#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw5 n GLY -1 N 0.00 0.87 3.49 -0.72 0.00 -0.62 -5.06 105.19 103.15 3hw5 n GLY -1 Ca 0.00 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 3hw5 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw5 s SER 0 N -1.00 5.21 0.17 1.61 0.15 -1.26 -4.94 113.70 113.65 3hw5 s SER 0 Ca 0.00 -0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3hw5 s SER 0 Cb 0.00 -1.92 0.06 0.00 -1.71 0.00 0.00 66.02 62.45 3hw5 s SER 0 CO 0.00 0.03 1.50 -0.03 1.20 0.00 0.00 173.24 175.94 3hw5 h MET 1 N 7.76 0.72 -0.02 5.44 4.05 -1.97 -2.24 114.93 128.67 3hw5 h MET 1 Ca -0.37 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 58.66 3hw5 h MET 1 Cb 1.18 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.97 3hw5 h MET 1 CO 0.61 1.03 -0.18 1.49 0.23 0.00 0.00 176.91 180.09 3hw5 h GLU 2 N 0.57 -0.27 -0.69 0.39 4.81 -1.90 -0.27 114.58 117.22 3hw5 h GLU 2 Ca 0.03 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 3hw5 h GLU 2 Cb 1.04 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.37 3hw5 h GLU 2 CO 0.10 -0.18 0.02 -0.44 -0.73 0.00 0.00 179.01 177.78 3hw5 h ASP 3 N -0.28 -0.27 -0.03 1.04 5.19 -1.98 -2.18 116.42 117.91 3hw5 h ASP 3 Ca 0.06 0.17 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3hw5 h ASP 3 Cb 0.37 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 3hw5 h ASP 3 CO -0.19 -0.13 -0.09 0.15 -3.12 0.00 0.00 179.24 175.86 3hw5 h PHE 4 N 0.13 -0.22 -0.43 4.55 3.57 -0.71 -1.53 116.94 122.29 3hw5 h PHE 4 Ca 0.37 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.92 3hw5 h PHE 4 Cb 0.62 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3hw5 h PHE 4 CO -0.38 -0.14 0.21 0.28 -2.23 0.00 0.00 178.31 176.05 3hw5 h VAL 5 N -0.14 0.95 0.00 1.41 2.07 -0.81 0.10 116.25 119.83 3hw5 h VAL 5 Ca 0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hw5 h VAL 5 Cb 0.20 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hw5 h VAL 5 CO -0.11 0.08 -0.13 0.03 0.02 0.00 0.00 177.57 177.45 3hw5 h ARG 6 N 0.41 0.00 0.13 1.57 3.08 -1.20 -2.43 114.38 115.94 3hw5 h ARG 6 Ca 0.19 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.92 3hw5 h ARG 6 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hw5 h ARG 6 CO -0.15 0.13 -1.66 -0.56 -1.07 0.00 0.00 179.97 176.67 3hw5 h GLN 7 N 0.00 0.28 0.09 0.04 -0.00 -1.01 -3.42 115.11 111.09 3hw5 h GLN 7 Ca -0.00 -0.47 -0.27 0.00 -0.00 0.00 0.00 58.65 57.91 3hw5 h GLN 7 Cb 0.90 0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 28.55 3hw5 h GLN 7 CO 0.02 1.14 -1.30 0.00 -0.00 0.00 0.00 178.83 178.69 3hw5 s PHE 9 N -2.65 3.34 0.42 0.00 0.40 -0.93 -5.08 117.98 113.49 3hw5 s PHE 9 Ca -0.04 0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 56.27 3hw5 s PHE 9 Cb 0.08 -1.75 -0.10 0.00 0.51 0.00 0.00 43.02 41.76 3hw5 s PHE 9 CO 0.86 0.57 1.30 -1.71 0.70 0.00 0.00 175.22 176.94 3hw5 n ASN 10 N 1.08 2.71 0.15 1.36 5.15 -1.26 -4.77 115.26 119.68 3hw5 n ASN 10 Ca -0.12 1.12 0.13 0.00 -0.60 0.00 0.00 54.58 55.10 3hw5 n ASN 10 Cb 0.53 -1.52 0.65 0.00 -0.53 0.00 0.00 39.78 38.91 3hw5 n ASN 10 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hw5 h PRO 11 N 2.15 0.01 -0.24 1.20 0.11 -1.97 -1.62 132.00 131.64 3hw5 h PRO 11 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hw5 h PRO 11 Cb 1.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3hw5 h PRO 11 CO 0.60 0.01 0.14 1.98 -0.21 0.00 0.00 178.00 180.52 3hw5 h MET 12 N 0.01 0.33 -0.61 1.05 1.85 -1.99 -0.37 114.93 115.21 3hw5 h MET 12 Ca 0.10 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 3hw5 h MET 12 Cb 0.39 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 3hw5 h MET 12 CO -0.00 0.29 0.33 0.82 -0.40 0.00 0.00 176.91 177.95 3hw5 h ILE 13 N 0.29 1.20 -0.45 1.77 2.04 -1.69 -2.03 117.51 118.64 3hw5 h ILE 13 Ca 0.09 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3hw5 h ILE 13 Cb 0.05 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3hw5 h ILE 13 CO -0.01 0.21 0.22 0.58 0.00 0.00 0.00 178.15 179.15 3hw5 h VAL 14 N 0.82 1.18 -0.38 1.67 2.07 -1.03 -1.33 116.25 119.25 3hw5 h VAL 14 Ca 0.21 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3hw5 h VAL 14 Cb 0.05 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 3hw5 h VAL 14 CO -0.03 0.20 -0.05 -0.08 0.02 0.00 0.00 177.57 177.62 3hw5 h GLU 15 N 0.58 0.04 -0.33 1.57 4.81 -0.92 -0.06 114.58 120.27 3hw5 h GLU 15 Ca 0.15 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3hw5 h GLU 15 Cb 0.12 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3hw5 h GLU 15 CO -0.02 0.03 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.19 3hw5 h LEU 16 N 0.04 0.49 -0.20 1.64 3.38 -1.04 -1.38 115.31 118.25 3hw5 h LEU 16 Ca 0.19 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3hw5 h LEU 16 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hw5 h LEU 16 CO -0.36 0.59 -0.05 0.00 0.09 0.00 0.00 178.44 178.70 3hw5 h ALA 17 N 1.48 0.28 -0.92 1.53 0.00 -0.80 -0.06 119.26 120.77 3hw5 h ALA 17 Ca 0.10 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hw5 h ALA 17 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hw5 h ALA 17 CO 0.02 0.06 0.59 0.93 0.00 0.00 0.00 179.25 180.85 3hw5 h GLU 18 N 0.12 1.12 -0.61 0.00 5.08 -0.63 -1.63 114.58 118.02 3hw5 h GLU 18 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hw5 h GLU 18 Cb 0.51 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hw5 h GLU 18 CO 0.02 0.74 0.32 0.87 -1.00 0.00 0.00 179.01 179.96 3hw5 h LYS 19 N 1.15 0.86 -0.55 2.33 1.79 -1.00 -1.03 116.57 120.12 3hw5 h LYS 19 Ca 0.37 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 3hw5 h LYS 19 Cb 0.01 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 3hw5 h LYS 19 CO -0.12 0.67 0.30 0.00 -1.08 0.00 0.00 179.45 179.22 3hw5 h ALA 20 N 1.15 0.70 -0.22 3.86 0.00 -0.45 -2.06 119.26 122.24 3hw5 h ALA 20 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hw5 h ALA 20 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hw5 h ALA 20 CO -0.03 0.22 -0.07 0.52 0.00 0.00 0.00 179.25 179.88 3hw5 h MET 21 N 0.74 0.43 0.00 0.00 2.86 -1.17 -3.09 114.93 114.70 3hw5 h MET 21 Ca 0.19 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hw5 h MET 21 Cb 0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3hw5 h MET 21 CO -0.03 0.69 -0.04 0.87 1.06 0.00 0.00 176.91 179.45 3hw5 h LYS 22 N 0.15 0.00 -0.22 1.72 1.57 -1.09 0.48 116.57 119.18 3hw5 h LYS 22 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hw5 h LYS 22 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3hw5 h LYS 22 CO 0.03 0.04 0.14 1.49 -0.57 0.00 0.00 179.45 180.57 3hw5 h GLU 23 N 0.00 0.29 -0.35 3.15 4.81 -1.28 -2.72 114.58 118.48 3hw5 h GLU 23 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hw5 h GLU 23 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3hw5 h GLU 23 CO 0.01 0.20 0.00 0.66 -0.73 0.00 0.00 179.01 179.14 3hw5 n TYR 24 N -4.50 0.88 -0.99 0.92 4.02 0.05 -4.95 117.16 112.59 3hw5 n TYR 24 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 3hw5 n TYR 24 Cb 0.08 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.07 0.44 3.78 2.72 0.00 -0.89 -5.03 105.19 106.29 3hw5 n GLY 25 Ca 0.19 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.09 3.18 -0.22 1.61 2.02 -0.53 -4.98 118.70 118.69 3hw5 s GLU 26 Ca 0.00 -0.32 -0.14 0.00 0.02 0.00 0.00 54.97 54.53 3hw5 s GLU 26 Cb 0.00 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3hw5 s GLU 26 CO 0.00 0.72 0.34 0.34 0.02 0.00 0.00 175.26 176.67 3hw5 s ASP 27 N -1.15 6.33 0.53 -0.19 3.68 -1.26 -3.50 116.67 121.11 3hw5 s ASP 27 Ca 0.16 0.38 0.21 0.00 2.13 0.00 0.00 52.55 55.43 3hw5 s ASP 27 Cb -0.12 -2.20 1.40 0.00 -1.45 0.00 0.00 42.92 40.56 3hw5 s ASP 27 CO 0.06 -0.06 2.15 -0.65 0.13 0.00 0.00 175.17 176.79 3hw5 h PRO 28 N 7.55 0.00 0.00 4.34 0.11 -1.93 -0.68 132.00 141.39 3hw5 h PRO 28 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hw5 h PRO 28 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hw5 h PRO 28 CO 0.69 0.04 0.00 0.36 -0.21 0.00 0.00 178.00 178.88 3hw5 n LYS 29 N -4.22 0.03 -0.10 1.05 2.85 -1.26 -3.82 118.16 112.69 3hw5 n LYS 29 Ca -0.03 0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 3hw5 n LYS 29 Cb 0.13 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 32.93 3hw5 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3hw5 n ILE 30 N -1.58 1.49 -2.28 0.58 5.41 -0.42 -4.68 119.36 117.88 3hw5 n ILE 30 Ca 0.06 0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.44 3hw5 n ILE 30 Cb 0.32 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 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 -4.46 3.98 0.10 0.38 -0.58 -0.40 -4.75 120.64 114.91 3hw5 n GLU 31 Ca -0.21 -3.58 -0.06 0.00 -0.42 0.00 0.00 57.16 52.89 3hw5 n GLU 31 Cb 0.54 -2.81 0.03 0.00 -0.57 0.00 0.00 31.44 28.63 3hw5 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw5 h THR 32 N 3.37 1.53 -0.63 2.62 1.35 -1.83 -1.47 112.91 117.85 3hw5 h THR 32 Ca 0.47 -2.62 -0.08 0.00 -0.55 0.00 0.00 66.41 63.64 3hw5 h THR 32 Cb 0.53 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 3hw5 h THR 32 CO 1.57 0.75 0.07 0.78 -0.25 0.00 0.00 175.52 178.44 3hw5 h ASN 33 N 0.05 1.01 -0.71 5.36 2.35 -1.91 -1.11 115.58 120.62 3hw5 h ASN 33 Ca -0.02 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.42 3hw5 h ASN 33 Cb 1.41 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 3hw5 h ASN 33 CO 0.11 1.03 0.21 0.50 -1.65 0.00 0.00 177.43 177.63 3hw5 h LYS 34 N 0.98 1.12 0.20 0.81 3.64 -1.90 -1.37 116.57 120.05 3hw5 h LYS 34 Ca 0.19 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3hw5 h LYS 34 Cb 0.47 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3hw5 h LYS 34 CO 0.02 0.96 -0.24 0.35 -2.27 0.00 0.00 179.45 178.27 3hw5 h PHE 35 N 1.06 -0.63 -0.59 1.91 -0.00 -1.03 0.12 116.94 117.78 3hw5 h PHE 35 Ca 0.23 0.01 0.12 0.00 -0.00 0.00 0.00 57.97 58.32 3hw5 h PHE 35 Cb 0.32 0.25 -0.11 0.00 -0.00 0.00 0.00 35.95 36.41 3hw5 h PHE 35 CO 0.03 -0.35 -0.14 0.00 -0.00 0.00 0.00 178.31 177.85 3hw5 h ALA 36 N 0.22 0.40 -0.61 2.41 0.00 -1.11 -0.80 119.26 119.77 3hw5 h ALA 36 Ca 0.01 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3hw5 h ALA 36 Cb 0.47 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hw5 h ALA 36 CO -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.75 3hw5 h ALA 37 N 1.59 0.82 -0.49 0.00 0.00 -0.47 -1.16 119.26 119.55 3hw5 h ALA 37 Ca 0.29 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hw5 h ALA 37 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hw5 h ALA 37 CO -0.60 0.65 -0.17 0.82 0.00 0.00 0.00 179.25 179.95 3hw5 h ILE 38 N 0.97 1.27 -0.46 0.00 2.04 -0.41 -1.13 117.51 119.79 3hw5 h ILE 38 Ca 0.17 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3hw5 h ILE 38 Cb 0.56 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3hw5 h ILE 38 CO 0.03 0.46 0.27 0.00 0.00 0.00 0.00 178.15 178.91 3hw5 h THR 40 N 0.61 0.60 -0.63 0.00 2.02 -0.95 0.13 112.91 114.69 3hw5 h THR 40 Ca 0.16 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.39 3hw5 h THR 40 Cb 0.01 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3hw5 h THR 40 CO -0.03 0.00 0.35 -0.74 0.37 0.00 0.00 175.52 175.47 3hw5 h HIS 41 N -0.51 0.64 -0.31 3.16 6.17 -1.12 0.53 115.15 123.71 3hw5 h HIS 41 Ca -0.04 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.08 3hw5 h HIS 41 Cb 0.41 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.12 3hw5 h HIS 41 CO -0.07 0.32 0.17 -0.07 0.71 0.00 0.00 177.93 178.98 3hw5 h LEU 42 N 0.66 0.26 -0.63 0.26 -0.00 -0.76 -0.04 115.31 115.05 3hw5 h LEU 42 Ca 0.28 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 58.18 3hw5 h LEU 42 Cb 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 3hw5 h LEU 42 CO -0.17 0.19 0.41 -0.08 -0.00 0.00 0.00 178.44 178.80 3hw5 h GLU 43 N 0.34 0.80 -0.69 1.13 4.81 -0.46 -1.23 114.58 119.29 3hw5 h GLU 43 Ca 0.12 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3hw5 h GLU 43 Cb 0.02 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3hw5 h GLU 43 CO -0.07 0.53 0.34 0.28 -0.73 0.00 0.00 179.01 179.36 3hw5 h VAL 44 N 0.82 1.23 -0.83 0.32 2.07 -0.60 0.79 116.25 120.05 3hw5 h VAL 44 Ca 0.24 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hw5 h VAL 44 Cb -0.06 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3hw5 h VAL 44 CO -0.07 0.27 0.52 0.00 0.02 0.00 0.00 177.57 178.31 3hw5 h PHE 46 N 1.14 1.03 -0.58 0.00 0.04 -0.85 -2.66 116.94 115.05 3hw5 h PHE 46 Ca 0.30 -0.31 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3hw5 h PHE 46 Cb -0.08 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 3hw5 h PHE 46 CO -0.01 1.11 0.06 0.52 -0.60 0.00 0.00 178.31 179.39 3hw5 h MET 47 N 0.70 0.96 -0.51 1.51 2.86 -0.50 -1.56 114.93 118.39 3hw5 h MET 47 Ca 0.06 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3hw5 h MET 47 Cb 0.97 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 3hw5 h MET 47 CO 0.09 0.91 0.19 -0.92 1.06 0.00 0.00 176.91 178.24 3hw5 h TYR 48 N 0.89 0.75 -0.01 -0.22 5.03 -0.39 -2.79 116.97 120.23 3hw5 h TYR 48 Ca 0.18 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.45 3hw5 h TYR 48 Cb 0.45 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.50 3hw5 h TYR 48 CO 0.03 0.59 -0.68 -1.13 -1.32 0.00 0.00 178.16 175.65 3hw5 n SER 49 N -4.33 1.34 -4.71 -2.11 3.41 -1.02 -4.94 113.62 101.26 3hw5 n SER 49 Ca 0.04 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.12 3hw5 n SER 49 Cb 0.17 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 3hw5 n SER 49 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hw5 s ASP 50 N -2.76 6.87 -1.46 4.04 2.15 -0.60 -3.87 116.67 121.04 3hw5 s ASP 50 Ca 0.14 2.22 -0.08 0.00 0.43 0.00 0.00 52.55 55.25 3hw5 s ASP 50 Cb 0.17 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 3hw5 s ASP 50 CO 0.71 -0.65 0.77 0.49 -0.17 0.00 0.00 175.17 176.32 3hw5 n PHE 51 N 4.41 -2.18 -5.14 -5.34 3.72 -1.26 -4.98 117.46 106.68 3hw5 n PHE 51 Ca 0.12 0.69 -0.32 0.00 -0.05 0.00 0.00 57.45 57.88 3hw5 n PHE 51 Cb 0.43 -4.18 -0.16 0.00 -0.94 0.00 0.00 39.48 34.63 3hw5 n PHE 51 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3hw5 s HIS 52 N -3.18 2.57 0.02 1.38 3.76 -1.25 -5.10 115.29 113.48 3hw5 s HIS 52 Ca 0.45 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3hw5 s HIS 52 Cb -0.22 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 3hw5 s HIS 52 CO 0.56 -0.27 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.09 3hw5 s PHE 53 N 0.09 0.27 0.19 1.40 0.40 -1.26 -1.27 117.98 117.81 3hw5 s PHE 53 Ca -0.10 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 3hw5 s PHE 53 Cb -0.16 -0.18 -0.10 0.00 0.51 0.00 0.00 43.02 43.09 3hw5 s PHE 53 CO 0.06 -0.11 1.51 -1.01 0.70 0.00 0.00 175.22 176.36 3hw5 s HIS 74 N -0.99 3.07 0.13 0.36 0.09 -1.26 -5.07 115.29 111.61 3hw5 s HIS 74 Ca -0.10 0.80 -0.05 0.00 -0.00 0.00 0.00 55.06 55.71 3hw5 s HIS 74 Cb -0.07 -3.87 -0.10 0.00 -0.00 0.00 0.00 32.58 28.54 3hw5 s HIS 74 CO -0.00 -3.06 1.30 -0.09 -0.00 0.00 0.00 174.74 172.89 3hw5 h ARG 75 N 6.20 0.42 -6.49 1.40 2.43 -1.52 -3.46 114.38 113.36 3hw5 h ARG 75 Ca -0.44 -0.45 -0.70 0.00 -0.81 0.00 0.00 59.98 57.58 3hw5 h ARG 75 Cb 1.21 0.13 -0.27 0.00 -0.42 0.00 0.00 29.97 30.62 3hw5 h ARG 75 CO 0.86 1.12 -0.84 -0.06 -1.51 0.00 0.00 179.97 179.54 3hw5 s PHE 76 N -3.26 2.48 -0.15 2.20 0.40 -1.26 -0.45 117.98 117.95 3hw5 s PHE 76 Ca -0.06 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.78 3hw5 s PHE 76 Cb 0.09 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 3hw5 s PHE 76 CO 0.87 0.05 0.39 -2.00 0.70 0.00 0.00 175.22 175.23 3hw5 s GLU 77 N -0.66 4.29 -0.15 0.44 2.56 0.15 -4.90 118.70 120.44 3hw5 s GLU 77 Ca 0.10 0.27 -0.21 0.00 0.00 0.00 0.00 54.97 55.13 3hw5 s GLU 77 Cb -0.10 -3.44 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 3hw5 s GLU 77 CO -0.00 0.17 0.64 0.42 -0.56 0.00 0.00 175.26 175.92 3hw5 s ILE 78 N 0.63 5.04 -0.22 -3.70 1.01 -1.26 -1.18 121.20 121.53 3hw5 s ILE 78 Ca 0.21 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 62.08 3hw5 s ILE 78 Cb -0.14 -3.96 -0.13 0.00 0.01 0.00 0.00 42.46 38.24 3hw5 s ILE 78 CO 0.07 0.18 -0.23 -0.38 0.00 0.00 0.00 174.94 174.58 3hw5 n ILE 79 N 4.30 1.25 -1.95 2.92 2.08 0.91 -4.89 119.36 123.99 3hw5 n ILE 79 Ca -0.02 -0.43 -0.36 0.00 0.56 0.00 0.00 62.75 62.50 3hw5 n ILE 79 Cb 0.50 -1.44 0.04 0.00 -0.75 0.00 0.00 39.64 38.00 3hw5 n ILE 79 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hw5 s GLU 80 N -2.43 2.95 0.00 0.38 2.56 -0.63 -2.76 118.70 118.77 3hw5 s GLU 80 Ca -0.30 1.91 0.00 0.00 0.00 0.00 0.00 54.97 56.58 3hw5 s GLU 80 Cb 0.09 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 34.25 3hw5 s GLU 80 CO 0.47 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 174.34 3hw5 n GLY 81 N 0.61 2.99 3.90 -1.50 0.00 -1.26 -5.04 105.19 104.88 3hw5 n GLY 81 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3hw5 n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hw5 s ARG 82 N -0.21 3.60 0.29 1.61 1.70 -1.11 -5.01 118.95 119.82 3hw5 s ARG 82 Ca 0.00 0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 55.29 3hw5 s ARG 82 Cb 0.00 -2.35 -0.14 0.00 -0.57 0.00 0.00 34.95 31.89 3hw5 s ARG 82 CO 0.00 -0.21 0.99 -3.47 -1.08 0.00 0.00 175.30 171.53 3hw5 n ASP 83 N -2.11 1.20 0.20 -2.89 2.03 -1.26 -4.70 116.55 109.02 3hw5 n ASP 83 Ca 0.01 1.17 0.06 0.00 0.52 0.00 0.00 54.79 56.56 3hw5 n ASP 83 Cb 0.55 -1.28 0.54 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.93 0.10 -0.49 -0.67 3.08 -1.96 0.17 114.38 116.55 3hw5 h ARG 84 Ca -0.39 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 3hw5 h ARG 84 Cb 1.34 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3hw5 h ARG 84 CO 0.60 0.14 0.09 1.15 -1.07 0.00 0.00 179.97 180.88 3hw5 h THR 85 N 0.10 1.25 -0.30 2.04 2.02 -1.99 -0.70 112.91 115.32 3hw5 h THR 85 Ca 0.02 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 3hw5 h THR 85 Cb 0.13 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3hw5 h THR 85 CO 0.01 0.32 0.07 -0.03 0.37 0.00 0.00 175.52 176.26 3hw5 h MET 86 N 0.67 0.49 -0.27 6.66 -1.53 -1.69 -1.48 114.93 117.78 3hw5 h MET 86 Ca 0.15 -0.12 0.02 0.00 -3.44 0.00 0.00 59.70 56.30 3hw5 h MET 86 Cb 0.38 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.35 3hw5 h MET 86 CO 0.01 0.57 0.14 0.00 0.14 0.00 0.00 176.91 177.77 3hw5 h ALA 87 N 0.90 0.33 -0.03 0.39 0.00 -0.54 -0.83 119.26 119.48 3hw5 h ALA 87 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hw5 h ALA 87 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hw5 h ALA 87 CO 0.00 -0.25 -0.32 -1.49 0.00 0.00 0.00 179.25 177.19 3hw5 h TRP 88 N 0.30 0.05 -0.41 0.00 4.06 -0.98 -1.44 115.95 117.52 3hw5 h TRP 88 Ca 0.11 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.97 3hw5 h TRP 88 Cb 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3hw5 h TRP 88 CO -0.09 0.37 -0.06 1.15 -3.56 0.00 0.00 178.44 176.25 3hw5 h THR 89 N 0.04 1.27 -0.48 1.49 2.02 -0.65 -0.22 112.91 116.39 3hw5 h THR 89 Ca 0.00 -1.13 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 3hw5 h THR 89 Cb 0.60 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3hw5 h THR 89 CO 0.04 0.38 -0.04 -0.37 0.37 0.00 0.00 175.52 175.91 3hw5 h VAL 90 N 0.58 1.27 -0.30 3.16 -1.51 -0.83 -0.33 116.25 118.29 3hw5 h VAL 90 Ca 0.11 -1.13 0.04 0.00 -1.23 0.00 0.00 66.70 64.50 3hw5 h VAL 90 Cb 0.57 1.03 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 3hw5 h VAL 90 CO 0.03 0.39 0.05 0.58 -1.23 0.00 0.00 177.57 177.40 3hw5 h VAL 91 N 0.72 0.85 -0.36 7.19 2.07 -1.16 -1.16 116.25 124.40 3hw5 h VAL 91 Ca 0.13 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3hw5 h VAL 91 Cb 0.56 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3hw5 h VAL 91 CO 0.03 0.03 0.19 0.78 0.02 0.00 0.00 177.57 178.62 3hw5 h ASN 92 N 0.16 0.45 -0.67 0.57 4.21 -0.99 -0.86 115.58 118.45 3hw5 h ASN 92 Ca 0.14 -0.10 0.05 0.00 1.21 0.00 0.00 56.30 57.61 3hw5 h ASN 92 Cb 0.15 -0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 37.18 3hw5 h ASN 92 CO -0.19 0.42 0.38 -1.28 -1.29 0.00 0.00 177.43 175.47 3hw5 h SER 93 N 0.45 0.58 -0.05 5.81 0.87 -0.71 -2.41 113.55 118.09 3hw5 h SER 93 Ca 0.12 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hw5 h SER 93 Cb 0.07 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3hw5 h SER 93 CO -0.02 0.38 0.01 0.40 -0.53 0.00 0.00 176.83 177.07 3hw5 h ILE 94 N 0.71 1.17 0.00 2.23 2.04 -1.11 -1.67 117.51 120.88 3hw5 h ILE 94 Ca 0.30 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hw5 h ILE 94 Cb 0.16 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3hw5 h ILE 94 CO -0.17 0.14 -0.04 0.00 0.00 0.00 0.00 178.15 178.08 3hw5 n ASN 96 N -3.65 1.33 0.07 0.00 6.94 -0.94 -3.21 115.26 115.80 3hw5 n ASN 96 Ca -0.03 -1.16 -0.03 0.00 -0.02 0.00 0.00 54.58 53.34 3hw5 n ASN 96 Cb 0.14 0.66 -0.01 0.00 -2.36 0.00 0.00 39.78 38.20 3hw5 n ASN 96 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3hw5 h THR 97 N 1.18 0.00 -3.51 5.53 2.02 -0.96 -3.44 112.91 113.73 3hw5 h THR 97 Ca 0.00 -0.13 -0.41 0.00 0.77 0.00 0.00 66.41 66.63 3hw5 h THR 97 Cb 0.49 0.00 0.19 0.00 -1.74 0.00 0.00 68.15 67.10 3hw5 h THR 97 CO 0.00 0.00 0.16 0.42 0.37 0.00 0.00 175.52 176.47 3hw5 s THR 98 N -2.52 1.59 -0.29 3.16 -4.23 -0.56 -4.95 115.64 107.84 3hw5 s THR 98 Ca -0.03 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.57 3hw5 s THR 98 Cb 0.00 -2.55 0.52 0.00 1.34 0.00 0.00 72.50 71.81 3hw5 s THR 98 CO 0.08 0.00 1.48 0.61 -0.54 0.00 0.00 174.62 176.26 3hw5 n GLY 99 N -1.29 4.82 3.72 3.99 0.00 -1.25 -4.60 105.19 110.58 3hw5 n GLY 99 Ca 0.15 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.22 2.60 0.30 1.61 1.01 -1.20 -4.92 120.40 116.58 3hw5 s VAL 100 Ca 0.45 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 3hw5 s VAL 100 Cb 0.40 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 3hw5 s VAL 100 CO 0.01 0.03 1.40 1.21 0.00 0.00 0.00 175.10 177.75 3hw5 n GLU 101 N 3.93 2.23 -2.35 2.72 2.13 -1.26 -4.60 120.64 123.44 3hw5 n GLU 101 Ca 0.14 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.33 3hw5 n GLU 101 Cb 0.38 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.62 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 -1.11 4.37 0.64 5.31 2.20 -1.26 -5.02 119.74 124.88 3hw5 s LYS 102 Ca 0.61 1.84 -0.17 0.00 -0.36 0.00 0.00 55.97 57.89 3hw5 s LYS 102 Cb -0.58 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 3hw5 s LYS 102 CO 0.55 -0.37 1.21 -2.14 -0.36 0.00 0.00 175.35 174.24 3hw5 s PRO 103 N 1.48 2.70 0.03 4.03 0.02 -1.26 -4.97 135.00 137.03 3hw5 s PRO 103 Ca 0.60 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 3hw5 s PRO 103 Cb -0.30 -1.90 -0.34 0.00 0.02 0.00 0.00 34.50 31.98 3hw5 s PRO 103 CO 0.28 -1.41 1.01 -0.22 -0.33 0.00 0.00 177.00 176.32 3hw5 h LYS 104 N 0.47 0.47 -6.75 5.54 3.11 -1.95 -3.46 116.57 114.01 3hw5 h LYS 104 Ca -0.49 -0.81 -0.68 0.00 -2.81 0.00 0.00 60.65 55.86 3hw5 h LYS 104 Cb 1.30 0.30 -0.19 0.00 -1.00 0.00 0.00 32.23 32.64 3hw5 h LYS 104 CO 0.53 1.38 -0.81 -0.06 -2.81 0.00 0.00 179.45 177.69 3hw5 s PHE 105 N -2.61 2.51 0.20 1.91 0.08 -1.26 -5.09 117.98 113.71 3hw5 s PHE 105 Ca -0.08 -0.28 -0.31 0.00 0.12 0.00 0.00 56.93 56.38 3hw5 s PHE 105 Cb 0.05 -1.33 -0.09 0.00 -0.57 0.00 0.00 43.02 41.07 3hw5 s PHE 105 CO 0.93 0.38 1.44 -0.51 -0.10 0.00 0.00 175.22 177.36 3hw5 s LEU 106 N -2.13 4.38 0.00 -0.37 1.43 -1.26 -4.99 118.68 115.74 3hw5 s LEU 106 Ca 0.17 2.56 -0.04 0.00 -1.03 0.00 0.00 54.13 55.80 3hw5 s LEU 106 Cb -0.10 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.60 3hw5 s LEU 106 CO 0.10 -0.69 0.57 -0.81 0.23 0.00 0.00 176.35 175.75 3hw5 n PRO 107 N 3.00 -0.13 -0.11 1.29 -0.04 -1.26 -5.06 135.00 132.69 3hw5 n PRO 107 Ca 0.09 -1.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.19 3hw5 n PRO 107 Cb 0.41 -0.48 -0.14 0.00 -0.04 0.00 0.00 33.50 33.24 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 -3.15 0.95 -4.05 3.54 8.00 -0.16 -4.14 116.55 117.53 3hw5 n ASP 108 Ca 0.08 -0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 3hw5 n ASP 108 Cb 0.29 0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 41.72 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 -5.86 1.67 -0.08 0.64 1.43 -0.85 -0.06 118.68 115.58 3hw5 s LEU 109 Ca -0.19 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.95 3hw5 s LEU 109 Cb 0.07 0.59 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 3hw5 s LEU 109 CO 0.71 -0.74 -0.24 -0.47 0.23 0.00 0.00 176.35 175.83 3hw5 s TYR 110 N -3.98 2.50 -0.41 0.29 5.04 -0.32 -0.46 117.35 120.01 3hw5 s TYR 110 Ca 0.16 -0.86 -0.15 0.00 -2.44 0.00 0.00 57.07 53.78 3hw5 s TYR 110 Cb 0.06 -1.65 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3hw5 s TYR 110 CO -0.03 -0.30 0.32 0.34 -1.34 0.00 0.00 175.55 174.54 3hw5 s ASP 111 N 0.05 6.12 0.40 4.32 3.68 0.27 0.35 116.67 131.86 3hw5 s ASP 111 Ca -0.10 -0.85 0.21 0.00 2.13 0.00 0.00 52.55 53.94 3hw5 s ASP 111 Cb -0.16 -2.17 0.78 0.00 -1.45 0.00 0.00 42.92 39.92 3hw5 s ASP 111 CO 0.06 -0.47 1.77 1.88 0.13 0.00 0.00 175.17 178.54 3hw5 h TYR 112 N 8.64 0.00 0.41 -5.34 0.05 -1.06 -0.41 116.97 119.27 3hw5 h TYR 112 Ca -0.27 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 3hw5 h TYR 112 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3hw5 h TYR 112 CO 0.56 0.30 -0.20 -0.22 -1.05 0.00 0.00 178.16 177.56 3hw5 h LYS 113 N 0.00 -0.54 -0.00 4.88 3.64 -1.93 -3.33 116.57 119.30 3hw5 h LYS 113 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hw5 h LYS 113 Cb 0.83 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3hw5 h LYS 113 CO 0.04 -0.26 -0.00 0.39 -2.27 0.00 0.00 179.45 177.35 3hw5 n GLU 114 N -5.16 0.95 -3.86 1.90 -0.58 -1.24 -4.97 120.64 107.68 3hw5 n GLU 114 Ca -0.09 -0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.25 3hw5 n GLU 114 Cb 0.27 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.67 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 -1.00 -4.80 -3.59 1.62 3.02 -0.18 -4.99 115.26 105.33 3hw5 n ASN 115 Ca 0.23 -1.12 -0.16 0.00 -0.03 0.00 0.00 54.58 53.49 3hw5 n ASN 115 Cb 0.13 -2.43 -0.07 0.00 -0.61 0.00 0.00 39.78 36.80 3hw5 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw5 s ARG 116 N -6.47 0.92 0.62 3.52 1.70 -1.11 -5.01 118.95 113.12 3hw5 s ARG 116 Ca 0.42 0.28 -0.14 0.00 -0.47 0.00 0.00 55.73 55.81 3hw5 s ARG 116 Cb -0.20 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3hw5 s ARG 116 CO 0.92 -0.26 1.06 -0.06 -1.08 0.00 0.00 175.30 175.87 3hw5 s PHE 117 N -0.95 3.03 -0.04 5.89 0.40 -1.26 -0.57 117.98 124.48 3hw5 s PHE 117 Ca -0.10 1.49 0.02 0.00 -0.60 0.00 0.00 56.93 57.74 3hw5 s PHE 117 Cb -0.02 -2.97 0.02 0.00 0.51 0.00 0.00 43.02 40.56 3hw5 s PHE 117 CO 0.07 -1.13 -0.07 0.42 0.70 0.00 0.00 175.22 175.21 3hw5 s ILE 118 N -2.61 0.69 -0.24 0.64 1.01 0.40 -0.97 121.20 120.11 3hw5 s ILE 118 Ca 0.62 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 3hw5 s ILE 118 Cb -0.15 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3hw5 s ILE 118 CO 0.42 0.25 0.35 -1.61 0.00 0.00 0.00 174.94 174.34 3hw5 s GLU 119 N 0.67 4.08 -0.19 2.79 0.41 0.13 -0.99 118.70 125.59 3hw5 s GLU 119 Ca -0.10 0.05 -0.09 0.00 -0.41 0.00 0.00 54.97 54.42 3hw5 s GLU 119 Cb -0.13 -3.60 -0.05 0.00 -1.78 0.00 0.00 34.13 28.57 3hw5 s GLU 119 CO 0.01 -0.15 0.10 0.42 -0.49 0.00 0.00 175.26 175.15 3hw5 s ILE 120 N 1.67 5.12 0.13 -1.63 -1.09 -1.26 -0.70 121.20 123.45 3hw5 s ILE 120 Ca 0.15 0.09 0.09 0.00 -2.23 0.00 0.00 60.65 58.75 3hw5 s ILE 120 Cb -0.15 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3hw5 s ILE 120 CO 0.09 0.45 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.20 3hw5 s GLY 121 N 0.36 1.40 -0.08 6.18 0.00 0.12 -4.96 107.32 110.34 3hw5 s GLY 121 Ca 0.06 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.39 3hw5 s GLY 121 CO -0.01 -1.41 -0.09 0.14 0.00 0.00 0.00 173.10 171.73 3hw5 s VAL 122 N -1.42 1.00 0.00 1.40 1.01 -1.26 -0.86 120.40 120.28 3hw5 s VAL 122 Ca 0.12 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3hw5 s VAL 122 Cb -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3hw5 s VAL 122 CO 0.06 0.34 -0.20 0.28 0.00 0.00 0.00 175.10 175.58 3hw5 s THR 123 N 1.11 1.58 -2.14 3.92 -1.32 -0.18 -4.96 115.64 113.65 3hw5 s THR 123 Ca -0.07 -0.94 0.17 0.00 -1.21 0.00 0.00 61.69 59.65 3hw5 s THR 123 Cb -0.14 -1.33 0.42 0.00 -1.51 0.00 0.00 72.50 69.94 3hw5 s THR 123 CO -0.01 0.37 1.41 -2.11 -2.21 0.00 0.00 174.62 172.07 3hw5 n ARG 124 N 2.38 2.02 0.00 7.08 1.85 -1.26 -3.02 116.66 125.71 3hw5 n ARG 124 Ca -0.16 -1.57 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 3hw5 n ARG 124 Cb 0.53 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 0.77 3.63 -2.80 2.89 1.74 -1.26 -4.92 116.66 116.71 3hw5 n ARG 125 Ca 0.16 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 3hw5 n ARG 125 Cb 0.40 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.80 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 3.13 4.51 0.23 5.56 2.02 -1.26 -4.87 118.70 128.02 3hw5 s GLU 126 Ca 0.00 1.26 -0.07 0.00 0.02 0.00 0.00 54.97 56.18 3hw5 s GLU 126 Cb 0.00 -3.46 0.29 0.00 0.10 0.00 0.00 34.13 31.06 3hw5 s GLU 126 CO 0.00 -0.04 1.83 -0.39 0.02 0.00 0.00 175.26 176.67 3hw5 h VAL 127 N 4.82 0.99 0.22 2.63 -1.51 -1.93 -2.46 116.25 119.01 3hw5 h VAL 127 Ca -0.40 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3hw5 h VAL 127 Cb 1.21 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 3hw5 h VAL 127 CO 0.76 0.15 -0.16 -0.74 -1.23 0.00 0.00 177.57 176.35 3hw5 h HIS 128 N 0.81 -0.41 -0.31 5.19 -0.00 -1.95 0.15 115.15 118.62 3hw5 h HIS 128 Ca 0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 3hw5 h HIS 128 Cb 0.20 0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 3hw5 h HIS 128 CO -0.06 -0.25 0.20 1.15 -0.00 0.00 0.00 177.93 178.98 3hw5 h THR 129 N -0.38 1.07 -0.75 6.26 2.02 -1.97 -1.36 112.91 117.81 3hw5 h THR 129 Ca -0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3hw5 h THR 129 Cb 0.33 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3hw5 h THR 129 CO -0.00 0.08 0.41 0.22 0.37 0.00 0.00 175.52 176.59 3hw5 h TYR 130 N 0.42 1.04 -0.13 3.16 3.20 -1.32 0.46 116.97 123.79 3hw5 h TYR 130 Ca 0.11 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3hw5 h TYR 130 Cb -0.04 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 3hw5 h TYR 130 CO -0.06 0.73 -0.13 -0.92 -1.64 0.00 0.00 178.16 176.14 3hw5 h TYR 131 N 1.04 -0.34 -0.72 -3.82 3.20 -0.77 -0.77 116.97 114.79 3hw5 h TYR 131 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3hw5 h TYR 131 Cb 0.05 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3hw5 h TYR 131 CO 0.00 -0.20 0.40 -0.07 -1.64 0.00 0.00 178.16 176.65 3hw5 h LEU 132 N -0.16 0.90 -0.74 2.82 3.38 -0.88 0.75 115.31 121.38 3hw5 h LEU 132 Ca 0.09 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3hw5 h LEU 132 Cb 0.29 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3hw5 h LEU 132 CO -0.23 0.74 0.36 -0.33 0.09 0.00 0.00 178.44 179.07 3hw5 h GLU 133 N 0.99 0.57 -0.40 1.13 5.08 -0.59 -0.70 114.58 120.67 3hw5 h GLU 133 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3hw5 h GLU 133 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3hw5 h GLU 133 CO -0.04 0.38 0.07 0.87 -1.00 0.00 0.00 179.01 179.29 3hw5 h LYS 134 N 0.59 0.65 -0.72 2.33 1.79 -0.48 -1.09 116.57 119.64 3hw5 h LYS 134 Ca 0.37 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3hw5 h LYS 134 Cb 0.44 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 3hw5 h LYS 134 CO -0.30 0.70 0.43 0.00 -1.08 0.00 0.00 179.45 179.20 3hw5 h ALA 135 N 0.93 1.40 0.01 3.86 0.00 -0.35 -1.23 119.26 123.88 3hw5 h ALA 135 Ca 0.12 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 3hw5 h ALA 135 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hw5 h ALA 135 CO 0.01 0.52 -0.90 -0.91 0.00 0.00 0.00 179.25 177.97 3hw5 h ASN 136 N 0.99 0.12 -0.01 0.00 -0.26 -0.97 -0.36 115.58 115.09 3hw5 h ASN 136 Ca 0.26 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3hw5 h ASN 136 Cb -0.03 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3hw5 h ASN 136 CO -0.05 0.95 -0.00 0.50 -1.06 0.00 0.00 177.43 177.77 3hw5 h LYS 137 N 0.04 0.02 0.00 0.81 3.64 -0.73 -3.35 116.57 117.01 3hw5 h LYS 137 Ca -0.03 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3hw5 h LYS 137 Cb 1.55 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 3hw5 h LYS 137 CO 0.13 0.41 -0.71 0.82 -2.27 0.00 0.00 179.45 177.83 3hw5 h ILE 138 N -0.37 0.32 -6.25 2.00 5.03 -1.27 -3.48 117.51 113.49 3hw5 h ILE 138 Ca 0.00 -1.51 -0.45 0.00 -0.12 0.00 0.00 64.86 62.78 3hw5 h ILE 138 Cb 0.41 1.97 0.02 0.00 -3.03 0.00 0.00 36.82 36.19 3hw5 h ILE 138 CO 0.00 0.18 -0.87 0.29 -0.68 0.00 0.00 178.15 177.07 3hw5 n LYS 139 N -2.97 -3.50 -0.14 2.37 4.01 -0.15 -4.72 118.16 113.07 3hw5 n LYS 139 Ca -0.01 0.51 -0.11 0.00 -0.51 0.00 0.00 58.31 58.20 3hw5 n LYS 139 Cb 0.65 -4.74 -0.06 0.00 -0.51 0.00 0.00 35.03 30.37 3hw5 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3hw5 h SER 140 N -1.84 -1.56 -5.53 4.39 4.64 -1.87 -3.45 113.55 108.33 3hw5 h SER 140 Ca -0.63 0.23 -0.22 0.00 -0.47 0.00 0.00 61.79 60.70 3hw5 h SER 140 Cb 1.36 0.67 -0.11 0.00 -0.31 0.00 0.00 62.40 64.02 3hw5 h SER 140 CO 0.57 -0.38 -0.31 -1.84 -0.87 0.00 0.00 176.83 174.00 3hw5 n GLU 141 N -5.40 -2.41 0.00 4.77 0.28 -1.26 -2.31 120.64 114.30 3hw5 n GLU 141 Ca -0.01 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 3hw5 n GLU 141 Cb 0.35 -4.68 0.00 0.00 1.43 0.00 0.00 31.44 28.54 3hw5 n GLU 141 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3hw5 n LYS 142 N -3.05 0.00 -2.43 3.44 3.00 -1.26 -5.13 118.16 112.73 3hw5 n LYS 142 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.91 3hw5 n LYS 142 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.50 3hw5 n LYS 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hw5 s THR 143 N 0.00 4.09 0.29 3.15 2.01 -0.98 -4.64 115.64 119.57 3hw5 s THR 143 Ca 0.00 1.49 -0.23 0.00 0.31 0.00 0.00 61.69 63.26 3hw5 s THR 143 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 3hw5 s THR 143 CO 0.00 0.09 0.84 -2.28 -0.69 0.00 0.00 174.62 172.58 3hw5 s HIS 144 N 1.36 3.64 -0.09 4.92 2.46 -0.15 -4.81 115.29 122.62 3hw5 s HIS 144 Ca 0.58 1.58 0.04 0.00 0.47 0.00 0.00 55.06 57.74 3hw5 s HIS 144 Cb -0.28 -2.77 -0.01 0.00 -0.13 0.00 0.00 32.58 29.39 3hw5 s HIS 144 CO 0.28 0.24 -0.22 0.42 -2.47 0.00 0.00 174.74 172.99 3hw5 s ILE 145 N -1.62 2.29 -0.14 0.89 1.01 -1.26 0.22 121.20 122.59 3hw5 s ILE 145 Ca 0.48 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3hw5 s ILE 145 Cb -0.17 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.46 3hw5 s ILE 145 CO 0.22 0.56 -0.04 -2.28 0.00 0.00 0.00 174.94 173.39 3hw5 s HIS 146 N 0.09 1.41 -0.11 3.97 2.46 0.12 -1.03 115.29 122.20 3hw5 s HIS 146 Ca -0.10 -0.81 -0.02 0.00 0.47 0.00 0.00 55.06 54.60 3hw5 s HIS 146 Cb -0.16 -1.18 -0.03 0.00 -0.13 0.00 0.00 32.58 31.08 3hw5 s HIS 146 CO 0.06 -0.54 -0.02 0.42 -2.47 0.00 0.00 174.74 172.19 3hw5 s ILE 147 N 1.73 4.10 0.14 0.89 -1.09 0.72 -0.71 121.20 126.98 3hw5 s ILE 147 Ca 0.03 -0.31 0.10 0.00 -2.23 0.00 0.00 60.65 58.23 3hw5 s ILE 147 Cb -0.14 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 3hw5 s ILE 147 CO -0.08 0.56 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.64 3hw5 s PHE 148 N -0.43 2.45 0.42 3.97 0.40 -0.04 -1.19 117.98 123.56 3hw5 s PHE 148 Ca 0.07 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3hw5 s PHE 148 Cb -0.12 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 3hw5 s PHE 148 CO 0.02 0.42 0.23 -1.54 0.70 0.00 0.00 175.22 175.05 3hw5 s SER 149 N -2.33 4.57 0.33 1.36 1.04 -0.52 -1.01 113.70 117.13 3hw5 s SER 149 Ca 0.19 -1.01 0.25 0.00 0.48 0.00 0.00 55.95 55.85 3hw5 s SER 149 Cb -0.10 -0.47 0.64 0.00 0.10 0.00 0.00 66.02 66.19 3hw5 s SER 149 CO 0.10 -0.59 1.71 -0.26 0.98 0.00 0.00 173.24 175.18 3hw5 h PHE 150 N 1.32 0.00 -0.19 5.02 -1.00 -1.86 -3.24 116.94 116.98 3hw5 h PHE 150 Ca -0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3hw5 h PHE 150 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3hw5 h PHE 150 CO 0.62 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 177.57 3hw5 n THR 151 N -2.66 0.25 -0.27 -1.55 -2.24 -1.26 -3.51 114.28 103.04 3hw5 n THR 151 Ca 0.05 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3hw5 n THR 151 Cb 0.46 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.11 0.69 3.92 3.38 0.00 -1.22 -5.07 105.19 108.00 3hw5 n GLY 152 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3hw5 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw5 s GLU 153 N -0.73 3.38 0.10 1.61 2.02 -1.26 -4.92 118.70 118.90 3hw5 s GLU 153 Ca 0.00 -0.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.84 3hw5 s GLU 153 Cb 0.00 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.79 3hw5 s GLU 153 CO 0.00 -0.20 0.26 -1.83 0.02 0.00 0.00 175.26 173.51 3hw5 s GLU 154 N -4.66 0.93 -0.08 1.61 -1.05 -1.26 -1.44 118.70 112.74 3hw5 s GLU 154 Ca 0.47 -0.88 -0.06 0.00 -0.15 0.00 0.00 54.97 54.35 3hw5 s GLU 154 Cb -0.10 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.01 3hw5 s GLU 154 CO 0.42 -0.32 0.20 1.41 0.95 0.00 0.00 175.26 177.92 3hw5 s MET 155 N -3.85 0.20 0.07 -4.83 1.75 -0.33 -4.99 119.30 107.32 3hw5 s MET 155 Ca 0.05 0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.89 3hw5 s MET 155 Cb 0.04 -0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.65 3hw5 s MET 155 CO -0.11 -0.10 -0.07 0.00 -0.65 0.00 0.00 175.02 174.09 3hw5 s ALA 156 N 0.71 0.77 0.08 4.11 0.00 -1.26 -0.20 121.76 125.97 3hw5 s ALA 156 Ca -0.05 -1.05 -0.36 0.00 0.00 0.00 0.00 51.96 50.50 3hw5 s ALA 156 Cb -0.06 0.10 -0.15 0.00 0.00 0.00 0.00 23.12 23.00 3hw5 s ALA 156 CO -0.04 -0.12 1.49 2.41 0.00 0.00 0.00 175.76 179.50 3hw5 n THR 157 N 0.73 0.05 -1.66 0.00 -1.04 -0.20 -1.30 114.28 110.87 3hw5 n THR 157 Ca -0.18 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.62 3hw5 n THR 157 Cb 0.58 -1.18 -0.08 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.28 -1.42 -3.16 -2.82 5.02 -1.26 -1.06 118.16 116.74 3hw5 n LYS 158 Ca 0.19 1.19 -0.22 0.00 -2.02 0.00 0.00 58.31 57.45 3hw5 n LYS 158 Cb 0.23 -5.57 0.01 0.00 -0.02 0.00 0.00 35.03 29.68 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 1.08 -1.01 -3.20 7.82 0.00 -0.42 -4.96 120.51 119.82 3hw5 n ALA 159 Ca -0.20 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 3hw5 n ALA 159 Cb 0.66 -3.06 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 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 -2.65 5.06 0.00 0.00 -1.08 -0.23 -4.99 116.67 112.79 3hw5 s ASP 160 Ca 0.33 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 51.96 3hw5 s ASP 160 Cb -0.16 -1.87 0.47 0.00 -1.46 0.00 0.00 42.92 39.89 3hw5 s ASP 160 CO 0.41 -0.17 1.42 -1.22 0.52 0.00 0.00 175.17 176.13 3hw5 n TYR 161 N 4.86 0.04 0.00 -5.34 4.02 -1.26 -4.39 117.16 115.10 3hw5 n TYR 161 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3hw5 n TYR 161 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.00 0.00 -3.23 -0.72 -1.04 -1.26 -4.80 114.28 104.23 3hw5 n THR 162 Ca 0.16 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 3hw5 n THR 162 Cb 0.52 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.02 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 3.95 0.73 -4.42 1.43 -1.26 -5.08 118.68 114.03 3hw5 s LEU 163 Ca 0.00 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3hw5 s LEU 163 Cb 0.00 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3hw5 s LEU 163 CO 0.00 -0.32 1.07 1.51 0.23 0.00 0.00 176.35 178.84 3hw5 s ASP 164 N -3.82 4.96 0.28 2.29 3.84 -1.26 -4.80 116.67 118.16 3hw5 s ASP 164 Ca 0.42 1.71 -0.01 0.00 -0.00 0.00 0.00 52.55 54.67 3hw5 s ASP 164 Cb -0.10 -2.50 0.65 0.00 -1.38 0.00 0.00 42.92 39.59 3hw5 s ASP 164 CO 0.36 -1.73 1.61 -0.33 -0.00 0.00 0.00 175.17 175.08 3hw5 h GLU 165 N -0.92 0.08 -0.21 2.11 4.39 -1.98 -1.95 114.58 116.11 3hw5 h GLU 165 Ca -0.44 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.06 3hw5 h GLU 165 Cb 1.22 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3hw5 h GLU 165 CO 0.54 0.05 -0.64 1.49 -1.16 0.00 0.00 179.01 179.30 3hw5 h GLU 166 N 0.08 0.80 -0.70 2.33 4.81 -1.99 -0.68 114.58 119.23 3hw5 h GLU 166 Ca 0.53 -0.58 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3hw5 h GLU 166 Cb 1.05 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3hw5 h GLU 166 CO -0.78 1.20 0.46 0.77 -0.73 0.00 0.00 179.01 179.93 3hw5 h SER 167 N 0.55 0.77 -0.21 1.04 0.02 -1.86 -1.59 113.55 112.27 3hw5 h SER 167 Ca -0.02 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3hw5 h SER 167 Cb 1.26 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3hw5 h SER 167 CO 0.14 0.55 -0.20 0.03 -1.14 0.00 0.00 176.83 176.20 3hw5 h ARG 168 N 0.91 0.65 -0.22 3.45 3.08 -1.14 -2.98 114.38 118.14 3hw5 h ARG 168 Ca 0.27 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3hw5 h ARG 168 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hw5 h ARG 168 CO -0.08 0.81 -0.24 0.00 -1.07 0.00 0.00 179.97 179.39 3hw5 h ALA 169 N 1.20 1.19 -0.98 0.04 0.00 -0.66 -0.83 119.26 119.22 3hw5 h ALA 169 Ca 0.09 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hw5 h ALA 169 Cb 0.67 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3hw5 h ALA 169 CO 0.05 0.52 0.63 0.00 0.00 0.00 0.00 179.25 180.45 3hw5 h ARG 170 N 0.36 1.10 -0.22 0.00 3.08 -1.15 0.18 114.38 117.73 3hw5 h ARG 170 Ca 0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3hw5 h ARG 170 Cb 0.62 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3hw5 h ARG 170 CO 0.04 0.73 0.02 0.82 -1.07 0.00 0.00 179.97 180.51 3hw5 h ILE 171 N 1.14 1.24 -0.31 2.04 2.04 -1.38 -1.07 117.51 121.20 3hw5 h ILE 171 Ca 0.43 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3hw5 h ILE 171 Cb 0.19 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3hw5 h ILE 171 CO -0.18 0.25 -0.07 0.11 0.00 0.00 0.00 178.15 178.26 3hw5 h LYS 172 N 0.16 0.50 -0.15 2.37 1.57 -0.74 -1.14 116.57 119.14 3hw5 h LYS 172 Ca 0.06 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 3hw5 h LYS 172 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hw5 h LYS 172 CO 0.01 0.58 -0.72 1.15 -0.57 0.00 0.00 179.45 179.90 3hw5 h THR 173 N 0.47 1.31 -0.35 -0.16 2.02 -0.53 -0.17 112.91 115.50 3hw5 h THR 173 Ca 0.09 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 3hw5 h THR 173 Cb 0.41 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3hw5 h THR 173 CO 0.02 0.62 0.21 -0.09 0.37 0.00 0.00 175.52 176.65 3hw5 h ARG 174 N 0.46 0.48 -0.52 6.66 9.65 -0.79 -2.33 114.38 128.00 3hw5 h ARG 174 Ca -0.03 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 3hw5 h ARG 174 Cb 1.32 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3hw5 h ARG 174 CO 0.14 0.37 0.18 -0.07 2.80 0.00 0.00 179.97 183.39 3hw5 h LEU 175 N 0.46 0.75 -0.58 3.80 3.38 -0.90 -1.55 115.31 120.67 3hw5 h LEU 175 Ca 0.13 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hw5 h LEU 175 Cb 0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3hw5 h LEU 175 CO -0.02 0.74 -0.34 0.49 0.09 0.00 0.00 178.44 179.40 3hw5 n PHE 176 N -4.50 -0.25 -0.03 1.13 3.01 -0.10 -1.66 117.46 115.05 3hw5 n PHE 176 Ca 0.02 0.72 -0.10 0.00 1.01 0.00 0.00 57.45 59.10 3hw5 n PHE 176 Cb 0.18 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.10 3hw5 n PHE 176 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3hw5 h THR 177 N 0.00 1.00 -0.38 4.37 2.02 -1.06 -0.13 112.91 118.73 3hw5 h THR 177 Ca 0.09 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3hw5 h THR 177 Cb 0.24 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3hw5 h THR 177 CO -0.54 0.03 0.19 0.40 0.37 0.00 0.00 175.52 175.98 3hw5 h ILE 178 N 0.19 0.99 -0.45 3.11 2.04 -1.18 -1.48 117.51 120.73 3hw5 h ILE 178 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hw5 h ILE 178 Cb 0.02 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3hw5 h ILE 178 CO -0.05 0.07 0.30 -0.09 0.00 0.00 0.00 178.15 178.38 3hw5 h ARG 179 N 0.40 0.60 -0.34 2.37 2.43 -0.96 0.10 114.38 118.98 3hw5 h ARG 179 Ca 0.16 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3hw5 h ARG 179 Cb 0.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3hw5 h ARG 179 CO -0.10 0.40 -0.11 -0.56 -1.51 0.00 0.00 179.97 178.09 3hw5 h GLN 180 N 0.61 0.68 -0.41 0.20 -0.00 -0.74 0.20 115.11 115.65 3hw5 h GLN 180 Ca 0.17 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 3hw5 h GLN 180 Cb -0.07 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.36 3hw5 h GLN 180 CO -0.04 0.86 0.24 1.49 -0.00 0.00 0.00 178.83 181.38 3hw5 h GLU 181 N 0.46 0.57 -0.34 0.06 4.57 -1.13 0.45 114.58 119.21 3hw5 h GLU 181 Ca 0.08 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3hw5 h GLU 181 Cb 0.62 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 3hw5 h GLU 181 CO 0.04 0.44 0.10 0.52 -1.18 0.00 0.00 179.01 178.92 3hw5 h MET 182 N 0.54 0.22 -0.73 1.92 2.86 -0.47 -2.80 114.93 116.48 3hw5 h MET 182 Ca 0.15 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.87 3hw5 h MET 182 Cb 0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 3hw5 h MET 182 CO -0.03 0.15 0.37 0.00 1.06 0.00 0.00 176.91 178.46 3hw5 h ALA 183 N 1.23 1.01 -0.76 6.32 0.00 -0.23 0.25 119.26 127.08 3hw5 h ALA 183 Ca 0.16 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3hw5 h ALA 183 Cb 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hw5 h ALA 183 CO -0.18 -0.02 0.50 0.77 0.00 0.00 0.00 179.25 180.31 3hw5 h SER 184 N 0.63 0.68 -0.06 0.00 0.02 -0.66 -1.95 113.55 112.21 3hw5 h SER 184 Ca 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3hw5 h SER 184 Cb 0.36 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3hw5 h SER 184 CO -0.26 0.43 0.00 0.54 -1.14 0.00 0.00 176.83 176.39 3hw5 n ARG 185 N -4.49 1.73 -0.97 3.45 1.74 -0.78 -4.92 116.66 112.41 3hw5 n ARG 185 Ca 0.12 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 3hw5 n ARG 185 Cb 0.26 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.18 0.41 0.01 -0.13 0.00 -0.73 -1.59 105.19 104.34 3hw5 n GLY 186 Ca 0.18 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.28 -0.06 0.99 4.32 0.80 -4.36 117.00 118.97 3hw5 n LEU 187 Ca 0.00 -0.12 -0.07 0.00 -0.02 0.00 0.00 56.01 55.80 3hw5 n LEU 187 Cb 0.00 -0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.90 3hw5 n LEU 187 CO 0.00 0.06 0.69 -0.25 -1.22 0.00 0.00 177.39 176.67 3hw5 h TRP 188 N 0.00 0.80 -0.54 -1.77 2.91 -1.82 -2.84 115.95 112.70 3hw5 h TRP 188 Ca 0.00 -0.19 0.00 0.00 1.13 0.00 0.00 58.89 59.83 3hw5 h TRP 188 Cb 0.87 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 3hw5 h TRP 188 CO 0.00 0.89 0.34 0.22 -1.03 0.00 0.00 178.44 178.85 3hw5 h ASP 189 N 0.60 0.64 -0.11 2.65 1.82 -1.90 0.20 116.42 120.32 3hw5 h ASP 189 Ca 0.08 -0.04 -0.23 0.00 -0.39 0.00 0.00 57.03 56.44 3hw5 h ASP 189 Cb 0.76 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 40.62 3hw5 h ASP 189 CO 0.06 0.49 -0.83 -1.28 -1.61 0.00 0.00 179.24 176.07 3hw5 h SER 190 N 0.73 0.93 -0.58 2.28 0.87 -1.85 -1.45 113.55 114.47 3hw5 h SER 190 Ca 0.19 -0.64 0.08 0.00 -1.23 0.00 0.00 61.79 60.20 3hw5 h SER 190 Cb -0.04 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.58 3hw5 h SER 190 CO -0.04 1.44 0.24 0.15 -0.53 0.00 0.00 176.83 178.09 3hw5 h PHE 191 N 0.51 0.42 -0.20 2.24 3.57 -1.21 0.15 116.94 122.42 3hw5 h PHE 191 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3hw5 h PHE 191 Cb 1.47 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 3hw5 h PHE 191 CO 0.09 0.14 0.04 -0.09 -2.23 0.00 0.00 178.31 176.25 3hw5 h ARG 192 N 0.44 0.32 0.00 1.11 2.43 -0.56 -3.17 114.38 114.96 3hw5 h ARG 192 Ca 0.28 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3hw5 h ARG 192 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3hw5 h ARG 192 CO -0.27 0.47 -0.30 1.96 -1.51 0.00 0.00 179.97 180.32 3hw5 h GLN 193 N 0.12 0.00 0.00 0.20 4.20 -0.48 -2.97 115.11 116.18 3hw5 h GLN 193 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hw5 h GLN 193 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3hw5 h GLN 193 CO 0.00 0.30 0.00 -1.13 -0.67 0.00 0.00 178.83 177.33 3hw5 n SER 194 N -3.83 0.00 -4.68 1.46 3.41 0.44 -4.78 113.62 105.64 3hw5 n SER 194 Ca -0.01 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.49 3hw5 n SER 194 Cb 0.39 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.87 4.27 -0.14 4.33 2.12 -1.12 -4.85 118.70 120.43 3hw5 s GLU 195 Ca 0.16 1.88 0.07 0.00 0.36 0.00 0.00 54.97 57.45 3hw5 s GLU 195 Cb 0.17 -3.66 -0.14 0.00 0.26 0.00 0.00 34.13 30.76 3hw5 s GLU 195 CO 0.44 -0.62 -0.04 0.54 -0.54 0.00 0.00 175.26 175.05 3hw5 n ARG 196 N 5.83 1.27 0.00 4.30 1.74 -1.26 -5.09 116.66 123.44 3hw5 n ARG 196 Ca 0.13 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3hw5 n ARG 196 Cb 0.44 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3hw5 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52