#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 5.81 0.36 -3.46 2.15 -1.26 -5.07 116.67 115.21 2rpa s ASP -4 Ca 0.00 -0.21 -0.28 0.00 0.43 0.00 0.00 52.55 52.49 2rpa s ASP -4 Cb 0.00 -1.35 -0.11 0.00 -0.30 0.00 0.00 42.92 41.16 2rpa s ASP -4 CO 0.00 -0.26 1.44 1.41 -0.17 0.00 0.00 175.17 177.59 2rpa n HIS -3 N -1.44 2.79 -3.60 -5.34 8.25 -1.26 -4.99 115.22 109.63 2rpa n HIS -3 Ca -0.04 0.46 -0.05 0.00 -0.26 0.00 0.00 57.72 57.83 2rpa n HIS -3 Cb 0.58 -2.50 -0.02 0.00 1.12 0.00 0.00 29.99 29.17 2rpa n HIS -3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rpa s MET -2 N -1.93 0.73 -0.05 -0.41 0.23 -1.26 -5.17 119.30 111.44 2rpa s MET -2 Ca 0.55 -0.33 0.05 0.00 -1.03 0.00 0.00 55.69 54.93 2rpa s MET -2 Cb -0.50 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.09 2rpa s MET -2 CO 0.62 -0.33 -0.21 0.95 -2.03 0.00 0.00 175.02 174.03 2rpa s THR -1 N -2.90 1.74 -1.25 3.16 -4.23 -1.26 -5.06 115.64 105.83 2rpa s THR -1 Ca 0.09 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 2rpa s THR -1 Cb -0.00 -1.48 0.14 0.00 1.34 0.00 0.00 72.50 72.50 2rpa s THR -1 CO -0.05 0.49 1.61 0.23 -0.54 0.00 0.00 174.62 176.36 2rpa n MET 1 N 3.01 3.34 -2.23 3.99 2.81 -1.26 -4.81 117.12 121.97 2rpa n MET 1 Ca -0.18 -3.61 -0.36 0.00 -1.81 0.00 0.00 57.70 51.74 2rpa n MET 1 Cb 0.52 -3.14 0.02 0.00 -0.71 0.00 0.00 33.22 29.91 2rpa n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2rpa n SER 2 N 6.06 6.64 -4.02 7.83 2.88 -1.26 -4.86 113.62 126.90 2rpa n SER 2 Ca 0.41 -3.78 -0.29 0.00 -1.33 0.00 0.00 58.87 53.88 2rpa n SER 2 Cb 0.42 -0.91 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.44 -2.13 -0.02 2.46 7.94 -1.26 -4.88 117.00 118.67 2rpa n LEU 3 Ca 0.48 -0.99 -0.04 0.00 -1.11 0.00 0.00 56.01 54.35 2rpa n LEU 3 Cb 0.35 -2.22 -0.01 0.00 0.53 0.00 0.00 43.42 42.07 2rpa n LEU 3 CO 0.46 0.40 -0.29 1.67 -1.11 0.00 0.00 177.39 178.52 2rpa n GLN 4 N -4.42 0.23 -0.15 1.96 -0.06 -1.26 -4.36 117.38 109.31 2rpa n GLN 4 Ca -0.18 0.09 0.20 0.00 -2.00 0.00 0.00 57.00 55.11 2rpa n GLN 4 Cb 0.62 -0.84 0.59 0.00 -4.06 0.00 0.00 30.24 26.56 2rpa n GLN 4 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2rpa h MET 5 N -0.43 0.23 0.35 3.69 2.86 -1.91 0.44 114.93 120.15 2rpa h MET 5 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2rpa h MET 5 Cb 0.43 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2rpa h MET 5 CO 0.00 0.15 -0.17 0.82 1.06 0.00 0.00 176.91 178.77 2rpa h ILE 6 N 0.23 0.00 -0.14 -1.22 5.03 -1.93 0.46 117.51 119.95 2rpa h ILE 6 Ca 0.38 -0.05 -0.04 0.00 -0.12 0.00 0.00 64.86 65.04 2rpa h ILE 6 Cb 1.14 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 2rpa h ILE 6 CO -0.08 0.00 -0.09 -0.37 -0.68 0.00 0.00 178.15 176.93 2rpa h VAL 7 N -0.51 1.15 -0.24 1.67 -1.51 -1.68 -2.73 116.25 112.39 2rpa h VAL 7 Ca -0.05 -0.64 -0.10 0.00 -1.23 0.00 0.00 66.70 64.69 2rpa h VAL 7 Cb 0.36 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2rpa h VAL 7 CO 0.08 0.20 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.05 2rpa h GLU 8 N 0.20 0.59 -0.89 5.19 5.08 -0.11 -3.08 114.58 121.56 2rpa h GLU 8 Ca 0.04 -0.31 0.16 0.00 -1.00 0.00 0.00 59.36 58.25 2rpa h GLU 8 Cb 0.29 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 2rpa h GLU 8 CO 0.02 0.91 0.57 -0.91 -1.00 0.00 0.00 179.01 178.60 2rpa h ASN 9 N 0.29 0.58 -0.50 1.42 -0.26 0.25 -1.09 115.58 116.27 2rpa h ASN 9 Ca 0.04 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.89 2rpa h ASN 9 Cb 0.80 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.93 2rpa h ASN 9 CO 0.06 0.27 0.18 0.58 -1.06 0.00 0.00 177.43 177.46 2rpa h VAL 10 N 0.60 0.83 -0.68 2.81 2.07 -1.45 0.18 116.25 120.60 2rpa h VAL 10 Ca 0.45 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 2rpa h VAL 10 Cb 0.85 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2rpa h VAL 10 CO -0.20 0.06 0.37 0.11 0.02 0.00 0.00 177.57 177.93 2rpa h LYS 11 N 0.35 0.94 -0.28 1.57 1.79 -1.29 0.77 116.57 120.43 2rpa h LYS 11 Ca 0.24 -0.10 -0.17 0.00 -2.18 0.00 0.00 60.65 58.44 2rpa h LYS 11 Cb 0.26 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2rpa h LYS 11 CO -0.25 0.69 -0.48 1.25 -1.08 0.00 0.00 179.45 179.58 2rpa h LEU 12 N 0.95 0.91 0.00 2.94 7.12 -1.05 -2.76 115.31 123.42 2rpa h LEU 12 Ca 0.24 -0.53 -0.00 0.00 0.13 0.00 0.00 57.88 57.73 2rpa h LEU 12 Cb 0.03 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 2rpa h LEU 12 CO -0.04 1.26 -0.00 0.00 -0.13 0.00 0.00 178.44 179.53 2rpa h ALA 13 N 0.67 -0.00 -0.73 1.25 0.00 -0.29 -2.65 119.26 117.51 2rpa h ALA 13 Ca 0.02 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2rpa h ALA 13 Cb 1.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2rpa h ALA 13 CO 0.11 -0.32 0.49 -0.09 0.00 0.00 0.00 179.25 179.44 2rpa h ARG 14 N -0.36 0.44 -0.24 0.00 2.43 -0.92 0.28 114.38 116.01 2rpa h ARG 14 Ca -0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2rpa h ARG 14 Cb 0.36 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2rpa h ARG 14 CO 0.00 0.29 -0.40 1.49 -1.51 0.00 0.00 179.97 179.84 2rpa h GLU 15 N 0.45 0.57 -0.04 0.20 4.81 -1.35 -2.94 114.58 116.29 2rpa h GLU 15 Ca 0.35 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2rpa h GLU 15 Cb 0.74 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2rpa h GLU 15 CO -0.11 0.88 -0.54 1.88 -0.73 0.00 0.00 179.01 180.39 2rpa h TYR 16 N 0.47 0.13 -0.44 0.92 -1.99 -0.62 -2.53 116.97 112.91 2rpa h TYR 16 Ca 0.04 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 2rpa h TYR 16 Cb 0.91 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 2rpa h TYR 16 CO 0.04 0.62 -0.05 0.00 -0.00 0.00 0.00 178.16 178.77 2rpa h ALA 17 N 1.37 1.09 0.10 3.88 0.00 -1.13 0.35 119.26 124.94 2rpa h ALA 17 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2rpa h ALA 17 Cb 0.97 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rpa h ALA 17 CO 0.08 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.77 2rpa h LEU 18 N 0.69 -0.12 -1.46 0.00 3.38 -1.42 -3.24 115.31 113.14 2rpa h LEU 18 Ca 0.13 -0.46 0.30 0.00 0.09 0.00 0.00 57.88 57.94 2rpa h LEU 18 Cb 0.49 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 2rpa h LEU 18 CO 0.03 0.49 0.72 -0.07 0.09 0.00 0.00 178.44 179.70 2rpa h LEU 19 N -0.83 0.35 0.00 1.67 4.07 -1.46 -3.44 115.31 115.67 2rpa h LEU 19 Ca -0.01 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2rpa h LEU 19 Cb 0.57 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2rpa h LEU 19 CO 0.02 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 2rpa n GLY 20 N -1.52 0.91 3.42 0.83 0.00 -1.01 -5.08 105.19 102.74 2rpa n GLY 20 Ca 0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.20 6.75 -0.04 1.61 3.04 0.12 -4.82 114.94 121.41 2rpa s ASN 21 Ca 0.00 -2.40 -0.17 0.00 0.04 0.00 0.00 52.86 50.33 2rpa s ASN 21 Cb 0.00 -2.34 -0.32 0.00 -1.54 0.00 0.00 41.25 37.05 2rpa s ASN 21 CO 0.00 -0.86 0.80 1.88 -3.04 0.00 0.00 177.10 175.88 2rpa h TYR 22 N 8.25 0.69 -0.97 0.43 -1.99 -1.81 -3.03 116.97 118.54 2rpa h TYR 22 Ca 0.17 -0.50 0.22 0.00 2.00 0.00 0.00 58.73 60.61 2rpa h TYR 22 Cb 1.00 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 39.62 2rpa h TYR 22 CO 1.11 1.51 0.62 0.22 -0.00 0.00 0.00 178.16 181.62 2rpa h ASP 23 N -0.12 0.51 0.62 3.88 3.58 -1.93 0.47 116.42 123.44 2rpa h ASP 23 Ca -0.25 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 2rpa h ASP 23 Cb 1.91 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.92 2rpa h ASP 23 CO 0.17 0.17 -0.42 -1.28 -2.88 0.00 0.00 179.24 175.01 2rpa h SER 24 N 0.49 0.00 0.30 2.28 0.87 -1.94 -2.94 113.55 112.61 2rpa h SER 24 Ca 0.53 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.91 2rpa h SER 24 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2rpa h SER 24 CO -0.25 0.42 -0.73 0.00 -0.53 0.00 0.00 176.83 175.74 2rpa h ALA 25 N 1.58 0.61 0.40 6.23 0.00 -0.16 -3.14 119.26 124.78 2rpa h ALA 25 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2rpa h ALA 25 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2rpa h ALA 25 CO 0.05 0.77 -0.19 0.52 0.00 0.00 0.00 179.25 180.41 2rpa h MET 26 N 0.25 -0.51 -0.89 0.00 2.07 -1.20 0.24 114.93 114.89 2rpa h MET 26 Ca -0.03 0.03 0.15 0.00 -2.07 0.00 0.00 59.70 57.79 2rpa h MET 26 Cb 1.30 0.12 -0.10 0.00 -1.87 0.00 0.00 31.60 31.05 2rpa h MET 26 CO 0.12 -0.29 0.48 -0.39 1.07 0.00 0.00 176.91 177.90 2rpa h VAL 27 N -0.62 0.73 -0.05 -2.22 -1.51 -1.62 0.10 116.25 111.07 2rpa h VAL 27 Ca -0.05 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.16 2rpa h VAL 27 Cb 0.46 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 2rpa h VAL 27 CO 0.09 0.12 -0.08 1.88 -1.23 0.00 0.00 177.57 178.35 2rpa h TYR 28 N 0.67 0.17 0.09 5.19 -1.99 -1.46 -3.02 116.97 116.61 2rpa h TYR 28 Ca 0.49 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 61.18 2rpa h TYR 28 Cb 0.70 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.36 2rpa h TYR 28 CO -0.07 0.65 -0.27 1.88 -0.00 0.00 0.00 178.16 180.35 2rpa h TYR 29 N -0.36 -0.73 -0.93 4.88 0.05 0.22 -0.70 116.97 119.39 2rpa h TYR 29 Ca 0.00 0.02 0.23 0.00 0.05 0.00 0.00 58.73 59.04 2rpa h TYR 29 Cb 0.64 0.31 -0.06 0.00 1.01 0.00 0.00 36.73 38.63 2rpa h TYR 29 CO 0.11 -0.37 0.63 0.37 -1.05 0.00 0.00 178.16 177.85 2rpa h GLN 30 N -0.46 0.27 -0.07 4.88 5.75 -0.91 -0.92 115.11 123.65 2rpa h GLN 30 Ca 0.04 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.42 2rpa h GLN 30 Cb 0.51 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2rpa h GLN 30 CO -0.18 0.18 -0.35 0.78 -2.65 0.00 0.00 178.83 176.61 2rpa h GLY 31 N 0.28 0.40 0.11 2.39 0.00 -1.09 -3.07 103.07 102.09 2rpa h GLY 31 Ca 0.48 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2rpa h GLY 31 CO -0.15 0.50 -0.49 -2.08 0.00 0.00 0.00 176.54 174.33 2rpa h VAL 32 N -0.13 0.06 -1.00 4.60 2.07 0.22 0.28 116.25 122.35 2rpa h VAL 32 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.67 2rpa h VAL 32 Cb 1.01 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 2rpa h VAL 32 CO 0.07 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.20 2rpa h LEU 33 N -0.67 0.81 -0.21 2.57 3.38 -1.59 0.35 115.31 119.94 2rpa h LEU 33 Ca 0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2rpa h LEU 33 Cb 0.71 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2rpa h LEU 33 CO -0.31 0.31 0.00 0.44 0.09 0.00 0.00 178.44 178.97 2rpa h ASP 34 N 0.80 0.37 -0.39 -0.43 5.19 -1.14 -2.72 116.42 118.10 2rpa h ASP 34 Ca 0.56 -0.31 -0.08 0.00 -0.62 0.00 0.00 57.03 56.59 2rpa h ASP 34 Cb 0.82 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2rpa h ASP 34 CO -0.36 0.59 -0.03 1.56 -3.12 0.00 0.00 179.24 177.87 2rpa h GLN 35 N 0.14 0.80 0.02 3.56 1.08 0.88 -2.93 115.11 118.66 2rpa h GLN 35 Ca 0.06 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2rpa h GLN 35 Cb 0.40 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2rpa h GLN 35 CO 0.01 0.83 -0.13 0.52 -0.95 0.00 0.00 178.83 179.11 2rpa h MET 36 N 0.74 -0.21 -0.51 1.46 2.86 -0.27 -2.52 114.93 116.47 2rpa h MET 36 Ca 0.14 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.87 2rpa h MET 36 Cb 0.49 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 2rpa h MET 36 CO 0.02 -0.14 0.17 -0.91 1.06 0.00 0.00 176.91 177.12 2rpa h ASN 37 N -0.22 0.16 -0.99 1.22 2.35 -1.40 -1.09 115.58 115.61 2rpa h ASN 37 Ca 0.04 0.07 0.18 0.00 -0.55 0.00 0.00 56.30 56.04 2rpa h ASN 37 Cb 0.27 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.60 2rpa h ASN 37 CO -0.11 0.12 0.62 0.11 -1.65 0.00 0.00 177.43 176.51 2rpa h LYS 38 N 0.35 0.74 0.09 0.81 1.57 -1.29 0.18 116.57 119.02 2rpa h LYS 38 Ca 0.25 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2rpa h LYS 38 Cb 0.28 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2rpa h LYS 38 CO -0.26 0.49 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.14 2rpa h TYR 39 N 0.76 -0.12 -0.28 -1.35 5.03 -0.81 -2.45 116.97 117.76 2rpa h TYR 39 Ca 0.55 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.85 2rpa h TYR 39 Cb 0.86 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 2rpa h TYR 39 CO -0.00 0.19 0.12 -0.07 -1.32 0.00 0.00 178.16 177.07 2rpa h LEU 40 N -0.42 0.34 -0.22 2.82 3.38 -0.80 0.03 115.31 120.45 2rpa h LEU 40 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2rpa h LEU 40 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2rpa h LEU 40 CO 0.02 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.86 2rpa n TYR 41 N -4.43 0.46 -0.01 1.13 4.19 0.54 -2.72 117.16 116.31 2rpa n TYR 41 Ca 0.01 0.16 0.06 0.00 3.31 0.00 0.00 57.90 61.44 2rpa n TYR 41 Cb 0.12 -0.76 -0.14 0.00 0.49 0.00 0.00 39.34 39.05 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 -1.90 0.15 -4.79 2.98 2.88 -0.08 -4.93 113.62 107.93 2rpa n SER 42 Ca 0.04 0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.29 2rpa n SER 42 Cb 0.28 1.48 -0.07 0.00 -0.75 0.00 0.00 64.21 65.15 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 -3.23 4.93 -0.10 2.46 0.11 -0.71 -5.00 120.40 118.86 2rpa s VAL 43 Ca -0.07 -0.07 0.21 0.00 -2.93 0.00 0.00 61.98 59.11 2rpa s VAL 43 Cb 0.11 -3.14 -0.31 0.00 -1.53 0.00 0.00 36.38 31.51 2rpa s VAL 43 CO 0.87 0.56 0.49 0.29 -3.33 0.00 0.00 175.10 173.98 2rpa n LYS 44 N 1.88 0.61 -1.51 1.54 5.02 -1.26 -4.85 118.16 119.58 2rpa n LYS 44 Ca -0.18 -0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 55.79 2rpa n LYS 44 Cb 0.54 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rpa n ASP 45 N -2.16 0.69 -0.35 4.39 9.92 -1.26 -4.76 116.55 123.01 2rpa n ASP 45 Ca -0.03 -1.45 -0.03 0.00 -0.53 0.00 0.00 54.79 52.75 2rpa n ASP 45 Cb 0.52 -1.34 0.01 0.00 -0.64 0.00 0.00 41.12 39.67 2rpa n ASP 45 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2rpa n THR 46 N 7.79 -0.51 -0.17 -3.53 -2.24 -1.26 0.22 114.28 114.59 2rpa n THR 46 Ca 0.47 2.13 0.14 0.00 -2.27 0.00 0.00 64.05 64.51 2rpa n THR 46 Cb 0.38 -2.77 0.48 0.00 -2.10 0.00 0.00 70.33 66.32 2rpa n THR 46 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2rpa h HIS 47 N 0.00 0.54 -0.19 4.78 3.86 -1.99 0.23 115.15 122.38 2rpa h HIS 47 Ca 0.28 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.32 2rpa h HIS 47 Cb 0.50 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2rpa h HIS 47 CO -0.82 0.22 -0.60 1.25 0.86 0.00 0.00 177.93 178.83 2rpa h LEU 48 N 0.48 0.72 0.04 2.43 6.46 0.23 -2.71 115.31 122.96 2rpa h LEU 48 Ca 0.36 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2rpa h LEU 48 Cb 0.74 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2rpa h LEU 48 CO -0.12 1.16 -0.02 0.03 -0.62 0.00 0.00 178.44 178.86 2rpa h ARG 49 N 0.47 -0.06 -0.70 1.25 3.08 0.86 -3.15 114.38 116.13 2rpa h ARG 49 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2rpa h ARG 49 Cb 1.18 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 2rpa h ARG 49 CO 0.12 0.53 0.48 -0.56 -1.07 0.00 0.00 179.97 179.47 2rpa h GLN 50 N -0.71 0.25 0.13 0.04 3.07 -0.72 0.30 115.11 117.48 2rpa h GLN 50 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2rpa h GLN 50 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2rpa h GLN 50 CO 0.01 0.17 -0.06 -0.22 0.09 0.00 0.00 178.83 178.81 2rpa h LYS 51 N 0.26 -0.17 -0.09 0.06 1.63 -1.48 -2.54 116.57 114.24 2rpa h LYS 51 Ca 0.34 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.99 2rpa h LYS 51 Cb 0.96 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2rpa h LYS 51 CO -0.08 -0.01 -0.65 -1.49 -3.45 0.00 0.00 179.45 173.77 2rpa h TRP 52 N -0.31 0.45 -0.40 1.91 -0.00 -1.27 -3.06 115.95 113.28 2rpa h TRP 52 Ca -0.02 -0.18 0.08 0.00 -0.00 0.00 0.00 58.89 58.77 2rpa h TRP 52 Cb 0.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.31 2rpa h TRP 52 CO -0.03 0.90 0.28 0.37 -0.00 0.00 0.00 178.44 179.96 2rpa h GLN 53 N 0.25 0.17 -0.28 0.49 4.15 -0.35 0.13 115.11 119.67 2rpa h GLN 53 Ca -0.01 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 2rpa h GLN 53 Cb 1.20 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2rpa h GLN 53 CO 0.11 0.11 -0.43 0.37 -1.93 0.00 0.00 178.83 177.05 2rpa h GLN 54 N 0.17 0.78 -0.06 1.69 5.75 -1.34 -3.19 115.11 118.90 2rpa h GLN 54 Ca 0.18 -0.47 -0.18 0.00 -0.15 0.00 0.00 58.65 58.03 2rpa h GLN 54 Cb 0.51 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 2rpa h GLN 54 CO -0.03 1.10 -0.73 0.28 -2.65 0.00 0.00 178.83 176.80 2rpa h VAL 55 N 0.53 1.40 -0.85 2.39 2.07 -1.30 -3.14 116.25 117.35 2rpa h VAL 55 Ca 0.02 -2.18 0.20 0.00 0.82 0.00 0.00 66.70 65.57 2rpa h VAL 55 Cb 1.03 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 2rpa h VAL 55 CO 0.10 0.65 0.57 -0.25 0.02 0.00 0.00 177.57 178.66 2rpa h TRP 56 N 0.23 0.38 -0.68 1.57 7.01 -0.79 0.14 115.95 123.83 2rpa h TRP 56 Ca -0.03 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2rpa h TRP 56 Cb 1.30 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 28.21 2rpa h TRP 56 CO 0.04 0.11 0.28 1.96 -2.79 0.00 0.00 178.44 178.04 2rpa h GLN 57 N 0.30 0.99 -0.01 2.65 4.20 -1.58 -2.36 115.11 119.29 2rpa h GLN 57 Ca 0.43 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.82 2rpa h GLN 57 Cb 1.21 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2rpa h GLN 57 CO -0.12 0.80 -0.72 0.93 -0.67 0.00 0.00 178.83 179.04 2rpa h GLU 58 N 0.97 0.09 -0.78 1.46 4.39 -0.88 -3.09 114.58 116.74 2rpa h GLU 58 Ca 0.23 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2rpa h GLU 58 Cb 0.17 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2rpa h GLU 58 CO -0.02 0.78 0.36 0.82 -1.16 0.00 0.00 179.01 179.79 2rpa h ILE 59 N 0.06 1.25 0.47 3.13 1.08 -0.87 0.59 117.51 123.22 2rpa h ILE 59 Ca -0.02 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 2rpa h ILE 59 Cb 1.28 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2rpa h ILE 59 CO 0.10 0.30 -0.23 -1.13 -0.69 0.00 0.00 178.15 176.51 2rpa h ASN 60 N 1.11 -0.53 -0.82 1.72 -1.24 -1.47 -2.57 115.58 111.78 2rpa h ASN 60 Ca 0.27 -0.08 0.06 0.00 0.71 0.00 0.00 56.30 57.25 2rpa h ASN 60 Cb 0.14 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.28 2rpa h ASN 60 CO -0.03 -0.19 0.54 1.62 -1.29 0.00 0.00 177.43 178.07 2rpa h VAL 61 N -0.91 1.07 -0.45 2.57 3.04 -1.50 -1.37 116.25 118.70 2rpa h VAL 61 Ca -0.06 -0.32 0.03 0.00 -1.01 0.00 0.00 66.70 65.34 2rpa h VAL 61 Cb 0.58 0.06 -0.04 0.00 -2.01 0.00 0.00 31.29 29.89 2rpa h VAL 61 CO 0.11 0.17 0.24 -0.08 -1.01 0.00 0.00 177.57 177.00 2rpa h GLU 62 N 0.93 0.47 -0.07 4.17 4.57 -0.82 -0.49 114.58 123.34 2rpa h GLU 62 Ca 0.34 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.38 2rpa h GLU 62 Cb 0.17 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2rpa h GLU 62 CO -0.12 0.31 -0.47 0.00 -1.18 0.00 0.00 179.01 177.55 2rpa h ALA 63 N 1.23 1.08 -0.54 2.92 0.00 -0.97 -3.06 119.26 119.91 2rpa h ALA 63 Ca 0.19 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2rpa h ALA 63 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2rpa h ALA 63 CO -0.12 0.63 -0.11 -0.22 0.00 0.00 0.00 179.25 179.43 2rpa h LYS 64 N 0.14 1.03 -0.73 0.00 3.11 -0.54 -3.03 116.57 116.54 2rpa h LYS 64 Ca 0.01 -0.39 0.09 0.00 -2.81 0.00 0.00 60.65 57.55 2rpa h LYS 64 Cb 0.89 -0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.99 2rpa h LYS 64 CO 0.07 1.07 0.37 1.96 -2.81 0.00 0.00 179.45 180.12 2rpa h GLN 65 N 0.90 0.62 -0.59 1.90 1.08 -1.01 -0.63 115.11 117.38 2rpa h GLN 65 Ca 0.14 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 2rpa h GLN 65 Cb 0.68 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2rpa h GLN 65 CO 0.05 0.41 0.39 0.28 -0.95 0.00 0.00 178.83 179.01 2rpa h VAL 66 N 0.63 1.05 -0.61 -0.54 2.07 -1.56 -1.17 116.25 116.13 2rpa h VAL 66 Ca 0.36 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.77 2rpa h VAL 66 Cb 0.36 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2rpa h VAL 66 CO -0.26 0.12 0.41 0.50 0.02 0.00 0.00 177.57 178.36 2rpa h LYS 67 N 0.66 0.32 0.00 1.57 3.64 -1.09 0.22 116.57 121.89 2rpa h LYS 67 Ca 0.24 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2rpa h LYS 67 Cb 0.14 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2rpa h LYS 67 CO -0.07 0.21 -0.01 0.22 -2.27 0.00 0.00 179.45 177.54 2rpa h ASP 68 N 0.33 0.00 -0.59 4.20 1.82 -1.22 -1.57 116.42 119.39 2rpa h ASP 68 Ca 0.29 -0.34 0.16 0.00 -0.39 0.00 0.00 57.03 56.74 2rpa h ASP 68 Cb 0.68 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 2rpa h ASP 68 CO -0.07 0.67 0.42 0.16 -1.61 0.00 0.00 179.24 178.81 2rpa h ILE 69 N -1.00 0.74 0.00 2.25 3.07 -1.22 0.26 117.51 121.60 2rpa h ILE 69 Ca -0.00 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.38 2rpa h ILE 69 Cb 0.35 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 2rpa h ILE 69 CO -0.00 0.02 -0.85 0.00 -1.05 0.00 0.00 178.15 176.27 2rpa h MET 70 N 0.09 0.00 -5.88 0.16 -0.00 -0.68 -3.46 114.93 105.16 2rpa h MET 70 Ca 0.28 0.00 -0.66 0.00 -0.00 0.00 0.00 59.70 59.33 2rpa h MET 70 Cb 1.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.52 2rpa h MET 70 CO -0.03 0.00 -0.54 0.21 -0.00 0.00 0.00 176.91 176.55 2rpa s LYS 71 N -3.27 3.23 0.00 -0.10 2.47 0.90 -5.05 119.74 117.91 2rpa s LYS 71 Ca 0.02 -0.37 0.16 0.00 -1.56 0.00 0.00 55.97 54.23 2rpa s LYS 71 Cb 0.11 -2.98 0.98 0.00 -1.46 0.00 0.00 37.83 34.48 2rpa s LYS 71 CO 0.76 0.69 1.39 0.25 0.16 0.00 0.00 175.35 178.60