#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 2.43 0.96 1.53 2.96 -1.26 -4.98 118.68 120.32 3hw5 s LEU -2 Ca 0.00 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 52.61 3hw5 s LEU -2 Cb 0.00 -1.11 0.17 0.00 0.50 0.00 0.00 46.19 45.75 3hw5 s LEU -2 CO 0.00 -0.25 1.19 -0.83 -1.32 0.00 0.00 176.35 175.14 3hw5 s GLY -1 N 1.45 1.64 0.20 7.98 0.00 -1.26 -5.06 107.32 112.25 3hw5 s GLY -1 Ca -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.91 3hw5 s GLY -1 CO -0.07 -0.14 0.24 -1.35 0.00 0.00 0.00 173.10 171.78 3hw5 s SER 0 N -4.34 5.93 0.24 1.64 1.04 -1.26 -4.97 113.70 111.98 3hw5 s SER 0 Ca 0.68 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 57.06 3hw5 s SER 0 Cb -0.10 -1.66 0.27 0.00 0.10 0.00 0.00 66.02 64.63 3hw5 s SER 0 CO 0.53 0.01 1.66 -0.03 0.98 0.00 0.00 173.24 176.39 3hw5 h MET 1 N 1.85 0.67 -0.30 4.02 4.05 -1.97 -2.15 114.93 121.10 3hw5 h MET 1 Ca -0.49 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 58.66 3hw5 h MET 1 Cb 1.21 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 3hw5 h MET 1 CO 0.64 0.84 0.15 1.49 0.23 0.00 0.00 176.91 180.26 3hw5 h GLU 2 N 0.59 0.43 -0.99 0.39 4.81 -1.92 0.13 114.58 118.02 3hw5 h GLU 2 Ca 0.08 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3hw5 h GLU 2 Cb 0.70 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3hw5 h GLU 2 CO 0.05 0.40 0.65 -0.44 -0.73 0.00 0.00 179.01 178.94 3hw5 h ASP 3 N 0.35 1.08 -0.39 1.04 3.32 -1.93 -0.76 116.42 119.13 3hw5 h ASP 3 Ca 0.10 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3hw5 h ASP 3 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3hw5 h ASP 3 CO -0.01 0.74 0.11 0.15 -1.72 0.00 0.00 179.24 178.51 3hw5 h PHE 4 N 1.26 0.63 -0.33 4.55 3.57 -0.67 -1.40 116.94 124.55 3hw5 h PHE 4 Ca 0.39 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3hw5 h PHE 4 Cb -0.00 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3hw5 h PHE 4 CO -0.00 0.60 0.19 0.28 -2.23 0.00 0.00 178.31 177.15 3hw5 h VAL 5 N 0.48 1.12 0.00 1.41 2.07 -0.29 0.22 116.25 121.26 3hw5 h VAL 5 Ca 0.12 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3hw5 h VAL 5 Cb 0.28 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3hw5 h VAL 5 CO -0.00 0.12 -0.19 0.03 0.02 0.00 0.00 177.57 177.56 3hw5 h ARG 6 N 0.42 0.00 0.13 1.57 3.08 -0.99 -2.21 114.38 116.39 3hw5 h ARG 6 Ca 0.12 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.86 3hw5 h ARG 6 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hw5 h ARG 6 CO -0.02 0.19 -1.51 1.96 -1.07 0.00 0.00 179.97 179.52 3hw5 h GLN 7 N 0.00 0.28 0.00 0.04 4.20 -0.91 -3.41 115.11 115.31 3hw5 h GLN 7 Ca -0.00 -0.48 -0.23 0.00 0.06 0.00 0.00 58.65 58.00 3hw5 h GLN 7 Cb 0.68 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 3hw5 h GLN 7 CO 0.02 1.16 -1.35 0.00 -0.67 0.00 0.00 178.83 178.00 3hw5 s PHE 9 N -2.73 3.07 0.44 0.00 0.40 -0.84 -5.08 117.98 113.24 3hw5 s PHE 9 Ca -0.02 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.09 3hw5 s PHE 9 Cb 0.09 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.93 3hw5 s PHE 9 CO 0.81 0.48 1.42 1.21 0.70 0.00 0.00 175.22 179.85 3hw5 s ASN 10 N -2.06 5.94 0.50 1.36 2.47 -1.26 -4.74 114.94 117.15 3hw5 s ASN 10 Ca 0.24 2.91 0.16 0.00 0.42 0.00 0.00 52.86 56.59 3hw5 s ASN 10 Cb -0.12 -2.65 1.20 0.00 -1.45 0.00 0.00 41.25 38.22 3hw5 s ASN 10 CO 0.16 -1.13 2.10 -0.65 -3.72 0.00 0.00 177.10 173.87 3hw5 h PRO 11 N 2.40 0.00 -0.28 0.43 0.11 -1.97 -0.71 132.00 131.98 3hw5 h PRO 11 Ca -0.51 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3hw5 h PRO 11 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3hw5 h PRO 11 CO 0.61 0.05 -0.18 1.98 -0.21 0.00 0.00 178.00 180.26 3hw5 h MET 12 N 0.00 0.49 -0.06 1.05 4.05 -1.99 -0.60 114.93 117.87 3hw5 h MET 12 Ca -0.00 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 3hw5 h MET 12 Cb 0.10 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3hw5 h MET 12 CO 0.01 0.65 0.01 0.82 0.23 0.00 0.00 176.91 178.63 3hw5 h ILE 13 N 0.45 1.21 -0.71 1.77 1.08 -1.58 -1.58 117.51 118.15 3hw5 h ILE 13 Ca 0.08 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 3hw5 h ILE 13 Cb 0.57 1.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 3hw5 h ILE 13 CO 0.04 0.18 0.46 0.58 -0.69 0.00 0.00 178.15 178.71 3hw5 h VAL 14 N -0.15 1.15 -0.55 1.67 2.07 -1.00 0.26 116.25 119.71 3hw5 h VAL 14 Ca 0.02 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3hw5 h VAL 14 Cb 0.27 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3hw5 h VAL 14 CO 0.00 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.71 3hw5 h GLU 15 N 0.92 0.91 -0.28 1.57 4.81 -1.09 -0.18 114.58 121.25 3hw5 h GLU 15 Ca 0.27 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 3hw5 h GLU 15 Cb -0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3hw5 h GLU 15 CO -0.08 0.88 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.71 3hw5 h LEU 16 N 0.85 0.60 -0.57 1.64 3.38 -0.77 -1.38 115.31 119.07 3hw5 h LEU 16 Ca 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hw5 h LEU 16 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hw5 h LEU 16 CO 0.02 0.87 0.31 0.00 0.09 0.00 0.00 178.44 179.74 3hw5 h ALA 17 N 1.17 0.73 0.21 1.53 0.00 -0.64 0.05 119.26 122.31 3hw5 h ALA 17 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hw5 h ALA 17 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hw5 h ALA 17 CO 0.06 0.25 -0.21 0.93 0.00 0.00 0.00 179.25 180.28 3hw5 h GLU 18 N 0.77 -0.43 -0.57 0.00 5.08 -0.81 -1.36 114.58 117.26 3hw5 h GLU 18 Ca 0.20 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 3hw5 h GLU 18 Cb 0.04 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 3hw5 h GLU 18 CO -0.03 -0.29 -0.10 0.87 -1.00 0.00 0.00 179.01 178.46 3hw5 h LYS 19 N -0.45 0.03 -0.56 2.33 1.79 -1.14 -0.74 116.57 117.84 3hw5 h LYS 19 Ca -0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3hw5 h LYS 19 Cb 0.42 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 3hw5 h LYS 19 CO -0.05 0.02 0.37 0.00 -1.08 0.00 0.00 179.45 178.71 3hw5 h ALA 20 N 1.55 1.62 0.05 3.86 0.00 -0.62 -1.95 119.26 123.77 3hw5 h ALA 20 Ca 0.28 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 3hw5 h ALA 20 Cb 0.44 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hw5 h ALA 20 CO -0.56 0.34 -1.10 0.52 0.00 0.00 0.00 179.25 178.46 3hw5 h MET 21 N 0.74 0.55 -0.48 0.00 2.86 -0.68 -3.31 114.93 114.61 3hw5 h MET 21 Ca 0.21 -0.66 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3hw5 h MET 21 Cb -0.06 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3hw5 h MET 21 CO -0.05 1.27 0.15 0.87 1.06 0.00 0.00 176.91 180.21 3hw5 h LYS 22 N 0.28 0.71 0.00 1.72 1.57 -0.62 -0.23 116.57 120.01 3hw5 h LYS 22 Ca -0.13 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3hw5 h LYS 22 Cb 1.75 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3hw5 h LYS 22 CO 0.20 0.62 0.00 -0.85 -0.57 0.00 0.00 179.45 178.86 3hw5 n GLU 23 N -4.32 0.62 -0.17 3.15 0.28 -0.78 0.21 120.64 119.63 3hw5 n GLU 23 Ca 0.04 0.02 0.09 0.00 -0.16 0.00 0.00 57.16 57.15 3hw5 n GLU 23 Cb 0.19 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.73 3hw5 n GLU 23 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hw5 n TYR 24 N -1.11 0.44 -1.02 -1.84 4.02 -0.44 -4.98 117.16 112.23 3hw5 n TYR 24 Ca 0.16 -0.30 -0.01 0.00 -0.01 0.00 0.00 57.90 57.75 3hw5 n TYR 24 Cb 0.13 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3hw5 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw5 n GLY 25 N 1.06 0.14 3.77 2.72 0.00 0.56 -5.01 105.19 108.43 3hw5 n GLY 25 Ca 0.15 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.72 3.55 -0.16 1.61 2.02 -0.23 -4.90 118.70 118.86 3hw5 s GLU 26 Ca 0.00 1.73 -0.06 0.00 0.02 0.00 0.00 54.97 56.67 3hw5 s GLU 26 Cb 0.00 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 3hw5 s GLU 26 CO 0.00 -0.71 0.02 0.34 0.02 0.00 0.00 175.26 174.92 3hw5 s ASP 27 N -1.51 5.29 0.34 -0.19 3.68 -1.26 -3.89 116.67 119.13 3hw5 s ASP 27 Ca 0.68 0.01 0.05 0.00 2.13 0.00 0.00 52.55 55.42 3hw5 s ASP 27 Cb -0.27 -1.86 0.69 0.00 -1.45 0.00 0.00 42.92 40.02 3hw5 s ASP 27 CO 0.32 0.19 1.92 -0.65 0.13 0.00 0.00 175.17 177.08 3hw5 h PRO 28 N 6.57 0.81 0.00 4.34 0.11 -1.93 -2.09 132.00 139.80 3hw5 h PRO 28 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hw5 h PRO 28 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hw5 h PRO 28 CO 0.66 0.53 0.00 0.87 -0.21 0.00 0.00 178.00 179.86 3hw5 h LYS 29 N 0.83 0.00 0.00 1.05 1.57 -1.98 -3.28 116.57 114.76 3hw5 h LYS 29 Ca 0.37 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.85 3hw5 h LYS 29 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3hw5 h LYS 29 CO -0.14 0.00 -1.84 -0.89 -0.57 0.00 0.00 179.45 176.01 3hw5 n ILE 30 N -3.00 1.52 -2.74 1.86 -0.00 -0.93 -4.66 119.36 111.40 3hw5 n ILE 30 Ca 0.00 -0.17 -0.43 0.00 -0.00 0.00 0.00 62.75 62.15 3hw5 n ILE 30 Cb 0.25 -2.04 0.00 0.00 -0.00 0.00 0.00 39.64 37.85 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 -4.36 3.75 0.09 0.38 -0.58 -0.83 -4.80 120.64 114.29 3hw5 n GLU 31 Ca -0.39 -3.94 -0.14 0.00 -0.42 0.00 0.00 57.16 52.27 3hw5 n GLU 31 Cb 0.73 -2.82 -0.10 0.00 -0.57 0.00 0.00 31.44 28.68 3hw5 n GLU 31 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3hw5 h THR 32 N 3.86 1.49 -0.13 2.62 2.02 -1.83 -2.04 112.91 118.91 3hw5 h THR 32 Ca 0.31 -2.90 -0.14 0.00 0.77 0.00 0.00 66.41 64.45 3hw5 h THR 32 Cb 0.71 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 3hw5 h THR 32 CO 1.41 0.85 -0.51 0.78 0.37 0.00 0.00 175.52 178.41 3hw5 h ASN 33 N 0.11 0.38 -0.68 4.18 2.35 -1.89 -1.80 115.58 118.22 3hw5 h ASN 33 Ca -0.10 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 3hw5 h ASN 33 Cb 1.82 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 40.05 3hw5 h ASN 33 CO 0.18 0.83 0.20 0.50 -1.65 0.00 0.00 177.43 177.49 3hw5 h LYS 34 N 0.28 1.08 -0.43 0.81 3.64 -1.91 -1.45 116.57 118.58 3hw5 h LYS 34 Ca 0.01 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3hw5 h LYS 34 Cb 0.99 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 3hw5 h LYS 34 CO 0.09 0.94 0.14 0.35 -2.27 0.00 0.00 179.45 178.69 3hw5 h PHE 35 N 1.04 0.69 -0.41 1.91 -0.00 -0.99 -0.18 116.94 119.00 3hw5 h PHE 35 Ca 0.22 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 58.13 3hw5 h PHE 35 Cb 0.32 -0.20 -0.02 0.00 -0.00 0.00 0.00 35.95 36.05 3hw5 h PHE 35 CO 0.02 0.62 0.26 0.00 -0.00 0.00 0.00 178.31 179.22 3hw5 h ALA 36 N 0.99 0.52 -0.80 2.41 0.00 -1.23 -1.67 119.26 119.49 3hw5 h ALA 36 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hw5 h ALA 36 Cb 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hw5 h ALA 36 CO -0.01 0.00 0.33 0.00 0.00 0.00 0.00 179.25 179.58 3hw5 h ALA 37 N 1.13 1.08 -0.56 0.00 0.00 -0.99 -1.33 119.26 118.59 3hw5 h ALA 37 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hw5 h ALA 37 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3hw5 h ALA 37 CO -0.03 0.66 0.12 0.82 0.00 0.00 0.00 179.25 180.82 3hw5 h ILE 38 N 1.16 1.25 -0.76 0.00 2.04 -0.75 -0.79 117.51 119.65 3hw5 h ILE 38 Ca 0.27 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3hw5 h ILE 38 Cb 0.19 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hw5 h ILE 38 CO -0.03 0.34 0.38 0.00 0.00 0.00 0.00 178.15 178.84 3hw5 h THR 40 N 1.07 1.25 -0.29 0.00 2.02 -0.99 -0.49 112.91 115.48 3hw5 h THR 40 Ca 0.26 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3hw5 h THR 40 Cb 0.10 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3hw5 h THR 40 CO -0.04 0.26 0.18 -0.74 0.37 0.00 0.00 175.52 175.56 3hw5 h HIS 41 N 0.14 0.36 -0.32 3.16 6.17 -0.95 -0.36 115.15 123.35 3hw5 h HIS 41 Ca 0.06 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.18 3hw5 h HIS 41 Cb 0.38 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 3hw5 h HIS 41 CO 0.03 0.24 0.13 -0.07 0.71 0.00 0.00 177.93 178.97 3hw5 h LEU 42 N 0.38 0.16 -0.40 0.26 -0.00 -1.01 0.11 115.31 114.81 3hw5 h LEU 42 Ca 0.10 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 58.07 3hw5 h LEU 42 Cb -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 3hw5 h LEU 42 CO -0.02 0.13 0.10 -0.08 -0.00 0.00 0.00 178.44 178.57 3hw5 h GLU 43 N 0.28 0.24 -0.62 1.13 4.81 -0.59 -0.95 114.58 118.87 3hw5 h GLU 43 Ca 0.14 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hw5 h GLU 43 Cb 0.09 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3hw5 h GLU 43 CO -0.13 0.16 0.40 0.28 -0.73 0.00 0.00 179.01 178.99 3hw5 h VAL 44 N 0.24 1.11 -0.58 0.32 2.07 -0.63 -1.14 116.25 117.65 3hw5 h VAL 44 Ca 0.19 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hw5 h VAL 44 Cb 0.21 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3hw5 h VAL 44 CO -0.23 0.14 0.38 0.00 0.02 0.00 0.00 177.57 177.89 3hw5 h PHE 46 N 0.76 0.76 -0.10 0.00 0.04 -0.85 -2.83 116.94 114.72 3hw5 h PHE 46 Ca 0.22 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.77 3hw5 h PHE 46 Cb -0.06 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3hw5 h PHE 46 CO -0.04 0.62 -0.67 0.52 -0.60 0.00 0.00 178.31 178.14 3hw5 h MET 47 N 0.74 0.41 -0.72 1.51 2.86 -0.59 -3.15 114.93 115.99 3hw5 h MET 47 Ca 0.17 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3hw5 h MET 47 Cb 0.21 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3hw5 h MET 47 CO -0.01 0.93 0.31 -0.92 1.06 0.00 0.00 176.91 178.28 3hw5 h TYR 48 N 0.29 1.06 -4.23 -0.22 5.03 -0.64 -3.50 116.97 114.76 3hw5 h TYR 48 Ca -0.02 -0.06 -0.52 0.00 2.58 0.00 0.00 58.73 60.71 3hw5 h TYR 48 Cb 1.22 -0.32 0.14 0.00 1.55 0.00 0.00 36.73 39.32 3hw5 h TYR 48 CO 0.04 0.79 0.34 -1.12 -1.32 0.00 0.00 178.16 176.89 3hw5 s SER 49 N -6.42 4.24 0.00 -2.11 0.01 -1.09 -5.03 113.70 103.31 3hw5 s SER 49 Ca -0.11 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.25 3hw5 s SER 49 Cb 0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3hw5 s SER 49 CO 0.82 -2.22 0.00 -1.14 0.41 0.00 0.00 173.24 171.11 3hw5 n ARG 75 N -3.14 0.00 -4.20 12.44 0.63 -1.26 -4.98 116.66 116.15 3hw5 n ARG 75 Ca 0.11 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.69 3hw5 n ARG 75 Cb 0.52 -0.32 -0.09 0.00 0.45 0.00 0.00 32.46 33.01 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 3.25 -0.18 -0.14 0.40 -1.26 -0.99 117.98 119.06 3hw5 s PHE 76 Ca 0.00 0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 3hw5 s PHE 76 Cb 0.00 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 3hw5 s PHE 76 CO 0.00 0.39 0.26 -2.00 0.70 0.00 0.00 175.22 174.57 3hw5 s GLU 77 N -0.48 4.23 -0.23 0.44 2.56 0.93 -4.92 118.70 121.23 3hw5 s GLU 77 Ca 0.09 0.01 -0.21 0.00 0.00 0.00 0.00 54.97 54.87 3hw5 s GLU 77 Cb -0.12 -3.44 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 3hw5 s GLU 77 CO 0.02 0.23 0.63 0.42 -0.56 0.00 0.00 175.26 176.00 3hw5 s ILE 78 N 0.52 5.00 -0.16 -3.70 1.01 -1.26 -1.46 121.20 121.16 3hw5 s ILE 78 Ca 0.14 1.16 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 3hw5 s ILE 78 Cb -0.13 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 3hw5 s ILE 78 CO 0.03 0.06 -0.18 -0.38 0.00 0.00 0.00 174.94 174.47 3hw5 n ILE 79 N 4.97 0.87 -1.64 2.92 2.08 -0.46 -4.80 119.36 123.30 3hw5 n ILE 79 Ca -0.01 -0.27 -0.43 0.00 0.56 0.00 0.00 62.75 62.60 3hw5 n ILE 79 Cb 0.49 -1.44 -0.01 0.00 -0.75 0.00 0.00 39.64 37.94 3hw5 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw5 n GLU 80 N -3.40 1.72 0.00 0.38 4.07 -0.61 -2.43 120.64 120.35 3hw5 n GLU 80 Ca -0.30 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 3hw5 n GLU 80 Cb 0.75 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 3hw5 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw5 n GLY 81 N 1.00 2.97 3.87 8.31 0.00 -1.26 -5.02 105.19 115.06 3hw5 n GLY 81 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.41 3.53 0.03 1.61 0.52 -1.02 -4.98 118.95 118.22 3hw5 s ARG 82 Ca 0.00 0.70 -0.37 0.00 -0.52 0.00 0.00 55.73 55.53 3hw5 s ARG 82 Cb 0.00 -2.09 -0.17 0.00 0.52 0.00 0.00 34.95 33.22 3hw5 s ARG 82 CO 0.00 -0.60 1.40 -3.47 0.02 0.00 0.00 175.30 172.65 3hw5 n ASP 83 N -2.75 1.76 -0.35 0.23 2.03 -1.26 -4.82 116.55 111.39 3hw5 n ASP 83 Ca 0.06 1.11 0.14 0.00 0.52 0.00 0.00 54.79 56.62 3hw5 n ASP 83 Cb 0.54 -1.18 0.35 0.00 -0.72 0.00 0.00 41.12 40.11 3hw5 n ASP 83 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3hw5 h ARG 84 N 4.97 0.69 -0.05 -0.67 3.08 -1.95 -0.98 114.38 119.47 3hw5 h ARG 84 Ca -0.48 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3hw5 h ARG 84 Cb 1.33 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hw5 h ARG 84 CO 0.80 0.46 -0.00 1.15 -1.07 0.00 0.00 179.97 181.31 3hw5 h THR 85 N 0.71 1.27 -0.50 2.04 2.02 -2.00 -0.68 112.91 115.77 3hw5 h THR 85 Ca 0.58 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hw5 h THR 85 Cb 0.97 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 3hw5 h THR 85 CO -0.38 0.22 0.18 0.24 0.37 0.00 0.00 175.52 176.15 3hw5 h MET 86 N -0.23 0.73 -0.45 6.66 2.86 -1.85 -1.40 114.93 121.25 3hw5 h MET 86 Ca 0.01 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3hw5 h MET 86 Cb 0.36 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3hw5 h MET 86 CO 0.00 0.62 0.02 0.00 1.06 0.00 0.00 176.91 178.61 3hw5 h ALA 87 N 1.48 0.60 -0.32 6.32 0.00 -1.08 -0.86 119.26 125.40 3hw5 h ALA 87 Ca 0.17 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hw5 h ALA 87 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hw5 h ALA 87 CO -0.01 0.38 -0.18 -1.49 0.00 0.00 0.00 179.25 177.95 3hw5 h TRP 88 N 0.63 0.63 -0.49 0.00 4.06 -0.99 -1.10 115.95 118.69 3hw5 h TRP 88 Ca 0.13 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 3hw5 h TRP 88 Cb 0.47 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 3hw5 h TRP 88 CO 0.04 0.72 0.24 1.79 -3.56 0.00 0.00 178.44 177.67 3hw5 h THR 89 N 0.52 1.19 -0.29 1.49 1.35 -0.62 0.38 112.91 116.93 3hw5 h THR 89 Ca 0.08 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 3hw5 h THR 89 Cb 0.61 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3hw5 h THR 89 CO 0.04 0.21 0.15 1.62 -0.25 0.00 0.00 175.52 177.29 3hw5 h VAL 90 N 0.65 1.14 -0.03 6.82 3.04 -1.14 0.80 116.25 127.53 3hw5 h VAL 90 Ca 0.17 -0.39 0.01 0.00 -1.01 0.00 0.00 66.70 65.48 3hw5 h VAL 90 Cb 0.11 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 3hw5 h VAL 90 CO -0.02 0.14 -0.05 0.58 -1.01 0.00 0.00 177.57 177.21 3hw5 h VAL 91 N 0.34 0.85 -0.56 1.51 2.07 -1.00 -0.30 116.25 119.17 3hw5 h VAL 91 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3hw5 h VAL 91 Cb 0.10 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3hw5 h VAL 91 CO -0.01 0.00 0.36 0.78 0.02 0.00 0.00 177.57 178.72 3hw5 h ASN 92 N -0.08 0.62 -0.59 0.57 -0.26 -0.10 -2.57 115.58 113.16 3hw5 h ASN 92 Ca 0.03 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 3hw5 h ASN 92 Cb 0.12 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 3hw5 h ASN 92 CO -0.08 0.44 0.34 -1.28 -1.06 0.00 0.00 177.43 175.80 3hw5 h SER 93 N 0.73 0.72 0.00 5.81 0.87 -0.64 -2.83 113.55 118.21 3hw5 h SER 93 Ca 0.21 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hw5 h SER 93 Cb -0.06 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 3hw5 h SER 93 CO -0.06 0.58 0.00 -0.38 -0.53 0.00 0.00 176.83 176.45 3hw5 n ILE 94 N -4.61 0.00 0.00 2.23 5.41 -0.14 -2.53 119.36 119.72 3hw5 n ILE 94 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3hw5 n ILE 94 Cb 0.07 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 3hw5 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hw5 n ASN 96 N 0.00 0.58 0.03 0.00 0.23 -1.07 -3.82 115.26 111.20 3hw5 n ASN 96 Ca 0.00 -0.38 0.11 0.00 -0.53 0.00 0.00 54.58 53.79 3hw5 n ASN 96 Cb 0.00 1.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.79 3hw5 n ASN 96 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3hw5 n THR 97 N -1.91 0.18 -4.58 5.53 -1.04 -0.27 -4.82 114.28 107.37 3hw5 n THR 97 Ca 0.01 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 3hw5 n THR 97 Cb 0.44 0.16 -0.10 0.00 -1.82 0.00 0.00 70.33 69.01 3hw5 n THR 97 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hw5 s THR 98 N -3.27 1.37 -1.24 12.58 -4.23 -1.26 -5.06 115.64 114.54 3hw5 s THR 98 Ca 0.01 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.80 3hw5 s THR 98 Cb 0.14 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.67 3hw5 s THR 98 CO 0.83 0.00 1.93 0.61 -0.54 0.00 0.00 174.62 177.44 3hw5 n GLY 99 N -0.92 -1.31 3.68 3.99 0.00 -1.26 -4.48 105.19 104.88 3hw5 n GLY 99 Ca -0.07 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 3hw5 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hw5 n VAL 100 N -1.38 1.25 -1.58 1.61 0.31 -1.25 -4.89 118.33 112.40 3hw5 n VAL 100 Ca 0.10 -0.31 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 3hw5 n VAL 100 Cb 0.27 -1.53 0.02 0.00 -0.91 0.00 0.00 33.84 31.69 3hw5 n VAL 100 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hw5 n GLU 101 N 1.63 1.09 -2.33 5.55 4.07 -1.26 -4.40 120.64 125.00 3hw5 n GLU 101 Ca 0.09 0.40 -0.43 0.00 -0.06 0.00 0.00 57.16 57.17 3hw5 n GLU 101 Cb 0.33 -1.96 -0.02 0.00 -0.06 0.00 0.00 31.44 29.73 3hw5 n GLU 101 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3hw5 s LYS 102 N -2.08 4.01 0.46 5.31 -0.14 -1.26 -4.94 119.74 121.10 3hw5 s LYS 102 Ca 0.66 1.54 -0.23 0.00 -1.36 0.00 0.00 55.97 56.57 3hw5 s LYS 102 Cb -0.53 -3.88 -0.09 0.00 -1.68 0.00 0.00 37.83 31.64 3hw5 s LYS 102 CO 0.55 -1.00 1.03 -2.30 -0.76 0.00 0.00 175.35 172.86 3hw5 n PRO 103 N 7.15 1.33 0.10 -1.68 -0.02 -1.26 -4.91 135.00 135.71 3hw5 n PRO 103 Ca 0.15 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3hw5 n PRO 103 Cb 0.45 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 3hw5 n PRO 103 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hw5 h LYS 104 N 1.40 0.10 -5.51 -0.52 1.57 -1.92 -3.45 116.57 108.23 3hw5 h LYS 104 Ca -0.46 -0.09 -0.44 0.00 -1.87 0.00 0.00 60.65 57.80 3hw5 h LYS 104 Cb 1.34 0.02 -0.19 0.00 0.08 0.00 0.00 32.23 33.48 3hw5 h LYS 104 CO 0.56 0.79 -0.77 -0.06 -0.57 0.00 0.00 179.45 179.40 3hw5 s PHE 105 N -3.41 1.46 0.14 -1.35 0.08 -1.26 -5.10 117.98 108.54 3hw5 s PHE 105 Ca -0.02 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.19 3hw5 s PHE 105 Cb 0.12 -0.76 -0.10 0.00 -0.57 0.00 0.00 43.02 41.71 3hw5 s PHE 105 CO 0.79 0.16 1.60 -0.51 -0.10 0.00 0.00 175.22 177.17 3hw5 s LEU 106 N -2.41 4.37 0.00 -0.37 1.43 -1.26 -4.98 118.68 115.45 3hw5 s LEU 106 Ca 0.09 2.58 -0.02 0.00 -1.03 0.00 0.00 54.13 55.75 3hw5 s LEU 106 Cb -0.06 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.62 3hw5 s LEU 106 CO 0.03 -0.85 0.23 -0.81 0.23 0.00 0.00 176.35 175.19 3hw5 n PRO 107 N 4.49 0.02 -0.02 1.29 -0.04 -1.26 -5.01 135.00 134.46 3hw5 n PRO 107 Ca 0.15 -0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 62.97 3hw5 n PRO 107 Cb 0.39 -0.21 -0.14 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.10 2.02 -4.14 3.54 8.00 0.31 -3.96 116.55 119.22 3hw5 n ASP 108 Ca 0.03 0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 3hw5 n ASP 108 Cb 0.11 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 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 -6.88 1.71 -0.06 0.64 1.43 -0.77 -1.35 118.68 113.40 3hw5 s LEU 109 Ca -0.24 -1.19 0.05 0.00 -1.03 0.00 0.00 54.13 51.72 3hw5 s LEU 109 Cb 0.07 0.36 -0.00 0.00 0.03 0.00 0.00 46.19 46.65 3hw5 s LEU 109 CO 0.74 -0.74 -0.22 -0.47 0.23 0.00 0.00 176.35 175.89 3hw5 s TYR 110 N -4.04 2.19 -0.44 0.29 5.04 -0.53 -0.99 117.35 118.86 3hw5 s TYR 110 Ca 0.24 -0.71 -0.12 0.00 -2.44 0.00 0.00 57.07 54.03 3hw5 s TYR 110 Cb 0.07 -1.46 0.07 0.00 0.35 0.00 0.00 41.96 41.00 3hw5 s TYR 110 CO 0.02 -0.25 0.32 0.34 -1.34 0.00 0.00 175.55 174.63 3hw5 s ASP 111 N 0.06 5.87 0.46 4.32 3.68 -0.31 -0.05 116.67 130.69 3hw5 s ASP 111 Ca -0.08 -1.39 0.31 0.00 2.13 0.00 0.00 52.55 53.52 3hw5 s ASP 111 Cb -0.14 -2.08 1.44 0.00 -1.45 0.00 0.00 42.92 40.69 3hw5 s ASP 111 CO 0.04 -0.57 1.94 1.88 0.13 0.00 0.00 175.17 178.58 3hw5 h TYR 112 N 8.56 0.00 0.00 -5.34 0.05 -1.36 0.17 116.97 119.05 3hw5 h TYR 112 Ca -0.25 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.48 3hw5 h TYR 112 Cb 1.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 3hw5 h TYR 112 CO 0.62 0.00 -0.28 -0.22 -1.05 0.00 0.00 178.16 177.23 3hw5 h LYS 113 N 0.00 0.00 -0.01 4.88 3.64 -1.93 -3.34 116.57 119.81 3hw5 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hw5 h LYS 113 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hw5 h LYS 113 CO 0.00 0.93 -0.19 0.39 -2.27 0.00 0.00 179.45 178.31 3hw5 n GLU 114 N -4.58 0.90 -3.77 1.90 -0.58 -1.21 -4.98 120.64 108.32 3hw5 n GLU 114 Ca -0.14 -0.48 -0.35 0.00 -0.42 0.00 0.00 57.16 55.77 3hw5 n GLU 114 Cb 0.50 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.63 -5.10 -3.52 1.62 4.13 0.57 -5.01 115.26 107.32 3hw5 n ASN 115 Ca 0.14 -1.07 -0.14 0.00 1.68 0.00 0.00 54.58 55.19 3hw5 n ASN 115 Cb 0.33 -2.98 -0.04 0.00 -1.54 0.00 0.00 39.78 35.54 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 -6.27 1.12 0.55 3.52 1.70 -1.03 -4.98 118.95 113.56 3hw5 s ARG 116 Ca 0.47 -0.29 -0.14 0.00 -0.47 0.00 0.00 55.73 55.31 3hw5 s ARG 116 Cb -0.19 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 3hw5 s ARG 116 CO 0.89 -0.43 0.98 -0.06 -1.08 0.00 0.00 175.30 175.59 3hw5 s PHE 117 N -2.83 3.52 -0.04 5.89 0.40 -1.26 -1.16 117.98 122.50 3hw5 s PHE 117 Ca -0.03 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 57.67 3hw5 s PHE 117 Cb -0.00 -2.73 0.01 0.00 0.51 0.00 0.00 43.02 40.81 3hw5 s PHE 117 CO -0.05 -0.47 -0.10 0.42 0.70 0.00 0.00 175.22 175.73 3hw5 s ILE 118 N -2.82 0.90 -0.23 0.64 1.01 -0.16 -0.81 121.20 119.73 3hw5 s ILE 118 Ca 0.57 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 3hw5 s ILE 118 Cb -0.10 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3hw5 s ILE 118 CO 0.40 0.29 0.07 -1.61 0.00 0.00 0.00 174.94 174.09 3hw5 s GLU 119 N 0.48 3.76 -0.14 2.79 0.41 0.37 -0.53 118.70 125.83 3hw5 s GLU 119 Ca -0.09 -0.43 -0.06 0.00 -0.41 0.00 0.00 54.97 53.98 3hw5 s GLU 119 Cb -0.12 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 3hw5 s GLU 119 CO 0.02 -0.05 0.06 0.42 -0.49 0.00 0.00 175.26 175.22 3hw5 s ILE 120 N 1.24 4.83 0.12 -1.63 1.01 -1.26 -1.05 121.20 124.46 3hw5 s ILE 120 Ca 0.05 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3hw5 s ILE 120 Cb -0.14 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3hw5 s ILE 120 CO 0.04 0.54 -0.17 -0.83 0.00 0.00 0.00 174.94 174.52 3hw5 s GLY 121 N -0.35 1.17 -0.08 6.18 0.00 -0.23 -4.97 107.32 109.04 3hw5 s GLY 121 Ca 0.09 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3hw5 s GLY 121 CO 0.02 -1.32 -0.11 0.14 0.00 0.00 0.00 173.10 171.83 3hw5 s VAL 122 N -1.70 1.09 0.05 1.40 1.01 -1.26 -0.47 120.40 120.51 3hw5 s VAL 122 Ca 0.08 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.73 3hw5 s VAL 122 Cb -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3hw5 s VAL 122 CO 0.04 0.36 -0.25 0.28 0.00 0.00 0.00 175.10 175.53 3hw5 s THR 123 N 0.97 1.99 -1.99 3.92 -1.32 -0.26 -4.98 115.64 113.97 3hw5 s THR 123 Ca -0.09 -1.33 0.28 0.00 -1.21 0.00 0.00 61.69 59.34 3hw5 s THR 123 Cb -0.15 -1.71 0.43 0.00 -1.51 0.00 0.00 72.50 69.56 3hw5 s THR 123 CO 0.00 0.31 1.71 0.54 -2.21 0.00 0.00 174.62 174.97 3hw5 n ARG 124 N 1.79 1.09 0.00 7.08 1.74 -1.26 -3.14 116.66 123.96 3hw5 n ARG 124 Ca -0.17 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 3hw5 n ARG 124 Cb 0.52 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3hw5 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hw5 n ARG 125 N -0.45 3.58 -3.08 5.56 1.74 -1.26 -4.96 116.66 117.78 3hw5 n ARG 125 Ca 0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.84 3hw5 n ARG 125 Cb 0.33 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.71 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 3.77 4.41 0.27 5.56 2.02 -1.26 -4.91 118.70 128.56 3hw5 s GLU 126 Ca 0.00 0.90 -0.04 0.00 0.02 0.00 0.00 54.97 55.85 3hw5 s GLU 126 Cb 0.00 -3.37 0.34 0.00 0.10 0.00 0.00 34.13 31.20 3hw5 s GLU 126 CO 0.00 0.28 1.93 -0.39 0.02 0.00 0.00 175.26 177.10 3hw5 h VAL 127 N 4.25 1.21 -0.12 2.63 -1.51 -1.94 -2.57 116.25 118.19 3hw5 h VAL 127 Ca -0.44 -0.43 0.02 0.00 -1.23 0.00 0.00 66.70 64.62 3hw5 h VAL 127 Cb 1.20 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 3hw5 h VAL 127 CO 0.71 0.23 0.01 -0.74 -1.23 0.00 0.00 177.57 176.55 3hw5 h HIS 128 N 1.27 0.01 -0.02 5.19 6.17 -1.94 0.39 115.15 126.21 3hw5 h HIS 128 Ca 0.37 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.49 3hw5 h HIS 128 Cb -0.08 0.02 -0.05 0.00 2.52 0.00 0.00 27.41 29.82 3hw5 h HIS 128 CO -0.00 -0.01 -0.31 1.15 0.71 0.00 0.00 177.93 179.47 3hw5 h THR 129 N 0.05 0.32 -0.47 6.26 2.02 -1.95 -1.21 112.91 117.94 3hw5 h THR 129 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3hw5 h THR 129 Cb 0.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3hw5 h THR 129 CO -0.09 0.00 0.31 0.22 0.37 0.00 0.00 175.52 176.33 3hw5 h TYR 130 N -0.45 0.59 -0.55 3.16 3.20 -1.24 -1.33 116.97 120.35 3hw5 h TYR 130 Ca 0.07 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.06 3hw5 h TYR 130 Cb 0.54 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 38.51 3hw5 h TYR 130 CO -0.34 0.37 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.48 3hw5 h TYR 131 N 0.64 -0.31 -0.65 -3.82 3.20 0.08 -1.85 116.97 114.26 3hw5 h TYR 131 Ca 0.17 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 3hw5 h TYR 131 Cb -0.07 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3hw5 h TYR 131 CO -0.04 -0.24 0.09 -0.07 -1.64 0.00 0.00 178.16 176.25 3hw5 h LEU 132 N -0.01 1.03 -0.30 2.82 3.38 -0.43 -0.31 115.31 121.49 3hw5 h LEU 132 Ca 0.26 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hw5 h LEU 132 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hw5 h LEU 132 CO -0.57 1.03 0.15 -0.33 0.09 0.00 0.00 178.44 178.81 3hw5 h GLU 133 N 1.00 0.30 -0.49 1.13 5.08 -0.90 0.11 114.58 120.81 3hw5 h GLU 133 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3hw5 h GLU 133 Cb 0.45 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3hw5 h GLU 133 CO 0.01 0.20 0.29 -0.22 -1.00 0.00 0.00 179.01 178.29 3hw5 h LYS 134 N 0.31 0.68 -0.46 2.33 1.63 -1.10 -1.54 116.57 118.42 3hw5 h LYS 134 Ca 0.12 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3hw5 h LYS 134 Cb 0.04 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3hw5 h LYS 134 CO -0.09 0.51 0.27 0.00 -3.45 0.00 0.00 179.45 176.70 3hw5 h ALA 135 N 1.13 0.59 0.00 5.00 0.00 -0.82 -1.54 119.26 123.62 3hw5 h ALA 135 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hw5 h ALA 135 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hw5 h ALA 135 CO -0.03 0.08 -0.24 -0.91 0.00 0.00 0.00 179.25 178.15 3hw5 h ASN 136 N 0.61 0.00 0.09 0.00 4.21 -0.60 -2.62 115.58 117.27 3hw5 h ASN 136 Ca 0.16 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 3hw5 h ASN 136 Cb -0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3hw5 h ASN 136 CO -0.03 0.24 -0.05 0.50 -1.29 0.00 0.00 177.43 176.81 3hw5 h LYS 137 N 0.00 -0.12 0.00 0.81 3.64 -0.83 -3.38 116.57 116.69 3hw5 h LYS 137 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hw5 h LYS 137 Cb 0.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3hw5 h LYS 137 CO 0.03 0.40 0.00 -0.84 -2.27 0.00 0.00 179.45 176.77 3hw5 h ILE 138 N -0.86 0.00 -6.30 2.00 3.07 -1.24 -3.48 117.51 110.70 3hw5 h ILE 138 Ca -0.01 -0.79 -0.14 0.00 1.55 0.00 0.00 64.86 65.46 3hw5 h ILE 138 Cb 0.58 1.78 0.01 0.00 -0.27 0.00 0.00 36.82 38.92 3hw5 h ILE 138 CO 0.02 0.00 -1.06 0.29 -1.05 0.00 0.00 178.15 176.35 3hw5 n LYS 139 N -2.91 -1.19 -3.46 0.16 5.02 -0.99 -4.57 118.16 110.21 3hw5 n LYS 139 Ca 0.04 1.21 -0.29 0.00 -2.02 0.00 0.00 58.31 57.25 3hw5 n LYS 139 Cb 0.46 -1.89 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 3hw5 n LYS 139 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hw5 s SER 140 N -1.28 2.83 0.01 4.39 1.04 -1.26 -4.95 113.70 114.49 3hw5 s SER 140 Ca 0.15 -2.29 0.22 0.00 0.48 0.00 0.00 55.95 54.51 3hw5 s SER 140 Cb -0.02 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.68 3hw5 s SER 140 CO 0.41 -0.29 1.02 -0.62 0.98 0.00 0.00 173.24 174.73 3hw5 n GLU 141 N 3.90 0.14 -0.02 4.02 -0.58 -1.26 -4.47 120.64 122.37 3hw5 n GLU 141 Ca 0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.85 3hw5 n GLU 141 Cb 0.38 -1.53 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 3hw5 n GLU 141 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hw5 n LYS 142 N -1.70 2.05 -2.33 3.49 4.76 -1.26 -4.99 118.16 118.18 3hw5 n LYS 142 Ca 0.03 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3hw5 n LYS 142 Cb 0.38 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 3hw5 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hw5 s THR 143 N -2.25 3.90 0.19 -0.18 2.01 -1.26 -4.60 115.64 113.45 3hw5 s THR 143 Ca -0.03 1.30 -0.26 0.00 0.31 0.00 0.00 61.69 63.01 3hw5 s THR 143 Cb 0.03 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 3hw5 s THR 143 CO 0.26 0.03 0.82 -2.28 -0.69 0.00 0.00 174.62 172.76 3hw5 s HIS 144 N 1.89 3.91 -0.11 4.92 2.46 0.01 -4.91 115.29 123.46 3hw5 s HIS 144 Ca 0.60 1.70 0.02 0.00 0.47 0.00 0.00 55.06 57.86 3hw5 s HIS 144 Cb -0.30 -2.82 -0.01 0.00 -0.13 0.00 0.00 32.58 29.32 3hw5 s HIS 144 CO 0.26 0.48 -0.18 0.42 -2.47 0.00 0.00 174.74 173.26 3hw5 s ILE 145 N -1.19 2.66 -0.14 0.89 1.01 -1.26 -0.48 121.20 122.69 3hw5 s ILE 145 Ca 0.38 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 3hw5 s ILE 145 Cb -0.23 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.20 3hw5 s ILE 145 CO 0.27 0.54 -0.04 -2.28 0.00 0.00 0.00 174.94 173.44 3hw5 s HIS 146 N 0.22 1.42 -0.13 3.97 2.46 -0.21 -1.13 115.29 121.88 3hw5 s HIS 146 Ca -0.11 -0.85 -0.04 0.00 0.47 0.00 0.00 55.06 54.53 3hw5 s HIS 146 Cb -0.16 -1.18 -0.03 0.00 -0.13 0.00 0.00 32.58 31.07 3hw5 s HIS 146 CO 0.06 -0.55 0.02 0.42 -2.47 0.00 0.00 174.74 172.22 3hw5 s ILE 147 N 1.73 4.42 0.16 0.89 -1.09 0.39 -1.07 121.20 126.63 3hw5 s ILE 147 Ca 0.02 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.35 3hw5 s ILE 147 Cb -0.14 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3hw5 s ILE 147 CO -0.07 0.54 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.66 3hw5 s PHE 148 N -0.26 2.52 0.53 3.97 0.40 0.38 -1.30 117.98 124.21 3hw5 s PHE 148 Ca 0.06 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3hw5 s PHE 148 Cb -0.12 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.15 3hw5 s PHE 148 CO 0.02 0.47 0.13 -1.54 0.70 0.00 0.00 175.22 175.00 3hw5 s SER 149 N -2.58 4.30 0.00 1.36 1.04 -0.24 -1.10 113.70 116.47 3hw5 s SER 149 Ca 0.22 -1.54 0.30 0.00 0.48 0.00 0.00 55.95 55.41 3hw5 s SER 149 Cb -0.09 0.53 1.51 0.00 0.10 0.00 0.00 66.02 68.07 3hw5 s SER 149 CO 0.12 -0.95 2.01 0.49 0.98 0.00 0.00 173.24 175.89 3hw5 n PHE 150 N -1.44 0.00 0.01 5.02 3.01 -1.19 -3.75 117.46 119.12 3hw5 n PHE 150 Ca -0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.39 3hw5 n PHE 150 Cb 0.66 -0.07 0.15 0.00 -0.01 0.00 0.00 39.48 40.22 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 -0.75 0.72 -0.26 4.37 -2.24 -1.26 -4.11 114.28 110.75 3hw5 n THR 151 Ca 0.20 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3hw5 n THR 151 Cb 0.22 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.76 1.01 3.82 3.38 0.00 -1.25 -5.05 105.19 107.87 3hw5 n GLY 152 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3hw5 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw5 s GLU 153 N -0.54 4.21 0.05 1.61 2.12 -1.26 -4.89 118.70 120.01 3hw5 s GLU 153 Ca 0.00 1.10 -0.09 0.00 0.36 0.00 0.00 54.97 56.34 3hw5 s GLU 153 Cb 0.00 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3hw5 s GLU 153 CO 0.00 -0.04 0.20 -1.83 -0.54 0.00 0.00 175.26 173.05 3hw5 s GLU 154 N -3.23 0.74 -0.08 4.30 -1.05 -1.26 -1.08 118.70 117.04 3hw5 s GLU 154 Ca 0.62 -0.72 -0.06 0.00 -0.15 0.00 0.00 54.97 54.66 3hw5 s GLU 154 Cb -0.09 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.94 3hw5 s GLU 154 CO 0.14 -0.22 0.21 1.41 0.95 0.00 0.00 175.26 177.75 3hw5 s MET 155 N -2.96 0.20 0.04 -4.83 1.75 -0.42 -4.99 119.30 108.09 3hw5 s MET 155 Ca -0.02 0.38 0.01 0.00 -1.25 0.00 0.00 55.69 54.82 3hw5 s MET 155 Cb 0.01 -0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.64 3hw5 s MET 155 CO -0.06 -0.10 -0.06 0.00 -0.65 0.00 0.00 175.02 174.15 3hw5 s ALA 156 N 0.69 0.46 -0.05 4.11 0.00 -1.26 -0.46 121.76 125.24 3hw5 s ALA 156 Ca -0.05 -0.76 -0.37 0.00 0.00 0.00 0.00 51.96 50.78 3hw5 s ALA 156 Cb -0.06 0.09 -0.15 0.00 0.00 0.00 0.00 23.12 23.00 3hw5 s ALA 156 CO -0.04 -0.08 1.62 2.41 0.00 0.00 0.00 175.76 179.66 3hw5 n THR 157 N 1.38 0.21 -2.34 0.00 -1.04 -0.28 -1.60 114.28 110.61 3hw5 n THR 157 Ca -0.22 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.54 3hw5 n THR 157 Cb 0.55 -1.27 -0.02 0.00 -1.82 0.00 0.00 70.33 67.77 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 4.40 -1.69 -4.14 -2.82 5.02 -1.26 -1.20 118.16 116.45 3hw5 n LYS 158 Ca 0.22 1.01 -0.35 0.00 -2.02 0.00 0.00 58.31 57.16 3hw5 n LYS 158 Cb 0.21 -5.65 -0.03 0.00 -0.02 0.00 0.00 35.03 29.53 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 -1.75 -1.21 -3.47 7.82 0.00 -0.63 -4.94 120.51 116.32 3hw5 n ALA 159 Ca -0.24 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 3hw5 n ALA 159 Cb 0.68 -3.20 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 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 -3.18 5.12 0.00 0.00 -1.08 -0.34 -5.00 116.67 112.20 3hw5 s ASP 160 Ca 0.71 -1.29 0.26 0.00 -0.52 0.00 0.00 52.55 51.71 3hw5 s ASP 160 Cb -0.39 -1.80 0.55 0.00 -1.46 0.00 0.00 42.92 39.82 3hw5 s ASP 160 CO 0.87 -0.32 1.45 -1.22 0.52 0.00 0.00 175.17 176.47 3hw5 n TYR 161 N 4.71 0.00 0.00 -5.34 4.02 -1.26 -4.44 117.16 114.84 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 0.44 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 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 0.30 0.00 -3.50 -0.72 -1.04 -1.26 -4.83 114.28 103.24 3hw5 n THR 162 Ca 0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.92 3hw5 n THR 162 Cb 0.44 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 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 4.07 0.77 -4.42 1.43 -1.26 -5.09 118.68 114.18 3hw5 s LEU 163 Ca 0.00 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3hw5 s LEU 163 Cb 0.00 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 43.07 3hw5 s LEU 163 CO 0.00 -0.26 1.09 1.51 0.23 0.00 0.00 176.35 178.92 3hw5 s ASP 164 N -4.03 4.71 0.40 2.29 3.84 -1.26 -4.84 116.67 117.78 3hw5 s ASP 164 Ca 0.39 1.39 0.10 0.00 -0.00 0.00 0.00 52.55 54.43 3hw5 s ASP 164 Cb -0.09 -2.16 0.90 0.00 -1.38 0.00 0.00 42.92 40.19 3hw5 s ASP 164 CO 0.34 -1.84 1.97 -0.33 -0.00 0.00 0.00 175.17 175.31 3hw5 h GLU 165 N -1.00 0.55 -0.21 2.11 4.39 -1.98 -2.06 114.58 116.37 3hw5 h GLU 165 Ca -0.46 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.00 3hw5 h GLU 165 Cb 1.25 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3hw5 h GLU 165 CO 0.59 0.36 -0.67 0.93 -1.16 0.00 0.00 179.01 179.06 3hw5 h GLU 166 N 0.57 0.82 -0.62 2.33 5.08 -1.99 -0.58 114.58 120.18 3hw5 h GLU 166 Ca 0.30 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3hw5 h GLU 166 Cb 0.43 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3hw5 h GLU 166 CO -0.10 1.22 0.23 1.03 -1.00 0.00 0.00 179.01 180.40 3hw5 h SER 167 N 0.58 0.86 -0.13 1.42 0.87 -1.84 -2.69 113.55 112.63 3hw5 h SER 167 Ca -0.02 -0.18 -0.15 0.00 -1.23 0.00 0.00 61.79 60.21 3hw5 h SER 167 Cb 1.29 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3hw5 h SER 167 CO 0.14 0.81 -0.44 0.03 -0.53 0.00 0.00 176.83 176.85 3hw5 h ARG 168 N 0.87 0.67 -1.00 2.24 3.08 -1.34 -2.97 114.38 115.93 3hw5 h ARG 168 Ca 0.20 -0.36 0.08 0.00 0.07 0.00 0.00 59.98 59.97 3hw5 h ARG 168 Cb 0.23 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 3hw5 h ARG 168 CO -0.01 0.98 0.64 0.00 -1.07 0.00 0.00 179.97 180.51 3hw5 h ALA 169 N 0.97 1.44 -0.76 0.04 0.00 -1.01 0.17 119.26 120.12 3hw5 h ALA 169 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hw5 h ALA 169 Cb 0.97 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3hw5 h ALA 169 CO 0.09 0.39 0.33 0.00 0.00 0.00 0.00 179.25 180.05 3hw5 h ARG 170 N 1.13 1.11 -0.07 0.00 3.08 -1.35 0.19 114.38 118.48 3hw5 h ARG 170 Ca 0.45 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3hw5 h ARG 170 Cb 0.25 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hw5 h ARG 170 CO -0.20 0.89 -0.00 0.82 -1.07 0.00 0.00 179.97 180.41 3hw5 h ILE 171 N 1.08 1.25 -0.86 2.04 2.04 -1.33 -2.11 117.51 119.62 3hw5 h ILE 171 Ca 0.26 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3hw5 h ILE 171 Cb 0.17 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3hw5 h ILE 171 CO -0.03 0.22 0.56 0.11 0.00 0.00 0.00 178.15 179.01 3hw5 h LYS 172 N -0.17 1.02 -0.29 2.37 1.57 -0.51 -0.23 116.57 120.32 3hw5 h LYS 172 Ca 0.02 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 3hw5 h LYS 172 Cb 0.34 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hw5 h LYS 172 CO 0.00 0.67 -0.44 0.00 -0.57 0.00 0.00 179.45 179.12 3hw5 h THR 173 N 1.05 1.29 -0.30 -0.16 1.03 -0.62 0.46 112.91 115.66 3hw5 h THR 173 Ca 0.35 -1.62 -0.01 0.00 -0.01 0.00 0.00 66.41 65.11 3hw5 h THR 173 Cb 0.06 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 3hw5 h THR 173 CO -0.11 0.52 0.13 -0.09 -0.01 0.00 0.00 175.52 175.97 3hw5 h ARG 174 N 0.59 0.43 -0.47 0.00 9.65 -0.69 -0.75 114.38 123.15 3hw5 h ARG 174 Ca 0.04 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3hw5 h ARG 174 Cb 0.99 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 3hw5 h ARG 174 CO 0.09 0.43 0.22 -0.07 2.80 0.00 0.00 179.97 183.44 3hw5 h LEU 175 N 0.34 0.63 -0.55 3.80 3.38 -0.88 0.11 115.31 122.14 3hw5 h LEU 175 Ca 0.10 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3hw5 h LEU 175 Cb 0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 3hw5 h LEU 175 CO -0.01 0.59 -0.14 -0.26 0.09 0.00 0.00 178.44 178.71 3hw5 h PHE 176 N 0.62 -0.29 -0.35 1.13 -1.00 -0.80 -1.57 116.94 114.67 3hw5 h PHE 176 Ca 0.16 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.96 3hw5 h PHE 176 Cb 0.14 0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3hw5 h PHE 176 CO -0.00 -0.24 0.11 1.15 -1.61 0.00 0.00 178.31 177.72 3hw5 h THR 177 N -0.00 1.21 -0.46 -1.55 2.02 -0.43 0.43 112.91 114.13 3hw5 h THR 177 Ca 0.26 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.82 3hw5 h THR 177 Cb 0.40 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3hw5 h THR 177 CO -0.57 0.23 0.17 0.40 0.37 0.00 0.00 175.52 176.13 3hw5 h ILE 178 N 0.41 0.87 -0.56 3.11 2.04 -0.59 0.18 117.51 122.97 3hw5 h ILE 178 Ca 0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hw5 h ILE 178 Cb 0.25 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3hw5 h ILE 178 CO -0.00 0.06 0.29 -0.09 0.00 0.00 0.00 178.15 178.41 3hw5 h ARG 179 N 0.36 0.78 -0.54 2.37 1.12 -0.93 -0.50 114.38 117.04 3hw5 h ARG 179 Ca 0.22 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 3hw5 h ARG 179 Cb 0.20 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 3hw5 h ARG 179 CO -0.21 0.62 0.34 1.96 -3.11 0.00 0.00 179.97 179.56 3hw5 h GLN 180 N 0.75 0.72 -0.82 0.20 4.20 -0.70 -0.15 115.11 119.32 3hw5 h GLN 180 Ca 0.19 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3hw5 h GLN 180 Cb 0.07 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3hw5 h GLN 180 CO -0.03 0.51 0.54 0.93 -0.67 0.00 0.00 178.83 180.10 3hw5 h GLU 181 N 0.72 1.05 -0.20 1.46 4.39 -0.51 -0.16 114.58 121.34 3hw5 h GLU 181 Ca 0.19 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3hw5 h GLU 181 Cb -0.04 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 3hw5 h GLU 181 CO -0.04 0.70 0.04 0.52 -1.16 0.00 0.00 179.01 179.07 3hw5 h MET 182 N 1.08 0.33 -0.73 2.33 2.86 -0.99 -2.37 114.93 117.44 3hw5 h MET 182 Ca 0.31 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.97 3hw5 h MET 182 Cb -0.09 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.45 3hw5 h MET 182 CO -0.08 0.47 0.35 0.00 1.06 0.00 0.00 176.91 178.71 3hw5 h ALA 183 N 0.85 1.03 0.00 6.32 0.00 -0.75 0.11 119.26 126.81 3hw5 h ALA 183 Ca 0.06 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hw5 h ALA 183 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hw5 h ALA 183 CO 0.00 -0.08 -0.29 0.66 0.00 0.00 0.00 179.25 179.54 3hw5 h SER 184 N 0.57 0.00 0.10 0.00 4.64 -0.92 -2.25 113.55 115.70 3hw5 h SER 184 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hw5 h SER 184 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hw5 h SER 184 CO -0.30 0.29 -0.25 0.54 -0.87 0.00 0.00 176.83 176.23 3hw5 n ARG 185 N -3.73 1.20 -1.65 4.77 1.74 -0.36 -4.95 116.66 113.67 3hw5 n ARG 185 Ca -0.01 -0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 56.14 3hw5 n ARG 185 Cb 0.39 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.34 0.63 0.04 -0.13 0.00 0.19 -4.47 105.19 102.79 3hw5 n GLY 186 Ca 0.13 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.17 0.25 -0.19 0.99 4.32 -0.14 -4.58 117.00 116.47 3hw5 n LEU 187 Ca -0.10 0.10 -0.08 0.00 -0.02 0.00 0.00 56.01 55.90 3hw5 n LEU 187 Cb 0.42 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.24 3hw5 n LEU 187 CO 0.14 -0.03 0.91 -0.25 -1.22 0.00 0.00 177.39 176.94 3hw5 h TRP 188 N 0.00 0.89 -0.31 -1.77 2.91 -1.86 -1.74 115.95 114.07 3hw5 h TRP 188 Ca -0.02 -0.10 0.01 0.00 1.13 0.00 0.00 58.89 59.91 3hw5 h TRP 188 Cb 1.06 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 3hw5 h TRP 188 CO 0.00 0.77 0.18 -0.44 -1.03 0.00 0.00 178.44 177.92 3hw5 h ASP 189 N 0.75 0.29 -0.18 2.65 3.45 -1.90 0.38 116.42 121.86 3hw5 h ASP 189 Ca 0.17 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 3hw5 h ASP 189 Cb 0.32 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3hw5 h ASP 189 CO -0.00 0.21 -0.05 -1.28 -1.57 0.00 0.00 179.24 176.55 3hw5 h SER 190 N 0.37 0.36 -0.26 6.45 0.87 -1.83 -2.03 113.55 117.48 3hw5 h SER 190 Ca 0.12 -0.38 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 3hw5 h SER 190 Cb 0.01 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 3hw5 h SER 190 CO -0.06 0.66 -0.17 0.15 -0.53 0.00 0.00 176.83 176.87 3hw5 h PHE 191 N 0.06 -0.43 -0.72 2.24 3.57 -1.11 -2.38 116.94 118.17 3hw5 h PHE 191 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3hw5 h PHE 191 Cb 0.51 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3hw5 h PHE 191 CO 0.06 -0.24 0.46 -0.09 -2.23 0.00 0.00 178.31 176.26 3hw5 h ARG 192 N -0.15 0.87 0.00 1.11 2.43 -0.17 -3.15 114.38 115.32 3hw5 h ARG 192 Ca 0.14 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3hw5 h ARG 192 Cb 0.37 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3hw5 h ARG 192 CO -0.35 0.58 -0.26 1.96 -1.51 0.00 0.00 179.97 180.39 3hw5 h GLN 193 N 0.90 0.00 0.00 0.20 4.20 -0.91 -3.14 115.11 116.36 3hw5 h GLN 193 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3hw5 h GLN 193 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3hw5 h GLN 193 CO -0.10 0.26 0.00 -1.13 -0.67 0.00 0.00 178.83 177.20 3hw5 n SER 194 N -4.22 0.00 -4.69 1.46 3.41 -0.94 -4.88 113.62 103.75 3hw5 n SER 194 Ca -0.02 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3hw5 n SER 194 Cb 0.31 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3hw5 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw5 s GLU 195 N -2.88 4.22 0.77 4.33 2.12 -1.19 -4.99 118.70 121.07 3hw5 s GLU 195 Ca 0.14 2.27 -0.07 0.00 0.36 0.00 0.00 54.97 57.66 3hw5 s GLU 195 Cb 0.15 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 31.13 3hw5 s GLU 195 CO 0.38 -0.68 1.08 1.03 -0.54 0.00 0.00 175.26 176.53 3hw5 s ARG 196 N 2.32 1.70 0.00 4.30 0.52 -1.26 -5.08 118.95 121.45 3hw5 s ARG 196 Ca 0.71 -0.52 0.28 0.00 -0.52 0.00 0.00 55.73 55.68 3hw5 s ARG 196 Cb -0.39 -2.14 1.14 0.00 0.52 0.00 0.00 34.95 34.08 3hw5 s ARG 196 CO 0.31 -1.56 1.79 0.41 0.02 0.00 0.00 175.30 176.27