 -1.01 -3.04 116.57 114.79 2rpa h LYS 64 Ca 0.02 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2rpa h LYS 64 Cb 0.39 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2rpa h LYS 64 CO 0.03 0.63 -0.30 1.96 -3.45 0.00 0.00 179.45 178.31 2rpa h GLN 65 N 0.02 -0.54 -1.08 1.90 1.08 -1.16 -1.58 115.11 113.75 2rpa h GLN 65 Ca 0.04 0.04 0.29 0.00 -1.45 0.00 0.00 58.65 57.57 2rpa h GLN 65 Cb 0.52 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.99 2rpa h GLN 65 CO 0.02 -0.36 0.71 0.28 -0.95 0.00 0.00 178.83 178.53 2rpa h VAL 66 N -0.57 0.48 -0.68 -0.54 2.07 -1.56 0.46 116.25 115.92 2rpa h VAL 66 Ca 0.01 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.58 2rpa h VAL 66 Cb 0.57 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2rpa h VAL 66 CO -0.14 0.05 0.46 0.50 0.02 0.00 0.00 177.57 178.47 2rpa h LYS 67 N 0.29 0.27 0.00 1.57 1.63 -1.16 -0.50 116.57 118.66 2rpa h LYS 67 Ca 0.60 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.35 2rpa h LYS 67 Cb 1.72 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.29 2rpa h LYS 67 CO -0.24 0.18 -0.22 0.22 -3.45 0.00 0.00 179.45 175.94 2rpa h ASP 68 N 0.27 0.00 0.00 4.20 3.58 -0.12 -3.30 116.42 121.06 2rpa h ASP 68 Ca 0.33 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2rpa h ASP 68 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2rpa h ASP 68 CO -0.08 0.94 0.11 2.30 -2.88 0.00 0.00 179.24 179.64 2rpa n ILE 69 N -4.62 1.13 -0.73 2.25 -5.35 -0.99 0.48 119.36 111.53 2rpa n ILE 69 Ca -0.11 0.66 0.08 0.00 -0.27 0.00 0.00 62.75 63.12 2rpa n ILE 69 Cb 0.39 -1.66 0.33 0.00 -1.74 0.00 0.00 39.64 36.96 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 -1.92 3.77 -1.13 6.28 0.00 -0.23 -5.01 117.12 118.87 2rpa n MET 70 Ca -0.01 -2.87 -0.35 0.00 0.00 0.00 0.00 57.70 54.48 2rpa n MET 70 Cb 0.13 -1.91 0.10 0.00 0.00 0.00 0.00 33.22 31.53 2rpa n MET 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2rpa n LYS 71 N 0.60 0.16 0.00 3.17 3.00 0.18 -5.03 118.16 120.24 2rpa n LYS 71 Ca 0.24 0.11 0.13 0.00 -0.00 0.00 0.00 58.31 58.79 2rpa n LYS 71 Cb 0.92 -2.02 0.29 0.00 0.00 0.00 0.00 35.03 34.22 2rpa n LYS 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65