#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 1.55 -4.65 6.43 5.75 -1.26 -5.02 116.55 119.35 2rpa n ASP -4 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2rpa n ASP -4 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2rpa n ASP -4 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2rpa s HIS -3 N -1.93 1.62 -0.05 2.11 3.76 -1.26 -4.84 115.29 114.71 2rpa s HIS -3 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 54.84 2rpa s HIS -3 Cb 0.00 -4.07 -0.02 0.00 1.11 0.00 0.00 32.58 29.60 2rpa s HIS -3 CO 0.00 -4.55 -0.06 -0.12 -0.85 0.00 0.00 174.74 169.16 2rpa n MET -2 N 7.47 0.11 -1.72 1.40 1.56 -1.26 -4.96 117.12 119.72 2rpa n MET -2 Ca 0.19 0.05 -0.39 0.00 -0.27 0.00 0.00 57.70 57.28 2rpa n MET -2 Cb 0.42 -0.69 -0.03 0.00 2.15 0.00 0.00 33.22 35.07 2rpa n MET -2 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2rpa s THR -1 N -2.09 3.14 -1.10 1.12 2.01 -1.26 -4.88 115.64 112.58 2rpa s THR -1 Ca -0.07 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2rpa s THR -1 Cb 0.03 -3.27 0.29 0.00 0.01 0.00 0.00 72.50 69.56 2rpa s THR -1 CO 0.09 -0.23 1.62 0.80 -0.69 0.00 0.00 174.62 176.21 2rpa n MET 1 N 8.90 4.62 -4.58 4.92 1.56 -1.26 -4.98 117.12 126.31 2rpa n MET 1 Ca 0.30 -4.46 -0.25 0.00 -0.27 0.00 0.00 57.70 53.03 2rpa n MET 1 Cb 0.51 -2.54 -0.14 0.00 2.15 0.00 0.00 33.22 33.20 2rpa n MET 1 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2rpa s SER 2 N -1.42 2.34 -0.01 6.12 0.01 -1.26 -5.02 113.70 114.46 2rpa s SER 2 Ca 0.34 -0.52 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2rpa s SER 2 Cb 0.09 -0.19 -0.12 0.00 0.21 0.00 0.00 66.02 66.01 2rpa s SER 2 CO 0.05 0.13 0.25 -0.11 0.41 0.00 0.00 173.24 173.97 2rpa n LEU 3 N 1.83 0.14 -0.09 2.44 0.00 -1.26 -4.61 117.00 115.44 2rpa n LEU 3 Ca -0.17 -0.17 -0.11 0.00 0.00 0.00 0.00 56.01 55.56 2rpa n LEU 3 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.92 2rpa n LEU 3 CO 0.23 0.03 0.79 -0.61 0.00 0.00 0.00 177.39 177.83 2rpa h GLN 4 N 0.00 0.48 0.00 1.96 5.75 -1.99 -2.31 115.11 119.00 2rpa h GLN 4 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2rpa h GLN 4 Cb 0.34 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2rpa h GLN 4 CO 0.00 0.61 0.33 0.00 -2.65 0.00 0.00 178.83 177.12 2rpa h MET 5 N 0.28 0.00 0.00 1.69 -0.00 -1.99 0.31 114.93 115.22 2rpa h MET 5 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 2rpa h MET 5 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2rpa h MET 5 CO 0.01 0.00 -0.30 -0.89 -0.00 0.00 0.00 176.91 175.73 2rpa n ILE 6 N -2.61 0.75 -0.10 -0.10 2.08 -0.91 -3.94 119.36 114.52 2rpa n ILE 6 Ca -0.02 0.35 0.17 0.00 0.56 0.00 0.00 62.75 63.81 2rpa n ILE 6 Cb 0.37 -1.96 0.57 0.00 -0.75 0.00 0.00 39.64 37.86 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 -0.52 0.79 -0.66 1.39 -1.51 -1.14 0.06 116.25 114.66 2rpa h VAL 7 Ca 0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.35 2rpa h VAL 7 Cb 0.30 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 29.92 2rpa h VAL 7 CO 0.00 0.05 0.32 1.05 -1.23 0.00 0.00 177.57 177.76 2rpa h GLU 8 N 0.28 0.93 -0.70 5.19 4.11 -0.59 -2.08 114.58 121.72 2rpa h GLU 8 Ca 0.32 -0.12 0.17 0.00 0.07 0.00 0.00 59.36 59.80 2rpa h GLU 8 Cb 0.87 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2rpa h GLU 8 CO -0.07 0.72 0.48 -0.91 0.07 0.00 0.00 179.01 179.30 2rpa h ASN 9 N 0.93 0.19 -1.01 3.06 -0.26 -1.09 -0.39 115.58 117.01 2rpa h ASN 9 Ca 0.23 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.11 2rpa h ASN 9 Cb 0.10 -0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.24 2rpa h ASN 9 CO -0.03 0.10 0.63 0.58 -1.06 0.00 0.00 177.43 177.65 2rpa h VAL 10 N 0.20 0.89 -0.22 2.81 2.07 -1.44 0.70 116.25 121.25 2rpa h VAL 10 Ca 0.34 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2rpa h VAL 10 Cb 1.05 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2rpa h VAL 10 CO -0.07 0.18 0.12 0.11 0.02 0.00 0.00 177.57 177.93 2rpa h LYS 11 N 0.97 0.30 -0.27 1.57 1.79 -1.21 0.11 116.57 119.83 2rpa h LYS 11 Ca 0.51 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.81 2rpa h LYS 11 Cb 0.55 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2rpa h LYS 11 CO -0.28 0.22 -0.45 1.25 -1.08 0.00 0.00 179.45 179.11 2rpa h LEU 12 N 0.31 0.74 -0.05 2.94 7.12 -0.94 -2.60 115.31 122.82 2rpa h LEU 12 Ca 0.08 -0.36 -0.25 0.00 0.13 0.00 0.00 57.88 57.49 2rpa h LEU 12 Cb 0.01 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 39.93 2rpa h LEU 12 CO -0.01 1.08 -1.07 0.00 -0.13 0.00 0.00 178.44 178.31 2rpa h ALA 13 N 0.95 0.25 -0.15 1.25 0.00 -1.00 -3.01 119.26 117.54 2rpa h ALA 13 Ca 0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 2rpa h ALA 13 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2rpa h ALA 13 CO 0.09 0.86 -0.13 -0.09 0.00 0.00 0.00 179.25 179.98 2rpa h ARG 14 N 0.18 0.24 -0.07 0.00 2.43 -0.79 -2.54 114.38 113.83 2rpa h ARG 14 Ca -0.11 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 2rpa h ARG 14 Cb 1.73 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.26 2rpa h ARG 14 CO 0.18 0.38 -0.46 1.49 -1.51 0.00 0.00 179.97 180.04 2rpa h GLU 15 N 0.23 0.44 -1.00 0.20 4.81 -1.48 -3.25 114.58 114.53 2rpa h GLU 15 Ca 0.05 -0.38 0.08 0.00 -0.13 0.00 0.00 59.36 58.97 2rpa h GLU 15 Cb 0.37 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2rpa h GLU 15 CO 0.02 1.02 0.64 1.88 -0.73 0.00 0.00 179.01 181.85 2rpa h TYR 16 N -0.02 1.19 -0.76 0.92 -1.99 -1.37 -1.65 116.97 113.29 2rpa h TYR 16 Ca -0.04 0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.82 2rpa h TYR 16 Cb 1.13 -0.39 -0.07 0.00 2.00 0.00 0.00 36.73 39.40 2rpa h TYR 16 CO 0.13 0.59 0.40 0.00 -0.00 0.00 0.00 178.16 179.28 2rpa h ALA 17 N 1.47 1.08 0.21 3.88 0.00 -1.21 0.14 119.26 124.83 2rpa h ALA 17 Ca 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2rpa h ALA 17 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rpa h ALA 17 CO -0.19 0.00 -0.10 -0.07 0.00 0.00 0.00 179.25 178.89 2rpa h LEU 18 N 0.67 -0.24 -1.92 0.00 3.38 -1.38 -3.02 115.31 112.80 2rpa h LEU 18 Ca 0.38 -0.27 0.30 0.00 0.09 0.00 0.00 57.88 58.38 2rpa h LEU 18 Cb 0.39 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2rpa h LEU 18 CO -0.27 0.18 0.82 -0.07 0.09 0.00 0.00 178.44 179.19 2rpa h LEU 19 N -0.72 0.00 0.00 1.67 3.38 -1.08 -3.44 115.31 115.13 2rpa h LEU 19 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2rpa h LEU 19 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2rpa h LEU 19 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2rpa n GLY 20 N -1.72 1.42 3.40 0.83 0.00 -0.70 -5.07 105.19 103.35 2rpa n GLY 20 Ca 0.22 0.00 -0.45 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 -1.06 6.59 -0.10 1.61 3.04 0.40 -4.81 114.94 120.60 2rpa s ASN 21 Ca 0.00 -2.12 -0.02 0.00 0.04 0.00 0.00 52.86 50.76 2rpa s ASN 21 Cb 0.00 -2.33 -0.25 0.00 -1.54 0.00 0.00 41.25 37.13 2rpa s ASN 21 CO 0.00 -0.93 0.43 -1.22 -3.04 0.00 0.00 177.10 172.33 2rpa n TYR 22 N 5.77 1.17 -0.31 0.43 4.02 -1.26 -2.63 117.16 124.36 2rpa n TYR 22 Ca 0.15 0.28 0.17 0.00 -0.01 0.00 0.00 57.90 58.50 2rpa n TYR 22 Cb 0.47 -1.17 0.43 0.00 -0.02 0.00 0.00 39.34 39.05 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 0.05 0.58 0.41 7.72 1.82 -1.95 0.23 116.42 125.29 2rpa h ASP 23 Ca -0.39 0.07 -0.16 0.00 -0.39 0.00 0.00 57.03 56.16 2rpa h ASP 23 Cb 2.03 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 42.00 2rpa h ASP 23 CO 0.08 0.20 -0.67 0.28 -1.61 0.00 0.00 179.24 177.53 2rpa h SER 24 N 0.57 0.27 -0.32 2.28 0.02 -1.97 -3.21 113.55 111.19 2rpa h SER 24 Ca 0.54 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2rpa h SER 24 Cb 1.11 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2rpa h SER 24 CO -0.29 0.85 0.20 0.00 -1.14 0.00 0.00 176.83 176.46 2rpa h ALA 25 N 1.14 0.40 -0.43 3.77 0.00 -0.68 -2.20 119.26 121.26 2rpa h ALA 25 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2rpa h ALA 25 Cb 1.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2rpa h ALA 25 CO 0.10 -0.11 0.28 0.52 0.00 0.00 0.00 179.25 180.05 2rpa h MET 26 N 0.42 0.45 -0.21 0.00 2.07 -1.45 0.31 114.93 116.52 2rpa h MET 26 Ca 0.12 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 2rpa h MET 26 Cb -0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.60 2rpa h MET 26 CO -0.02 0.30 0.08 0.28 1.07 0.00 0.00 176.91 178.62 2rpa h VAL 27 N 0.46 1.16 -0.15 -2.22 2.07 -1.41 -1.03 116.25 115.14 2rpa h VAL 27 Ca 0.17 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2rpa h VAL 27 Cb 0.12 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2rpa h VAL 27 CO -0.04 0.16 -0.23 1.88 0.02 0.00 0.00 177.57 179.36 2rpa h TYR 28 N 0.18 0.52 -0.20 1.57 -1.99 -1.12 -3.04 116.97 112.90 2rpa h TYR 28 Ca 0.07 -0.18 0.05 0.00 2.00 0.00 0.00 58.73 60.67 2rpa h TYR 28 Cb 0.17 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.75 2rpa h TYR 28 CO -0.01 0.85 -0.10 1.88 -0.00 0.00 0.00 178.16 180.79 2rpa h TYR 29 N 0.05 -0.23 -0.84 4.88 0.05 -0.93 0.48 116.97 120.44 2rpa h TYR 29 Ca 0.01 0.02 0.13 0.00 0.05 0.00 0.00 58.73 58.95 2rpa h TYR 29 Cb 0.80 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.61 2rpa h TYR 29 CO 0.09 -0.15 0.55 0.37 -1.05 0.00 0.00 178.16 177.97 2rpa h GLN 30 N -0.07 0.63 -0.10 4.88 5.75 -1.23 -1.71 115.11 123.25 2rpa h GLN 30 Ca 0.11 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 2rpa h GLN 30 Cb 0.23 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 28.65 2rpa h GLN 30 CO -0.24 0.41 -0.55 0.78 -2.65 0.00 0.00 178.83 176.58 2rpa h GLY 31 N 0.64 0.60 0.68 2.39 0.00 -1.12 -2.88 103.07 103.39 2rpa h GLY 31 Ca 0.41 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2rpa h GLY 31 CO -0.17 0.77 -0.10 -2.08 0.00 0.00 0.00 176.54 174.95 2rpa h VAL 32 N 0.14 0.73 -0.39 4.60 2.07 -0.15 0.52 116.25 123.77 2rpa h VAL 32 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2rpa h VAL 32 Cb 1.20 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2rpa h VAL 32 CO 0.11 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.81 2rpa h LEU 33 N -0.15 0.23 0.27 2.57 -0.00 -1.43 0.29 115.31 117.09 2rpa h LEU 33 Ca 0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2rpa h LEU 33 Cb 0.22 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2rpa h LEU 33 CO -0.14 0.17 -0.17 0.44 -0.00 0.00 0.00 178.44 178.74 2rpa h ASP 34 N 0.36 -0.43 -0.98 -0.43 3.32 -1.24 -1.46 116.42 115.56 2rpa h ASP 34 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2rpa h ASP 34 Cb 0.11 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2rpa h ASP 34 CO -0.15 -0.28 0.62 1.56 -1.72 0.00 0.00 179.24 179.27 2rpa h GLN 35 N -0.43 1.31 -0.06 3.56 1.08 -0.66 -2.64 115.11 117.27 2rpa h GLN 35 Ca -0.03 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2rpa h GLN 35 Cb 0.36 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2rpa h GLN 35 CO 0.02 0.89 -0.06 0.52 -0.95 0.00 0.00 178.83 179.25 2rpa h MET 36 N 1.34 -0.08 -0.30 1.46 2.86 -0.12 -2.56 114.93 117.52 2rpa h MET 36 Ca 0.35 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.06 2rpa h MET 36 Cb -0.10 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 2rpa h MET 36 CO -0.07 -0.06 -0.06 -0.91 1.06 0.00 0.00 176.91 176.88 2rpa h ASN 37 N -0.09 -0.24 -0.86 1.22 2.35 -0.99 -0.27 115.58 116.70 2rpa h ASN 37 Ca 0.05 0.09 0.21 0.00 -0.55 0.00 0.00 56.30 56.10 2rpa h ASN 37 Cb 0.15 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 2rpa h ASN 37 CO -0.11 -0.08 0.59 0.11 -1.65 0.00 0.00 177.43 176.28 2rpa h LYS 38 N 0.02 0.25 0.17 0.81 1.57 -1.19 -0.35 116.57 117.85 2rpa h LYS 38 Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2rpa h LYS 38 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2rpa h LYS 38 CO -0.30 0.16 -0.08 -0.92 -0.57 0.00 0.00 179.45 177.74 2rpa h TYR 39 N 0.25 -0.22 -0.64 -1.35 5.03 -0.68 -2.89 116.97 116.48 2rpa h TYR 39 Ca 0.43 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.88 2rpa h TYR 39 Cb 1.30 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.61 2rpa h TYR 39 CO -0.00 0.21 0.44 -0.07 -1.32 0.00 0.00 178.16 177.41 2rpa h LEU 40 N -0.86 0.24 -0.95 2.82 3.38 -0.52 0.16 115.31 119.58 2rpa h LEU 40 Ca -0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2rpa h LEU 40 Cb 0.52 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2rpa h LEU 40 CO 0.04 0.13 -0.51 0.22 0.09 0.00 0.00 178.44 178.41 2rpa h TYR 41 N 0.26 0.03 -0.11 1.13 5.03 -1.10 -2.49 116.97 119.73 2rpa h TYR 41 Ca 0.31 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.61 2rpa h TYR 41 Cb 0.85 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2rpa h TYR 41 CO -0.00 0.53 0.00 0.43 -1.32 0.00 0.00 178.16 177.80 2rpa n SER 42 N -3.93 1.29 -4.79 -2.11 7.64 0.51 -4.91 113.62 107.33 2rpa n SER 42 Ca -0.01 -1.60 -0.34 0.00 1.01 0.00 0.00 58.87 57.93 2rpa n SER 42 Cb 0.53 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.86 3.61 -0.18 0.44 1.01 -0.90 -4.99 120.40 117.52 2rpa s VAL 43 Ca 0.33 0.89 0.05 0.00 0.00 0.00 0.00 61.98 63.25 2rpa s VAL 43 Cb 0.17 -3.36 -0.14 0.00 0.00 0.00 0.00 36.38 33.05 2rpa s VAL 43 CO 0.27 -0.32 -0.11 0.29 0.00 0.00 0.00 175.10 175.23 2rpa n LYS 44 N -1.53 0.78 -3.05 2.72 4.76 -1.26 -4.89 118.16 115.70 2rpa n LYS 44 Ca 0.10 0.08 -0.43 0.00 -2.87 0.00 0.00 58.31 55.18 2rpa n LYS 44 Cb 0.52 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2rpa s ASP 45 N -5.60 6.34 0.46 4.39 1.11 -1.26 -4.92 116.67 117.20 2rpa s ASP 45 Ca -0.21 -0.32 0.25 0.00 0.18 0.00 0.00 52.55 52.45 2rpa s ASP 45 Cb 0.06 -2.35 1.28 0.00 1.07 0.00 0.00 42.92 42.98 2rpa s ASP 45 CO 0.50 -0.87 1.82 0.74 1.18 0.00 0.00 175.17 178.54 2rpa h THR 46 N 5.92 0.53 0.00 -1.27 2.02 -1.99 0.68 112.91 118.80 2rpa h THR 46 Ca -0.25 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 2rpa h THR 46 Cb 1.09 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2rpa h THR 46 CO 0.94 0.04 -0.43 -0.74 0.37 0.00 0.00 175.52 175.70 2rpa h HIS 47 N 0.23 0.00 -0.01 3.16 -0.00 -1.98 -0.04 115.15 116.51 2rpa h HIS 47 Ca 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.90 2rpa h HIS 47 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.07 2rpa h HIS 47 CO -0.00 0.43 -0.02 1.25 -0.00 0.00 0.00 177.93 179.58 2rpa h LEU 48 N 0.00 0.03 -0.10 0.26 6.46 -0.04 -2.89 115.31 119.03 2rpa h LEU 48 Ca -0.00 -0.62 -0.03 0.00 -0.12 0.00 0.00 57.88 57.11 2rpa h LEU 48 Cb 0.78 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2rpa h LEU 48 CO 0.06 0.65 -0.04 0.08 -0.62 0.00 0.00 178.44 178.57 2rpa h ARG 49 N -0.58 0.21 -0.77 1.25 0.11 -1.41 -2.90 114.38 110.29 2rpa h ARG 49 Ca -0.00 -0.08 0.21 0.00 0.10 0.00 0.00 59.98 60.20 2rpa h ARG 49 Cb 0.64 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.68 2rpa h ARG 49 CO 0.00 0.54 0.54 -0.56 0.10 0.00 0.00 179.97 180.59 2rpa h GLN 50 N -0.13 0.10 -0.18 0.08 3.07 -1.11 0.22 115.11 117.15 2rpa h GLN 50 Ca 0.02 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 2rpa h GLN 50 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.01 2rpa h GLN 50 CO 0.01 0.06 -0.37 -0.22 0.09 0.00 0.00 178.83 178.40 2rpa h LYS 51 N 0.10 0.58 -0.12 0.06 1.63 -1.32 -3.19 116.57 114.31 2rpa h LYS 51 Ca 0.37 -0.37 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 2rpa h LYS 51 Cb 1.34 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.01 2rpa h LYS 51 CO -0.04 0.99 -0.58 -1.49 -3.45 0.00 0.00 179.45 174.88 2rpa h TRP 52 N 0.24 0.47 -0.61 1.91 4.06 -0.81 -3.03 115.95 118.17 2rpa h TRP 52 Ca 0.01 -0.17 0.12 0.00 2.06 0.00 0.00 58.89 60.90 2rpa h TRP 52 Cb 0.97 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 29.01 2rpa h TRP 52 CO 0.09 0.86 0.42 0.37 -3.56 0.00 0.00 178.44 176.62 2rpa h GLN 53 N 0.28 0.33 -0.49 0.49 5.75 -0.68 0.45 115.11 121.24 2rpa h GLN 53 Ca -0.00 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 2rpa h GLN 53 Cb 1.09 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2rpa h GLN 53 CO 0.10 0.22 -0.19 0.37 -2.65 0.00 0.00 178.83 176.67 2rpa h GLN 54 N 0.34 0.98 -0.11 1.69 4.15 -1.52 -3.03 115.11 117.61 2rpa h GLN 54 Ca 0.29 -0.40 -0.21 0.00 0.77 0.00 0.00 58.65 59.09 2rpa h GLN 54 Cb 0.68 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.34 2rpa h GLN 54 CO -0.07 1.08 -0.79 0.28 -1.93 0.00 0.00 178.83 177.40 2rpa h VAL 55 N 0.86 1.32 -0.86 2.39 2.07 -1.21 -3.22 116.25 117.59 2rpa h VAL 55 Ca 0.12 -2.07 0.13 0.00 0.82 0.00 0.00 66.70 65.69 2rpa h VAL 55 Cb 0.76 2.07 -0.09 0.00 -1.52 0.00 0.00 31.29 32.52 2rpa h VAL 55 CO 0.06 0.64 0.47 -0.25 0.02 0.00 0.00 177.57 178.52 2rpa h TRP 56 N 0.43 0.84 -0.90 1.57 7.01 -0.92 -0.37 115.95 123.62 2rpa h TRP 56 Ca -0.05 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.01 2rpa h TRP 56 Cb 1.40 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 28.16 2rpa h TRP 56 CO 0.07 0.27 0.58 1.96 -2.79 0.00 0.00 178.44 178.53 2rpa h GLN 57 N 0.72 1.11 -0.07 2.65 4.20 -1.54 0.30 115.11 122.47 2rpa h GLN 57 Ca 0.45 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.97 2rpa h GLN 57 Cb 0.55 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2rpa h GLN 57 CO -0.31 0.73 -0.50 0.93 -0.67 0.00 0.00 178.83 179.01 2rpa h GLU 58 N 1.14 0.19 -0.11 1.46 5.08 -1.20 -2.26 114.58 118.89 2rpa h GLU 58 Ca 0.36 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 2rpa h GLU 58 Cb -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2rpa h GLU 58 CO -0.11 0.65 -0.70 0.82 -1.00 0.00 0.00 179.01 178.67 2rpa h ILE 59 N 0.16 1.35 -0.16 3.13 2.04 -0.28 -2.29 117.51 121.46 2rpa h ILE 59 Ca 0.01 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.74 2rpa h ILE 59 Cb 0.94 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2rpa h ILE 59 CO 0.07 0.62 -0.17 -1.13 0.00 0.00 0.00 178.15 177.55 2rpa h ASN 60 N 0.34 0.43 -0.03 1.72 -1.24 -0.86 -3.12 115.58 112.82 2rpa h ASN 60 Ca -0.03 -0.49 -0.06 0.00 0.71 0.00 0.00 56.30 56.44 2rpa h ASN 60 Cb 1.28 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2rpa h ASN 60 CO 0.13 0.83 -0.13 1.62 -1.29 0.00 0.00 177.43 178.58 2rpa h VAL 61 N 0.04 1.20 -0.21 2.57 3.04 -1.46 -2.96 116.25 118.48 2rpa h VAL 61 Ca 0.02 -0.87 0.03 0.00 -1.01 0.00 0.00 66.70 64.87 2rpa h VAL 61 Cb 0.71 1.19 -0.03 0.00 -2.01 0.00 0.00 31.29 31.15 2rpa h VAL 61 CO 0.04 0.28 0.01 -0.08 -1.01 0.00 0.00 177.57 176.81 2rpa h GLU 62 N 0.31 0.08 -0.54 4.17 4.81 -1.35 -1.36 114.58 120.69 2rpa h GLU 62 Ca 0.06 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 2rpa h GLU 62 Cb 0.42 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2rpa h GLU 62 CO 0.02 0.05 0.38 0.00 -0.73 0.00 0.00 179.01 178.74 2rpa h ALA 63 N 1.17 2.34 -0.57 2.92 0.00 -1.48 -0.83 119.26 122.80 2rpa h ALA 63 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2rpa h ALA 63 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2rpa h ALA 63 CO -0.15 -0.48 0.19 -0.22 0.00 0.00 0.00 179.25 178.58 2rpa h LYS 64 N 0.13 0.89 -0.68 0.00 3.64 -1.27 -2.89 116.57 116.39 2rpa h LYS 64 Ca 0.26 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2rpa h LYS 64 Cb 0.85 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 2rpa h LYS 64 CO -0.03 0.80 0.38 1.96 -2.27 0.00 0.00 179.45 180.29 2rpa h GLN 65 N 0.80 0.68 -0.90 1.90 4.20 -0.98 -1.52 115.11 119.29 2rpa h GLN 65 Ca 0.19 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.97 2rpa h GLN 65 Cb 0.27 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2rpa h GLN 65 CO -0.01 0.45 0.58 0.28 -0.67 0.00 0.00 178.83 179.46 2rpa h VAL 66 N 0.70 0.91 -0.29 -0.54 2.07 -1.43 0.36 116.25 118.04 2rpa h VAL 66 Ca 0.31 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2rpa h VAL 66 Cb 0.19 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2rpa h VAL 66 CO -0.18 0.15 0.15 0.11 0.02 0.00 0.00 177.57 177.81 2rpa h LYS 67 N 0.83 0.40 0.14 1.57 1.57 -1.21 0.09 116.57 119.96 2rpa h LYS 67 Ca 0.43 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2rpa h LYS 67 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2rpa h LYS 67 CO -0.20 0.31 -0.07 0.22 -0.57 0.00 0.00 179.45 179.15 2rpa h ASP 68 N 0.41 -0.16 -0.97 0.86 3.58 -0.87 -3.32 116.42 115.94 2rpa h ASP 68 Ca 0.11 -0.22 0.14 0.00 0.42 0.00 0.00 57.03 57.47 2rpa h ASP 68 Cb 0.04 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.04 2rpa h ASP 68 CO -0.02 0.41 0.59 0.16 -2.88 0.00 0.00 179.24 177.50 2rpa h ILE 69 N -1.00 0.85 -4.22 2.25 3.07 -1.25 -3.42 117.51 113.79 2rpa h ILE 69 Ca -0.02 -0.30 -0.52 0.00 1.55 0.00 0.00 64.86 65.57 2rpa h ILE 69 Cb 0.37 -0.11 0.13 0.00 -0.27 0.00 0.00 36.82 36.93 2rpa h ILE 69 CO 0.03 0.16 0.36 0.00 -1.05 0.00 0.00 178.15 177.65 2rpa s MET 70 N -5.94 2.42 -0.28 0.16 0.23 0.01 -5.00 119.30 110.90 2rpa s MET 70 Ca -0.12 1.44 -0.16 0.00 -1.03 0.00 0.00 55.69 55.83 2rpa s MET 70 Cb 0.23 -1.90 -0.03 0.00 -1.53 0.00 0.00 34.83 31.60 2rpa s MET 70 CO 0.80 -1.55 0.40 0.21 -2.03 0.00 0.00 175.02 172.85 2rpa s LYS 71 N -4.24 3.93 0.00 3.16 2.36 -1.26 -4.92 119.74 118.77 2rpa s LYS 71 Ca 0.67 -0.00 0.11 0.00 -2.55 0.00 0.00 55.97 54.20 2rpa s LYS 71 Cb -0.22 -3.69 0.08 0.00 -1.05 0.00 0.00 37.83 32.96 2rpa s LYS 71 CO 0.46 -0.35 0.84 -2.37 1.55 0.00 0.00 175.35 175.48