#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw3 s LEU -2 N 0.00 3.66 0.00 1.53 1.02 -1.26 -4.13 118.68 119.50 3hw3 s LEU -2 Ca 0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 3hw3 s LEU -2 Cb 0.00 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.30 3hw3 s LEU -2 CO 0.00 -0.06 0.40 0.61 0.02 0.00 0.00 176.35 177.32 3hw3 n GLY -1 N 4.96 -0.49 3.68 -3.19 0.00 0.21 -5.03 105.19 105.33 3hw3 n GLY -1 Ca -0.15 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3hw3 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw3 s SER 0 N -2.52 5.97 0.17 1.61 0.15 -1.26 -4.92 113.70 112.90 3hw3 s SER 0 Ca 0.24 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 3hw3 s SER 0 Cb -0.01 -2.04 0.06 0.00 -1.71 0.00 0.00 66.02 62.31 3hw3 s SER 0 CO 0.17 0.16 1.55 -0.03 1.20 0.00 0.00 173.24 176.28 3hw3 h MET 1 N 6.83 0.87 -0.42 5.44 4.05 -1.97 -1.72 114.93 128.01 3hw3 h MET 1 Ca -0.39 -0.41 0.07 0.00 -0.28 0.00 0.00 59.70 58.70 3hw3 h MET 1 Cb 1.16 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.88 3hw3 h MET 1 CO 0.72 1.05 0.03 1.49 0.23 0.00 0.00 176.91 180.44 3hw3 h GLU 2 N 0.73 0.14 -0.67 0.39 4.81 -1.88 0.17 114.58 118.27 3hw3 h GLU 2 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hw3 h GLU 2 Cb 0.87 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3hw3 h GLU 2 CO 0.08 0.09 0.41 -0.44 -0.73 0.00 0.00 179.01 178.42 3hw3 h ASP 3 N 0.15 0.80 0.10 1.04 5.19 -1.92 -2.13 116.42 119.65 3hw3 h ASP 3 Ca 0.21 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3hw3 h ASP 3 Cb 0.29 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 3hw3 h ASP 3 CO -0.32 0.62 -0.19 0.15 -3.12 0.00 0.00 179.24 176.38 3hw3 h PHE 4 N 0.91 -0.50 -0.65 4.55 3.57 -0.77 -2.46 116.94 121.58 3hw3 h PHE 4 Ca 0.24 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.87 3hw3 h PHE 4 Cb -0.04 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 3hw3 h PHE 4 CO -0.02 -0.28 0.21 0.28 -2.23 0.00 0.00 178.31 176.28 3hw3 h VAL 5 N -0.36 0.68 0.00 1.41 2.07 -0.43 0.12 116.25 119.73 3hw3 h VAL 5 Ca 0.03 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 3hw3 h VAL 5 Cb 0.38 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3hw3 h VAL 5 CO -0.11 0.07 -0.57 0.03 0.02 0.00 0.00 177.57 177.01 3hw3 h ARG 6 N 0.36 0.00 0.00 1.57 3.08 -1.26 -2.39 114.38 115.74 3hw3 h ARG 6 Ca 0.35 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.26 3hw3 h ARG 6 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3hw3 h ARG 6 CO -0.38 0.57 -1.45 1.04 -1.07 0.00 0.00 179.97 178.68 3hw3 n GLN 7 N -3.59 0.63 0.00 0.04 6.02 -0.94 -4.58 117.38 114.96 3hw3 n GLN 7 Ca -0.00 0.15 0.03 0.00 -0.01 0.00 0.00 57.00 57.17 3hw3 n GLN 7 Cb 0.63 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 3hw3 n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw3 s PHE 9 N -1.33 3.29 0.16 0.00 0.40 -0.90 -5.05 117.98 114.55 3hw3 s PHE 9 Ca 0.03 0.19 -0.33 0.00 -0.60 0.00 0.00 56.93 56.23 3hw3 s PHE 9 Cb 0.05 -1.72 -0.16 0.00 0.51 0.00 0.00 43.02 41.69 3hw3 s PHE 9 CO 0.20 0.55 1.03 -1.71 0.70 0.00 0.00 175.22 176.00 3hw3 n ASN 10 N 1.02 0.73 0.20 1.36 5.15 -1.26 -4.79 115.26 117.67 3hw3 n ASN 10 Ca -0.12 1.15 0.07 0.00 -0.60 0.00 0.00 54.58 55.07 3hw3 n ASN 10 Cb 0.52 -1.14 0.58 0.00 -0.53 0.00 0.00 39.78 39.21 3hw3 n ASN 10 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hw3 h PRO 11 N 2.83 0.11 -0.30 1.20 0.13 -1.95 -0.79 132.00 133.23 3hw3 h PRO 11 Ca -0.42 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3hw3 h PRO 11 Cb 1.37 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 3hw3 h PRO 11 CO 0.66 0.10 0.06 1.98 -0.23 0.00 0.00 178.00 180.57 3hw3 h MET 12 N 0.11 0.49 -0.02 0.86 1.85 -1.99 0.52 114.93 116.74 3hw3 h MET 12 Ca 0.03 -0.13 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 3hw3 h MET 12 Cb 0.04 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 3hw3 h MET 12 CO -0.00 0.58 -0.14 0.82 -0.40 0.00 0.00 176.91 177.77 3hw3 h ILE 13 N 0.32 0.65 -0.25 1.77 1.08 -1.69 -1.93 117.51 117.46 3hw3 h ILE 13 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3hw3 h ILE 13 Cb 0.33 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 3hw3 h ILE 13 CO 0.00 0.00 0.09 0.58 -0.69 0.00 0.00 178.15 178.13 3hw3 h VAL 14 N -0.22 0.94 -0.42 1.67 2.07 -0.91 0.15 116.25 119.53 3hw3 h VAL 14 Ca 0.06 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3hw3 h VAL 14 Cb 0.30 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hw3 h VAL 14 CO -0.15 0.04 0.16 -0.08 0.02 0.00 0.00 177.57 177.56 3hw3 h GLU 15 N 0.20 0.33 -0.50 1.57 4.22 -0.85 0.12 114.58 119.68 3hw3 h GLU 15 Ca 0.11 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.47 3hw3 h GLU 15 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hw3 h GLU 15 CO -0.11 0.22 0.08 -0.07 -2.18 0.00 0.00 179.01 176.95 3hw3 h LEU 16 N 0.34 0.73 -0.62 1.64 3.38 -0.97 -1.38 115.31 118.42 3hw3 h LEU 16 Ca 0.19 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3hw3 h LEU 16 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hw3 h LEU 16 CO -0.18 0.74 -0.30 0.00 0.09 0.00 0.00 178.44 178.79 3hw3 h ALA 17 N 1.35 0.81 -0.12 1.53 0.00 -0.34 -1.78 119.26 120.70 3hw3 h ALA 17 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hw3 h ALA 17 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hw3 h ALA 17 CO 0.00 0.65 0.05 0.93 0.00 0.00 0.00 179.25 180.88 3hw3 h GLU 18 N 0.64 0.18 -0.26 0.00 5.08 -0.39 -2.29 114.58 117.55 3hw3 h GLU 18 Ca 0.07 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3hw3 h GLU 18 Cb 0.83 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 3hw3 h GLU 18 CO 0.07 0.28 -0.34 0.87 -1.00 0.00 0.00 179.01 178.89 3hw3 h LYS 19 N 0.04 -0.33 -1.01 2.33 1.79 -1.24 0.38 116.57 118.53 3hw3 h LYS 19 Ca 0.04 0.02 0.24 0.00 -2.18 0.00 0.00 60.65 58.77 3hw3 h LYS 19 Cb 0.17 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.80 3hw3 h LYS 19 CO -0.00 -0.22 0.64 0.00 -1.08 0.00 0.00 179.45 178.78 3hw3 h ALA 20 N 0.52 2.06 0.09 3.86 0.00 -1.24 0.30 119.26 124.86 3hw3 h ALA 20 Ca 0.13 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 3hw3 h ALA 20 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hw3 h ALA 20 CO -0.45 -0.45 -1.20 0.52 0.00 0.00 0.00 179.25 177.67 3hw3 h MET 21 N 0.49 0.20 -1.00 0.00 2.86 -0.68 -3.27 114.93 113.54 3hw3 h MET 21 Ca 0.58 -0.34 0.11 0.00 -2.06 0.00 0.00 59.70 57.98 3hw3 h MET 21 Cb 1.30 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 33.00 3hw3 h MET 21 CO -0.32 1.16 0.63 0.87 1.06 0.00 0.00 176.91 180.32 3hw3 h LYS 22 N -0.45 1.00 -0.59 1.72 1.57 -0.01 -1.30 116.57 118.49 3hw3 h LYS 22 Ca -0.26 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3hw3 h LYS 22 Cb 1.63 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 3hw3 h LYS 22 CO 0.03 0.66 0.40 1.49 -0.57 0.00 0.00 179.45 181.46 3hw3 h GLU 23 N 1.03 0.37 -0.41 3.15 4.81 -1.05 -2.64 114.58 119.84 3hw3 h GLU 23 Ca 0.48 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.63 3hw3 h GLU 23 Cb 0.42 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3hw3 h GLU 23 CO -0.24 0.25 0.04 0.66 -0.73 0.00 0.00 179.01 178.99 3hw3 n TYR 24 N -4.47 1.43 -1.05 0.92 4.02 -0.58 -4.95 117.16 112.48 3hw3 n TYR 24 Ca 0.10 -0.98 -0.02 0.00 -0.01 0.00 0.00 57.90 56.99 3hw3 n TYR 24 Cb 0.39 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.26 3hw3 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw3 n GLY 25 N -0.31 0.52 3.89 2.72 0.00 -1.00 -5.01 105.19 106.01 3hw3 n GLY 25 Ca 0.27 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3hw3 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw3 s GLU 26 N -1.16 3.50 -0.23 1.61 2.02 -0.66 -5.01 118.70 118.78 3hw3 s GLU 26 Ca 0.00 -0.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.71 3hw3 s GLU 26 Cb 0.00 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 3hw3 s GLU 26 CO 0.00 0.67 0.07 0.34 0.02 0.00 0.00 175.26 176.36 3hw3 s ASP 27 N -1.79 5.34 0.62 -0.19 3.68 -1.26 -3.44 116.67 119.62 3hw3 s ASP 27 Ca 0.27 -0.10 0.37 0.00 2.13 0.00 0.00 52.55 55.21 3hw3 s ASP 27 Cb -0.13 -1.95 2.04 0.00 -1.45 0.00 0.00 42.92 41.44 3hw3 s ASP 27 CO 0.17 0.03 2.27 -0.65 0.13 0.00 0.00 175.17 177.12 3hw3 h PRO 28 N 7.74 0.00 0.00 4.34 0.11 -1.92 -0.21 132.00 142.07 3hw3 h PRO 28 Ca -0.37 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 3hw3 h PRO 28 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hw3 h PRO 28 CO 0.61 0.02 -0.32 0.87 -0.21 0.00 0.00 178.00 178.96 3hw3 h LYS 29 N 0.00 0.00 0.00 1.05 1.57 -1.99 -3.36 116.57 113.84 3hw3 h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hw3 h LYS 29 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3hw3 h LYS 29 CO 0.00 0.32 -0.52 -0.89 -0.57 0.00 0.00 179.45 177.79 3hw3 n ILE 30 N -3.29 0.82 -1.73 1.86 5.41 -0.47 -4.70 119.36 117.25 3hw3 n ILE 30 Ca 0.01 0.30 -0.42 0.00 1.00 0.00 0.00 62.75 63.64 3hw3 n ILE 30 Cb 0.57 -1.93 -0.00 0.00 -0.71 0.00 0.00 39.64 37.57 3hw3 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw3 n GLU 31 N -3.55 3.00 0.08 0.38 -0.58 -0.21 -4.74 120.64 115.02 3hw3 n GLU 31 Ca -0.07 -2.63 -0.11 0.00 -0.42 0.00 0.00 57.16 53.92 3hw3 n GLU 31 Cb 0.27 -3.21 -0.04 0.00 -0.57 0.00 0.00 31.44 27.88 3hw3 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw3 h THR 32 N 3.88 1.47 -0.42 2.62 1.35 -1.82 -1.29 112.91 118.70 3hw3 h THR 32 Ca 0.59 -2.64 -0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3hw3 h THR 32 Cb 0.60 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 3hw3 h THR 32 CO 1.86 0.78 0.26 0.78 -0.25 0.00 0.00 175.52 178.95 3hw3 h ASN 33 N 0.14 0.50 -0.47 5.36 2.35 -1.92 -0.24 115.58 121.31 3hw3 h ASN 33 Ca -0.07 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3hw3 h ASN 33 Cb 1.60 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 3hw3 h ASN 33 CO 0.15 0.39 0.27 0.50 -1.65 0.00 0.00 177.43 177.10 3hw3 h LYS 34 N 0.56 0.64 -0.40 0.81 3.64 -1.93 -1.13 116.57 118.76 3hw3 h LYS 34 Ca 0.15 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3hw3 h LYS 34 Cb -0.02 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.60 3hw3 h LYS 34 CO -0.03 0.49 -0.05 0.35 -2.27 0.00 0.00 179.45 177.94 3hw3 h PHE 35 N 0.62 -0.13 -0.62 1.91 -0.00 -1.01 0.75 116.94 118.46 3hw3 h PHE 35 Ca 0.17 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 58.15 3hw3 h PHE 35 Cb 0.03 0.12 -0.03 0.00 -0.00 0.00 0.00 35.95 36.07 3hw3 h PHE 35 CO -0.02 -0.13 0.31 0.00 -0.00 0.00 0.00 178.31 178.46 3hw3 h ALA 36 N 1.38 0.80 -0.97 2.41 0.00 -0.72 -1.96 119.26 120.21 3hw3 h ALA 36 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hw3 h ALA 36 Cb 0.29 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3hw3 h ALA 36 CO -0.38 0.35 0.64 0.00 0.00 0.00 0.00 179.25 179.86 3hw3 h ALA 37 N 1.14 1.33 -0.13 0.00 0.00 -0.67 -1.12 119.26 119.81 3hw3 h ALA 37 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hw3 h ALA 37 Cb 0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hw3 h ALA 37 CO -0.03 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.66 3hw3 h ILE 38 N 1.29 1.24 -0.51 0.00 2.04 -0.65 -0.51 117.51 120.41 3hw3 h ILE 38 Ca 0.36 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3hw3 h ILE 38 Cb -0.11 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3hw3 h ILE 38 CO -0.09 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.49 3hw3 h THR 40 N 0.39 0.98 -0.55 0.00 2.02 -1.04 0.02 112.91 114.74 3hw3 h THR 40 Ca 0.24 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 3hw3 h THR 40 Cb 0.23 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hw3 h THR 40 CO -0.22 0.03 0.10 -0.74 0.37 0.00 0.00 175.52 175.06 3hw3 h HIS 41 N 0.19 0.95 -0.28 3.16 6.17 -0.88 -1.00 115.15 123.46 3hw3 h HIS 41 Ca 0.08 -0.13 0.05 0.00 0.71 0.00 0.00 60.37 61.08 3hw3 h HIS 41 Cb 0.03 -0.26 -0.04 0.00 2.52 0.00 0.00 27.41 29.66 3hw3 h HIS 41 CO -0.10 0.83 -0.01 -0.07 0.71 0.00 0.00 177.93 179.30 3hw3 h LEU 42 N 0.79 -0.12 -0.84 0.26 4.07 -0.87 -0.85 115.31 117.75 3hw3 h LEU 42 Ca 0.17 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.21 3hw3 h LEU 42 Cb 0.39 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 3hw3 h LEU 42 CO 0.01 -0.03 0.55 -0.08 -1.08 0.00 0.00 178.44 177.80 3hw3 h GLU 43 N 0.08 1.06 -0.35 1.13 4.81 -0.55 -1.65 114.58 119.11 3hw3 h GLU 43 Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hw3 h GLU 43 Cb 0.18 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3hw3 h GLU 43 CO -0.23 0.70 0.21 0.28 -0.73 0.00 0.00 179.01 179.24 3hw3 h VAL 44 N 1.09 1.11 -0.73 0.32 2.07 -0.91 0.81 116.25 120.01 3hw3 h VAL 44 Ca 0.32 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.68 3hw3 h VAL 44 Cb -0.06 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 3hw3 h VAL 44 CO -0.09 0.11 0.38 0.00 0.02 0.00 0.00 177.57 177.99 3hw3 h PHE 46 N 0.65 0.47 -0.16 0.00 0.04 -0.98 -2.70 116.94 114.26 3hw3 h PHE 46 Ca 0.36 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 3hw3 h PHE 46 Cb 0.36 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3hw3 h PHE 46 CO -0.10 0.79 -0.01 0.52 -0.60 0.00 0.00 178.31 178.92 3hw3 h MET 47 N 0.31 0.28 -0.57 1.51 2.86 -0.23 -3.06 114.93 116.03 3hw3 h MET 47 Ca 0.02 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3hw3 h MET 47 Cb 0.96 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3hw3 h MET 47 CO 0.08 0.53 0.39 -0.92 1.06 0.00 0.00 176.91 178.05 3hw3 h TYR 48 N 0.01 0.29 -2.89 -0.22 5.03 -1.03 -3.51 116.97 114.64 3hw3 h TYR 48 Ca 0.04 0.01 -0.60 0.00 2.58 0.00 0.00 58.73 60.76 3hw3 h TYR 48 Cb 0.41 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.53 3hw3 h TYR 48 CO 0.04 0.13 -0.55 -1.54 -1.32 0.00 0.00 178.16 174.92 3hw3 s SER 49 N -6.23 5.85 0.00 -2.11 1.04 -1.02 -5.01 113.70 106.22 3hw3 s SER 49 Ca -0.07 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3hw3 s SER 49 Cb 0.20 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.66 3hw3 s SER 49 CO 0.74 0.13 0.00 -1.14 0.98 0.00 0.00 173.24 173.95 3hw3 n ARG 75 N 0.05 0.00 -4.74 4.02 0.63 -1.26 -4.95 116.66 110.40 3hw3 n ARG 75 Ca -0.07 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.54 3hw3 n ARG 75 Cb 0.53 -0.62 -0.12 0.00 0.45 0.00 0.00 32.46 32.69 3hw3 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw3 s PHE 76 N 0.00 2.70 -0.20 -0.14 0.40 -1.26 -0.46 117.98 119.02 3hw3 s PHE 76 Ca 0.00 -0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 56.08 3hw3 s PHE 76 Cb 0.00 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 3hw3 s PHE 76 CO 0.00 0.24 0.10 -2.00 0.70 0.00 0.00 175.22 174.26 3hw3 s GLU 77 N -1.07 4.05 -0.03 0.44 2.56 0.70 -4.95 118.70 120.40 3hw3 s GLU 77 Ca 0.14 -0.30 -0.23 0.00 0.00 0.00 0.00 54.97 54.58 3hw3 s GLU 77 Cb -0.11 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 3hw3 s GLU 77 CO 0.03 0.25 0.69 -1.50 -0.56 0.00 0.00 175.26 174.18 3hw3 s ILE 78 N 0.47 4.96 -0.22 -3.70 2.07 -1.26 -1.15 121.20 122.37 3hw3 s ILE 78 Ca 0.05 1.44 -0.12 0.00 -1.41 0.00 0.00 60.65 60.62 3hw3 s ILE 78 Cb -0.12 -4.03 -0.09 0.00 0.13 0.00 0.00 42.46 38.34 3hw3 s ILE 78 CO -0.00 0.30 -0.29 -0.38 -1.91 0.00 0.00 174.94 172.66 3hw3 n ILE 79 N 3.41 1.26 -1.54 2.00 2.08 0.45 -4.93 119.36 122.09 3hw3 n ILE 79 Ca -0.02 -0.27 -0.40 0.00 0.56 0.00 0.00 62.75 62.62 3hw3 n ILE 79 Cb 0.51 -1.84 0.02 0.00 -0.75 0.00 0.00 39.64 37.58 3hw3 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw3 n GLU 80 N -4.04 0.87 0.00 0.38 4.07 -0.72 -2.78 120.64 118.43 3hw3 n GLU 80 Ca -0.41 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 3hw3 n GLU 80 Cb 0.78 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 3hw3 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw3 n GLY 81 N 1.49 2.87 3.79 8.31 0.00 -1.26 -5.03 105.19 115.36 3hw3 n GLY 81 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3hw3 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw3 s ARG 82 N -0.06 3.83 0.37 1.61 0.52 -1.12 -4.96 118.95 119.15 3hw3 s ARG 82 Ca 0.00 1.43 -0.26 0.00 -0.52 0.00 0.00 55.73 56.39 3hw3 s ARG 82 Cb 0.00 -2.19 -0.12 0.00 0.52 0.00 0.00 34.95 33.16 3hw3 s ARG 82 CO 0.00 -0.41 1.01 -3.47 0.02 0.00 0.00 175.30 172.44 3hw3 n ASP 83 N -0.79 1.28 0.00 0.23 2.03 -1.26 -4.68 116.55 113.36 3hw3 n ASP 83 Ca 0.08 1.09 0.09 0.00 0.52 0.00 0.00 54.79 56.58 3hw3 n ASP 83 Cb 0.52 -1.33 0.51 0.00 -0.72 0.00 0.00 41.12 40.10 3hw3 n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3hw3 h ARG 84 N 1.73 0.35 -0.10 -0.67 2.43 -1.97 0.17 114.38 116.32 3hw3 h ARG 84 Ca -0.43 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 3hw3 h ARG 84 Cb 1.34 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3hw3 h ARG 84 CO 0.58 0.23 -0.04 1.15 -1.51 0.00 0.00 179.97 180.39 3hw3 h THR 85 N 0.36 1.31 -0.62 0.20 2.02 -2.00 -1.65 112.91 112.54 3hw3 h THR 85 Ca 0.19 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3hw3 h THR 85 Cb 0.31 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3hw3 h THR 85 CO -0.05 0.29 0.34 -0.03 0.37 0.00 0.00 175.52 176.44 3hw3 h MET 86 N -0.14 0.86 -0.05 6.66 1.85 -1.74 -1.75 114.93 120.63 3hw3 h MET 86 Ca 0.02 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3hw3 h MET 86 Cb 0.47 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 3hw3 h MET 86 CO 0.01 0.65 -0.04 0.00 -0.40 0.00 0.00 176.91 177.14 3hw3 h ALA 87 N 1.16 0.01 -0.59 0.39 0.00 -0.65 0.17 119.26 119.74 3hw3 h ALA 87 Ca 0.22 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hw3 h ALA 87 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hw3 h ALA 87 CO -0.03 -0.52 0.06 -1.49 0.00 0.00 0.00 179.25 177.27 3hw3 h TRP 88 N -0.04 1.04 -0.23 0.00 4.06 -1.27 0.39 115.95 119.90 3hw3 h TRP 88 Ca 0.03 -0.14 0.05 0.00 2.06 0.00 0.00 58.89 60.89 3hw3 h TRP 88 Cb 0.09 -0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 3hw3 h TRP 88 CO -0.13 0.90 -0.09 1.15 -3.56 0.00 0.00 178.44 176.71 3hw3 h THR 89 N 0.92 0.70 -0.29 1.49 2.02 -0.94 0.84 112.91 117.65 3hw3 h THR 89 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3hw3 h THR 89 Cb 0.45 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3hw3 h THR 89 CO 0.02 0.00 0.18 0.58 0.37 0.00 0.00 175.52 176.67 3hw3 h VAL 90 N -0.05 1.10 -0.22 3.16 2.07 -0.43 -0.15 116.25 121.73 3hw3 h VAL 90 Ca 0.12 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3hw3 h VAL 90 Cb 0.22 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3hw3 h VAL 90 CO -0.26 0.09 0.02 0.58 0.02 0.00 0.00 177.57 178.02 3hw3 h VAL 91 N 0.38 0.86 -0.54 2.57 2.07 -0.59 -1.44 116.25 119.56 3hw3 h VAL 91 Ca 0.11 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hw3 h VAL 91 Cb -0.01 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3hw3 h VAL 91 CO -0.02 0.02 0.05 0.78 0.02 0.00 0.00 177.57 178.42 3hw3 h ASN 92 N 0.10 0.84 -0.61 0.57 4.21 -0.75 -0.78 115.58 119.15 3hw3 h ASN 92 Ca 0.10 -0.19 0.05 0.00 1.21 0.00 0.00 56.30 57.47 3hw3 h ASN 92 Cb 0.12 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.05 3hw3 h ASN 92 CO -0.16 0.87 0.34 -1.28 -1.29 0.00 0.00 177.43 175.91 3hw3 h SER 93 N 0.83 0.52 -0.09 5.81 0.87 -0.80 -2.75 113.55 117.93 3hw3 h SER 93 Ca 0.17 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3hw3 h SER 93 Cb 0.42 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3hw3 h SER 93 CO 0.01 0.35 -0.00 0.40 -0.53 0.00 0.00 176.83 177.06 3hw3 h ILE 94 N 0.65 1.26 0.00 2.23 2.04 -0.93 -1.23 117.51 121.52 3hw3 h ILE 94 Ca 0.27 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3hw3 h ILE 94 Cb 0.13 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3hw3 h ILE 94 CO -0.15 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.23 3hw3 n ASN 96 N -2.25 0.63 0.11 0.00 2.04 -1.05 -3.50 115.26 111.24 3hw3 n ASN 96 Ca -0.01 -1.00 -0.19 0.00 -0.44 0.00 0.00 54.58 52.94 3hw3 n ASN 96 Cb 0.05 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.17 3hw3 n ASN 96 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3hw3 h THR 97 N 0.38 1.41 0.00 5.53 2.02 -0.80 -3.46 112.91 117.98 3hw3 h THR 97 Ca 0.00 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.36 3hw3 h THR 97 Cb 0.19 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3hw3 h THR 97 CO 0.00 0.83 0.00 0.35 0.37 0.00 0.00 175.52 177.07 3hw3 n THR 98 N -3.64 0.00 -1.67 3.16 -2.24 0.18 -5.06 114.28 105.01 3hw3 n THR 98 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hw3 n THR 98 Cb 1.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3hw3 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw3 n GLY 99 N 5.00 0.76 3.70 3.38 0.00 -1.23 -4.91 105.19 111.89 3hw3 n GLY 99 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hw3 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hw3 n VAL 100 N 0.00 2.25 -1.66 1.61 0.31 -1.26 -4.93 118.33 114.65 3hw3 n VAL 100 Ca 0.00 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.39 3hw3 n VAL 100 Cb 0.38 -1.58 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 3hw3 n VAL 100 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hw3 n GLU 101 N 0.32 1.91 -2.44 5.55 2.13 -1.26 -4.70 120.64 122.15 3hw3 n GLU 101 Ca 0.05 0.68 -0.42 0.00 0.66 0.00 0.00 57.16 58.13 3hw3 n GLU 101 Cb 0.38 -2.27 -0.03 0.00 0.27 0.00 0.00 31.44 29.79 3hw3 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw3 s LYS 102 N -0.91 4.36 0.53 5.31 2.20 -1.26 -5.01 119.74 124.96 3hw3 s LYS 102 Ca 0.64 1.71 -0.21 0.00 -0.36 0.00 0.00 55.97 57.75 3hw3 s LYS 102 Cb -0.65 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 3hw3 s LYS 102 CO 0.54 -0.42 1.25 -1.25 -0.36 0.00 0.00 175.35 175.11 3hw3 s PRO 103 N 2.05 3.31 0.35 4.03 0.04 -1.26 -4.96 135.00 138.55 3hw3 s PRO 103 Ca 0.57 1.96 0.18 0.00 0.04 0.00 0.00 61.00 63.75 3hw3 s PRO 103 Cb -0.26 -2.22 0.51 0.00 0.04 0.00 0.00 34.50 32.57 3hw3 s PRO 103 CO 0.23 -0.97 1.65 0.87 0.04 0.00 0.00 177.00 178.82 3hw3 h LYS 104 N 1.51 0.00 -6.20 4.56 1.57 -1.95 -3.45 116.57 112.61 3hw3 h LYS 104 Ca -0.50 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.71 3hw3 h LYS 104 Cb 1.28 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.39 3hw3 h LYS 104 CO 0.58 0.41 -0.82 -0.06 -0.57 0.00 0.00 179.45 178.98 3hw3 s PHE 105 N -3.40 1.88 0.12 -1.35 0.08 -1.26 -5.09 117.98 108.95 3hw3 s PHE 105 Ca 0.01 -0.42 -0.31 0.00 0.12 0.00 0.00 56.93 56.33 3hw3 s PHE 105 Cb 0.10 -1.00 -0.09 0.00 -0.57 0.00 0.00 43.02 41.46 3hw3 s PHE 105 CO 0.70 0.27 1.68 -0.51 -0.10 0.00 0.00 175.22 177.26 3hw3 s LEU 106 N -2.18 4.37 0.00 -0.37 1.43 -1.26 -5.00 118.68 115.67 3hw3 s LEU 106 Ca 0.11 2.61 -0.04 0.00 -1.03 0.00 0.00 54.13 55.77 3hw3 s LEU 106 Cb -0.09 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.63 3hw3 s LEU 106 CO 0.05 -0.91 0.40 -0.81 0.23 0.00 0.00 176.35 175.32 3hw3 n PRO 107 N 5.11 -0.30 -0.08 1.29 -0.04 -1.26 -5.04 135.00 134.68 3hw3 n PRO 107 Ca 0.16 -0.67 -0.16 0.00 -0.04 0.00 0.00 63.50 62.78 3hw3 n PRO 107 Cb 0.39 -0.40 -0.13 0.00 -0.04 0.00 0.00 33.50 33.32 3hw3 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw3 n ASP 108 N -3.23 1.50 -4.03 3.54 8.00 -0.33 -4.00 116.55 117.99 3hw3 n ASP 108 Ca 0.05 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.49 3hw3 n ASP 108 Cb 0.18 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3hw3 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw3 s LEU 109 N -6.39 1.01 -0.08 0.64 1.43 -0.71 -0.41 118.68 114.17 3hw3 s LEU 109 Ca -0.24 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 3hw3 s LEU 109 Cb 0.08 1.02 -0.01 0.00 0.03 0.00 0.00 46.19 47.31 3hw3 s LEU 109 CO 0.71 -0.90 -0.24 -0.47 0.23 0.00 0.00 176.35 175.68 3hw3 s TYR 110 N -4.02 2.45 -0.43 0.29 5.04 -0.30 -0.62 117.35 119.76 3hw3 s TYR 110 Ca 0.22 -0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 53.86 3hw3 s TYR 110 Cb 0.04 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.78 3hw3 s TYR 110 CO 0.04 -0.30 0.32 0.34 -1.34 0.00 0.00 175.55 174.60 3hw3 s ASP 111 N 0.07 5.99 0.47 4.32 3.68 0.53 -0.21 116.67 131.52 3hw3 s ASP 111 Ca -0.10 -1.20 0.26 0.00 2.13 0.00 0.00 52.55 53.63 3hw3 s ASP 111 Cb -0.16 -2.12 1.12 0.00 -1.45 0.00 0.00 42.92 40.31 3hw3 s ASP 111 CO 0.06 -0.54 1.91 1.88 0.13 0.00 0.00 175.17 178.61 3hw3 h TYR 112 N 8.61 0.00 0.03 -5.34 0.05 -1.06 0.11 116.97 119.37 3hw3 h TYR 112 Ca -0.27 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 3hw3 h TYR 112 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3hw3 h TYR 112 CO 0.60 0.18 -0.01 -0.22 -1.05 0.00 0.00 178.16 177.66 3hw3 h LYS 113 N 0.00 -0.03 -0.06 4.88 3.64 -1.93 -3.32 116.57 119.75 3hw3 h LYS 113 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hw3 h LYS 113 Cb 0.61 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3hw3 h LYS 113 CO 0.02 0.68 0.00 0.39 -2.27 0.00 0.00 179.45 178.27 3hw3 n GLU 114 N -4.74 1.70 -3.70 1.90 -0.58 -1.21 -4.96 120.64 109.05 3hw3 n GLU 114 Ca -0.09 -1.03 -0.32 0.00 -0.42 0.00 0.00 57.16 55.30 3hw3 n GLU 114 Cb 0.36 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.81 3hw3 n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hw3 n ASN 115 N 0.24 -5.26 -3.58 1.62 4.05 0.33 -5.00 115.26 107.67 3hw3 n ASN 115 Ca 0.18 -1.03 -0.17 0.00 0.45 0.00 0.00 54.58 54.01 3hw3 n ASN 115 Cb 0.35 -3.30 -0.07 0.00 1.23 0.00 0.00 39.78 38.00 3hw3 n ASN 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hw3 s ARG 116 N -6.05 0.97 0.49 1.20 1.70 -0.85 -4.98 118.95 111.43 3hw3 s ARG 116 Ca 0.48 0.15 -0.15 0.00 -0.47 0.00 0.00 55.73 55.74 3hw3 s ARG 116 Cb -0.17 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3hw3 s ARG 116 CO 0.87 -0.30 0.93 -0.06 -1.08 0.00 0.00 175.30 175.66 3hw3 s PHE 117 N -1.25 3.47 -0.06 5.89 0.40 -1.26 -0.35 117.98 124.82 3hw3 s PHE 117 Ca -0.11 1.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.58 3hw3 s PHE 117 Cb -0.01 -2.69 0.01 0.00 0.51 0.00 0.00 43.02 40.84 3hw3 s PHE 117 CO 0.08 -0.32 -0.10 0.42 0.70 0.00 0.00 175.22 176.00 3hw3 s ILE 118 N -2.59 0.98 -0.17 0.64 1.01 0.20 -0.86 121.20 120.40 3hw3 s ILE 118 Ca 0.57 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 3hw3 s ILE 118 Cb -0.10 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 3hw3 s ILE 118 CO 0.33 0.32 0.30 -1.61 0.00 0.00 0.00 174.94 174.27 3hw3 s GLU 119 N 0.70 4.23 -0.13 2.79 0.41 0.12 -1.19 118.70 125.63 3hw3 s GLU 119 Ca -0.13 0.08 -0.03 0.00 -0.41 0.00 0.00 54.97 54.48 3hw3 s GLU 119 Cb -0.15 -3.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.72 3hw3 s GLU 119 CO 0.03 0.18 -0.04 0.42 -0.49 0.00 0.00 175.26 175.36 3hw3 s ILE 120 N 0.65 3.86 0.03 -1.63 -1.09 -1.26 -1.32 121.20 120.44 3hw3 s ILE 120 Ca 0.16 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.28 3hw3 s ILE 120 Cb -0.13 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3hw3 s ILE 120 CO 0.04 0.52 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.21 3hw3 s GLY 121 N 0.03 1.23 -0.13 6.18 0.00 -0.49 -4.97 107.32 109.17 3hw3 s GLY 121 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3hw3 s GLY 121 CO 0.03 -1.01 -0.11 0.14 0.00 0.00 0.00 173.10 172.15 3hw3 s VAL 122 N -0.73 1.33 0.08 1.40 1.01 -1.26 -0.40 120.40 121.82 3hw3 s VAL 122 Ca 0.09 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3hw3 s VAL 122 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3hw3 s VAL 122 CO 0.01 0.42 -0.18 0.28 0.00 0.00 0.00 175.10 175.63 3hw3 s THR 123 N 1.54 1.43 -2.15 3.92 -1.32 -0.35 -4.98 115.64 113.73 3hw3 s THR 123 Ca 0.04 -1.34 0.19 0.00 -1.21 0.00 0.00 61.69 59.37 3hw3 s THR 123 Cb -0.13 -1.31 0.30 0.00 -1.51 0.00 0.00 72.50 69.85 3hw3 s THR 123 CO -0.09 -0.07 1.24 -2.11 -2.21 0.00 0.00 174.62 171.39 3hw3 n ARG 124 N 1.37 2.12 -1.21 7.08 1.85 -1.26 -2.92 116.66 123.68 3hw3 n ARG 124 Ca -0.19 -1.97 -0.02 0.00 -1.00 0.00 0.00 57.85 54.66 3hw3 n ARG 124 Cb 0.54 -1.41 0.01 0.00 -1.05 0.00 0.00 32.46 30.54 3hw3 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw3 n ARG 125 N 1.17 0.91 -1.79 2.89 1.74 -1.26 -4.97 116.66 115.35 3hw3 n ARG 125 Ca 0.15 -0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 3hw3 n ARG 125 Cb 0.52 -0.04 -0.03 0.00 -1.02 0.00 0.00 32.46 31.89 3hw3 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw3 s GLU 126 N -2.37 4.15 0.34 5.56 2.02 -1.26 -4.92 118.70 122.23 3hw3 s GLU 126 Ca 0.08 2.53 0.03 0.00 0.02 0.00 0.00 54.97 57.62 3hw3 s GLU 126 Cb -0.01 -3.32 0.60 0.00 0.10 0.00 0.00 34.13 31.51 3hw3 s GLU 126 CO 0.05 -0.75 1.94 -0.39 0.02 0.00 0.00 175.26 176.13 3hw3 h VAL 127 N 4.25 1.18 -0.60 2.63 -1.51 -1.96 -2.04 116.25 118.20 3hw3 h VAL 127 Ca -0.44 -0.51 -0.06 0.00 -1.23 0.00 0.00 66.70 64.46 3hw3 h VAL 127 Cb 1.21 0.53 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 3hw3 h VAL 127 CO 0.94 0.21 0.13 0.45 -1.23 0.00 0.00 177.57 178.07 3hw3 h HIS 128 N 0.73 1.02 0.04 5.19 3.86 -1.98 0.84 115.15 124.85 3hw3 h HIS 128 Ca 0.18 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3hw3 h HIS 128 Cb 0.09 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3hw3 h HIS 128 CO 0.01 0.88 -0.20 1.15 0.86 0.00 0.00 177.93 180.62 3hw3 h THR 129 N 0.88 0.54 -0.34 2.45 2.02 -1.79 -2.10 112.91 114.56 3hw3 h THR 129 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 3hw3 h THR 129 Cb 0.38 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3hw3 h THR 129 CO 0.01 0.00 0.07 0.22 0.37 0.00 0.00 175.52 176.19 3hw3 h TYR 130 N -0.34 0.58 -0.40 3.16 3.20 -1.18 -2.22 116.97 119.78 3hw3 h TYR 130 Ca 0.05 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.93 3hw3 h TYR 130 Cb 0.39 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 3hw3 h TYR 130 CO -0.23 0.60 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.85 3hw3 h TYR 131 N 0.40 -0.29 -0.11 -3.82 3.20 -0.70 -0.44 116.97 115.22 3hw3 h TYR 131 Ca 0.11 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 3hw3 h TYR 131 Cb 0.32 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hw3 h TYR 131 CO 0.02 -0.20 -0.56 -0.07 -1.64 0.00 0.00 178.16 175.70 3hw3 h LEU 132 N -0.04 0.38 -0.44 2.82 3.38 -1.29 0.81 115.31 120.92 3hw3 h LEU 132 Ca 0.20 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hw3 h LEU 132 Cb 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3hw3 h LEU 132 CO -0.43 0.86 0.11 -0.33 0.09 0.00 0.00 178.44 178.73 3hw3 h GLU 133 N 0.26 0.24 -0.11 1.13 5.08 -0.77 0.31 114.58 120.72 3hw3 h GLU 133 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hw3 h GLU 133 Cb 1.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hw3 h GLU 133 CO 0.09 0.16 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.03 3hw3 h LYS 134 N 0.25 0.21 -0.64 2.33 1.63 -0.69 -1.30 116.57 118.35 3hw3 h LYS 134 Ca 0.22 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 60.06 3hw3 h LYS 134 Cb 0.26 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.78 3hw3 h LYS 134 CO -0.26 0.47 0.18 0.00 -3.45 0.00 0.00 179.45 176.39 3hw3 h ALA 135 N 0.72 0.81 0.00 5.00 0.00 -0.59 -2.01 119.26 123.20 3hw3 h ALA 135 Ca 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hw3 h ALA 135 Cb 0.39 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hw3 h ALA 135 CO 0.01 -0.27 -0.41 -0.91 0.00 0.00 0.00 179.25 177.66 3hw3 h ASN 136 N 0.32 0.00 0.22 0.00 -0.26 -0.09 -2.01 115.58 113.77 3hw3 h ASN 136 Ca 0.34 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.07 3hw3 h ASN 136 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3hw3 h ASN 136 CO -0.40 0.41 -0.11 0.50 -1.06 0.00 0.00 177.43 176.78 3hw3 h LYS 137 N 0.00 -0.29 0.00 0.81 3.64 -0.80 -3.35 116.57 116.58 3hw3 h LYS 137 Ca -0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3hw3 h LYS 137 Cb 0.87 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3hw3 h LYS 137 CO 0.05 0.06 -0.26 -0.84 -2.27 0.00 0.00 179.45 176.19 3hw3 h ILE 138 N -0.93 0.64 -6.78 2.00 3.07 -1.39 -3.48 117.51 110.63 3hw3 h ILE 138 Ca -0.03 -1.23 -0.56 0.00 1.55 0.00 0.00 64.86 64.59 3hw3 h ILE 138 Cb 0.49 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.83 3hw3 h ILE 138 CO 0.05 0.26 -0.99 0.29 -1.05 0.00 0.00 178.15 176.71 3hw3 n LYS 139 N -3.43 -0.72 -4.51 0.16 5.02 -0.76 -4.78 118.16 109.14 3hw3 n LYS 139 Ca 0.00 0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 3hw3 n LYS 139 Cb 0.45 -3.11 -0.15 0.00 -0.02 0.00 0.00 35.03 32.20 3hw3 n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hw3 s SER 140 N -3.68 1.38 0.00 4.39 0.15 -1.26 -5.02 113.70 109.67 3hw3 s SER 140 Ca 0.40 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.08 3hw3 s SER 140 Cb -0.20 -0.19 0.49 0.00 -1.71 0.00 0.00 66.02 64.41 3hw3 s SER 140 CO 0.95 0.14 1.43 -0.62 1.20 0.00 0.00 173.24 176.33 3hw3 n GLU 141 N 2.86 2.17 -0.01 5.44 1.02 -1.26 -4.47 120.64 126.39 3hw3 n GLU 141 Ca -0.14 -1.73 -0.00 0.00 -0.02 0.00 0.00 57.16 55.27 3hw3 n GLU 141 Cb 0.56 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 3hw3 n GLU 141 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hw3 n LYS 142 N 1.03 2.07 -2.68 3.49 4.01 -1.26 -4.99 118.16 119.82 3hw3 n LYS 142 Ca 0.17 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.53 3hw3 n LYS 142 Cb 0.52 -1.07 -0.03 0.00 -0.51 0.00 0.00 35.03 33.95 3hw3 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3hw3 s THR 143 N -2.12 4.78 0.27 -0.18 2.01 -1.26 -4.55 115.64 114.58 3hw3 s THR 143 Ca -0.01 2.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 3hw3 s THR 143 Cb 0.01 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 3hw3 s THR 143 CO 0.11 0.03 0.97 -2.28 -0.69 0.00 0.00 174.62 172.75 3hw3 s HIS 144 N 1.88 3.84 -0.08 4.92 2.46 -0.04 -4.90 115.29 123.35 3hw3 s HIS 144 Ca 0.49 1.85 0.04 0.00 0.47 0.00 0.00 55.06 57.91 3hw3 s HIS 144 Cb -0.19 -3.01 -0.01 0.00 -0.13 0.00 0.00 32.58 29.24 3hw3 s HIS 144 CO 0.19 0.23 -0.23 0.42 -2.47 0.00 0.00 174.74 172.88 3hw3 s ILE 145 N -1.30 2.22 -0.15 0.89 1.01 -1.26 0.15 121.20 122.76 3hw3 s ILE 145 Ca 0.44 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3hw3 s ILE 145 Cb -0.25 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.43 3hw3 s ILE 145 CO 0.31 0.56 0.02 -2.28 0.00 0.00 0.00 174.94 173.55 3hw3 s HIS 146 N 0.10 0.91 -0.11 3.97 2.46 -0.43 -1.05 115.29 121.14 3hw3 s HIS 146 Ca -0.11 -0.63 -0.02 0.00 0.47 0.00 0.00 55.06 54.78 3hw3 s HIS 146 Cb -0.16 -0.96 -0.03 0.00 -0.13 0.00 0.00 32.58 31.30 3hw3 s HIS 146 CO 0.06 -0.52 -0.02 0.42 -2.47 0.00 0.00 174.74 172.21 3hw3 s ILE 147 N 1.90 4.09 0.06 0.89 -1.09 0.09 -1.39 121.20 125.74 3hw3 s ILE 147 Ca 0.01 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.21 3hw3 s ILE 147 Cb -0.15 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 3hw3 s ILE 147 CO -0.07 0.57 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.58 3hw3 s PHE 148 N -0.47 2.33 0.26 3.97 0.40 0.46 -1.54 117.98 123.39 3hw3 s PHE 148 Ca 0.08 -0.41 0.11 0.00 -0.60 0.00 0.00 56.93 56.11 3hw3 s PHE 148 Cb -0.12 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 3hw3 s PHE 148 CO 0.02 0.15 -0.10 -1.54 0.70 0.00 0.00 175.22 174.45 3hw3 s SER 149 N -1.35 4.08 0.00 1.36 1.04 -0.41 -1.21 113.70 117.21 3hw3 s SER 149 Ca 0.12 -0.81 0.11 0.00 0.48 0.00 0.00 55.95 55.85 3hw3 s SER 149 Cb -0.10 -0.58 0.64 0.00 0.10 0.00 0.00 66.02 66.08 3hw3 s SER 149 CO 0.03 0.03 1.09 0.49 0.98 0.00 0.00 173.24 175.86 3hw3 n PHE 150 N -0.67 0.00 0.40 5.02 3.01 -1.15 -2.57 117.46 121.51 3hw3 n PHE 150 Ca -0.06 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.51 3hw3 n PHE 150 Cb 0.59 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 40.05 3hw3 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw3 n THR 151 N -1.01 0.26 0.00 4.37 -2.24 -1.26 -4.70 114.28 109.70 3hw3 n THR 151 Ca 0.08 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hw3 n THR 151 Cb 0.04 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3hw3 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw3 n GLY 152 N 1.31 1.59 3.77 3.38 0.00 -1.06 -5.08 105.19 109.10 3hw3 n GLY 152 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3hw3 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw3 s GLU 153 N -0.81 3.59 0.07 1.61 2.12 -1.26 -4.86 118.70 119.16 3hw3 s GLU 153 Ca 0.00 1.70 -0.06 0.00 0.36 0.00 0.00 54.97 56.97 3hw3 s GLU 153 Cb 0.00 -2.23 -0.01 0.00 0.26 0.00 0.00 34.13 32.14 3hw3 s GLU 153 CO 0.00 -0.67 0.11 -1.83 -0.54 0.00 0.00 175.26 172.33 3hw3 s GLU 154 N -2.95 0.74 -0.13 4.30 -1.05 -1.26 -1.29 118.70 117.06 3hw3 s GLU 154 Ca 0.67 -1.00 -0.07 0.00 -0.15 0.00 0.00 54.97 54.42 3hw3 s GLU 154 Cb -0.26 0.29 0.05 0.00 -0.44 0.00 0.00 34.13 33.77 3hw3 s GLU 154 CO 0.31 -0.20 0.32 1.41 0.95 0.00 0.00 175.26 178.04 3hw3 s MET 155 N -3.69 0.29 0.04 -4.83 1.75 -0.59 -5.00 119.30 107.27 3hw3 s MET 155 Ca 0.04 0.63 0.03 0.00 -1.25 0.00 0.00 55.69 55.14 3hw3 s MET 155 Cb 0.05 -0.06 -0.02 0.00 2.84 0.00 0.00 34.83 37.63 3hw3 s MET 155 CO -0.10 -0.15 -0.09 0.00 -0.65 0.00 0.00 175.02 174.03 3hw3 s ALA 156 N 1.24 0.69 0.03 4.11 0.00 -1.26 -0.73 121.76 125.83 3hw3 s ALA 156 Ca -0.09 -0.75 -0.36 0.00 0.00 0.00 0.00 51.96 50.76 3hw3 s ALA 156 Cb -0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 23.12 22.87 3hw3 s ALA 156 CO -0.10 0.04 1.53 2.41 0.00 0.00 0.00 175.76 179.64 3hw3 n THR 157 N 1.60 0.12 -1.81 0.00 -1.04 -0.22 -1.44 114.28 111.49 3hw3 n THR 157 Ca -0.21 -0.02 -0.19 0.00 -2.04 0.00 0.00 64.05 61.59 3hw3 n THR 157 Cb 0.55 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.80 3hw3 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw3 n LYS 158 N 3.70 -1.38 -2.67 -2.82 5.02 -1.26 -1.63 118.16 117.12 3hw3 n LYS 158 Ca 0.20 1.09 -0.17 0.00 -2.02 0.00 0.00 58.31 57.41 3hw3 n LYS 158 Cb 0.22 -5.48 -0.00 0.00 -0.02 0.00 0.00 35.03 29.75 3hw3 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw3 n ALA 159 N 0.32 -0.82 -3.03 7.82 0.00 -0.52 -4.94 120.51 119.34 3hw3 n ALA 159 Ca -0.20 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3hw3 n ALA 159 Cb 0.64 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 3hw3 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw3 s ASP 160 N -2.24 5.80 0.00 0.00 2.15 -0.65 -4.97 116.67 116.75 3hw3 s ASP 160 Ca 0.11 -1.31 0.27 0.00 0.43 0.00 0.00 52.55 52.05 3hw3 s ASP 160 Cb -0.05 -2.05 0.86 0.00 -0.30 0.00 0.00 42.92 41.38 3hw3 s ASP 160 CO 0.13 -0.52 1.63 -1.22 -0.17 0.00 0.00 175.17 175.03 3hw3 n TYR 161 N 5.01 0.00 0.00 -5.34 4.02 -1.26 -4.39 117.16 115.21 3hw3 n TYR 161 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3hw3 n TYR 161 Cb 0.44 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3hw3 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw3 n THR 162 N 0.07 0.00 -2.87 -0.72 -1.04 -1.26 -4.81 114.28 103.65 3hw3 n THR 162 Ca 0.16 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.91 3hw3 n THR 162 Cb 0.38 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.88 3hw3 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw3 s LEU 163 N 0.00 3.76 0.82 -4.42 1.43 -1.26 -5.09 118.68 113.92 3hw3 s LEU 163 Ca 0.00 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3hw3 s LEU 163 Cb 0.00 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3hw3 s LEU 163 CO 0.00 -0.48 1.10 1.51 0.23 0.00 0.00 176.35 178.71 3hw3 s ASP 164 N -3.98 4.21 0.23 2.29 3.84 -1.26 -4.83 116.67 117.17 3hw3 s ASP 164 Ca 0.46 1.36 -0.09 0.00 -0.00 0.00 0.00 52.55 54.28 3hw3 s ASP 164 Cb -0.10 -2.08 0.37 0.00 -1.38 0.00 0.00 42.92 39.73 3hw3 s ASP 164 CO 0.41 -2.15 1.64 -0.33 -0.00 0.00 0.00 175.17 174.73 3hw3 h GLU 165 N -1.22 0.08 0.07 2.11 4.39 -1.98 -2.30 114.58 115.73 3hw3 h GLU 165 Ca -0.48 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.22 3hw3 h GLU 165 Cb 1.27 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3hw3 h GLU 165 CO 0.58 0.05 -0.08 1.49 -1.16 0.00 0.00 179.01 179.89 3hw3 h GLU 166 N 0.09 -0.17 -0.76 2.33 4.81 -1.99 0.21 114.58 119.10 3hw3 h GLU 166 Ca 0.38 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 3hw3 h GLU 166 Cb 0.64 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 3hw3 h GLU 166 CO -0.64 -0.12 0.45 1.03 -0.73 0.00 0.00 179.01 179.01 3hw3 h SER 167 N -0.18 0.71 0.31 1.04 0.87 -1.86 -1.82 113.55 112.62 3hw3 h SER 167 Ca 0.01 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.40 3hw3 h SER 167 Cb 0.18 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3hw3 h SER 167 CO -0.04 0.46 -0.78 0.03 -0.53 0.00 0.00 176.83 175.98 3hw3 h ARG 168 N 0.84 0.38 -0.55 2.24 3.08 -1.13 -2.63 114.38 116.61 3hw3 h ARG 168 Ca 0.33 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hw3 h ARG 168 Cb 0.14 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3hw3 h ARG 168 CO -0.16 0.98 0.15 0.00 -1.07 0.00 0.00 179.97 179.87 3hw3 h ALA 169 N 0.92 1.23 -0.65 0.04 0.00 -0.81 -1.25 119.26 118.74 3hw3 h ALA 169 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hw3 h ALA 169 Cb 1.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hw3 h ALA 169 CO 0.13 0.54 0.38 0.00 0.00 0.00 0.00 179.25 180.30 3hw3 h ARG 170 N 0.81 0.89 0.21 0.00 3.08 -1.23 0.11 114.38 118.26 3hw3 h ARG 170 Ca 0.18 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hw3 h ARG 170 Cb 0.27 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3hw3 h ARG 170 CO -0.00 0.64 -0.20 0.82 -1.07 0.00 0.00 179.97 180.16 3hw3 h ILE 171 N 0.88 0.56 -0.50 2.04 2.04 -1.09 -1.99 117.51 119.46 3hw3 h ILE 171 Ca 0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 3hw3 h ILE 171 Cb -0.00 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3hw3 h ILE 171 CO -0.04 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.55 3hw3 h LYS 172 N -0.44 0.52 -0.41 2.37 1.57 -1.10 -0.77 116.57 118.30 3hw3 h LYS 172 Ca -0.00 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3hw3 h LYS 172 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hw3 h LYS 172 CO -0.04 0.34 -0.05 1.15 -0.57 0.00 0.00 179.45 180.28 3hw3 h THR 173 N 0.53 1.27 -0.92 -0.16 2.02 -0.83 -1.99 112.91 112.83 3hw3 h THR 173 Ca 0.20 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3hw3 h THR 173 Cb 0.15 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3hw3 h THR 173 CO -0.05 0.37 0.53 -0.09 0.37 0.00 0.00 175.52 176.65 3hw3 h ARG 174 N 0.58 1.27 -0.80 6.66 9.65 -0.70 -1.05 114.38 129.99 3hw3 h ARG 174 Ca 0.11 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3hw3 h ARG 174 Cb 0.55 -0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 3hw3 h ARG 174 CO 0.03 0.90 0.45 -0.07 2.80 0.00 0.00 179.97 184.08 3hw3 h LEU 175 N 1.28 0.98 -0.68 3.80 3.38 -1.00 -1.04 115.31 122.04 3hw3 h LEU 175 Ca 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3hw3 h LEU 175 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3hw3 h LEU 175 CO -0.06 0.79 0.36 -0.26 0.09 0.00 0.00 178.44 179.36 3hw3 h PHE 176 N 1.10 0.94 -0.43 1.13 0.05 -1.13 -1.51 116.94 117.10 3hw3 h PHE 176 Ca 0.28 -0.03 0.03 0.00 3.82 0.00 0.00 57.97 62.07 3hw3 h PHE 176 Cb 0.01 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 37.63 3hw3 h PHE 176 CO 0.00 0.68 0.23 1.15 -0.18 0.00 0.00 178.31 180.18 3hw3 h THR 177 N 0.93 0.99 0.03 -1.55 2.02 -0.74 -0.35 112.91 114.25 3hw3 h THR 177 Ca 0.24 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3hw3 h THR 177 Cb 0.06 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3hw3 h THR 177 CO -0.04 0.08 -0.08 0.40 0.37 0.00 0.00 175.52 176.26 3hw3 h ILE 178 N 0.45 0.81 -0.74 3.11 2.04 -0.96 -0.10 117.51 122.11 3hw3 h ILE 178 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 3hw3 h ILE 178 Cb 0.07 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3hw3 h ILE 178 CO -0.12 0.00 0.43 -0.09 0.00 0.00 0.00 178.15 178.38 3hw3 h ARG 179 N -0.15 0.76 -0.09 2.37 2.43 -1.09 0.31 114.38 118.93 3hw3 h ARG 179 Ca 0.02 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3hw3 h ARG 179 Cb 0.17 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hw3 h ARG 179 CO -0.06 0.51 -0.71 -0.56 -1.51 0.00 0.00 179.97 177.63 3hw3 h GLN 180 N 0.79 0.41 -0.41 0.20 -0.00 -0.71 0.59 115.11 115.98 3hw3 h GLN 180 Ca 0.33 -0.33 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 3hw3 h GLN 180 Cb 0.20 0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.73 3hw3 h GLN 180 CO -0.19 0.96 0.12 1.49 -0.00 0.00 0.00 178.83 181.21 3hw3 h GLU 181 N 0.28 0.64 -0.21 0.06 4.57 -0.77 -1.00 114.58 118.17 3hw3 h GLU 181 Ca -0.03 -0.15 0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3hw3 h GLU 181 Cb 1.28 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 3hw3 h GLU 181 CO 0.12 0.65 -0.03 0.52 -1.18 0.00 0.00 179.01 179.09 3hw3 h MET 182 N 0.52 0.02 -0.86 1.92 2.86 -0.74 -2.84 114.93 115.81 3hw3 h MET 182 Ca 0.13 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.86 3hw3 h MET 182 Cb 0.28 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 3hw3 h MET 182 CO -0.00 0.02 0.52 0.00 1.06 0.00 0.00 176.91 178.50 3hw3 h ALA 183 N 1.19 1.23 -0.99 6.32 0.00 -0.59 -0.69 119.26 125.73 3hw3 h ALA 183 Ca 0.10 0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.25 3hw3 h ALA 183 Cb 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3hw3 h ALA 183 CO -0.19 0.18 0.63 1.03 0.00 0.00 0.00 179.25 180.89 3hw3 h SER 184 N 0.88 0.51 -0.37 0.00 0.87 -0.95 -0.32 113.55 114.18 3hw3 h SER 184 Ca 0.41 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3hw3 h SER 184 Cb 0.32 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3hw3 h SER 184 CO -0.23 0.16 0.00 0.54 -0.53 0.00 0.00 176.83 176.77 3hw3 n ARG 185 N -4.62 2.41 -1.12 2.24 1.74 -0.39 -4.96 116.66 111.95 3hw3 n ARG 185 Ca 0.23 -2.21 -0.04 0.00 -0.77 0.00 0.00 57.85 55.06 3hw3 n ARG 185 Cb 0.75 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 3hw3 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw3 n GLY 186 N 1.36 0.70 0.05 -0.13 0.00 -0.13 -0.62 105.19 106.42 3hw3 n GLY 186 Ca 0.18 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.51 3hw3 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw3 n LEU 187 N -0.47 0.41 -0.05 0.99 4.32 -0.47 -4.52 117.00 117.20 3hw3 n LEU 187 Ca -0.04 0.09 -0.15 0.00 -0.02 0.00 0.00 56.01 55.89 3hw3 n LEU 187 Cb 0.14 -0.03 -0.07 0.00 -1.62 0.00 0.00 43.42 41.84 3hw3 n LEU 187 CO 0.06 -0.05 0.45 -0.25 -1.22 0.00 0.00 177.39 176.39 3hw3 h TRP 188 N 0.00 0.68 -0.52 -1.77 2.91 -1.86 -2.31 115.95 113.09 3hw3 h TRP 188 Ca 0.00 -0.26 0.09 0.00 1.13 0.00 0.00 58.89 59.84 3hw3 h TRP 188 Cb 0.94 -0.12 -0.10 0.00 -0.51 0.00 0.00 29.16 29.37 3hw3 h TRP 188 CO 0.00 1.01 -0.39 0.22 -1.03 0.00 0.00 178.44 178.25 3hw3 h ASP 189 N 0.16 -1.33 -0.25 2.65 1.82 -1.93 0.16 116.42 117.70 3hw3 h ASP 189 Ca -0.01 0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.79 3hw3 h ASP 189 Cb 1.00 0.61 -0.01 0.00 0.68 0.00 0.00 39.33 41.62 3hw3 h ASP 189 CO 0.08 -0.33 -0.10 -1.28 -1.61 0.00 0.00 179.24 176.00 3hw3 h SER 190 N -0.24 0.53 -0.47 2.28 0.87 -1.85 -3.06 113.55 111.61 3hw3 h SER 190 Ca 0.18 -0.39 0.06 0.00 -1.23 0.00 0.00 61.79 60.41 3hw3 h SER 190 Cb 0.56 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 3hw3 h SER 190 CO -0.64 0.80 0.17 0.15 -0.53 0.00 0.00 176.83 176.78 3hw3 h PHE 191 N 0.25 0.30 0.00 2.24 3.57 -0.79 -2.45 116.94 120.05 3hw3 h PHE 191 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hw3 h PHE 191 Cb 0.59 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 3hw3 h PHE 191 CO 0.06 0.11 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.01 3hw3 h ARG 192 N 0.35 0.00 -0.02 1.11 2.43 -0.76 -3.12 114.38 114.38 3hw3 h ARG 192 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hw3 h ARG 192 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hw3 h ARG 192 CO -0.22 0.14 -0.36 1.04 -1.51 0.00 0.00 179.97 179.06 3hw3 n GLN 193 N -3.75 1.28 -0.20 0.20 6.02 -0.95 -4.54 117.38 115.45 3hw3 n GLN 193 Ca -0.02 -1.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.05 3hw3 n GLN 193 Cb 0.25 -1.48 0.18 0.00 1.02 0.00 0.00 30.24 30.22 3hw3 n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hw3 n SER 194 N 0.02 3.09 -4.69 1.08 3.41 -1.04 -4.96 113.62 110.53 3hw3 n SER 194 Ca 0.11 -1.93 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 3hw3 n SER 194 Cb 0.46 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3hw3 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw3 s GLU 195 N -1.06 4.37 0.32 4.33 2.12 -1.26 -5.01 118.70 122.51 3hw3 s GLU 195 Ca 0.29 1.07 0.09 0.00 0.36 0.00 0.00 54.97 56.78 3hw3 s GLU 195 Cb 0.16 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3hw3 s GLU 195 CO 0.21 -0.22 0.10 -0.98 -0.54 0.00 0.00 175.26 173.84 3hw3 s ARG 196 N 1.75 2.35 0.51 4.30 1.70 -1.26 -5.00 118.95 123.29 3hw3 s ARG 196 Ca 0.41 -1.53 -0.23 0.00 -0.47 0.00 0.00 55.73 53.91 3hw3 s ARG 196 Cb -0.17 -2.16 -0.07 0.00 -0.57 0.00 0.00 34.95 31.98 3hw3 s ARG 196 CO 0.16 0.17 1.30 0.41 -1.08 0.00 0.00 175.30 176.26 3hw3 n GLY 197 N -1.08 0.62 0.00 3.88 0.00 -1.26 -5.17 105.19 102.17 3hw3 n GLY 197 Ca -0.04 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3hw3 n GLY 197 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48