#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw5 s LEU -2 N 0.00 2.47 0.67 1.53 2.96 -1.26 -5.07 118.68 119.97 3hw5 s LEU -2 Ca 0.00 -1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 52.66 3hw5 s LEU -2 Cb 0.00 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.58 3hw5 s LEU -2 CO 0.00 -0.25 1.02 -0.83 -1.32 0.00 0.00 176.35 174.97 3hw5 s GLY -1 N 1.43 1.62 0.37 7.98 0.00 -1.26 -5.06 107.32 112.40 3hw5 s GLY -1 Ca -0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 3hw5 s GLY -1 CO -0.07 -0.20 0.73 -1.35 0.00 0.00 0.00 173.10 172.21 3hw5 s SER 0 N -4.36 6.56 0.21 1.64 1.04 -1.26 -4.99 113.70 112.54 3hw5 s SER 0 Ca 0.57 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 3hw5 s SER 0 Cb -0.11 -2.31 0.28 0.00 0.10 0.00 0.00 66.02 63.98 3hw5 s SER 0 CO 0.48 -0.33 1.69 -0.03 0.98 0.00 0.00 173.24 176.03 3hw5 h MET 1 N 1.52 0.18 -0.34 4.02 4.05 -1.97 -2.21 114.93 120.19 3hw5 h MET 1 Ca -0.47 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 3hw5 h MET 1 Cb 1.18 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 3hw5 h MET 1 CO 0.65 0.12 0.01 1.49 0.23 0.00 0.00 176.91 179.41 3hw5 h GLU 2 N 0.19 0.11 -0.56 0.39 4.81 -1.90 -0.85 114.58 116.76 3hw5 h GLU 2 Ca 0.31 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 3hw5 h GLU 2 Cb 0.48 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3hw5 h GLU 2 CO -0.45 0.07 0.37 -0.44 -0.73 0.00 0.00 179.01 177.83 3hw5 h ASP 3 N 0.11 0.53 -0.21 1.04 3.45 -1.91 -1.90 116.42 117.53 3hw5 h ASP 3 Ca 0.16 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3hw5 h ASP 3 Cb 0.21 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3hw5 h ASP 3 CO -0.26 0.37 0.09 0.15 -1.57 0.00 0.00 179.24 178.01 3hw5 h PHE 4 N 0.62 0.32 -0.21 4.55 3.57 -0.66 -2.11 116.94 123.03 3hw5 h PHE 4 Ca 0.23 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hw5 h PHE 4 Cb 0.13 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3hw5 h PHE 4 CO -0.00 0.35 0.08 0.28 -2.23 0.00 0.00 178.31 176.79 3hw5 h VAL 5 N 0.19 0.96 0.00 1.41 2.07 -0.86 0.32 116.25 120.34 3hw5 h VAL 5 Ca 0.07 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hw5 h VAL 5 Cb 0.17 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3hw5 h VAL 5 CO -0.01 0.03 -0.06 0.03 0.02 0.00 0.00 177.57 177.59 3hw5 h ARG 6 N 0.18 0.00 0.00 1.57 3.08 -1.22 -2.56 114.38 115.44 3hw5 h ARG 6 Ca 0.09 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.81 3hw5 h ARG 6 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3hw5 h ARG 6 CO -0.08 0.06 -2.02 0.00 -1.07 0.00 0.00 179.97 176.85 3hw5 n GLN 7 N -3.85 0.66 0.11 0.04 -0.00 -0.80 -4.54 117.38 108.99 3hw5 n GLN 7 Ca -0.03 0.16 -0.17 0.00 -0.00 0.00 0.00 57.00 56.96 3hw5 n GLN 7 Cb 0.15 -1.67 -0.13 0.00 -0.00 0.00 0.00 30.24 28.60 3hw5 n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hw5 s PHE 9 N -2.75 3.07 0.36 0.00 0.40 -1.02 -5.08 117.98 112.95 3hw5 s PHE 9 Ca -0.05 -0.05 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 3hw5 s PHE 9 Cb 0.07 -1.48 -0.11 0.00 0.51 0.00 0.00 43.02 42.01 3hw5 s PHE 9 CO 0.89 0.52 1.42 1.21 0.70 0.00 0.00 175.22 179.96 3hw5 s ASN 10 N -3.05 6.51 0.32 1.36 3.84 -1.26 -4.79 114.94 117.87 3hw5 s ASN 10 Ca 0.30 2.91 0.07 0.00 0.21 0.00 0.00 52.86 56.35 3hw5 s ASN 10 Cb -0.10 -2.66 0.75 0.00 -0.55 0.00 0.00 41.25 38.69 3hw5 s ASN 10 CO 0.22 -0.75 1.81 1.55 -2.79 0.00 0.00 177.10 177.14 3hw5 h PRO 11 N 3.19 0.74 -0.69 0.43 0.13 -1.97 -0.93 132.00 132.90 3hw5 h PRO 11 Ca -0.50 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.65 3hw5 h PRO 11 Cb 1.23 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 3hw5 h PRO 11 CO 0.65 0.49 0.38 1.98 -0.23 0.00 0.00 178.00 181.27 3hw5 h MET 12 N 0.77 0.67 0.00 0.86 1.85 -1.99 0.15 114.93 117.24 3hw5 h MET 12 Ca 0.54 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.59 3hw5 h MET 12 Cb 0.83 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.71 3hw5 h MET 12 CO -0.31 0.44 -0.00 0.82 -0.40 0.00 0.00 176.91 177.46 3hw5 h ILE 13 N 0.69 1.18 -0.60 1.77 1.08 -1.65 -1.63 117.51 118.35 3hw5 h ILE 13 Ca 0.32 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.33 3hw5 h ILE 13 Cb 0.22 1.55 -0.07 0.00 -3.07 0.00 0.00 36.82 35.45 3hw5 h ILE 13 CO -0.20 0.14 0.23 0.58 -0.69 0.00 0.00 178.15 178.21 3hw5 h VAL 14 N -0.24 0.79 -0.70 1.67 2.07 -0.96 -0.52 116.25 118.37 3hw5 h VAL 14 Ca -0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3hw5 h VAL 14 Cb 0.23 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hw5 h VAL 14 CO 0.00 0.08 0.28 -0.08 0.02 0.00 0.00 177.57 177.87 3hw5 h GLU 15 N 0.42 1.04 -0.30 1.57 4.81 -0.62 -1.89 114.58 119.60 3hw5 h GLU 15 Ca 0.30 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3hw5 h GLU 15 Cb 0.36 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hw5 h GLU 15 CO -0.29 0.85 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.65 3hw5 h LEU 16 N 0.99 0.50 -0.32 1.64 3.38 -0.63 -1.90 115.31 118.96 3hw5 h LEU 16 Ca 0.23 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hw5 h LEU 16 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hw5 h LEU 16 CO -0.02 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 3hw5 h ALA 17 N 1.40 0.44 -0.22 1.53 0.00 -0.57 0.20 119.26 122.04 3hw5 h ALA 17 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hw5 h ALA 17 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hw5 h ALA 17 CO 0.03 0.22 0.04 0.93 0.00 0.00 0.00 179.25 180.47 3hw5 h GLU 18 N 0.38 0.35 -0.51 0.00 5.08 -1.24 0.10 114.58 118.75 3hw5 h GLU 18 Ca 0.09 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3hw5 h GLU 18 Cb 0.49 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 3hw5 h GLU 18 CO 0.02 0.50 -0.09 0.87 -1.00 0.00 0.00 179.01 179.31 3hw5 h LYS 19 N 0.16 0.03 -0.51 2.33 6.56 -1.33 0.53 116.57 124.33 3hw5 h LYS 19 Ca 0.07 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 3hw5 h LYS 19 Cb 0.31 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 3hw5 h LYS 19 CO 0.00 0.02 0.15 0.00 -2.06 0.00 0.00 179.45 177.56 3hw5 h ALA 20 N 1.50 1.29 -0.05 3.86 0.00 -0.46 0.20 119.26 125.59 3hw5 h ALA 20 Ca 0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hw5 h ALA 20 Cb 0.39 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hw5 h ALA 20 CO -0.50 0.50 -0.48 0.52 0.00 0.00 0.00 179.25 179.29 3hw5 h MET 21 N 0.75 0.42 -0.73 0.00 2.86 -0.01 -3.29 114.93 114.92 3hw5 h MET 21 Ca 0.17 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3hw5 h MET 21 Cb 0.24 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3hw5 h MET 21 CO -0.01 1.03 0.48 0.87 1.06 0.00 0.00 176.91 180.35 3hw5 h LYS 22 N -0.05 0.85 -0.26 1.72 1.57 0.24 -0.49 116.57 120.15 3hw5 h LYS 22 Ca -0.04 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3hw5 h LYS 22 Cb 1.16 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3hw5 h LYS 22 CO 0.10 0.56 0.35 1.49 -0.57 0.00 0.00 179.45 181.38 3hw5 h GLU 23 N 0.88 0.00 -0.01 3.15 4.81 -1.03 -2.42 114.58 119.96 3hw5 h GLU 23 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3hw5 h GLU 23 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3hw5 h GLU 23 CO -0.09 0.00 -0.00 0.66 -0.73 0.00 0.00 179.01 178.85 3hw5 n TYR 24 N -3.54 0.00 -0.98 0.92 0.53 -0.33 -4.98 117.16 108.77 3hw5 n TYR 24 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 3hw5 n TYR 24 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 3hw5 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hw5 n GLY 25 N 0.51 0.47 3.80 2.72 0.00 -0.78 -5.03 105.19 106.88 3hw5 n GLY 25 Ca 0.05 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3hw5 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw5 s GLU 26 N -0.59 4.31 -0.24 1.61 2.02 -0.41 -4.96 118.70 120.45 3hw5 s GLU 26 Ca 0.00 0.89 -0.10 0.00 0.02 0.00 0.00 54.97 55.78 3hw5 s GLU 26 Cb 0.00 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3hw5 s GLU 26 CO 0.00 0.52 0.14 0.34 0.02 0.00 0.00 175.26 176.28 3hw5 s ASP 27 N -1.37 5.86 0.62 -0.19 3.68 -1.26 -3.53 116.67 120.48 3hw5 s ASP 27 Ca 0.37 0.02 0.40 0.00 2.13 0.00 0.00 52.55 55.47 3hw5 s ASP 27 Cb -0.19 -2.06 2.17 0.00 -1.45 0.00 0.00 42.92 41.39 3hw5 s ASP 27 CO 0.22 0.04 2.22 -0.65 0.13 0.00 0.00 175.17 177.12 3hw5 h PRO 28 N 7.72 0.00 -0.00 4.34 0.11 -1.93 -1.19 132.00 141.04 3hw5 h PRO 28 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hw5 h PRO 28 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hw5 h PRO 28 CO 0.62 0.00 -0.36 1.63 -0.21 0.00 0.00 178.00 179.69 3hw5 n LYS 29 N -2.94 0.21 -0.03 1.05 5.02 -1.26 -4.04 118.16 116.16 3hw5 n LYS 29 Ca -0.03 -0.11 -0.06 0.00 -2.02 0.00 0.00 58.31 56.10 3hw5 n LYS 29 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3hw5 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hw5 n ILE 30 N -1.30 0.38 -3.03 -0.18 5.41 -0.69 -4.78 119.36 115.18 3hw5 n ILE 30 Ca 0.08 -0.12 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 3hw5 n ILE 30 Cb 0.33 -1.13 0.01 0.00 -0.71 0.00 0.00 39.64 38.14 3hw5 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw5 n GLU 31 N -2.98 4.37 0.05 0.38 1.02 -0.54 -4.76 120.64 118.18 3hw5 n GLU 31 Ca -0.13 -4.53 -0.06 0.00 -0.02 0.00 0.00 57.16 52.43 3hw5 n GLU 31 Cb 0.61 -2.52 -0.11 0.00 -0.02 0.00 0.00 31.44 29.40 3hw5 n GLU 31 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3hw5 h THR 32 N 3.45 1.36 -0.33 2.62 1.35 -1.84 -0.68 112.91 118.85 3hw5 h THR 32 Ca 0.20 -3.05 -0.16 0.00 -0.55 0.00 0.00 66.41 62.85 3hw5 h THR 32 Cb 0.64 2.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.72 3hw5 h THR 32 CO 1.31 0.77 -0.43 0.78 -0.25 0.00 0.00 175.52 177.70 3hw5 h ASN 33 N 0.00 0.90 0.24 5.36 2.35 -1.91 -2.27 115.58 120.25 3hw5 h ASN 33 Ca -0.08 -0.43 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 3hw5 h ASN 33 Cb 1.77 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 3hw5 h ASN 33 CO 0.11 1.20 -0.42 0.50 -1.65 0.00 0.00 177.43 177.17 3hw5 h LYS 34 N 0.68 0.23 0.36 0.81 3.64 -1.89 -0.52 116.57 119.87 3hw5 h LYS 34 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hw5 h LYS 34 Cb 1.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3hw5 h LYS 34 CO 0.10 0.62 -0.31 0.35 -2.27 0.00 0.00 179.45 177.93 3hw5 h PHE 35 N 0.19 -0.83 -0.56 1.91 -0.00 -0.95 0.17 116.94 116.87 3hw5 h PHE 35 Ca 0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.09 3hw5 h PHE 35 Cb 0.83 0.31 -0.08 0.00 -0.00 0.00 0.00 35.95 37.01 3hw5 h PHE 35 CO 0.01 -0.45 0.12 0.00 -0.00 0.00 0.00 178.31 177.99 3hw5 h ALA 36 N -0.16 0.65 -0.73 2.41 0.00 -1.14 -1.76 119.26 118.54 3hw5 h ALA 36 Ca -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hw5 h ALA 36 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hw5 h ALA 36 CO -0.03 -0.30 0.25 0.00 0.00 0.00 0.00 179.25 179.17 3hw5 h ALA 37 N 1.44 0.95 -0.54 0.00 0.00 -0.72 -1.20 119.26 119.19 3hw5 h ALA 37 Ca 0.29 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3hw5 h ALA 37 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hw5 h ALA 37 CO -0.37 0.61 -0.12 0.82 0.00 0.00 0.00 179.25 180.20 3hw5 h ILE 38 N 1.07 1.27 -0.80 0.00 2.04 -0.81 -0.65 117.51 119.62 3hw5 h ILE 38 Ca 0.24 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3hw5 h ILE 38 Cb 0.28 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3hw5 h ILE 38 CO -0.01 0.45 0.49 0.00 0.00 0.00 0.00 178.15 179.08 3hw5 h THR 40 N 1.10 0.55 -0.52 0.00 2.02 -0.92 -0.96 112.91 114.19 3hw5 h THR 40 Ca 0.29 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.43 3hw5 h THR 40 Cb -0.06 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 3hw5 h THR 40 CO -0.06 0.03 -0.03 -0.74 0.37 0.00 0.00 175.52 175.09 3hw5 h HIS 41 N -0.69 -0.09 -0.45 3.16 6.17 -1.04 -0.89 115.15 121.33 3hw5 h HIS 41 Ca -0.06 0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.07 3hw5 h HIS 41 Cb 0.51 0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.53 3hw5 h HIS 41 CO -0.03 -0.15 0.28 -0.07 0.71 0.00 0.00 177.93 178.67 3hw5 h LEU 42 N 0.09 0.46 -0.43 0.26 -0.00 -0.84 0.79 115.31 115.63 3hw5 h LEU 42 Ca 0.26 -0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.18 3hw5 h LEU 42 Cb 0.40 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 3hw5 h LEU 42 CO -0.46 0.33 0.19 -0.08 -0.00 0.00 0.00 178.44 178.42 3hw5 h GLU 43 N 0.56 0.37 -0.07 1.13 4.81 -0.64 -0.90 114.58 119.84 3hw5 h GLU 43 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hw5 h GLU 43 Cb -0.02 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3hw5 h GLU 43 CO -0.06 0.24 0.04 0.28 -0.73 0.00 0.00 179.01 178.78 3hw5 h VAL 44 N 0.38 1.07 -0.69 0.32 2.07 -0.85 -0.97 116.25 117.57 3hw5 h VAL 44 Ca 0.19 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.66 3hw5 h VAL 44 Cb 0.14 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3hw5 h VAL 44 CO -0.16 0.06 0.23 0.00 0.02 0.00 0.00 177.57 177.71 3hw5 h PHE 46 N 0.36 1.05 -0.62 0.00 0.04 -0.85 -1.78 116.94 115.15 3hw5 h PHE 46 Ca 0.37 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 3hw5 h PHE 46 Cb 0.56 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3hw5 h PHE 46 CO -0.20 0.89 0.31 0.52 -0.60 0.00 0.00 178.31 179.22 3hw5 h MET 47 N 0.91 0.88 -0.55 1.51 2.86 -0.81 -3.12 114.93 116.60 3hw5 h MET 47 Ca 0.19 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3hw5 h MET 47 Cb 0.38 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3hw5 h MET 47 CO 0.01 0.70 0.21 -0.92 1.06 0.00 0.00 176.91 177.97 3hw5 h TYR 48 N 0.84 0.84 -3.30 -0.22 5.03 -0.63 -3.50 116.97 116.03 3hw5 h TYR 48 Ca 0.21 -0.07 -0.49 0.00 2.58 0.00 0.00 58.73 60.97 3hw5 h TYR 48 Cb 0.10 -0.25 0.03 0.00 1.55 0.00 0.00 36.73 38.16 3hw5 h TYR 48 CO -0.00 0.69 0.01 -1.54 -1.32 0.00 0.00 178.16 175.99 3hw5 s SER 49 N -6.05 6.26 0.00 -2.11 1.04 -0.69 -5.05 113.70 107.09 3hw5 s SER 49 Ca -0.13 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3hw5 s SER 49 Cb 0.12 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3hw5 s SER 49 CO 0.79 -0.49 0.00 -1.14 0.98 0.00 0.00 173.24 173.38 3hw5 n ARG 75 N -2.10 0.00 -4.55 4.02 0.63 -1.26 -5.02 116.66 108.37 3hw5 n ARG 75 Ca -0.01 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.61 3hw5 n ARG 75 Cb 0.56 -0.88 -0.12 0.00 0.45 0.00 0.00 32.46 32.47 3hw5 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw5 s PHE 76 N 0.00 2.61 -0.12 -0.14 0.40 -1.26 -0.95 117.98 118.52 3hw5 s PHE 76 Ca 0.00 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3hw5 s PHE 76 Cb 0.00 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 3hw5 s PHE 76 CO 0.00 0.30 0.09 -2.00 0.70 0.00 0.00 175.22 174.31 3hw5 s GLU 77 N -1.60 3.39 -0.20 0.44 2.56 -0.42 -4.93 118.70 117.95 3hw5 s GLU 77 Ca 0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 54.97 54.77 3hw5 s GLU 77 Cb -0.11 -3.09 -0.05 0.00 2.00 0.00 0.00 34.13 32.89 3hw5 s GLU 77 CO 0.07 0.69 0.25 0.42 -0.56 0.00 0.00 175.26 176.12 3hw5 s ILE 78 N -0.79 5.32 -0.18 -3.70 1.01 -1.26 -1.07 121.20 120.53 3hw5 s ILE 78 Ca 0.13 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.22 3hw5 s ILE 78 Cb -0.12 -3.58 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 3hw5 s ILE 78 CO 0.03 0.36 -0.15 -0.38 0.00 0.00 0.00 174.94 174.81 3hw5 n ILE 79 N 3.87 1.07 -1.88 2.92 5.41 -0.02 -4.94 119.36 125.78 3hw5 n ILE 79 Ca -0.13 -0.43 -0.38 0.00 1.00 0.00 0.00 62.75 62.81 3hw5 n ILE 79 Cb 0.52 -1.12 0.03 0.00 -0.71 0.00 0.00 39.64 38.36 3hw5 n ILE 79 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3hw5 s GLU 80 N -2.37 3.24 0.00 0.38 2.56 -0.76 -3.25 118.70 118.50 3hw5 s GLU 80 Ca -0.24 2.12 0.00 0.00 0.00 0.00 0.00 54.97 56.86 3hw5 s GLU 80 Cb 0.06 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.93 3hw5 s GLU 80 CO 0.45 -1.08 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 3hw5 n GLY 81 N 0.67 0.56 3.90 -1.50 0.00 -1.26 -5.05 105.19 102.52 3hw5 n GLY 81 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3hw5 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw5 s ARG 82 N -0.82 3.29 0.90 1.61 0.52 -1.20 -5.02 118.95 118.24 3hw5 s ARG 82 Ca 0.00 -0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 3hw5 s ARG 82 Cb 0.00 -2.88 0.13 0.00 0.52 0.00 0.00 34.95 32.73 3hw5 s ARG 82 CO 0.00 0.51 1.09 0.16 0.02 0.00 0.00 175.30 177.08 3hw5 s ASP 83 N -3.20 3.42 0.26 0.23 1.47 -1.26 -4.64 116.67 112.95 3hw5 s ASP 83 Ca 0.34 1.41 -0.01 0.00 1.18 0.00 0.00 52.55 55.46 3hw5 s ASP 83 Cb -0.11 -2.09 0.51 0.00 -0.34 0.00 0.00 42.92 40.90 3hw5 s ASP 83 CO 0.27 -2.66 1.77 0.03 0.68 0.00 0.00 175.17 175.26 3hw5 h ARG 84 N -1.57 0.62 -0.18 2.11 2.47 -1.98 0.12 114.38 115.97 3hw5 h ARG 84 Ca -0.50 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.15 3hw5 h ARG 84 Cb 1.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 3hw5 h ARG 84 CO 0.56 0.41 0.00 1.15 0.56 0.00 0.00 179.97 182.65 3hw5 h THR 85 N 0.64 1.25 -0.65 2.04 2.02 -1.99 -0.97 112.91 115.25 3hw5 h THR 85 Ca 0.45 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 3hw5 h THR 85 Cb 0.61 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3hw5 h THR 85 CO -0.35 0.25 0.13 0.24 0.37 0.00 0.00 175.52 176.17 3hw5 h MET 86 N 0.07 1.05 0.09 6.66 2.86 -1.72 -1.20 114.93 122.75 3hw5 h MET 86 Ca 0.05 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3hw5 h MET 86 Cb 0.38 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3hw5 h MET 86 CO 0.01 0.96 -0.09 0.00 1.06 0.00 0.00 176.91 178.85 3hw5 h ALA 87 N 1.05 -0.17 -0.21 6.32 0.00 -0.60 -1.38 119.26 124.27 3hw5 h ALA 87 Ca 0.20 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3hw5 h ALA 87 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hw5 h ALA 87 CO 0.01 -0.61 -0.29 -1.49 0.00 0.00 0.00 179.25 176.87 3hw5 h TRP 88 N -0.19 0.47 -0.45 0.00 4.06 -1.14 -1.78 115.95 116.90 3hw5 h TRP 88 Ca 0.01 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 3hw5 h TRP 88 Cb 0.19 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 3hw5 h TRP 88 CO -0.11 0.67 0.02 0.00 -3.56 0.00 0.00 178.44 175.45 3hw5 h THR 89 N 0.36 1.23 -0.37 1.49 1.03 -0.65 0.61 112.91 116.61 3hw5 h THR 89 Ca 0.05 -0.93 -0.05 0.00 -0.01 0.00 0.00 66.41 65.46 3hw5 h THR 89 Cb 0.70 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 3hw5 h THR 89 CO 0.05 0.33 0.02 1.62 -0.01 0.00 0.00 175.52 177.53 3hw5 h VAL 90 N 0.69 1.25 -0.10 0.00 3.04 -1.09 -1.18 116.25 118.87 3hw5 h VAL 90 Ca 0.14 -0.94 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3hw5 h VAL 90 Cb 0.40 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3hw5 h VAL 90 CO 0.01 0.32 0.05 0.58 -1.01 0.00 0.00 177.57 177.52 3hw5 h VAL 91 N 0.47 1.10 -0.74 1.51 2.07 -1.15 -1.65 116.25 117.85 3hw5 h VAL 91 Ca 0.11 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hw5 h VAL 91 Cb 0.43 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3hw5 h VAL 91 CO 0.01 0.08 0.42 0.78 0.02 0.00 0.00 177.57 178.89 3hw5 h ASN 92 N 0.05 0.90 -0.39 0.57 -0.26 -0.82 0.17 115.58 115.81 3hw5 h ASN 92 Ca 0.03 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3hw5 h ASN 92 Cb 0.09 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3hw5 h ASN 92 CO -0.01 0.71 0.13 0.77 -1.06 0.00 0.00 177.43 177.97 3hw5 h SER 93 N 1.03 0.56 -0.44 5.81 4.64 -0.92 0.87 113.55 125.09 3hw5 h SER 93 Ca 0.26 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3hw5 h SER 93 Cb -0.00 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.88 3hw5 h SER 93 CO -0.05 0.61 0.10 0.40 -0.87 0.00 0.00 176.83 177.03 3hw5 h ILE 94 N 0.48 0.78 -0.68 0.95 2.04 -1.03 -1.04 117.51 119.02 3hw5 h ILE 94 Ca 0.13 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3hw5 h ILE 94 Cb 0.25 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3hw5 h ILE 94 CO -0.01 0.04 0.14 0.00 0.00 0.00 0.00 178.15 178.33 3hw5 h ASN 96 N 1.03 0.00 0.05 0.00 -1.07 -0.51 0.77 115.58 115.85 3hw5 h ASN 96 Ca 0.21 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.35 3hw5 h ASN 96 Cb 0.40 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.63 3hw5 h ASN 96 CO 0.01 0.40 -1.23 0.74 0.07 0.00 0.00 177.43 177.41 3hw5 h THR 97 N 0.00 1.03 0.00 6.14 2.02 -0.90 -3.37 112.91 117.83 3hw5 h THR 97 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3hw5 h THR 97 Cb 1.14 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3hw5 h THR 97 CO 0.05 0.53 -0.85 0.35 0.37 0.00 0.00 175.52 175.97 3hw5 n THR 98 N -4.20 0.44 0.00 3.16 -2.24 0.37 -4.96 114.28 106.86 3hw5 n THR 98 Ca -0.27 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3hw5 n THR 98 Cb 0.76 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3hw5 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw5 n GLY 99 N 1.27 1.87 3.74 3.38 0.00 0.26 -5.02 105.19 110.69 3hw5 n GLY 99 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3hw5 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw5 s VAL 100 N -2.49 2.88 0.25 1.61 1.01 -1.24 -4.89 120.40 117.52 3hw5 s VAL 100 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 3hw5 s VAL 100 Cb 0.00 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.57 3hw5 s VAL 100 CO 0.00 -0.34 1.53 1.21 0.00 0.00 0.00 175.10 177.50 3hw5 n GLU 101 N -3.48 2.38 -2.33 2.72 2.13 -1.26 -4.60 120.64 116.20 3hw5 n GLU 101 Ca 0.10 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.36 3hw5 n GLU 101 Cb 0.52 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.61 3hw5 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw5 s LYS 102 N -0.14 4.41 0.62 5.31 2.20 -1.26 -5.00 119.74 125.87 3hw5 s LYS 102 Ca 0.68 1.89 -0.13 0.00 -0.36 0.00 0.00 55.97 58.05 3hw5 s LYS 102 Cb -0.58 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 3hw5 s LYS 102 CO 0.46 -0.29 1.03 -1.25 -0.36 0.00 0.00 175.35 174.95 3hw5 s PRO 103 N 0.85 3.43 0.08 4.03 0.04 -1.26 -4.98 135.00 137.19 3hw5 s PRO 103 Ca 0.60 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 3hw5 s PRO 103 Cb -0.32 -2.06 -0.27 0.00 0.04 0.00 0.00 34.50 31.89 3hw5 s PRO 103 CO 0.31 -0.71 1.16 0.87 0.04 0.00 0.00 177.00 178.68 3hw5 h LYS 104 N -0.11 0.22 -6.55 4.56 1.79 -1.95 -3.45 116.57 111.08 3hw5 h LYS 104 Ca -0.45 -0.37 -0.69 0.00 -2.18 0.00 0.00 60.65 56.96 3hw5 h LYS 104 Cb 1.20 0.14 -0.24 0.00 -1.58 0.00 0.00 32.23 31.75 3hw5 h LYS 104 CO 0.60 1.17 -0.82 -0.06 -1.08 0.00 0.00 179.45 179.26 3hw5 s PHE 105 N -2.67 2.52 -0.04 -1.35 0.08 -1.26 -5.08 117.98 110.19 3hw5 s PHE 105 Ca -0.03 -0.28 -0.35 0.00 0.12 0.00 0.00 56.93 56.39 3hw5 s PHE 105 Cb 0.08 -1.50 -0.13 0.00 -0.57 0.00 0.00 43.02 40.90 3hw5 s PHE 105 CO 0.87 0.18 1.77 1.28 -0.10 0.00 0.00 175.22 179.22 3hw5 n LEU 106 N 1.88 3.19 0.00 -0.37 4.77 -1.26 -4.99 117.00 120.21 3hw5 n LEU 106 Ca -0.16 1.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.76 3hw5 n LEU 106 Cb 0.52 -1.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.30 3hw5 n LEU 106 CO 0.25 -0.19 0.21 -0.81 -1.33 0.00 0.00 177.39 175.53 3hw5 n PRO 107 N 5.58 -0.09 -0.11 3.23 -0.04 -1.26 -5.06 135.00 137.25 3hw5 n PRO 107 Ca 0.21 -0.62 -0.15 0.00 -0.04 0.00 0.00 63.50 62.90 3hw5 n PRO 107 Cb 0.27 -0.31 -0.14 0.00 -0.04 0.00 0.00 33.50 33.29 3hw5 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw5 n ASP 108 N -3.14 1.21 -4.05 3.54 8.00 0.05 -4.27 116.55 117.89 3hw5 n ASP 108 Ca 0.05 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 3hw5 n ASP 108 Cb 0.16 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.29 3hw5 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw5 s LEU 109 N -6.13 1.75 -0.06 0.64 1.43 -0.85 -0.84 118.68 114.61 3hw5 s LEU 109 Ca -0.25 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 51.88 3hw5 s LEU 109 Cb 0.08 0.55 -0.00 0.00 0.03 0.00 0.00 46.19 46.85 3hw5 s LEU 109 CO 0.69 -0.73 -0.19 -0.47 0.23 0.00 0.00 176.35 175.89 3hw5 s TYR 110 N -3.97 1.93 -0.38 0.29 5.04 -0.23 -0.89 117.35 119.14 3hw5 s TYR 110 Ca 0.16 -0.64 -0.13 0.00 -2.44 0.00 0.00 57.07 54.02 3hw5 s TYR 110 Cb 0.06 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 41.08 3hw5 s TYR 110 CO -0.03 -0.24 0.24 0.34 -1.34 0.00 0.00 175.55 174.51 3hw5 s ASP 111 N 0.19 5.92 0.22 4.32 3.68 0.53 -1.30 116.67 130.23 3hw5 s ASP 111 Ca -0.09 -0.81 0.24 0.00 2.13 0.00 0.00 52.55 54.02 3hw5 s ASP 111 Cb -0.14 -2.09 0.92 0.00 -1.45 0.00 0.00 42.92 40.15 3hw5 s ASP 111 CO 0.04 -0.36 1.73 -1.22 0.13 0.00 0.00 175.17 175.48 3hw5 n TYR 112 N 5.08 0.78 -0.09 -5.34 4.01 -0.13 -1.04 117.16 120.43 3hw5 n TYR 112 Ca -0.12 0.28 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 3hw5 n TYR 112 Cb 0.47 -0.95 -0.12 0.00 -0.31 0.00 0.00 39.34 38.44 3hw5 n TYR 112 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hw5 h LYS 113 N 0.00 0.03 -0.05 -0.72 3.11 -1.93 -3.33 116.57 113.68 3hw5 h LYS 113 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3hw5 h LYS 113 Cb 0.48 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 3hw5 h LYS 113 CO 0.00 1.03 0.00 0.39 -2.81 0.00 0.00 179.45 178.06 3hw5 n GLU 114 N -4.36 1.39 -3.68 1.90 -0.58 -1.24 -4.99 120.64 109.07 3hw5 n GLU 114 Ca -0.30 -0.57 -0.24 0.00 -0.42 0.00 0.00 57.16 55.63 3hw5 n GLU 114 Cb 0.70 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 3hw5 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw5 n ASN 115 N -0.26 -4.09 -3.58 1.62 4.13 -0.21 -5.01 115.26 107.86 3hw5 n ASN 115 Ca 0.18 -0.89 -0.14 0.00 1.68 0.00 0.00 54.58 55.41 3hw5 n ASN 115 Cb 0.23 -1.38 -0.06 0.00 -1.54 0.00 0.00 39.78 37.02 3hw5 n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hw5 s ARG 116 N -4.88 0.83 0.58 3.52 1.70 -0.97 -4.98 118.95 114.74 3hw5 s ARG 116 Ca 0.05 0.52 -0.17 0.00 -0.47 0.00 0.00 55.73 55.65 3hw5 s ARG 116 Cb -0.03 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 3hw5 s ARG 116 CO 0.79 -0.19 1.09 -0.06 -1.08 0.00 0.00 175.30 175.85 3hw5 s PHE 117 N -0.48 2.79 -0.05 5.89 0.40 -1.26 -0.35 117.98 124.93 3hw5 s PHE 117 Ca -0.04 1.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.87 3hw5 s PHE 117 Cb -0.02 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.36 3hw5 s PHE 117 CO 0.03 -1.36 -0.13 0.42 0.70 0.00 0.00 175.22 174.88 3hw5 s ILE 118 N -2.13 1.14 -0.22 0.64 1.01 -0.07 -1.40 121.20 120.17 3hw5 s ILE 118 Ca 0.68 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 3hw5 s ILE 118 Cb -0.20 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 3hw5 s ILE 118 CO 0.32 0.34 0.13 -0.70 0.00 0.00 0.00 174.94 175.03 3hw5 s GLU 119 N 0.30 4.04 -0.17 2.79 2.56 0.81 -0.77 118.70 128.26 3hw5 s GLU 119 Ca -0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 54.97 54.54 3hw5 s GLU 119 Cb -0.12 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.53 3hw5 s GLU 119 CO 0.02 0.12 0.04 0.42 -0.56 0.00 0.00 175.26 175.30 3hw5 s ILE 120 N 0.85 4.57 0.16 -3.70 -1.09 -1.26 -1.28 121.20 119.45 3hw5 s ILE 120 Ca 0.07 -0.11 0.11 0.00 -2.23 0.00 0.00 60.65 58.48 3hw5 s ILE 120 Cb -0.13 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3hw5 s ILE 120 CO 0.03 0.47 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.14 3hw5 s GLY 121 N 0.33 1.58 -0.12 6.18 0.00 -0.19 -4.95 107.32 110.15 3hw5 s GLY 121 Ca 0.01 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.23 3hw5 s GLY 121 CO 0.01 -1.53 -0.18 0.14 0.00 0.00 0.00 173.10 171.54 3hw5 s VAL 122 N -1.41 1.69 0.06 1.40 1.01 -1.26 -0.59 120.40 121.31 3hw5 s VAL 122 Ca 0.16 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3hw5 s VAL 122 Cb -0.09 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3hw5 s VAL 122 CO 0.07 0.48 -0.23 0.28 0.00 0.00 0.00 175.10 175.71 3hw5 s THR 123 N 0.90 1.84 -2.37 3.92 -1.32 0.06 -4.97 115.64 113.71 3hw5 s THR 123 Ca -0.07 -1.35 0.24 0.00 -1.21 0.00 0.00 61.69 59.30 3hw5 s THR 123 Cb -0.15 -1.61 0.50 0.00 -1.51 0.00 0.00 72.50 69.73 3hw5 s THR 123 CO -0.01 0.20 1.64 -2.11 -2.21 0.00 0.00 174.62 172.13 3hw5 n ARG 124 N 1.63 1.69 0.00 7.08 1.85 -1.26 -2.69 116.66 124.96 3hw5 n ARG 124 Ca -0.17 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.65 3hw5 n ARG 124 Cb 0.53 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 3hw5 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw5 n ARG 125 N 0.24 3.70 -3.13 2.89 1.74 -1.26 -4.92 116.66 115.93 3hw5 n ARG 125 Ca 0.17 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 3hw5 n ARG 125 Cb 0.34 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.72 3hw5 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw5 s GLU 126 N 2.60 4.23 0.21 5.56 0.41 -1.26 -4.89 118.70 125.55 3hw5 s GLU 126 Ca 0.00 0.83 -0.07 0.00 -0.41 0.00 0.00 54.97 55.31 3hw5 s GLU 126 Cb 0.00 -2.91 0.14 0.00 -1.78 0.00 0.00 34.13 29.58 3hw5 s GLU 126 CO 0.00 0.42 1.71 -0.39 -0.49 0.00 0.00 175.26 176.51 3hw5 h VAL 127 N 2.79 1.26 -0.55 2.63 -1.51 -1.94 -2.61 116.25 116.33 3hw5 h VAL 127 Ca -0.48 -1.00 -0.07 0.00 -1.23 0.00 0.00 66.70 63.92 3hw5 h VAL 127 Cb 1.19 0.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 3hw5 h VAL 127 CO 0.65 0.38 0.08 -0.74 -1.23 0.00 0.00 177.57 176.71 3hw5 h HIS 128 N 1.03 0.94 -0.11 5.19 6.17 -1.93 -0.01 115.15 126.41 3hw5 h HIS 128 Ca 0.21 -0.11 0.01 0.00 0.71 0.00 0.00 60.37 61.19 3hw5 h HIS 128 Cb 0.41 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 3hw5 h HIS 128 CO 0.03 0.81 0.02 1.15 0.71 0.00 0.00 177.93 180.65 3hw5 h THR 129 N 0.84 0.95 -0.49 6.26 2.02 -1.88 -0.36 112.91 120.25 3hw5 h THR 129 Ca 0.17 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 3hw5 h THR 129 Cb 0.39 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3hw5 h THR 129 CO 0.01 0.01 0.07 0.22 0.37 0.00 0.00 175.52 176.20 3hw5 h TYR 130 N 0.07 0.88 -0.47 3.16 3.20 -1.39 -1.90 116.97 120.51 3hw5 h TYR 130 Ca 0.05 -0.13 0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hw5 h TYR 130 Cb 0.05 -0.24 -0.09 0.00 1.54 0.00 0.00 36.73 37.99 3hw5 h TYR 130 CO -0.12 0.81 -0.09 -0.92 -1.64 0.00 0.00 178.16 176.19 3hw5 h TYR 131 N 0.69 -0.20 -0.32 -3.82 3.20 -0.90 -1.27 116.97 114.35 3hw5 h TYR 131 Ca 0.15 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3hw5 h TYR 131 Cb 0.41 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3hw5 h TYR 131 CO 0.03 -0.18 0.01 -0.07 -1.64 0.00 0.00 178.16 176.31 3hw5 h LEU 132 N 0.02 0.55 -0.86 2.82 3.38 -0.90 0.18 115.31 120.50 3hw5 h LEU 132 Ca 0.23 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.08 3hw5 h LEU 132 Cb 0.35 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 40.79 3hw5 h LEU 132 CO -0.47 0.71 -0.21 -0.33 0.09 0.00 0.00 178.44 178.23 3hw5 h GLU 133 N 0.37 0.00 -0.28 1.13 5.08 -1.15 0.72 114.58 120.45 3hw5 h GLU 133 Ca 0.09 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3hw5 h GLU 133 Cb 0.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hw5 h GLU 133 CO 0.01 0.00 -0.20 0.87 -1.00 0.00 0.00 179.01 178.70 3hw5 h LYS 134 N 0.00 0.63 0.00 2.33 1.79 -0.56 -2.34 116.57 118.42 3hw5 h LYS 134 Ca 0.41 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 3hw5 h LYS 134 Cb 0.63 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3hw5 h LYS 134 CO -0.88 0.89 -0.03 0.00 -1.08 0.00 0.00 179.45 178.35 3hw5 h ALA 135 N 0.72 1.07 0.28 3.86 0.00 -0.56 -0.26 119.26 124.37 3hw5 h ALA 135 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hw5 h ALA 135 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hw5 h ALA 135 CO 0.05 0.04 -0.13 -0.97 0.00 0.00 0.00 179.25 178.24 3hw5 h ASN 136 N 0.00 -0.32 0.29 0.00 -0.73 -0.65 -3.33 115.58 110.84 3hw5 h ASN 136 Ca -0.00 -0.20 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 3hw5 h ASN 136 Cb 0.29 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.97 3hw5 h ASN 136 CO 0.00 0.16 -0.14 0.50 -0.37 0.00 0.00 177.43 177.59 3hw5 h LYS 137 N -0.94 -0.37 0.00 6.67 3.64 -1.07 -3.11 116.57 121.39 3hw5 h LYS 137 Ca -0.04 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hw5 h LYS 137 Cb 0.50 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hw5 h LYS 137 CO 0.06 -0.22 0.00 0.44 -2.27 0.00 0.00 179.45 177.46 3hw5 n ILE 138 N -5.03 1.21 -4.19 2.00 -5.35 -0.14 -4.75 119.36 103.12 3hw5 n ILE 138 Ca -0.05 0.30 -0.33 0.00 -0.27 0.00 0.00 62.75 62.40 3hw5 n ILE 138 Cb 0.17 -1.13 -0.07 0.00 -1.74 0.00 0.00 39.64 36.87 3hw5 n ILE 138 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hw5 n LYS 139 N -1.46 -0.77 0.00 6.28 4.01 -1.18 -4.87 118.16 120.17 3hw5 n LYS 139 Ca 0.03 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 3hw5 n LYS 139 Cb 0.11 -3.11 0.00 0.00 -0.51 0.00 0.00 35.03 31.51 3hw5 n LYS 139 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hw5 n SER 140 N -2.54 0.00 0.00 4.39 3.41 -1.26 -4.94 113.62 112.69 3hw5 n SER 140 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3hw5 n SER 140 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3hw5 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw5 n GLU 141 N 0.00 0.00 0.00 4.33 0.00 -1.26 -4.91 120.64 118.80 3hw5 n GLU 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hw5 n GLU 141 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3hw5 n GLU 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hw5 n LYS 142 N 0.00 2.07 -2.81 3.44 5.02 -1.26 -4.94 118.16 119.67 3hw5 n LYS 142 Ca 0.00 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3hw5 n LYS 142 Cb 0.00 -0.23 -0.04 0.00 -0.02 0.00 0.00 35.03 34.74 3hw5 n LYS 142 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hw5 s THR 143 N -0.30 4.42 0.40 -0.18 2.01 -1.26 -4.38 115.64 116.35 3hw5 s THR 143 Ca 0.00 0.61 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 3hw5 s THR 143 Cb 0.00 -4.49 -0.08 0.00 0.01 0.00 0.00 72.50 67.94 3hw5 s THR 143 CO 0.00 -0.96 1.21 -2.28 -0.69 0.00 0.00 174.62 171.90 3hw5 s HIS 144 N 3.89 2.99 -0.03 4.92 2.46 -0.49 -4.74 115.29 124.29 3hw5 s HIS 144 Ca 0.35 1.51 0.05 0.00 0.47 0.00 0.00 55.06 57.45 3hw5 s HIS 144 Cb -0.11 -3.48 -0.02 0.00 -0.13 0.00 0.00 32.58 28.84 3hw5 s HIS 144 CO 0.24 -1.55 -0.19 0.42 -2.47 0.00 0.00 174.74 171.19 3hw5 s ILE 145 N -1.36 2.67 -0.09 0.89 1.01 -1.26 -0.13 121.20 122.92 3hw5 s ILE 145 Ca 0.57 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3hw5 s ILE 145 Cb -0.33 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.18 3hw5 s ILE 145 CO 0.42 0.57 0.11 -2.28 0.00 0.00 0.00 174.94 173.76 3hw5 s HIS 146 N -0.70 -0.01 -0.07 3.97 2.46 -0.40 -1.37 115.29 119.18 3hw5 s HIS 146 Ca 0.11 0.24 -0.01 0.00 0.47 0.00 0.00 55.06 55.87 3hw5 s HIS 146 Cb -0.10 -0.45 -0.03 0.00 -0.13 0.00 0.00 32.58 31.86 3hw5 s HIS 146 CO 0.00 -0.31 0.01 0.42 -2.47 0.00 0.00 174.74 172.39 3hw5 s ILE 147 N 2.21 4.31 0.05 0.89 -1.09 0.56 -1.02 121.20 127.12 3hw5 s ILE 147 Ca 0.04 -0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.24 3hw5 s ILE 147 Cb -0.13 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3hw5 s ILE 147 CO -0.06 0.56 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.62 3hw5 s PHE 148 N -0.93 2.09 0.46 3.97 0.40 0.24 -1.38 117.98 122.84 3hw5 s PHE 148 Ca 0.15 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.15 3hw5 s PHE 148 Cb -0.11 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.18 3hw5 s PHE 148 CO 0.04 0.13 0.40 -1.54 0.70 0.00 0.00 175.22 174.95 3hw5 s SER 149 N -1.32 4.89 0.04 1.36 1.04 -0.42 -0.76 113.70 118.53 3hw5 s SER 149 Ca 0.10 -0.91 0.27 0.00 0.48 0.00 0.00 55.95 55.89 3hw5 s SER 149 Cb -0.10 -0.25 0.92 0.00 0.10 0.00 0.00 66.02 66.69 3hw5 s SER 149 CO 0.02 -0.81 1.73 0.49 0.98 0.00 0.00 173.24 175.65 3hw5 n PHE 150 N -1.62 0.16 1.60 5.02 3.01 -1.10 -3.15 117.46 121.38 3hw5 n PHE 150 Ca 0.03 0.05 0.15 0.00 1.01 0.00 0.00 57.45 58.68 3hw5 n PHE 150 Cb 0.63 -0.50 0.67 0.00 -0.01 0.00 0.00 39.48 40.27 3hw5 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw5 n THR 151 N -1.65 0.00 0.00 4.37 -2.24 -1.26 -3.85 114.28 109.65 3hw5 n THR 151 Ca 0.06 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hw5 n THR 151 Cb 0.36 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3hw5 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw5 n GLY 152 N 1.17 0.28 3.86 3.38 0.00 -1.19 -5.02 105.19 107.67 3hw5 n GLY 152 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3hw5 n GLY 152 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hw5 s GLU 153 N -0.82 3.35 0.08 1.61 -1.05 -1.26 -4.87 118.70 115.74 3hw5 s GLU 153 Ca 0.00 0.76 -0.09 0.00 -0.15 0.00 0.00 54.97 55.49 3hw5 s GLU 153 Cb 0.00 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 3hw5 s GLU 153 CO 0.00 -0.76 0.20 -1.83 0.95 0.00 0.00 175.26 173.83 3hw5 s GLU 154 N -5.17 0.84 -0.13 -4.83 -1.05 -1.26 -1.31 118.70 105.80 3hw5 s GLU 154 Ca 0.56 -0.90 -0.11 0.00 -0.15 0.00 0.00 54.97 54.37 3hw5 s GLU 154 Cb -0.12 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3hw5 s GLU 154 CO 0.54 -0.27 0.33 1.41 0.95 0.00 0.00 175.26 178.23 3hw5 s MET 155 N -3.68 0.38 0.08 -4.83 1.75 -0.48 -4.98 119.30 107.54 3hw5 s MET 155 Ca 0.03 0.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.00 3hw5 s MET 155 Cb 0.04 0.17 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 3hw5 s MET 155 CO -0.10 -0.05 -0.13 0.00 -0.65 0.00 0.00 175.02 174.08 3hw5 s ALA 156 N 0.26 1.20 -0.18 4.11 0.00 -1.26 -0.32 121.76 125.56 3hw5 s ALA 156 Ca -0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 51.96 50.47 3hw5 s ALA 156 Cb -0.03 -0.07 -0.19 0.00 0.00 0.00 0.00 23.12 22.83 3hw5 s ALA 156 CO -0.00 0.12 1.41 2.41 0.00 0.00 0.00 175.76 179.69 3hw5 n THR 157 N 1.07 0.06 -2.22 0.00 -1.04 -0.47 -1.43 114.28 110.25 3hw5 n THR 157 Ca -0.20 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 3hw5 n THR 157 Cb 0.55 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 3hw5 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw5 n LYS 158 N 3.16 -1.80 -3.82 -2.82 5.02 -1.26 -1.28 118.16 115.36 3hw5 n LYS 158 Ca 0.24 0.88 -0.30 0.00 -2.02 0.00 0.00 58.31 57.11 3hw5 n LYS 158 Cb 0.07 -5.45 -0.01 0.00 -0.02 0.00 0.00 35.03 29.62 3hw5 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw5 n ALA 159 N -1.45 -1.18 -3.62 7.82 0.00 -0.51 -4.94 120.51 116.63 3hw5 n ALA 159 Ca -0.20 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 3hw5 n ALA 159 Cb 0.64 -3.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.56 3hw5 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw5 s ASP 160 N -3.05 4.95 0.00 0.00 2.15 -0.41 -4.99 116.67 115.32 3hw5 s ASP 160 Ca 0.59 -1.31 0.28 0.00 0.43 0.00 0.00 52.55 52.54 3hw5 s ASP 160 Cb -0.32 -1.73 1.06 0.00 -0.30 0.00 0.00 42.92 41.63 3hw5 s ASP 160 CO 0.73 -0.28 1.75 -1.22 -0.17 0.00 0.00 175.17 175.98 3hw5 n TYR 161 N 4.63 0.00 0.00 -5.34 4.02 -1.26 -4.54 117.16 114.67 3hw5 n TYR 161 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3hw5 n TYR 161 Cb 0.43 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 3hw5 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw5 n THR 162 N -0.25 0.00 -3.13 -0.72 -1.04 -1.26 -4.76 114.28 103.11 3hw5 n THR 162 Ca 0.17 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.92 3hw5 n THR 162 Cb 0.33 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.82 3hw5 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw5 s LEU 163 N 0.00 3.91 0.84 -4.42 1.43 -1.26 -5.10 118.68 114.08 3hw5 s LEU 163 Ca 0.00 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 3hw5 s LEU 163 Cb 0.00 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.75 3hw5 s LEU 163 CO 0.00 -0.36 1.12 1.51 0.23 0.00 0.00 176.35 178.86 3hw5 s ASP 164 N -3.79 4.15 0.48 2.29 3.84 -1.26 -4.84 116.67 117.53 3hw5 s ASP 164 Ca 0.44 1.09 0.12 0.00 -0.00 0.00 0.00 52.55 54.20 3hw5 s ASP 164 Cb -0.10 -1.74 1.11 0.00 -1.38 0.00 0.00 42.92 40.81 3hw5 s ASP 164 CO 0.37 -2.16 2.11 -0.33 -0.00 0.00 0.00 175.17 175.16 3hw5 h GLU 165 N -1.23 0.21 -0.29 2.11 4.39 -1.98 -2.10 114.58 115.68 3hw5 h GLU 165 Ca -0.48 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.03 3hw5 h GLU 165 Cb 1.30 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3hw5 h GLU 165 CO 0.61 0.14 -0.48 1.49 -1.16 0.00 0.00 179.01 179.61 3hw5 h GLU 166 N 0.22 0.85 -0.27 2.33 4.81 -1.99 -0.14 114.58 120.38 3hw5 h GLU 166 Ca 0.06 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3hw5 h GLU 166 Cb -0.02 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hw5 h GLU 166 CO -0.01 1.15 0.04 0.77 -0.73 0.00 0.00 179.01 180.23 3hw5 h SER 167 N 0.62 0.44 -0.55 1.04 0.02 -1.87 -2.38 113.55 110.88 3hw5 h SER 167 Ca 0.02 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 3hw5 h SER 167 Cb 1.09 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3hw5 h SER 167 CO 0.11 0.60 0.21 0.03 -1.14 0.00 0.00 176.83 176.64 3hw5 h ARG 168 N 0.27 0.87 -0.56 3.45 3.08 -1.36 -2.37 114.38 117.76 3hw5 h ARG 168 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3hw5 h ARG 168 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hw5 h ARG 168 CO 0.01 0.73 0.28 0.00 -1.07 0.00 0.00 179.97 179.92 3hw5 h ALA 169 N 1.38 1.44 -0.47 0.04 0.00 -0.85 0.48 119.26 121.28 3hw5 h ALA 169 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hw5 h ALA 169 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hw5 h ALA 169 CO -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 3hw5 h ARG 170 N 0.78 0.84 -0.01 0.00 3.08 -0.97 -0.20 114.38 117.91 3hw5 h ARG 170 Ca 0.20 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hw5 h ARG 170 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3hw5 h ARG 170 CO -0.03 0.90 0.00 0.82 -1.07 0.00 0.00 179.97 180.59 3hw5 h ILE 171 N 0.70 1.20 -0.60 2.04 2.04 -1.13 -2.22 117.51 119.53 3hw5 h ILE 171 Ca 0.13 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3hw5 h ILE 171 Cb 0.53 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3hw5 h ILE 171 CO 0.03 0.16 0.40 0.11 0.00 0.00 0.00 178.15 178.84 3hw5 h LYS 172 N -0.24 0.73 -0.29 2.37 1.57 -0.78 -1.36 116.57 118.57 3hw5 h LYS 172 Ca 0.00 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 3hw5 h LYS 172 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hw5 h LYS 172 CO 0.00 0.48 -0.45 1.15 -0.57 0.00 0.00 179.45 180.06 3hw5 h THR 173 N 0.75 1.29 -0.61 -0.16 2.02 -0.96 -0.97 112.91 114.27 3hw5 h THR 173 Ca 0.23 -1.64 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 3hw5 h THR 173 Cb 0.02 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3hw5 h THR 173 CO -0.06 0.53 0.07 -0.09 0.37 0.00 0.00 175.52 176.34 3hw5 h ARG 174 N 0.59 1.03 -0.26 6.66 9.65 -0.95 -1.55 114.38 129.55 3hw5 h ARG 174 Ca 0.04 -0.29 -0.20 0.00 -1.10 0.00 0.00 59.98 58.43 3hw5 h ARG 174 Cb 1.00 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3hw5 h ARG 174 CO 0.10 0.98 -0.60 -0.07 2.80 0.00 0.00 179.97 183.17 3hw5 h LEU 175 N 0.93 0.98 -0.67 3.80 3.38 -1.09 -1.38 115.31 121.26 3hw5 h LEU 175 Ca 0.18 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.68 3hw5 h LEU 175 Cb 0.47 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3hw5 h LEU 175 CO 0.02 1.36 0.32 0.15 0.09 0.00 0.00 178.44 180.37 3hw5 h PHE 176 N 0.64 0.58 -0.44 1.13 3.57 -1.09 -1.43 116.94 119.90 3hw5 h PHE 176 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hw5 h PHE 176 Cb 1.22 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3hw5 h PHE 176 CO 0.08 0.21 0.23 1.15 -2.23 0.00 0.00 178.31 177.75 3hw5 h THR 177 N 0.56 1.17 -0.33 4.41 2.02 -0.85 -0.90 112.91 118.99 3hw5 h THR 177 Ca 0.32 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3hw5 h THR 177 Cb 0.33 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3hw5 h THR 177 CO -0.26 0.18 0.09 0.40 0.37 0.00 0.00 175.52 176.31 3hw5 h ILE 178 N 0.57 0.88 -0.37 3.11 2.04 -1.15 -0.39 117.51 122.21 3hw5 h ILE 178 Ca 0.15 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3hw5 h ILE 178 Cb 0.09 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3hw5 h ILE 178 CO -0.02 0.04 0.23 -0.09 0.00 0.00 0.00 178.15 178.31 3hw5 h ARG 179 N 0.23 0.45 -0.01 2.37 2.43 -0.97 -1.52 114.38 117.34 3hw5 h ARG 179 Ca 0.15 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3hw5 h ARG 179 Cb 0.14 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3hw5 h ARG 179 CO -0.18 0.30 -0.42 0.37 -1.51 0.00 0.00 179.97 178.53 3hw5 h GLN 180 N 0.46 -0.55 -0.55 0.20 4.15 -0.92 0.32 115.11 118.23 3hw5 h GLN 180 Ca 0.14 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3hw5 h GLN 180 Cb -0.02 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3hw5 h GLN 180 CO -0.05 -0.36 0.25 0.93 -1.93 0.00 0.00 178.83 177.67 3hw5 h GLU 181 N -0.57 0.77 0.27 1.69 5.08 -0.92 -0.06 114.58 120.84 3hw5 h GLU 181 Ca 0.05 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hw5 h GLU 181 Cb 0.65 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hw5 h GLU 181 CO -0.32 0.60 -0.13 0.52 -1.00 0.00 0.00 179.01 178.68 3hw5 h MET 182 N 0.77 -0.35 -0.36 2.33 2.86 -1.03 -2.88 114.93 116.27 3hw5 h MET 182 Ca 0.19 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3hw5 h MET 182 Cb 0.09 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3hw5 h MET 182 CO -0.02 -0.09 0.24 0.00 1.06 0.00 0.00 176.91 178.10 3hw5 h ALA 183 N 0.06 1.78 0.00 6.32 0.00 -0.14 -0.42 119.26 126.87 3hw5 h ALA 183 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hw5 h ALA 183 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hw5 h ALA 183 CO 0.06 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.17 3hw5 h SER 184 N 0.46 0.00 -0.35 0.00 4.64 -1.03 -2.82 113.55 114.44 3hw5 h SER 184 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hw5 h SER 184 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hw5 h SER 184 CO -0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 3hw5 n ARG 185 N -2.31 2.35 -1.52 4.77 1.74 -0.32 -4.97 116.66 116.39 3hw5 n ARG 185 Ca 0.03 -2.03 -0.03 0.00 -0.77 0.00 0.00 57.85 55.05 3hw5 n ARG 185 Cb 0.31 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 3hw5 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw5 n GLY 186 N 0.91 0.46 0.00 -0.13 0.00 -0.81 -4.65 105.19 100.97 3hw5 n GLY 186 Ca 0.14 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.35 3hw5 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw5 n LEU 187 N -0.44 0.23 -0.04 0.99 4.32 -0.33 -4.70 117.00 117.03 3hw5 n LEU 187 Ca -0.04 -0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 55.48 3hw5 n LEU 187 Cb 0.29 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.01 3hw5 n LEU 187 CO 0.05 0.06 0.57 -0.25 -1.22 0.00 0.00 177.39 176.60 3hw5 h TRP 188 N 0.00 0.32 -0.90 -1.77 2.91 -1.85 -2.93 115.95 111.73 3hw5 h TRP 188 Ca 0.00 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 59.95 3hw5 h TRP 188 Cb 0.22 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 28.76 3hw5 h TRP 188 CO 0.00 0.73 0.59 -0.44 -1.03 0.00 0.00 178.44 178.30 3hw5 h ASP 189 N -0.19 0.98 0.21 2.65 3.32 -1.91 0.76 116.42 122.24 3hw5 h ASP 189 Ca 0.01 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3hw5 h ASP 189 Cb 0.70 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 40.06 3hw5 h ASP 189 CO 0.03 0.67 -1.36 -1.28 -1.72 0.00 0.00 179.24 175.58 3hw5 h SER 190 N 1.14 0.85 -0.32 6.45 0.87 -1.89 -1.26 113.55 119.39 3hw5 h SER 190 Ca 0.36 -0.85 0.07 0.00 -1.23 0.00 0.00 61.79 60.14 3hw5 h SER 190 Cb 0.01 -0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 61.62 3hw5 h SER 190 CO -0.11 1.65 -0.21 0.15 -0.53 0.00 0.00 176.83 177.79 3hw5 h PHE 191 N 0.21 -0.54 -0.14 2.24 3.57 -1.29 -1.32 116.94 119.67 3hw5 h PHE 191 Ca -0.22 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3hw5 h PHE 191 Cb 2.05 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 41.01 3hw5 h PHE 191 CO 0.12 -0.29 -0.36 -0.09 -2.23 0.00 0.00 178.31 175.46 3hw5 h ARG 192 N -0.17 -0.42 0.00 1.11 2.43 -0.83 -2.93 114.38 113.56 3hw5 h ARG 192 Ca 0.16 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3hw5 h ARG 192 Cb 0.43 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hw5 h ARG 192 CO -0.42 -0.28 -0.09 -0.56 -1.51 0.00 0.00 179.97 177.11 3hw5 h GLN 193 N -0.44 0.00 0.00 0.20 3.07 -0.89 -3.01 115.11 114.04 3hw5 h GLN 193 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 3hw5 h GLN 193 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 3hw5 h GLN 193 CO -0.38 0.09 0.00 -1.13 0.09 0.00 0.00 178.83 177.50 3hw5 n SER 194 N -3.55 0.53 0.06 0.06 3.41 -0.53 -4.33 113.62 109.29 3hw5 n SER 194 Ca -0.02 0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 59.04 3hw5 n SER 194 Cb 0.21 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3hw5 n SER 194 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hw5 h GLU 195 N 0.00 -0.34 0.00 4.33 4.81 -1.59 -3.43 114.58 118.36 3hw5 h GLU 195 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3hw5 h GLU 195 Cb 0.61 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3hw5 h GLU 195 CO 0.00 -0.23 0.00 -2.13 -0.73 0.00 0.00 179.01 175.92 3hw5 n ARG 196 N -5.35 0.00 0.00 1.92 0.63 -1.26 -5.15 116.66 107.45 3hw5 n ARG 196 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3hw5 n ARG 196 Cb 0.26 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.17 3hw5 n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53