#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 3.15 -0.70 6.43 1.47 -1.26 -5.09 116.67 120.67 2rpa s ASP -4 Ca 0.00 -0.97 -0.23 0.00 1.18 0.00 0.00 52.55 52.53 2rpa s ASP -4 Cb 0.00 -0.23 0.07 0.00 -0.34 0.00 0.00 42.92 42.42 2rpa s ASP -4 CO 0.00 -0.01 1.03 -1.00 0.68 0.00 0.00 175.17 175.87 2rpa s HIS -3 N -2.40 2.65 0.19 2.11 3.76 -1.26 -4.86 115.29 115.49 2rpa s HIS -3 Ca 0.24 -0.56 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 2rpa s HIS -3 Cb -0.05 -4.35 0.05 0.00 1.11 0.00 0.00 32.58 29.35 2rpa s HIS -3 CO 0.11 -1.70 1.42 0.00 -0.85 0.00 0.00 174.74 173.72 2rpa h MET -2 N 9.58 0.10 0.05 1.40 -0.00 -2.08 -3.36 114.93 120.62 2rpa h MET -2 Ca -0.24 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.35 2rpa h MET -2 Cb 1.06 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2rpa h MET -2 CO 1.20 0.87 -0.02 1.15 -0.00 0.00 0.00 176.91 180.10 2rpa h THR -1 N 0.06 0.00 -5.42 -0.10 2.02 -2.07 -3.48 112.91 103.91 2rpa h THR -1 Ca -0.02 -0.70 -0.34 0.00 0.77 0.00 0.00 66.41 66.12 2rpa h THR -1 Cb 1.44 0.00 0.14 0.00 -1.74 0.00 0.00 68.15 67.99 2rpa h THR -1 CO 0.12 0.00 -0.66 0.23 0.37 0.00 0.00 175.52 175.57 2rpa n MET 1 N -4.12 -6.81 0.32 6.66 2.81 -1.26 -4.93 117.12 109.79 2rpa n MET 1 Ca -0.01 0.77 -0.18 0.00 -1.81 0.00 0.00 57.70 56.47 2rpa n MET 1 Cb 0.03 -5.62 -0.09 0.00 -0.71 0.00 0.00 33.22 26.83 2rpa n MET 1 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2rpa h SER 2 N -2.16 -1.25 -0.28 7.83 0.02 -1.95 -3.32 113.55 112.44 2rpa h SER 2 Ca -0.53 0.09 -0.23 0.00 -0.84 0.00 0.00 61.79 60.28 2rpa h SER 2 Cb 1.33 0.40 -0.26 0.00 0.14 0.00 0.00 62.40 64.01 2rpa h SER 2 CO 0.49 -0.65 -0.79 -0.11 -1.14 0.00 0.00 176.83 174.63 2rpa n LEU 3 N -5.56 2.84 -0.04 5.07 7.94 -1.26 -4.84 117.00 121.14 2rpa n LEU 3 Ca -0.12 -3.64 -0.03 0.00 -1.11 0.00 0.00 56.01 51.11 2rpa n LEU 3 Cb 0.45 -0.22 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 2rpa n LEU 3 CO 0.29 1.37 -0.20 0.00 -1.11 0.00 0.00 177.39 177.75 2rpa n GLN 4 N -0.61 0.26 0.27 1.96 3.00 -1.25 -3.40 117.38 117.61 2rpa n GLN 4 Ca 0.22 0.40 0.07 0.00 -0.01 0.00 0.00 57.00 57.68 2rpa n GLN 4 Cb 0.88 -1.27 0.39 0.00 0.00 0.00 0.00 30.24 30.23 2rpa n GLN 4 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 2rpa h MET 5 N -0.57 0.00 0.00 -1.09 4.05 -1.89 0.46 114.93 115.90 2rpa h MET 5 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2rpa h MET 5 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2rpa h MET 5 CO 0.00 0.00 -0.08 0.82 0.23 0.00 0.00 176.91 177.88 2rpa h ILE 6 N 0.00 0.00 -0.77 1.77 1.08 -1.91 -3.30 117.51 114.39 2rpa h ILE 6 Ca 0.00 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2rpa h ILE 6 Cb 1.08 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 2rpa h ILE 6 CO 0.00 0.00 0.39 -0.37 -0.69 0.00 0.00 178.15 177.48 2rpa h VAL 7 N -0.42 1.24 -0.90 1.67 -1.51 -1.35 -2.56 116.25 112.41 2rpa h VAL 7 Ca 0.00 -0.63 0.15 0.00 -1.23 0.00 0.00 66.70 64.99 2rpa h VAL 7 Cb 0.08 0.23 -0.09 0.00 -2.13 0.00 0.00 31.29 29.37 2rpa h VAL 7 CO 0.00 0.27 0.50 -0.33 -1.23 0.00 0.00 177.57 176.79 2rpa h GLU 8 N 1.08 0.69 -0.79 5.19 4.39 -0.30 0.10 114.58 124.94 2rpa h GLU 8 Ca 0.27 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.10 2rpa h GLU 8 Cb 0.07 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 2rpa h GLU 8 CO -0.04 0.46 0.53 -0.91 -1.16 0.00 0.00 179.01 177.89 2rpa h ASN 9 N 0.71 0.34 -0.83 1.42 -0.26 -1.53 -0.35 115.58 115.08 2rpa h ASN 9 Ca 0.49 0.03 0.08 0.00 -0.56 0.00 0.00 56.30 56.33 2rpa h ASN 9 Cb 0.66 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.82 2rpa h ASN 9 CO -0.35 0.16 0.50 0.58 -1.06 0.00 0.00 177.43 177.26 2rpa h VAL 10 N 0.35 0.97 -0.37 2.81 2.07 -0.88 -0.70 116.25 120.50 2rpa h VAL 10 Ca 0.40 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2rpa h VAL 10 Cb 1.02 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2rpa h VAL 10 CO -0.12 0.16 0.10 0.11 0.02 0.00 0.00 177.57 177.83 2rpa h LYS 11 N 0.87 0.54 -0.27 1.57 1.79 -1.13 0.21 116.57 120.15 2rpa h LYS 11 Ca 0.39 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 58.60 2rpa h LYS 11 Cb 0.28 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2rpa h LYS 11 CO -0.21 0.49 -0.52 1.25 -1.08 0.00 0.00 179.45 179.38 2rpa h LEU 12 N 0.53 0.85 -0.03 2.94 7.12 -1.13 -2.80 115.31 122.79 2rpa h LEU 12 Ca 0.13 -0.44 -0.08 0.00 0.13 0.00 0.00 57.88 57.61 2rpa h LEU 12 Cb 0.19 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2rpa h LEU 12 CO -0.00 1.21 -0.29 0.00 -0.13 0.00 0.00 178.44 179.23 2rpa h ALA 13 N 0.81 0.07 -0.92 1.25 0.00 -0.81 -2.93 119.26 116.73 2rpa h ALA 13 Ca 0.02 -0.45 0.16 0.00 0.00 0.00 0.00 54.91 54.64 2rpa h ALA 13 Cb 1.10 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2rpa h ALA 13 CO 0.11 0.13 0.59 -0.09 0.00 0.00 0.00 179.25 179.99 2rpa h ARG 14 N -0.34 0.66 -0.18 0.00 2.43 -0.66 -1.16 114.38 115.13 2rpa h ARG 14 Ca -0.03 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2rpa h ARG 14 Cb 0.99 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2rpa h ARG 14 CO 0.06 0.44 -0.13 1.49 -1.51 0.00 0.00 179.97 180.32 2rpa h GLU 15 N 0.68 0.41 -0.64 0.20 4.57 -1.53 -3.06 114.58 115.21 2rpa h GLU 15 Ca 0.48 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.53 2rpa h GLU 15 Cb 0.81 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.36 2rpa h GLU 15 CO -0.23 0.74 0.43 1.88 -1.18 0.00 0.00 179.01 180.64 2rpa h TYR 16 N 0.08 0.61 -0.46 0.92 -1.99 -1.05 -0.62 116.97 114.46 2rpa h TYR 16 Ca 0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 2rpa h TYR 16 Cb 0.64 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2rpa h TYR 16 CO 0.07 0.31 0.17 0.00 -0.00 0.00 0.00 178.16 178.71 2rpa h ALA 17 N 1.66 1.44 0.06 3.88 0.00 -1.21 0.18 119.26 125.26 2rpa h ALA 17 Ca 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2rpa h ALA 17 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2rpa h ALA 17 CO -0.09 0.43 -0.03 -0.07 0.00 0.00 0.00 179.25 179.49 2rpa h LEU 18 N 0.65 -0.06 -0.92 0.00 3.38 -1.11 -3.28 115.31 113.96 2rpa h LEU 18 Ca 0.16 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.74 2rpa h LEU 18 Cb 0.16 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2rpa h LEU 18 CO -0.01 0.60 0.49 -0.07 0.09 0.00 0.00 178.44 179.54 2rpa h LEU 19 N -0.80 0.55 0.00 1.67 3.38 -1.28 -3.45 115.31 115.39 2rpa h LEU 19 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2rpa h LEU 19 Cb 0.64 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2rpa h LEU 19 CO 0.01 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2rpa n GLY 20 N -1.33 0.58 3.38 0.83 0.00 -0.81 -5.08 105.19 102.76 2rpa n GLY 20 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 1.61 3.04 0.56 -4.83 114.94 122.01 2rpa s ASN 21 Ca 0.00 -2.43 -0.11 0.00 0.04 0.00 0.00 52.86 50.36 2rpa s ASN 21 Cb 0.00 -2.29 -0.31 0.00 -1.54 0.00 0.00 41.25 37.10 2rpa s ASN 21 CO 0.00 -0.78 0.73 1.88 -3.04 0.00 0.00 177.10 175.89 2rpa h TYR 22 N 8.21 0.75 -1.00 0.43 -1.99 -1.82 -3.08 116.97 118.46 2rpa h TYR 22 Ca 0.13 -0.54 0.19 0.00 2.00 0.00 0.00 58.73 60.51 2rpa h TYR 22 Cb 1.03 -0.03 -0.11 0.00 2.00 0.00 0.00 36.73 39.62 2rpa h TYR 22 CO 1.09 1.64 0.61 0.22 -0.00 0.00 0.00 178.16 181.72 2rpa h ASP 23 N 0.11 0.78 0.45 3.88 3.58 -1.94 0.40 116.42 123.68 2rpa h ASP 23 Ca -0.32 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.16 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 0.19 0.27 -0.32 0.28 -2.88 0.00 0.00 179.24 176.78 2rpa h SER 24 N 0.76 0.00 0.42 2.28 0.02 -1.96 -2.73 113.55 112.34 2rpa h SER 24 Ca 0.58 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.34 2rpa h SER 24 Cb 0.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2rpa h SER 24 CO -0.39 0.32 -0.80 0.00 -1.14 0.00 0.00 176.83 174.82 2rpa h ALA 25 N 1.68 0.57 0.72 3.77 0.00 -0.36 -3.12 119.26 122.52 2rpa h ALA 25 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2rpa h ALA 25 Cb 0.63 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2rpa h ALA 25 CO 0.04 0.83 -0.35 0.52 0.00 0.00 0.00 179.25 180.29 2rpa h MET 26 N 0.18 -0.94 -0.93 0.00 2.07 -0.98 0.27 114.93 114.61 2rpa h MET 26 Ca -0.04 0.06 0.16 0.00 -2.07 0.00 0.00 59.70 57.81 2rpa h MET 26 Cb 1.40 0.21 -0.08 0.00 -1.87 0.00 0.00 31.60 31.26 2rpa h MET 26 CO 0.13 -0.62 0.59 -0.39 1.07 0.00 0.00 176.91 177.69 2rpa h VAL 27 N -0.99 0.79 0.07 -2.22 -1.51 -1.64 0.09 116.25 110.85 2rpa h VAL 27 Ca -0.10 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2rpa h VAL 27 Cb 0.75 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2rpa h VAL 27 CO 0.16 0.13 -0.03 1.88 -1.23 0.00 0.00 177.57 178.48 2rpa h TYR 28 N 0.69 -0.09 0.12 5.19 -1.99 -1.43 -2.84 116.97 116.63 2rpa h TYR 28 Ca 0.48 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.23 2rpa h TYR 28 Cb 0.81 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.53 2rpa h TYR 28 CO -0.00 0.42 -0.31 1.88 -0.00 0.00 0.00 178.16 180.15 2rpa h TYR 29 N -0.66 -0.84 -1.00 4.88 0.05 0.18 -1.15 116.97 118.43 2rpa h TYR 29 Ca -0.01 0.02 0.20 0.00 0.05 0.00 0.00 58.73 58.99 2rpa h TYR 29 Cb 0.55 0.35 -0.10 0.00 1.01 0.00 0.00 36.73 38.54 2rpa h TYR 29 CO 0.10 -0.42 0.62 0.37 -1.05 0.00 0.00 178.16 177.78 2rpa h GLN 30 N -0.53 0.66 -0.52 4.88 5.75 -1.10 -0.11 115.11 124.14 2rpa h GLN 30 Ca 0.03 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2rpa h GLN 30 Cb 0.56 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2rpa h GLN 30 CO -0.18 0.43 -0.04 0.78 -2.65 0.00 0.00 178.83 177.17 2rpa h GLY 31 N 0.68 1.03 0.97 2.39 0.00 -1.05 -2.22 103.07 104.87 2rpa h GLY 31 Ca 0.57 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2rpa h GLY 31 CO -0.36 0.72 0.22 -2.08 0.00 0.00 0.00 176.54 175.05 2rpa h VAL 32 N 0.82 1.13 -0.56 4.60 2.07 0.12 0.13 116.25 124.56 2rpa h VAL 32 Ca 0.14 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2rpa h VAL 32 Cb 0.59 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2rpa h VAL 32 CO 0.04 0.14 0.28 -0.07 0.02 0.00 0.00 177.57 177.98 2rpa h LEU 33 N 0.49 0.73 -0.09 2.57 -0.00 -1.31 0.19 115.31 117.88 2rpa h LEU 33 Ca 0.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2rpa h LEU 33 Cb 0.03 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 2rpa h LEU 33 CO -0.02 0.64 0.03 0.44 -0.00 0.00 0.00 178.44 179.53 2rpa h ASP 34 N 0.76 0.13 -0.62 -0.43 3.32 -1.15 -2.19 116.42 116.24 2rpa h ASP 34 Ca 0.20 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2rpa h ASP 34 Cb 0.09 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2rpa h ASP 34 CO -0.03 0.28 0.16 1.56 -1.72 0.00 0.00 179.24 179.50 2rpa h GLN 35 N -0.03 1.01 -0.03 3.56 1.08 -0.83 -2.84 115.11 117.03 2rpa h GLN 35 Ca 0.03 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.02 2rpa h GLN 35 Cb 0.19 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2rpa h GLN 35 CO -0.00 0.90 -0.06 0.52 -0.95 0.00 0.00 178.83 179.24 2rpa h MET 36 N 0.97 -0.08 -0.47 1.46 2.86 -0.48 -2.67 114.93 116.52 2rpa h MET 36 Ca 0.21 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 2rpa h MET 36 Cb 0.34 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2rpa h MET 36 CO -0.00 -0.05 0.10 -0.91 1.06 0.00 0.00 176.91 177.11 2rpa h ASN 37 N -0.08 0.03 -0.94 1.22 2.35 -1.26 -0.50 115.58 116.39 2rpa h ASN 37 Ca 0.04 0.08 0.20 0.00 -0.55 0.00 0.00 56.30 56.06 2rpa h ASN 37 Cb 0.13 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.53 2rpa h ASN 37 CO -0.08 0.05 0.61 0.11 -1.65 0.00 0.00 177.43 176.46 2rpa h LYS 38 N 0.24 0.50 -0.22 0.81 1.57 -1.25 0.27 116.57 118.49 2rpa h LYS 38 Ca 0.23 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 2rpa h LYS 38 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2rpa h LYS 38 CO -0.29 0.33 -0.49 -0.92 -0.57 0.00 0.00 179.45 177.51 2rpa h TYR 39 N 0.52 0.92 -0.31 -1.35 5.03 -0.81 -2.60 116.97 118.36 2rpa h TYR 39 Ca 0.50 -0.34 -0.12 0.00 2.58 0.00 0.00 58.73 61.35 2rpa h TYR 39 Cb 1.09 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 2rpa h TYR 39 CO -0.00 1.13 -0.28 -0.07 -1.32 0.00 0.00 178.16 177.62 2rpa h LEU 40 N 0.44 0.66 -1.31 2.82 3.38 -0.28 -2.58 115.31 118.45 2rpa h LEU 40 Ca 0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2rpa h LEU 40 Cb 1.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2rpa h LEU 40 CO 0.11 0.91 -0.18 0.22 0.09 0.00 0.00 178.44 179.59 2rpa h TYR 41 N 0.56 0.00 0.11 1.13 5.03 -0.55 -2.94 116.97 120.31 2rpa h TYR 41 Ca 0.07 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 61.11 2rpa h TYR 41 Cb 0.77 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.06 2rpa h TYR 41 CO 0.03 0.18 -1.19 1.03 -1.32 0.00 0.00 178.16 176.90 2rpa h SER 42 N 0.00 0.57 -3.77 -2.11 0.87 -1.08 -3.45 113.55 104.58 2rpa h SER 42 Ca -0.00 -0.55 -0.49 0.00 -1.23 0.00 0.00 61.79 59.52 2rpa h SER 42 Cb 0.64 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2rpa h SER 42 CO 0.02 1.40 0.13 0.54 -0.53 0.00 0.00 176.83 178.39 2rpa s VAL 43 N -2.87 4.66 -0.16 2.23 0.11 -1.02 -5.01 120.40 118.35 2rpa s VAL 43 Ca -0.06 0.96 -0.00 0.00 -2.93 0.00 0.00 61.98 59.96 2rpa s VAL 43 Cb 0.07 -3.62 -0.10 0.00 -1.53 0.00 0.00 36.38 31.19 2rpa s VAL 43 CO 0.89 -0.25 -0.15 0.29 -3.33 0.00 0.00 175.10 172.55 2rpa n LYS 44 N -0.53 0.40 -1.39 1.54 4.76 -1.26 -4.91 118.16 116.76 2rpa n LYS 44 Ca 0.04 0.10 -0.50 0.00 -2.87 0.00 0.00 58.31 55.08 2rpa n LYS 44 Cb 0.53 -1.30 -0.12 0.00 -1.84 0.00 0.00 35.03 32.31 2rpa n LYS 44 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2rpa n ASP 45 N -3.08 0.95 -0.34 4.39 2.03 -1.26 -4.76 116.55 114.48 2rpa n ASP 45 Ca -0.29 0.37 0.12 0.00 0.52 0.00 0.00 54.79 55.50 2rpa n ASP 45 Cb 0.80 -1.02 0.31 0.00 -0.72 0.00 0.00 41.12 40.48 2rpa n ASP 45 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rpa h THR 46 N 7.42 0.68 -0.95 5.18 1.03 -1.99 0.12 112.91 124.40 2rpa h THR 46 Ca -0.12 -0.24 0.06 0.00 -0.01 0.00 0.00 66.41 66.10 2rpa h THR 46 Cb 1.35 -0.08 -0.06 0.00 -1.07 0.00 0.00 68.15 68.29 2rpa h THR 46 CO 1.19 0.13 0.62 -0.74 -0.01 0.00 0.00 175.52 176.70 2rpa h HIS 47 N 0.70 1.12 0.03 0.00 6.17 -1.99 0.22 115.15 121.40 2rpa h HIS 47 Ca 0.56 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.67 2rpa h HIS 47 Cb 0.89 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.45 2rpa h HIS 47 CO -0.03 0.59 -0.01 1.25 0.71 0.00 0.00 177.93 180.44 2rpa h LEU 48 N 1.11 -0.03 -0.01 0.26 6.46 -1.14 -2.22 115.31 119.74 2rpa h LEU 48 Ca 0.41 -0.38 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2rpa h LEU 48 Cb 0.17 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2rpa h LEU 48 CO -0.15 0.37 0.01 0.03 -0.62 0.00 0.00 178.44 178.07 2rpa h ARG 49 N -0.43 0.01 -0.53 1.25 3.08 -1.03 -2.55 114.38 114.18 2rpa h ARG 49 Ca -0.00 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2rpa h ARG 49 Cb 0.41 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 2rpa h ARG 49 CO 0.01 0.05 0.11 0.37 -1.07 0.00 0.00 179.97 179.44 2rpa h GLN 50 N -0.03 0.25 -0.10 0.04 5.75 -0.63 0.46 115.11 120.84 2rpa h GLN 50 Ca 0.00 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2rpa h GLN 50 Cb 0.04 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2rpa h GLN 50 CO -0.00 0.16 -0.20 -0.22 -2.65 0.00 0.00 178.83 175.92 2rpa h LYS 51 N 0.25 -0.26 -0.20 1.69 3.64 -1.18 -1.65 116.57 118.86 2rpa h LYS 51 Ca 0.27 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2rpa h LYS 51 Cb 0.36 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2rpa h LYS 51 CO -0.34 -0.17 -0.26 -1.49 -2.27 0.00 0.00 179.45 174.92 2rpa h TRP 52 N -0.27 0.41 -0.80 1.91 -0.00 -0.99 -2.94 115.95 113.28 2rpa h TRP 52 Ca 0.09 -0.08 0.09 0.00 -0.00 0.00 0.00 58.89 58.99 2rpa h TRP 52 Cb 0.40 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.16 29.38 2rpa h TRP 52 CO -0.29 0.60 0.45 0.37 -0.00 0.00 0.00 178.44 179.57 2rpa h GLN 53 N 0.33 0.73 -0.86 0.49 4.15 0.80 0.31 115.11 121.07 2rpa h GLN 53 Ca 0.05 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2rpa h GLN 53 Cb 0.63 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2rpa h GLN 53 CO 0.05 0.49 0.57 0.37 -1.93 0.00 0.00 178.83 178.37 2rpa h GLN 54 N 0.76 1.13 -0.11 1.69 4.15 -1.21 -2.35 115.11 119.17 2rpa h GLN 54 Ca 0.39 -0.07 -0.23 0.00 0.77 0.00 0.00 58.65 59.51 2rpa h GLN 54 Cb 0.37 -0.26 0.01 0.00 0.21 0.00 0.00 27.48 27.81 2rpa h GLN 54 CO -0.25 0.75 -0.83 0.28 -1.93 0.00 0.00 178.83 176.85 2rpa h VAL 55 N 1.17 1.30 -1.00 2.39 2.07 -1.30 -3.21 116.25 117.66 2rpa h VAL 55 Ca 0.32 -2.07 0.12 0.00 0.82 0.00 0.00 66.70 65.88 2rpa h VAL 55 Cb -0.13 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2rpa h VAL 55 CO -0.07 0.65 0.63 -0.25 0.02 0.00 0.00 177.57 178.55 2rpa h TRP 56 N 0.46 1.14 -0.81 1.57 7.01 -0.08 -0.74 115.95 124.50 2rpa h TRP 56 Ca -0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2rpa h TRP 56 Cb 1.46 -0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 28.11 2rpa h TRP 56 CO 0.08 0.46 0.46 1.96 -2.79 0.00 0.00 178.44 178.61 2rpa h GLN 57 N 1.00 1.12 0.07 2.65 4.20 -1.44 -0.51 115.11 122.20 2rpa h GLN 57 Ca 0.49 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 2rpa h GLN 57 Cb 0.48 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2rpa h GLN 57 CO -0.26 0.82 -0.03 0.93 -0.67 0.00 0.00 178.83 179.62 2rpa h GLU 58 N 1.13 -0.09 -0.32 1.46 5.08 -1.24 -2.25 114.58 118.36 2rpa h GLU 58 Ca 0.29 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2rpa h GLU 58 Cb 0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2rpa h GLU 58 CO -0.05 0.26 0.06 0.82 -1.00 0.00 0.00 179.01 179.10 2rpa h ILE 59 N -0.44 0.85 -0.81 3.13 2.04 -1.08 0.27 117.51 121.46 2rpa h ILE 59 Ca -0.01 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2rpa h ILE 59 Cb 0.39 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2rpa h ILE 59 CO 0.02 0.03 0.49 -1.13 0.00 0.00 0.00 178.15 177.56 2rpa h ASN 60 N 0.18 0.77 -0.29 1.72 -1.24 -1.11 -2.24 115.58 113.36 2rpa h ASN 60 Ca 0.15 0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 2rpa h ASN 60 Cb 0.16 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 2rpa h ASN 60 CO -0.19 0.49 -0.30 0.58 -1.29 0.00 0.00 177.43 176.72 2rpa h VAL 61 N 0.90 1.30 -0.37 2.57 2.07 -0.75 -3.10 116.25 118.87 2rpa h VAL 61 Ca 0.36 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.49 2rpa h VAL 61 Cb 0.18 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 2rpa h VAL 61 CO -0.18 0.47 -0.15 -0.08 0.02 0.00 0.00 177.57 177.65 2rpa h GLU 62 N 0.46 -0.08 -0.91 1.57 4.57 0.05 -0.87 114.58 119.37 2rpa h GLU 62 Ca 0.04 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 2rpa h GLU 62 Cb 0.87 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.41 2rpa h GLU 62 CO 0.07 -0.05 0.56 0.00 -1.18 0.00 0.00 179.01 178.41 2rpa h ALA 63 N 1.22 1.29 -0.63 2.92 0.00 -1.44 -1.95 119.26 120.67 2rpa h ALA 63 Ca 0.18 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2rpa h ALA 63 Cb 0.36 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2rpa h ALA 63 CO -0.42 0.25 0.19 -0.22 0.00 0.00 0.00 179.25 179.04 2rpa h LYS 64 N 0.97 0.32 0.39 0.00 3.64 -1.08 -2.07 116.57 118.74 2rpa h LYS 64 Ca 0.42 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2rpa h LYS 64 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2rpa h LYS 64 CO -0.21 0.21 -0.30 1.96 -2.27 0.00 0.00 179.45 178.84 2rpa h GLN 65 N 0.33 -0.66 -1.06 1.90 4.20 -1.05 -1.98 115.11 116.78 2rpa h GLN 65 Ca 0.33 0.05 0.28 0.00 0.06 0.00 0.00 58.65 59.37 2rpa h GLN 65 Cb 0.48 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 2rpa h GLN 65 CO -0.38 -0.44 0.71 0.28 -0.67 0.00 0.00 178.83 178.33 2rpa h VAL 66 N -0.69 0.50 -0.09 -0.54 2.07 -1.26 0.68 116.25 116.92 2rpa h VAL 66 Ca -0.03 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 2rpa h VAL 66 Cb 0.59 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2rpa h VAL 66 CO -0.00 0.05 -0.49 0.50 0.02 0.00 0.00 177.57 177.65 2rpa h LYS 67 N 0.29 0.23 0.02 1.57 3.64 -0.71 -2.14 116.57 119.47 2rpa h LYS 67 Ca 0.58 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 2rpa h LYS 67 Cb 1.68 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 2rpa h LYS 67 CO -0.22 0.67 -0.21 0.22 -2.27 0.00 0.00 179.45 177.64 2rpa h ASP 68 N 0.19 0.16 -0.70 4.20 1.82 0.83 -3.30 116.42 119.61 2rpa h ASP 68 Ca 0.01 -0.86 0.04 0.00 -0.39 0.00 0.00 57.03 55.83 2rpa h ASP 68 Cb 0.94 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 2rpa h ASP 68 CO 0.08 1.00 0.46 0.16 -1.61 0.00 0.00 179.24 179.33 2rpa h ILE 69 N -0.66 1.10 -3.98 2.25 3.07 -0.95 -3.42 117.51 114.92 2rpa h ILE 69 Ca -0.03 -0.29 -0.50 0.00 1.55 0.00 0.00 64.86 65.59 2rpa h ILE 69 Cb 1.04 0.19 0.06 0.00 -0.27 0.00 0.00 36.82 37.83 2rpa h ILE 69 CO 0.04 0.15 0.48 0.00 -1.05 0.00 0.00 178.15 177.78 2rpa s MET 70 N -5.73 3.88 -0.06 0.16 0.23 -0.80 -5.05 119.30 111.94 2rpa s MET 70 Ca -0.10 1.77 0.04 0.00 -1.03 0.00 0.00 55.69 56.37 2rpa s MET 70 Cb 0.19 -2.50 -0.00 0.00 -1.53 0.00 0.00 34.83 30.99 2rpa s MET 70 CO 0.77 -0.45 -0.19 0.21 -2.03 0.00 0.00 175.02 173.33 2rpa s LYS 71 N -2.57 2.11 0.00 3.16 2.47 -1.26 -4.94 119.74 118.71 2rpa s LYS 71 Ca 0.61 -0.68 0.08 0.00 -1.56 0.00 0.00 55.97 54.42 2rpa s LYS 71 Cb -0.29 -1.76 0.07 0.00 -1.46 0.00 0.00 37.83 34.39 2rpa s LYS 71 CO 0.35 0.24 0.76 0.25 0.16 0.00 0.00 175.35 177.11