#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw4 n GLY -1 N 0.00 1.09 3.33 -3.96 0.00 -0.98 -5.07 105.19 99.60 3hw4 n GLY -1 Ca 0.00 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 3hw4 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw4 s SER 0 N -1.00 4.85 0.17 1.61 0.15 -1.26 -4.94 113.70 113.28 3hw4 s SER 0 Ca 0.00 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 3hw4 s SER 0 Cb 0.00 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.52 3hw4 s SER 0 CO 0.00 -0.13 1.50 -0.03 1.20 0.00 0.00 173.24 175.78 3hw4 h MET 1 N 8.18 0.78 -0.40 5.44 4.05 -1.98 -1.73 114.93 129.26 3hw4 h MET 1 Ca -0.34 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 58.64 3hw4 h MET 1 Cb 1.14 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 3hw4 h MET 1 CO 0.60 1.06 0.22 1.49 0.23 0.00 0.00 176.91 180.51 3hw4 h GLU 2 N 0.62 0.56 -0.51 0.39 4.81 -1.90 0.12 114.58 118.68 3hw4 h GLU 2 Ca 0.04 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3hw4 h GLU 2 Cb 1.01 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.20 3hw4 h GLU 2 CO 0.10 0.45 0.05 -0.44 -0.73 0.00 0.00 179.01 178.43 3hw4 h ASP 3 N 0.52 -0.11 -0.23 1.04 5.19 -1.95 -2.26 116.42 118.61 3hw4 h ASP 3 Ca 0.14 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.69 3hw4 h ASP 3 Cb 0.05 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 3hw4 h ASP 3 CO -0.02 -0.03 0.04 0.15 -3.12 0.00 0.00 179.24 176.26 3hw4 h PHE 4 N 0.17 0.07 -0.88 4.55 3.57 -0.44 -2.18 116.94 121.80 3hw4 h PHE 4 Ca 0.26 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3hw4 h PHE 4 Cb 0.37 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3hw4 h PHE 4 CO -0.27 0.02 0.57 0.28 -2.23 0.00 0.00 178.31 176.67 3hw4 h VAL 5 N 0.13 1.11 0.00 1.41 2.07 -0.76 0.14 116.25 120.36 3hw4 h VAL 5 Ca 0.10 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hw4 h VAL 5 Cb 0.10 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3hw4 h VAL 5 CO -0.14 0.20 0.00 0.03 0.02 0.00 0.00 177.57 177.68 3hw4 h ARG 6 N 1.07 0.00 0.09 1.57 3.08 -1.13 -2.61 114.38 116.45 3hw4 h ARG 6 Ca 0.36 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.07 3hw4 h ARG 6 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3hw4 h ARG 6 CO -0.14 0.00 -1.94 0.00 -1.07 0.00 0.00 179.97 176.82 3hw4 n GLN 7 N -2.80 0.73 0.03 0.04 -0.00 -0.85 -4.62 117.38 109.91 3hw4 n GLN 7 Ca 0.05 0.27 -0.20 0.00 -0.00 0.00 0.00 57.00 57.12 3hw4 n GLN 7 Cb 0.49 -1.72 -0.10 0.00 -0.00 0.00 0.00 30.24 28.91 3hw4 n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hw4 s PHE 9 N -3.41 3.44 0.32 0.00 0.40 -1.00 -5.08 117.98 112.65 3hw4 s PHE 9 Ca -0.10 0.24 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 3hw4 s PHE 9 Cb 0.07 -1.75 -0.13 0.00 0.51 0.00 0.00 43.02 41.72 3hw4 s PHE 9 CO 0.92 0.59 1.26 -1.71 0.70 0.00 0.00 175.22 176.98 3hw4 n ASN 10 N 0.60 2.55 0.15 1.36 5.15 -1.26 -4.76 115.26 119.05 3hw4 n ASN 10 Ca -0.08 1.20 0.13 0.00 -0.60 0.00 0.00 54.58 55.22 3hw4 n ASN 10 Cb 0.52 -1.45 0.65 0.00 -0.53 0.00 0.00 39.78 38.97 3hw4 n ASN 10 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hw4 h PRO 11 N 2.64 0.02 -0.46 1.20 0.11 -1.97 -1.29 132.00 132.25 3hw4 h PRO 11 Ca -0.45 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3hw4 h PRO 11 Cb 1.29 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3hw4 h PRO 11 CO 0.64 0.01 0.19 1.98 -0.21 0.00 0.00 178.00 180.61 3hw4 h MET 12 N 0.02 0.69 -0.13 1.05 1.85 -1.99 -0.16 114.93 116.26 3hw4 h MET 12 Ca 0.10 -0.12 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 3hw4 h MET 12 Cb 0.39 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 3hw4 h MET 12 CO -0.00 0.62 0.07 0.82 -0.40 0.00 0.00 176.91 178.01 3hw4 h ILE 13 N 0.60 1.11 -0.96 1.77 2.04 -1.64 -1.98 117.51 118.45 3hw4 h ILE 13 Ca 0.15 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.80 3hw4 h ILE 13 Cb 0.19 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 3hw4 h ILE 13 CO -0.01 0.10 0.60 0.58 0.00 0.00 0.00 178.15 179.42 3hw4 h VAL 14 N 0.10 1.01 -0.74 1.67 2.07 -1.14 0.17 116.25 119.39 3hw4 h VAL 14 Ca 0.05 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3hw4 h VAL 14 Cb 0.10 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.70 3hw4 h VAL 14 CO -0.01 0.19 0.42 -0.08 0.02 0.00 0.00 177.57 178.11 3hw4 h GLU 15 N 1.05 1.02 -0.12 1.57 4.81 -0.77 -0.75 114.58 121.39 3hw4 h GLU 15 Ca 0.44 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3hw4 h GLU 15 Cb 0.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hw4 h GLU 15 CO -0.21 0.75 -0.58 -0.07 -0.73 0.00 0.00 179.01 178.17 3hw4 h LEU 16 N 1.02 0.44 -0.27 1.64 3.38 -0.51 -2.08 115.31 118.93 3hw4 h LEU 16 Ca 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hw4 h LEU 16 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hw4 h LEU 16 CO -0.04 0.93 0.16 0.00 0.09 0.00 0.00 178.44 179.58 3hw4 h ALA 17 N 1.08 0.35 -0.77 1.53 0.00 -0.84 -0.89 119.26 119.72 3hw4 h ALA 17 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hw4 h ALA 17 Cb 1.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3hw4 h ALA 17 CO 0.10 -0.15 0.49 0.93 0.00 0.00 0.00 179.25 180.63 3hw4 h GLU 18 N 0.34 0.95 -0.48 0.00 5.08 -0.87 -1.97 114.58 117.63 3hw4 h GLU 18 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hw4 h GLU 18 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3hw4 h GLU 18 CO -0.02 0.63 0.27 0.87 -1.00 0.00 0.00 179.01 179.76 3hw4 h LYS 19 N 0.98 0.66 -0.89 2.33 1.79 -1.11 -0.10 116.57 120.23 3hw4 h LYS 19 Ca 0.30 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 3hw4 h LYS 19 Cb -0.03 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.44 3hw4 h LYS 19 CO -0.09 0.51 0.59 0.00 -1.08 0.00 0.00 179.45 179.37 3hw4 h ALA 20 N 1.12 1.15 -0.18 3.86 0.00 -0.82 -1.09 119.26 123.30 3hw4 h ALA 20 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hw4 h ALA 20 Cb 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3hw4 h ALA 20 CO -0.03 0.49 -0.26 0.52 0.00 0.00 0.00 179.25 179.97 3hw4 h MET 21 N 1.17 0.49 0.00 0.00 2.86 -0.94 -3.04 114.93 115.48 3hw4 h MET 21 Ca 0.34 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3hw4 h MET 21 Cb -0.08 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3hw4 h MET 21 CO -0.09 0.89 -0.18 0.87 1.06 0.00 0.00 176.91 179.46 3hw4 h LYS 22 N 0.14 0.00 -1.12 1.72 1.57 -0.88 -0.24 116.57 117.75 3hw4 h LYS 22 Ca 0.02 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.11 3hw4 h LYS 22 Cb 0.84 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.06 3hw4 h LYS 22 CO 0.06 0.18 0.75 1.49 -0.57 0.00 0.00 179.45 181.36 3hw4 h GLU 23 N 0.00 0.23 -0.40 3.15 4.81 -1.07 -2.19 114.58 119.11 3hw4 h GLU 23 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hw4 h GLU 23 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hw4 h GLU 23 CO 0.02 0.15 0.00 0.66 -0.73 0.00 0.00 179.01 179.12 3hw4 n TYR 24 N -4.50 0.74 -1.15 0.92 4.02 -0.36 -4.96 117.16 111.86 3hw4 n TYR 24 Ca 0.27 -0.59 -0.05 0.00 -0.01 0.00 0.00 57.90 57.51 3hw4 n TYR 24 Cb 1.05 -0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 40.24 3hw4 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw4 n GLY 25 N 0.46 0.77 3.89 2.72 0.00 -0.82 -5.02 105.19 107.19 3hw4 n GLY 25 Ca 0.16 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3hw4 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw4 s GLU 26 N -2.25 3.65 -0.28 1.61 2.02 -0.25 -4.95 118.70 118.26 3hw4 s GLU 26 Ca 0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.88 3hw4 s GLU 26 Cb 0.00 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 3hw4 s GLU 26 CO 0.00 0.54 0.14 0.34 0.02 0.00 0.00 175.26 176.29 3hw4 s ASP 27 N -2.08 5.59 0.47 -0.19 3.68 -1.26 -3.63 116.67 119.24 3hw4 s ASP 27 Ca 0.36 -0.19 0.26 0.00 2.13 0.00 0.00 52.55 55.10 3hw4 s ASP 27 Cb -0.13 -2.02 1.30 0.00 -1.45 0.00 0.00 42.92 40.61 3hw4 s ASP 27 CO 0.21 -0.08 1.82 -0.65 0.13 0.00 0.00 175.17 176.60 3hw4 h PRO 28 N 8.32 0.21 0.00 4.34 0.11 -1.93 0.12 132.00 143.16 3hw4 h PRO 28 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hw4 h PRO 28 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hw4 h PRO 28 CO 0.58 0.14 0.00 0.36 -0.21 0.00 0.00 178.00 178.86 3hw4 n LYS 29 N -4.42 0.05 -0.06 1.05 2.85 -1.26 -3.82 118.16 112.55 3hw4 n LYS 29 Ca 0.23 0.03 -0.07 0.00 -1.05 0.00 0.00 58.31 57.45 3hw4 n LYS 29 Cb 0.97 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.82 3hw4 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3hw4 n ILE 30 N -1.47 1.36 -2.16 0.58 5.41 0.18 -4.69 119.36 118.57 3hw4 n ILE 30 Ca 0.07 0.20 -0.42 0.00 1.00 0.00 0.00 62.75 63.60 3hw4 n ILE 30 Cb 0.31 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.08 3hw4 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw4 n GLU 31 N -4.17 3.41 0.08 0.38 -0.58 0.03 -4.74 120.64 115.04 3hw4 n GLU 31 Ca -0.11 -3.27 -0.07 0.00 -0.42 0.00 0.00 57.16 53.30 3hw4 n GLU 31 Cb 0.40 -3.02 -0.06 0.00 -0.57 0.00 0.00 31.44 28.18 3hw4 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw4 h THR 32 N 3.81 1.64 -0.51 2.62 1.35 -1.83 -1.25 112.91 118.73 3hw4 h THR 32 Ca 0.44 -3.11 -0.01 0.00 -0.55 0.00 0.00 66.41 63.18 3hw4 h THR 32 Cb 0.63 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.73 3hw4 h THR 32 CO 1.70 0.89 0.27 0.78 -0.25 0.00 0.00 175.52 178.92 3hw4 h ASN 33 N 0.01 0.64 -0.82 5.36 2.35 -1.91 -0.91 115.58 120.31 3hw4 h ASN 33 Ca -0.02 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 3hw4 h ASN 33 Cb 1.64 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.81 3hw4 h ASN 33 CO 0.13 0.56 0.35 0.50 -1.65 0.00 0.00 177.43 177.32 3hw4 h LYS 34 N 0.68 1.21 -0.14 0.81 3.64 -1.92 -0.79 116.57 120.06 3hw4 h LYS 34 Ca 0.18 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3hw4 h LYS 34 Cb 0.06 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3hw4 h LYS 34 CO -0.03 0.96 -0.05 0.35 -2.27 0.00 0.00 179.45 178.41 3hw4 h PHE 35 N 1.18 -0.11 -0.59 1.91 -0.00 -1.03 0.30 116.94 118.60 3hw4 h PHE 35 Ca 0.28 0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.28 3hw4 h PHE 35 Cb 0.18 0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.17 3hw4 h PHE 35 CO 0.02 -0.08 0.37 0.00 -0.00 0.00 0.00 178.31 178.61 3hw4 h ALA 36 N 1.11 0.75 -0.27 2.41 0.00 -0.96 -1.12 119.26 121.19 3hw4 h ALA 36 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3hw4 h ALA 36 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hw4 h ALA 36 CO -0.16 0.11 -0.49 0.00 0.00 0.00 0.00 179.25 178.71 3hw4 h ALA 37 N 1.24 0.63 -0.10 0.00 0.00 -0.36 -1.32 119.26 119.36 3hw4 h ALA 37 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hw4 h ALA 37 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hw4 h ALA 37 CO -0.08 0.68 0.06 0.82 0.00 0.00 0.00 179.25 180.72 3hw4 h ILE 38 N 0.57 1.02 -0.56 0.00 2.04 -0.29 -1.24 117.51 119.06 3hw4 h ILE 38 Ca 0.03 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3hw4 h ILE 38 Cb 1.06 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 3hw4 h ILE 38 CO 0.10 0.02 0.24 0.00 0.00 0.00 0.00 178.15 178.51 3hw4 h THR 40 N 0.45 1.14 -0.38 0.00 2.02 -0.96 0.10 112.91 115.28 3hw4 h THR 40 Ca 0.27 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 3hw4 h THR 40 Cb 0.26 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3hw4 h THR 40 CO -0.24 0.14 -0.18 -0.74 0.37 0.00 0.00 175.52 174.88 3hw4 h HIS 41 N 0.54 0.81 -0.35 3.16 6.17 -0.95 0.11 115.15 124.64 3hw4 h HIS 41 Ca 0.15 -0.17 -0.04 0.00 0.71 0.00 0.00 60.37 61.02 3hw4 h HIS 41 Cb 0.02 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.73 3hw4 h HIS 41 CO -0.03 0.85 0.07 -0.07 0.71 0.00 0.00 177.93 179.46 3hw4 h LEU 42 N 0.64 0.55 -0.57 0.26 -0.00 -0.77 -1.04 115.31 114.39 3hw4 h LEU 42 Ca 0.10 -0.25 -0.12 0.00 -0.00 0.00 0.00 57.88 57.61 3hw4 h LEU 42 Cb 0.66 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3hw4 h LEU 42 CO 0.05 0.65 -0.18 -0.08 -0.00 0.00 0.00 178.44 178.88 3hw4 h GLU 43 N 0.42 0.95 -0.32 1.13 4.81 -0.70 -1.73 114.58 119.14 3hw4 h GLU 43 Ca 0.11 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3hw4 h GLU 43 Cb 0.33 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3hw4 h GLU 43 CO 0.00 1.05 0.15 0.28 -0.73 0.00 0.00 179.01 179.76 3hw4 h VAL 44 N 0.83 0.98 -0.99 0.32 2.07 -0.53 0.24 116.25 119.18 3hw4 h VAL 44 Ca 0.12 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3hw4 h VAL 44 Cb 0.74 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3hw4 h VAL 44 CO 0.06 0.06 0.65 0.00 0.02 0.00 0.00 177.57 178.36 3hw4 h PHE 46 N 1.26 0.46 -0.81 0.00 0.04 -1.02 -2.69 116.94 114.17 3hw4 h PHE 46 Ca 0.39 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 61.12 3hw4 h PHE 46 Cb -0.00 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3hw4 h PHE 46 CO -0.00 0.50 0.53 0.52 -0.60 0.00 0.00 178.31 179.26 3hw4 h MET 47 N 0.28 1.07 -0.46 1.51 2.86 -0.52 -1.53 114.93 118.12 3hw4 h MET 47 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3hw4 h MET 47 Cb 0.27 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3hw4 h MET 47 CO -0.00 0.71 -0.01 -0.92 1.06 0.00 0.00 176.91 177.75 3hw4 h TYR 48 N 1.10 0.82 -0.02 -0.22 5.03 -0.56 -2.84 116.97 120.28 3hw4 h TYR 48 Ca 0.29 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.49 3hw4 h TYR 48 Cb -0.12 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 37.94 3hw4 h TYR 48 CO 0.00 0.76 -0.38 -1.13 -1.32 0.00 0.00 178.16 176.09 3hw4 n SER 49 N -4.22 1.90 0.22 -2.11 3.41 -1.03 -4.78 113.62 107.00 3hw4 n SER 49 Ca 0.02 -1.43 -0.14 0.00 -0.26 0.00 0.00 58.87 57.06 3hw4 n SER 49 Cb 0.30 0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 3hw4 n SER 49 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hw4 h ASP 50 N 2.38 -0.47 -1.06 4.04 3.32 -1.03 -3.30 116.42 120.30 3hw4 h ASP 50 Ca 0.00 -0.11 -0.59 0.00 0.02 0.00 0.00 57.03 56.35 3hw4 h ASP 50 Cb 0.72 0.12 -0.40 0.00 0.22 0.00 0.00 39.33 40.00 3hw4 h ASP 50 CO 0.00 -0.13 -0.42 0.49 -1.72 0.00 0.00 179.24 177.45 3hw4 n PHE 51 N -5.22 3.00 -4.75 4.55 3.72 -1.26 -4.97 117.46 112.53 3hw4 n PHE 51 Ca -0.10 -2.57 -0.33 0.00 -0.05 0.00 0.00 57.45 54.40 3hw4 n PHE 51 Cb 0.29 -0.50 -0.14 0.00 -0.94 0.00 0.00 39.48 38.19 3hw4 n PHE 51 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3hw4 s HIS 52 N -3.65 2.82 0.04 1.38 3.76 -1.24 -5.08 115.29 113.32 3hw4 s HIS 52 Ca 0.52 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 3hw4 s HIS 52 Cb 0.42 -1.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 3hw4 s HIS 52 CO -0.05 -0.16 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.50 3hw4 s PHE 53 N 0.26 0.97 0.22 1.40 0.08 -1.26 -0.87 117.98 118.78 3hw4 s PHE 53 Ca -0.09 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 3hw4 s PHE 53 Cb -0.15 -0.57 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 3hw4 s PHE 53 CO 0.05 -0.00 1.38 -1.01 -0.10 0.00 0.00 175.22 175.54 3hw4 s HIS 74 N -1.06 3.13 0.18 0.36 0.09 -1.26 -5.08 115.29 111.65 3hw4 s HIS 74 Ca -0.03 1.10 -0.05 0.00 -0.00 0.00 0.00 55.06 56.08 3hw4 s HIS 74 Cb -0.09 -3.72 0.07 0.00 -0.00 0.00 0.00 32.58 28.84 3hw4 s HIS 74 CO 0.01 -2.33 1.49 -0.09 -0.00 0.00 0.00 174.74 173.82 3hw4 h ARG 75 N 5.24 0.63 -6.45 1.40 2.43 -1.34 -3.46 114.38 112.83 3hw4 h ARG 75 Ca -0.45 -0.39 -0.70 0.00 -0.81 0.00 0.00 59.98 57.63 3hw4 h ARG 75 Cb 1.22 0.04 -0.28 0.00 -0.42 0.00 0.00 29.97 30.53 3hw4 h ARG 75 CO 0.78 1.01 -0.85 -0.06 -1.51 0.00 0.00 179.97 179.34 3hw4 s PHE 76 N -4.04 2.48 -0.20 2.20 0.40 -1.26 -0.04 117.98 117.51 3hw4 s PHE 76 Ca -0.08 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 3hw4 s PHE 76 Cb 0.11 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 3hw4 s PHE 76 CO 0.85 0.03 0.39 -2.00 0.70 0.00 0.00 175.22 175.19 3hw4 s GLU 77 N -0.61 4.17 -0.15 0.44 2.56 0.76 -4.92 118.70 120.94 3hw4 s GLU 77 Ca 0.09 0.19 -0.25 0.00 0.00 0.00 0.00 54.97 55.00 3hw4 s GLU 77 Cb -0.11 -3.53 -0.02 0.00 2.00 0.00 0.00 34.13 32.47 3hw4 s GLU 77 CO -0.00 -0.03 0.82 0.42 -0.56 0.00 0.00 175.26 175.92 3hw4 s ILE 78 N 1.28 4.90 -0.26 -3.70 1.01 -1.26 -0.52 121.20 122.64 3hw4 s ILE 78 Ca 0.19 1.63 -0.05 0.00 0.00 0.00 0.00 60.65 62.42 3hw4 s ILE 78 Cb -0.15 -4.13 -0.14 0.00 0.01 0.00 0.00 42.46 38.05 3hw4 s ILE 78 CO 0.08 0.05 -0.28 -0.38 0.00 0.00 0.00 174.94 174.41 3hw4 n ILE 79 N 4.63 1.46 -1.74 2.92 2.08 0.14 -4.89 119.36 123.95 3hw4 n ILE 79 Ca 0.04 -0.48 -0.39 0.00 0.56 0.00 0.00 62.75 62.48 3hw4 n ILE 79 Cb 0.49 -1.60 0.03 0.00 -0.75 0.00 0.00 39.64 37.81 3hw4 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw4 n GLU 80 N -3.66 1.91 0.00 0.38 4.07 -0.27 -2.77 120.64 120.29 3hw4 n GLU 80 Ca -0.48 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 3hw4 n GLU 80 Cb 0.93 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 3hw4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw4 n GLY 81 N 0.71 3.06 3.91 8.31 0.00 -1.26 -5.05 105.19 114.86 3hw4 n GLY 81 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3hw4 n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hw4 s ARG 82 N -0.59 3.26 0.54 1.61 1.70 -1.11 -5.01 118.95 119.33 3hw4 s ARG 82 Ca 0.00 0.17 -0.21 0.00 -0.47 0.00 0.00 55.73 55.22 3hw4 s ARG 82 Cb 0.00 -2.29 -0.06 0.00 -0.57 0.00 0.00 34.95 32.03 3hw4 s ARG 82 CO 0.00 -0.48 1.19 -3.47 -1.08 0.00 0.00 175.30 171.46 3hw4 n ASP 83 N -2.47 1.92 0.21 -2.89 4.64 -1.26 -4.69 116.55 112.01 3hw4 n ASP 83 Ca 0.03 0.95 0.06 0.00 -1.38 0.00 0.00 54.79 54.45 3hw4 n ASP 83 Cb 0.56 -1.49 0.47 0.00 -1.04 0.00 0.00 41.12 39.63 3hw4 n ASP 83 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3hw4 h ARG 84 N 1.22 0.00 -0.36 -0.67 3.08 -1.96 0.81 114.38 116.50 3hw4 h ARG 84 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3hw4 h ARG 84 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3hw4 h ARG 84 CO 0.55 0.28 0.11 1.15 -1.07 0.00 0.00 179.97 181.00 3hw4 h THR 85 N 0.00 1.21 -0.44 2.04 2.02 -2.00 -0.86 112.91 114.89 3hw4 h THR 85 Ca -0.00 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 3hw4 h THR 85 Cb 0.60 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3hw4 h THR 85 CO 0.04 0.24 -0.18 -0.03 0.37 0.00 0.00 175.52 175.95 3hw4 h MET 86 N 0.43 0.90 0.22 6.66 1.85 -1.80 -1.48 114.93 121.71 3hw4 h MET 86 Ca 0.12 -0.38 -0.01 0.00 -0.61 0.00 0.00 59.70 58.82 3hw4 h MET 86 Cb 0.26 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.26 3hw4 h MET 86 CO -0.00 1.03 -0.10 0.00 -0.40 0.00 0.00 176.91 177.43 3hw4 h ALA 87 N 0.84 -0.29 -0.16 0.39 0.00 -0.76 -0.85 119.26 118.43 3hw4 h ALA 87 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hw4 h ALA 87 Cb 0.75 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hw4 h ALA 87 CO 0.06 -0.65 -0.09 -1.49 0.00 0.00 0.00 179.25 177.08 3hw4 h TRP 88 N -0.32 0.26 -0.41 0.00 4.06 -1.11 -0.88 115.95 117.55 3hw4 h TRP 88 Ca -0.03 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 3hw4 h TRP 88 Cb 0.24 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3hw4 h TRP 88 CO -0.06 0.34 0.06 1.15 -3.56 0.00 0.00 178.44 176.38 3hw4 h THR 89 N 0.24 1.25 -0.17 1.49 2.02 -0.88 0.00 112.91 116.87 3hw4 h THR 89 Ca 0.05 -0.89 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 3hw4 h THR 89 Cb 0.31 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3hw4 h THR 89 CO 0.02 0.31 -0.55 1.62 0.37 0.00 0.00 175.52 177.28 3hw4 h VAL 90 N 0.54 1.33 -0.37 3.16 3.04 -0.65 -0.85 116.25 122.44 3hw4 h VAL 90 Ca 0.12 -1.82 -0.00 0.00 -1.01 0.00 0.00 66.70 63.99 3hw4 h VAL 90 Cb 0.39 1.80 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 3hw4 h VAL 90 CO 0.01 0.56 0.22 0.58 -1.01 0.00 0.00 177.57 177.93 3hw4 h VAL 91 N 0.39 1.13 -0.56 1.51 2.07 -1.03 -1.39 116.25 118.37 3hw4 h VAL 91 Ca 0.01 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3hw4 h VAL 91 Cb 1.09 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3hw4 h VAL 91 CO 0.10 0.13 0.09 0.78 0.02 0.00 0.00 177.57 178.69 3hw4 h ASN 92 N 0.48 0.89 -0.55 0.57 4.21 -0.85 -2.03 115.58 118.31 3hw4 h ASN 92 Ca 0.13 -0.26 0.02 0.00 1.21 0.00 0.00 56.30 57.40 3hw4 h ASN 92 Cb 0.02 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.95 3hw4 h ASN 92 CO -0.02 0.93 0.35 -1.28 -1.29 0.00 0.00 177.43 176.12 3hw4 h SER 93 N 0.82 0.59 0.05 5.81 0.87 -0.97 -1.50 113.55 119.23 3hw4 h SER 93 Ca 0.17 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hw4 h SER 93 Cb 0.42 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3hw4 h SER 93 CO 0.01 0.42 -0.02 0.40 -0.53 0.00 0.00 176.83 177.11 3hw4 h ILE 94 N 0.71 0.97 -0.09 2.23 2.04 -1.17 -0.95 117.51 121.24 3hw4 h ILE 94 Ca 0.21 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 3hw4 h ILE 94 Cb -0.03 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hw4 h ILE 94 CO -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 178.08 3hw4 h ASN 96 N 0.13 0.00 0.00 0.00 2.35 -1.03 -3.24 115.58 113.79 3hw4 h ASN 96 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hw4 h ASN 96 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3hw4 h ASN 96 CO 0.00 0.29 0.00 0.41 -1.65 0.00 0.00 177.43 176.49 3hw4 n THR 97 N -2.89 0.00 -1.20 2.81 -1.04 -0.38 -4.74 114.28 106.83 3hw4 n THR 97 Ca -0.03 0.84 -0.29 0.00 -2.04 0.00 0.00 64.05 62.54 3hw4 n THR 97 Cb 0.68 -1.76 0.18 0.00 -1.82 0.00 0.00 70.33 67.61 3hw4 n THR 97 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hw4 s THR 98 N -1.62 2.00 -0.35 12.58 -4.23 -0.55 -4.94 115.64 118.52 3hw4 s THR 98 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 3hw4 s THR 98 Cb 0.00 -2.52 0.52 0.00 1.34 0.00 0.00 72.50 71.85 3hw4 s THR 98 CO 0.00 0.00 1.56 0.61 -0.54 0.00 0.00 174.62 176.25 3hw4 n GLY 99 N -1.19 5.08 3.75 3.99 0.00 -1.25 -4.42 105.19 111.16 3hw4 n GLY 99 Ca 0.05 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3hw4 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw4 s VAL 100 N -3.52 2.17 0.67 1.61 1.01 -1.22 -4.98 120.40 116.14 3hw4 s VAL 100 Ca 0.49 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 3hw4 s VAL 100 Cb 0.43 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3hw4 s VAL 100 CO 0.01 0.03 1.29 -0.70 0.00 0.00 0.00 175.10 175.73 3hw4 s GLU 101 N -0.65 2.42 -0.04 2.72 2.12 -1.26 -4.57 118.70 119.43 3hw4 s GLU 101 Ca 0.61 2.04 -0.23 0.00 0.36 0.00 0.00 54.97 57.75 3hw4 s GLU 101 Cb -0.47 -1.83 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 3hw4 s GLU 101 CO 0.49 -1.69 0.69 0.21 -0.54 0.00 0.00 175.26 174.42 3hw4 s LYS 102 N -3.48 4.43 0.61 4.30 2.20 -1.26 -5.00 119.74 121.54 3hw4 s LYS 102 Ca 0.82 0.89 -0.18 0.00 -0.36 0.00 0.00 55.97 57.13 3hw4 s LYS 102 Cb -0.37 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 3hw4 s LYS 102 CO 0.41 0.15 1.18 -2.14 -0.36 0.00 0.00 175.35 174.59 3hw4 s PRO 103 N 0.49 2.94 0.22 4.03 0.02 -1.26 -4.95 135.00 136.48 3hw4 s PRO 103 Ca 0.37 1.72 0.09 0.00 0.02 0.00 0.00 61.00 63.20 3hw4 s PRO 103 Cb -0.18 -1.94 0.14 0.00 0.02 0.00 0.00 34.50 32.54 3hw4 s PRO 103 CO 0.19 -1.21 1.48 0.87 -0.33 0.00 0.00 177.00 178.00 3hw4 h LYS 104 N 0.71 0.00 -5.71 5.54 1.79 -1.95 -3.46 116.57 113.50 3hw4 h LYS 104 Ca -0.50 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.50 3hw4 h LYS 104 Cb 1.28 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.74 3hw4 h LYS 104 CO 0.55 0.76 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.83 3hw4 s PHE 105 N -3.26 1.56 0.22 -1.35 0.08 -1.26 -5.10 117.98 108.86 3hw4 s PHE 105 Ca -0.00 -0.48 -0.31 0.00 0.12 0.00 0.00 56.93 56.26 3hw4 s PHE 105 Cb 0.12 -0.82 -0.10 0.00 -0.57 0.00 0.00 43.02 41.64 3hw4 s PHE 105 CO 0.78 0.18 1.49 -0.51 -0.10 0.00 0.00 175.22 177.06 3hw4 s LEU 106 N -2.23 4.38 0.00 -0.37 1.43 -1.26 -4.99 118.68 115.64 3hw4 s LEU 106 Ca 0.08 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 3hw4 s LEU 106 Cb -0.07 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.60 3hw4 s LEU 106 CO 0.04 -0.75 0.48 -0.81 0.23 0.00 0.00 176.35 175.54 3hw4 n PRO 107 N 2.95 0.31 -0.12 1.29 -0.04 -1.26 -5.06 135.00 133.06 3hw4 n PRO 107 Ca 0.09 -1.33 -0.16 0.00 -0.04 0.00 0.00 63.50 62.06 3hw4 n PRO 107 Cb 0.40 -0.31 -0.12 0.00 -0.04 0.00 0.00 33.50 33.43 3hw4 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw4 n ASP 108 N -2.93 1.77 -4.14 3.54 8.00 0.26 -4.15 116.55 118.90 3hw4 n ASP 108 Ca 0.08 -0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 3hw4 n ASP 108 Cb 0.29 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 3hw4 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw4 s LEU 109 N -6.32 2.49 -0.13 0.64 1.43 -0.56 0.24 118.68 116.46 3hw4 s LEU 109 Ca -0.30 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 51.84 3hw4 s LEU 109 Cb 0.08 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.30 3hw4 s LEU 109 CO 0.61 -0.49 -0.18 -0.47 0.23 0.00 0.00 176.35 176.05 3hw4 s TYR 110 N -3.56 2.70 -0.49 0.29 5.04 0.33 0.22 117.35 121.88 3hw4 s TYR 110 Ca 0.09 -0.95 -0.20 0.00 -2.44 0.00 0.00 57.07 53.56 3hw4 s TYR 110 Cb 0.05 -1.80 0.04 0.00 0.35 0.00 0.00 41.96 40.60 3hw4 s TYR 110 CO -0.06 -0.39 0.68 0.34 -1.34 0.00 0.00 175.55 174.79 3hw4 s ASP 111 N 0.50 6.28 0.10 4.32 3.68 0.71 -0.17 116.67 132.08 3hw4 s ASP 111 Ca -0.12 -0.62 0.19 0.00 2.13 0.00 0.00 52.55 54.13 3hw4 s ASP 111 Cb -0.16 -2.32 0.80 0.00 -1.45 0.00 0.00 42.92 39.78 3hw4 s ASP 111 CO 0.05 -0.91 1.60 -1.22 0.13 0.00 0.00 175.17 174.82 3hw4 n TYR 112 N 6.42 0.32 -0.07 -5.34 4.01 0.94 -1.65 117.16 121.78 3hw4 n TYR 112 Ca -0.03 0.12 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 3hw4 n TYR 112 Cb 0.47 -0.70 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 3hw4 n TYR 112 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hw4 h LYS 113 N 0.00 0.00 -0.00 -0.72 3.64 -1.93 -3.38 116.57 114.19 3hw4 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hw4 h LYS 113 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hw4 h LYS 113 CO 0.00 0.40 -0.00 0.39 -2.27 0.00 0.00 179.45 177.97 3hw4 n GLU 114 N -4.61 0.75 -3.68 1.90 -0.58 -1.25 -4.97 120.64 108.21 3hw4 n GLU 114 Ca -0.12 -0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.31 3hw4 n GLU 114 Cb 0.34 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.75 3hw4 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw4 n ASN 115 N -1.12 -5.39 -3.49 1.62 3.02 -0.66 -5.02 115.26 104.23 3hw4 n ASN 115 Ca 0.20 -0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 53.60 3hw4 n ASN 115 Cb 0.17 -3.28 -0.05 0.00 -0.61 0.00 0.00 39.78 36.01 3hw4 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw4 s ARG 116 N -5.85 1.11 0.48 3.52 1.70 -1.10 -5.00 118.95 113.81 3hw4 s ARG 116 Ca 0.43 0.04 -0.20 0.00 -0.47 0.00 0.00 55.73 55.53 3hw4 s ARG 116 Cb -0.16 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 3hw4 s ARG 116 CO 0.86 -0.39 1.05 -0.06 -1.08 0.00 0.00 175.30 175.68 3hw4 s PHE 117 N -1.93 2.98 -0.05 5.89 0.40 -1.26 -0.21 117.98 123.79 3hw4 s PHE 117 Ca -0.07 1.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.89 3hw4 s PHE 117 Cb -0.00 -3.10 -0.01 0.00 0.51 0.00 0.00 43.02 40.42 3hw4 s PHE 117 CO 0.03 -0.91 -0.21 0.42 0.70 0.00 0.00 175.22 175.25 3hw4 s ILE 118 N -1.92 1.74 -0.35 0.64 1.01 0.13 -0.73 121.20 121.73 3hw4 s ILE 118 Ca 0.67 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3hw4 s ILE 118 Cb -0.18 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 3hw4 s ILE 118 CO 0.21 0.49 0.35 -0.70 0.00 0.00 0.00 174.94 175.30 3hw4 s GLU 119 N -0.01 3.52 -0.16 2.79 2.56 0.20 -0.57 118.70 127.03 3hw4 s GLU 119 Ca -0.05 -0.47 -0.18 0.00 0.00 0.00 0.00 54.97 54.27 3hw4 s GLU 119 Cb -0.13 -3.82 -0.04 0.00 2.00 0.00 0.00 34.13 32.15 3hw4 s GLU 119 CO 0.03 -0.53 0.47 0.42 -0.56 0.00 0.00 175.26 175.09 3hw4 s ILE 120 N 1.98 5.17 0.12 -3.70 -1.09 -1.26 -1.02 121.20 121.39 3hw4 s ILE 120 Ca 0.11 0.90 0.09 0.00 -2.23 0.00 0.00 60.65 59.52 3hw4 s ILE 120 Cb -0.17 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3hw4 s ILE 120 CO 0.12 0.27 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.05 3hw4 s GLY 121 N 0.85 1.33 -0.07 6.18 0.00 -0.63 -4.99 107.32 109.98 3hw4 s GLY 121 Ca 0.24 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3hw4 s GLY 121 CO 0.09 -1.33 -0.08 0.14 0.00 0.00 0.00 173.10 171.93 3hw4 s VAL 122 N -1.26 0.84 0.08 1.40 1.01 -1.26 -1.46 120.40 119.76 3hw4 s VAL 122 Ca 0.09 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3hw4 s VAL 122 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3hw4 s VAL 122 CO 0.05 0.30 -0.22 0.28 0.00 0.00 0.00 175.10 175.51 3hw4 s THR 123 N 1.04 1.80 -2.23 3.92 -1.32 0.10 -4.97 115.64 113.98 3hw4 s THR 123 Ca -0.08 -1.44 0.26 0.00 -1.21 0.00 0.00 61.69 59.22 3hw4 s THR 123 Cb -0.14 -1.60 0.27 0.00 -1.51 0.00 0.00 72.50 69.52 3hw4 s THR 123 CO -0.00 0.09 1.45 -2.11 -2.21 0.00 0.00 174.62 171.84 3hw4 n ARG 124 N 1.39 1.39 0.00 7.08 1.85 -1.26 -2.68 116.66 124.43 3hw4 n ARG 124 Ca -0.18 -0.98 0.00 0.00 -1.00 0.00 0.00 57.85 55.69 3hw4 n ARG 124 Cb 0.53 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3hw4 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw4 n ARG 125 N 0.05 0.69 -3.37 2.89 1.74 -1.26 -4.86 116.66 112.54 3hw4 n ARG 125 Ca 0.14 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 3hw4 n ARG 125 Cb 0.42 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.80 3hw4 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw4 s GLU 126 N 4.23 4.20 0.23 5.56 2.02 -1.26 -4.84 118.70 128.83 3hw4 s GLU 126 Ca 0.00 0.45 -0.07 0.00 0.02 0.00 0.00 54.97 55.37 3hw4 s GLU 126 Cb 0.00 -3.35 0.20 0.00 0.10 0.00 0.00 34.13 31.08 3hw4 s GLU 126 CO 0.00 0.37 1.85 -0.39 0.02 0.00 0.00 175.26 177.11 3hw4 h VAL 127 N 4.30 1.26 0.20 2.63 -1.51 -1.94 -2.74 116.25 118.44 3hw4 h VAL 127 Ca -0.45 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3hw4 h VAL 127 Cb 1.19 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 3hw4 h VAL 127 CO 0.70 0.29 -0.18 -0.74 -1.23 0.00 0.00 177.57 176.41 3hw4 h HIS 128 N 1.23 -0.46 -0.45 5.19 -0.00 -1.94 0.32 115.15 119.03 3hw4 h HIS 128 Ca 0.31 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.71 3hw4 h HIS 128 Cb 0.04 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 3hw4 h HIS 128 CO 0.01 -0.27 0.26 1.15 -0.00 0.00 0.00 177.93 179.08 3hw4 h THR 129 N -0.40 1.02 -0.47 6.26 2.02 -1.99 -1.68 112.91 117.68 3hw4 h THR 129 Ca -0.00 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 3hw4 h THR 129 Cb 0.36 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3hw4 h THR 129 CO -0.03 0.09 -0.21 0.22 0.37 0.00 0.00 175.52 175.96 3hw4 h TYR 130 N 0.51 1.10 -0.49 3.16 3.20 -1.29 0.76 116.97 123.92 3hw4 h TYR 130 Ca 0.19 -0.26 0.10 0.00 3.14 0.00 0.00 58.73 61.89 3hw4 h TYR 130 Cb 0.04 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 37.97 3hw4 h TYR 130 CO -0.08 1.07 -0.10 -0.92 -1.64 0.00 0.00 178.16 176.49 3hw4 h TYR 131 N 0.83 -0.22 -0.61 -3.82 3.20 -0.21 -1.33 116.97 114.82 3hw4 h TYR 131 Ca 0.11 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3hw4 h TYR 131 Cb 0.78 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 3hw4 h TYR 131 CO 0.05 -0.19 0.17 -0.07 -1.64 0.00 0.00 178.16 176.47 3hw4 h LEU 132 N 0.02 0.90 -1.03 2.82 3.38 -0.68 -0.95 115.31 119.76 3hw4 h LEU 132 Ca 0.24 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hw4 h LEU 132 Cb 0.37 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3hw4 h LEU 132 CO -0.49 0.89 0.64 -0.33 0.09 0.00 0.00 178.44 179.23 3hw4 h GLU 133 N 0.87 1.08 -0.07 1.13 5.08 -0.41 -0.18 114.58 122.08 3hw4 h GLU 133 Ca 0.19 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 3hw4 h GLU 133 Cb 0.32 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hw4 h GLU 133 CO -0.00 0.71 -0.92 0.87 -1.00 0.00 0.00 179.01 178.67 3hw4 h LYS 134 N 1.11 0.75 -0.67 2.33 1.79 -0.91 -1.76 116.57 119.22 3hw4 h LYS 134 Ca 0.44 -0.71 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 3hw4 h LYS 134 Cb 0.25 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3hw4 h LYS 134 CO -0.19 1.30 0.34 0.00 -1.08 0.00 0.00 179.45 179.82 3hw4 h ALA 135 N 0.48 1.35 0.01 3.86 0.00 -0.71 -1.77 119.26 122.47 3hw4 h ALA 135 Ca -0.09 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 3hw4 h ALA 135 Cb 1.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3hw4 h ALA 135 CO 0.18 0.52 -0.90 -0.91 0.00 0.00 0.00 179.25 178.15 3hw4 h ASN 136 N 0.93 0.05 -0.06 0.00 -0.26 -0.99 -1.57 115.58 113.68 3hw4 h ASN 136 Ca 0.23 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 3hw4 h ASN 136 Cb 0.06 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3hw4 h ASN 136 CO -0.03 0.92 -0.01 0.50 -1.06 0.00 0.00 177.43 177.75 3hw4 h LYS 137 N 0.02 0.11 0.00 0.81 3.64 -0.86 -3.35 116.57 116.94 3hw4 h LYS 137 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hw4 h LYS 137 Cb 1.57 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 3hw4 h LYS 137 CO 0.12 0.41 -0.94 0.82 -2.27 0.00 0.00 179.45 177.59 3hw4 h ILE 138 N -0.20 0.00 -0.62 2.00 5.03 -1.39 -3.47 117.51 118.86 3hw4 h ILE 138 Ca 0.02 -0.99 -0.20 0.00 -0.12 0.00 0.00 64.86 63.57 3hw4 h ILE 138 Cb 0.37 1.51 -0.08 0.00 -3.03 0.00 0.00 36.82 35.59 3hw4 h ILE 138 CO 0.00 0.00 -0.18 0.29 -0.68 0.00 0.00 178.15 177.58 3hw4 n LYS 139 N -2.68 -1.67 0.00 2.37 4.01 -0.59 -4.71 118.16 114.88 3hw4 n LYS 139 Ca 0.00 0.78 0.00 0.00 -0.51 0.00 0.00 58.31 58.58 3hw4 n LYS 139 Cb 0.55 -5.06 0.00 0.00 -0.51 0.00 0.00 35.03 30.00 3hw4 n LYS 139 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hw4 n SER 140 N -0.78 0.00 -0.74 4.39 3.41 -1.25 -4.70 113.62 113.95 3hw4 n SER 140 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3hw4 n SER 140 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3hw4 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw4 n GLU 141 N -1.10 -0.86 0.00 4.33 0.28 -1.26 -2.37 120.64 119.66 3hw4 n GLU 141 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3hw4 n GLU 141 Cb 0.00 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 30.83 3hw4 n GLU 141 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3hw4 n LYS 142 N -0.67 0.00 -2.27 3.44 4.81 -1.26 -5.12 118.16 117.08 3hw4 n LYS 142 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3hw4 n LYS 142 Cb 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.08 3hw4 n LYS 142 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hw4 s THR 143 N -0.45 3.70 0.46 3.15 2.01 -1.00 -4.63 115.64 118.89 3hw4 s THR 143 Ca 0.00 1.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.96 3hw4 s THR 143 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 3hw4 s THR 143 CO 0.00 0.05 1.00 -2.28 -0.69 0.00 0.00 174.62 172.70 3hw4 s HIS 144 N 1.64 3.14 -0.12 4.92 2.46 0.10 -4.82 115.29 122.59 3hw4 s HIS 144 Ca 0.62 1.59 0.02 0.00 0.47 0.00 0.00 55.06 57.76 3hw4 s HIS 144 Cb -0.32 -2.97 0.02 0.00 -0.13 0.00 0.00 32.58 29.18 3hw4 s HIS 144 CO 0.28 -0.52 -0.16 0.42 -2.47 0.00 0.00 174.74 172.29 3hw4 s ILE 145 N -2.09 1.64 -0.17 0.89 1.01 -1.26 0.59 121.20 121.81 3hw4 s ILE 145 Ca 0.65 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3hw4 s ILE 145 Cb -0.13 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.87 3hw4 s ILE 145 CO 0.17 0.47 -0.15 -2.28 0.00 0.00 0.00 174.94 173.15 3hw4 s HIS 146 N 1.06 2.46 -0.16 3.97 2.46 -0.19 -1.04 115.29 123.85 3hw4 s HIS 146 Ca -0.04 -1.48 -0.04 0.00 0.47 0.00 0.00 55.06 53.97 3hw4 s HIS 146 Cb -0.15 -1.72 -0.03 0.00 -0.13 0.00 0.00 32.58 30.56 3hw4 s HIS 146 CO -0.04 -0.74 -0.03 0.42 -2.47 0.00 0.00 174.74 171.89 3hw4 s ILE 147 N 1.39 3.97 0.04 0.89 -1.09 0.68 -1.60 121.20 125.48 3hw4 s ILE 147 Ca 0.03 -0.33 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 3hw4 s ILE 147 Cb -0.14 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 3hw4 s ILE 147 CO -0.11 0.49 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.61 3hw4 s PHE 148 N 0.32 2.70 0.37 3.97 0.40 -0.53 -1.30 117.98 123.91 3hw4 s PHE 148 Ca -0.03 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 3hw4 s PHE 148 Cb -0.14 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 3hw4 s PHE 148 CO 0.03 0.32 0.20 -1.54 0.70 0.00 0.00 175.22 174.93 3hw4 s SER 149 N -1.56 4.69 0.31 1.36 1.04 -0.67 -0.72 113.70 118.15 3hw4 s SER 149 Ca 0.17 -0.85 0.25 0.00 0.48 0.00 0.00 55.95 56.00 3hw4 s SER 149 Cb -0.11 -0.64 0.71 0.00 0.10 0.00 0.00 66.02 66.08 3hw4 s SER 149 CO 0.07 -0.43 1.73 -0.26 0.98 0.00 0.00 173.24 175.34 3hw4 h PHE 150 N 1.42 0.00 -0.09 5.02 -1.00 -1.83 -3.07 116.94 117.38 3hw4 h PHE 150 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3hw4 h PHE 150 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 3hw4 h PHE 150 CO 0.60 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 177.55 3hw4 n THR 151 N -2.59 0.11 -0.14 -1.55 -2.24 -1.26 -3.61 114.28 102.99 3hw4 n THR 151 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3hw4 n THR 151 Cb 0.44 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3hw4 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw4 n GLY 152 N 1.09 0.75 3.93 3.38 0.00 -1.16 -5.07 105.19 108.11 3hw4 n GLY 152 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3hw4 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw4 s GLU 153 N -0.86 3.13 0.14 1.61 2.02 -1.26 -4.93 118.70 118.55 3hw4 s GLU 153 Ca 0.00 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.70 3hw4 s GLU 153 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.81 3hw4 s GLU 153 CO 0.00 -0.38 0.32 -1.83 0.02 0.00 0.00 175.26 173.38 3hw4 s GLU 154 N -4.73 1.08 -0.18 1.61 -1.05 -1.26 -1.67 118.70 112.50 3hw4 s GLU 154 Ca 0.50 -0.97 -0.11 0.00 -0.15 0.00 0.00 54.97 54.23 3hw4 s GLU 154 Cb -0.10 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 3hw4 s GLU 154 CO 0.42 -0.40 0.44 1.41 0.95 0.00 0.00 175.26 178.08 3hw4 s MET 155 N -3.89 0.45 0.08 -4.83 1.75 -0.42 -4.99 119.30 107.45 3hw4 s MET 155 Ca 0.09 0.79 0.01 0.00 -1.25 0.00 0.00 55.69 55.33 3hw4 s MET 155 Cb 0.03 0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.71 3hw4 s MET 155 CO -0.06 -0.14 -0.06 0.00 -0.65 0.00 0.00 175.02 174.12 3hw4 s ALA 156 N 1.15 0.83 0.17 4.11 0.00 -1.26 -0.23 121.76 126.54 3hw4 s ALA 156 Ca -0.07 -1.29 -0.33 0.00 0.00 0.00 0.00 51.96 50.26 3hw4 s ALA 156 Cb -0.07 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 23.11 3hw4 s ALA 156 CO -0.10 -0.27 1.63 2.41 0.00 0.00 0.00 175.76 179.43 3hw4 n THR 157 N 0.04 0.01 -2.07 0.00 -1.04 -0.20 -1.61 114.28 109.40 3hw4 n THR 157 Ca -0.13 -0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 3hw4 n THR 157 Cb 0.61 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 3hw4 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw4 n LYS 158 N 3.65 -1.60 -2.88 -2.82 5.02 -1.26 -1.12 118.16 117.16 3hw4 n LYS 158 Ca 0.17 1.09 -0.16 0.00 -2.02 0.00 0.00 58.31 57.39 3hw4 n LYS 158 Cb 0.31 -5.64 -0.01 0.00 -0.02 0.00 0.00 35.03 29.67 3hw4 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw4 n ALA 159 N -0.65 -0.94 -2.82 7.82 0.00 -0.64 -4.91 120.51 118.38 3hw4 n ALA 159 Ca -0.23 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 3hw4 n ALA 159 Cb 0.68 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 3hw4 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw4 s ASP 160 N -2.34 5.69 0.00 0.00 -1.08 -0.27 -4.98 116.67 113.69 3hw4 s ASP 160 Ca 0.18 -0.82 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 3hw4 s ASP 160 Cb -0.10 -2.02 0.62 0.00 -1.46 0.00 0.00 42.92 39.96 3hw4 s ASP 160 CO 0.23 -0.32 1.50 -1.22 0.52 0.00 0.00 175.17 175.88 3hw4 n TYR 161 N 5.00 0.04 0.00 -5.34 4.02 -1.26 -4.32 117.16 115.30 3hw4 n TYR 161 Ca -0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3hw4 n TYR 161 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3hw4 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw4 n THR 162 N 0.77 0.00 -3.27 -0.72 -1.04 -1.26 -4.80 114.28 103.96 3hw4 n THR 162 Ca 0.17 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.91 3hw4 n THR 162 Cb 0.47 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 3hw4 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw4 s LEU 163 N 0.00 4.00 0.84 -4.42 1.43 -1.26 -5.08 118.68 114.19 3hw4 s LEU 163 Ca 0.00 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 3hw4 s LEU 163 Cb 0.00 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.81 3hw4 s LEU 163 CO 0.00 -0.27 1.10 1.51 0.23 0.00 0.00 176.35 178.92 3hw4 s ASP 164 N -3.51 3.85 0.20 2.29 3.84 -1.26 -4.80 116.67 117.28 3hw4 s ASP 164 Ca 0.43 1.75 -0.12 0.00 -0.00 0.00 0.00 52.55 54.60 3hw4 s ASP 164 Cb -0.10 -2.40 0.23 0.00 -1.38 0.00 0.00 42.92 39.26 3hw4 s ASP 164 CO 0.33 -2.44 1.68 -0.33 -0.00 0.00 0.00 175.17 174.42 3hw4 h GLU 165 N -1.41 0.13 -0.57 2.11 4.39 -1.98 -2.45 114.58 114.81 3hw4 h GLU 165 Ca -0.46 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.16 3hw4 h GLU 165 Cb 1.26 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 3hw4 h GLU 165 CO 0.51 0.09 0.06 1.49 -1.16 0.00 0.00 179.01 180.00 3hw4 h GLU 166 N 0.13 0.94 -0.55 2.33 4.81 -1.99 0.03 114.58 120.28 3hw4 h GLU 166 Ca 0.28 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3hw4 h GLU 166 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3hw4 h GLU 166 CO -0.44 0.89 -0.04 0.77 -0.73 0.00 0.00 179.01 179.45 3hw4 h SER 167 N 0.88 0.97 -0.20 1.04 0.02 -1.84 -1.84 113.55 112.57 3hw4 h SER 167 Ca 0.17 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 3hw4 h SER 167 Cb 0.43 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3hw4 h SER 167 CO 0.01 1.04 -0.16 0.03 -1.14 0.00 0.00 176.83 176.62 3hw4 h ARG 168 N 0.89 0.62 -0.13 3.45 3.08 -1.05 -2.91 114.38 118.33 3hw4 h ARG 168 Ca 0.15 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3hw4 h ARG 168 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hw4 h ARG 168 CO 0.04 0.75 -0.42 0.00 -1.07 0.00 0.00 179.97 179.26 3hw4 h ALA 169 N 1.28 1.05 -0.73 0.04 0.00 -0.78 -0.59 119.26 119.54 3hw4 h ALA 169 Ca 0.09 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hw4 h ALA 169 Cb 0.59 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hw4 h ALA 169 CO 0.04 0.61 0.47 0.00 0.00 0.00 0.00 179.25 180.37 3hw4 h ARG 170 N 0.24 0.92 -0.26 0.00 3.08 -1.15 0.19 114.38 117.40 3hw4 h ARG 170 Ca 0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hw4 h ARG 170 Cb 0.85 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3hw4 h ARG 170 CO 0.07 0.61 -0.00 0.82 -1.07 0.00 0.00 179.97 180.40 3hw4 h ILE 171 N 0.95 1.26 -0.82 2.04 2.04 -1.35 -1.64 117.51 119.99 3hw4 h ILE 171 Ca 0.28 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3hw4 h ILE 171 Cb -0.06 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3hw4 h ILE 171 CO -0.08 0.29 0.53 0.11 0.00 0.00 0.00 178.15 179.00 3hw4 h LYS 172 N 0.25 1.08 -0.46 2.37 1.57 -0.96 -1.06 116.57 119.36 3hw4 h LYS 172 Ca 0.07 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3hw4 h LYS 172 Cb 0.42 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3hw4 h LYS 172 CO 0.01 0.73 0.18 1.15 -0.57 0.00 0.00 179.45 180.96 3hw4 h THR 173 N 1.11 1.20 -0.43 -0.16 2.02 -0.45 -0.69 112.91 115.52 3hw4 h THR 173 Ca 0.30 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.86 3hw4 h THR 173 Cb -0.11 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3hw4 h THR 173 CO -0.06 0.24 0.26 -0.09 0.37 0.00 0.00 175.52 176.23 3hw4 h ARG 174 N 0.60 0.50 -0.42 6.66 9.65 -0.77 -1.91 114.38 128.69 3hw4 h ARG 174 Ca 0.15 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3hw4 h ARG 174 Cb 0.19 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 3hw4 h ARG 174 CO -0.01 0.33 0.10 -0.07 2.80 0.00 0.00 179.97 183.12 3hw4 h LEU 175 N 0.52 0.63 -0.90 3.80 3.38 -1.02 -1.28 115.31 120.44 3hw4 h LEU 175 Ca 0.17 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3hw4 h LEU 175 Cb -0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.47 3hw4 h LEU 175 CO -0.07 0.70 -0.52 0.49 0.09 0.00 0.00 178.44 179.12 3hw4 n PHE 176 N -4.55 -0.38 -0.08 1.13 3.01 -0.28 -1.62 117.46 114.69 3hw4 n PHE 176 Ca -0.00 1.12 -0.11 0.00 1.01 0.00 0.00 57.45 59.48 3hw4 n PHE 176 Cb 0.21 -0.58 -0.04 0.00 -0.01 0.00 0.00 39.48 39.06 3hw4 n PHE 176 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3hw4 h THR 177 N 0.00 1.20 -0.49 4.37 2.02 -0.97 -1.67 112.91 117.37 3hw4 h THR 177 Ca 0.15 -0.63 0.08 0.00 0.77 0.00 0.00 66.41 66.78 3hw4 h THR 177 Cb 0.38 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 3hw4 h THR 177 CO -0.85 0.21 0.11 0.40 0.37 0.00 0.00 175.52 175.75 3hw4 h ILE 178 N 0.24 0.74 -0.60 3.11 2.04 -0.98 -1.37 117.51 120.68 3hw4 h ILE 178 Ca 0.08 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3hw4 h ILE 178 Cb 0.25 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3hw4 h ILE 178 CO -0.00 0.04 0.36 -0.09 0.00 0.00 0.00 178.15 178.46 3hw4 h ARG 179 N 0.24 0.82 -0.43 2.37 2.43 -0.94 -1.04 114.38 117.83 3hw4 h ARG 179 Ca 0.24 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3hw4 h ARG 179 Cb 0.32 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3hw4 h ARG 179 CO -0.31 0.59 0.10 -0.56 -1.51 0.00 0.00 179.97 178.28 3hw4 h GLN 180 N 0.81 0.69 -0.38 0.20 -0.00 -0.95 0.95 115.11 116.42 3hw4 h GLN 180 Ca 0.21 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 3hw4 h GLN 180 Cb -0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.36 3hw4 h GLN 180 CO -0.04 0.69 -0.02 1.49 -0.00 0.00 0.00 178.83 180.95 3hw4 h GLU 181 N 0.56 0.69 -0.07 0.06 4.57 -1.19 0.52 114.58 119.72 3hw4 h GLU 181 Ca 0.13 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3hw4 h GLU 181 Cb 0.32 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3hw4 h GLU 181 CO 0.00 0.80 0.04 0.52 -1.18 0.00 0.00 179.01 179.19 3hw4 h MET 182 N 0.50 0.09 -0.75 1.92 2.86 -1.04 -3.09 114.93 115.42 3hw4 h MET 182 Ca 0.11 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 3hw4 h MET 182 Cb 0.50 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 3hw4 h MET 182 CO 0.02 0.08 0.40 0.00 1.06 0.00 0.00 176.91 178.48 3hw4 h ALA 183 N 1.00 1.04 -1.06 6.32 0.00 -0.63 0.77 119.26 126.70 3hw4 h ALA 183 Ca 0.02 0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.26 3hw4 h ALA 183 Cb 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 3hw4 h ALA 183 CO -0.00 0.03 0.67 0.77 0.00 0.00 0.00 179.25 180.71 3hw4 h SER 184 N 0.70 0.48 -0.18 0.00 0.02 -0.82 -2.30 113.55 111.45 3hw4 h SER 184 Ca 0.36 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3hw4 h SER 184 Cb 0.33 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hw4 h SER 184 CO -0.24 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.02 3hw4 n ARG 185 N -4.74 2.31 -0.46 3.45 1.74 -0.57 -4.93 116.66 113.47 3hw4 n ARG 185 Ca 0.28 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 3hw4 n ARG 185 Cb 0.93 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3hw4 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw4 n GLY 186 N 1.36 0.76 0.03 -0.13 0.00 -0.87 -2.33 105.19 104.02 3hw4 n GLY 186 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3hw4 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw4 n LEU 187 N 0.00 0.62 -0.03 0.99 4.32 0.16 -4.42 117.00 118.63 3hw4 n LEU 187 Ca 0.00 -0.06 -0.16 0.00 -0.02 0.00 0.00 56.01 55.77 3hw4 n LEU 187 Cb 0.00 -0.09 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 3hw4 n LEU 187 CO 0.00 0.06 0.33 -0.25 -1.22 0.00 0.00 177.39 176.32 3hw4 h TRP 188 N 0.00 1.03 -0.30 -1.77 2.91 -1.83 -2.73 115.95 113.26 3hw4 h TRP 188 Ca 0.00 -0.43 0.06 0.00 1.13 0.00 0.00 58.89 59.65 3hw4 h TRP 188 Cb 0.70 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 3hw4 h TRP 188 CO 0.00 1.25 -0.02 0.22 -1.03 0.00 0.00 178.44 178.86 3hw4 h ASP 189 N 0.56 -0.17 -0.05 2.65 1.82 -1.91 0.31 116.42 119.62 3hw4 h ASP 189 Ca -0.03 0.08 -0.21 0.00 -0.39 0.00 0.00 57.03 56.48 3hw4 h ASP 189 Cb 1.31 0.14 0.01 0.00 0.68 0.00 0.00 39.33 41.47 3hw4 h ASP 189 CO 0.14 -0.05 -0.74 -1.28 -1.61 0.00 0.00 179.24 175.70 3hw4 h SER 190 N 0.06 0.82 -0.59 2.28 0.87 -1.83 -1.45 113.55 113.71 3hw4 h SER 190 Ca 0.15 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3hw4 h SER 190 Cb 0.21 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3hw4 h SER 190 CO -0.27 1.31 0.31 0.15 -0.53 0.00 0.00 176.83 177.80 3hw4 h PHE 191 N 0.48 0.56 -0.44 2.24 3.57 -1.11 0.16 116.94 122.40 3hw4 h PHE 191 Ca -0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 3hw4 h PHE 191 Cb 1.35 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 3hw4 h PHE 191 CO 0.07 0.26 0.08 -0.09 -2.23 0.00 0.00 178.31 176.41 3hw4 h ARG 192 N 0.58 0.73 -0.08 1.11 2.43 -0.36 -3.24 114.38 115.54 3hw4 h ARG 192 Ca 0.26 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3hw4 h ARG 192 Cb 0.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hw4 h ARG 192 CO -0.18 0.74 -0.54 1.96 -1.51 0.00 0.00 179.97 180.44 3hw4 h GLN 193 N 0.59 0.24 0.00 0.20 7.50 -0.68 -2.97 115.11 119.99 3hw4 h GLN 193 Ca 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3hw4 h GLN 193 Cb 0.36 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.91 3hw4 h GLN 193 CO 0.01 0.72 0.00 -1.13 -1.50 0.00 0.00 178.83 176.93 3hw4 n SER 194 N -3.92 0.47 -4.67 1.46 3.41 0.51 -4.79 113.62 106.10 3hw4 n SER 194 Ca -0.02 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3hw4 n SER 194 Cb 0.57 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3hw4 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw4 s GLU 195 N -3.29 4.20 -0.13 4.33 2.12 -1.12 -4.90 118.70 119.90 3hw4 s GLU 195 Ca 0.03 2.13 -0.11 0.00 0.36 0.00 0.00 54.97 57.37 3hw4 s GLU 195 Cb 0.08 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 3hw4 s GLU 195 CO 0.29 -0.79 -0.24 0.54 -0.54 0.00 0.00 175.26 174.52 3hw4 n ARG 196 N 6.75 0.38 0.00 4.30 1.74 -1.26 -5.10 116.66 123.46 3hw4 n ARG 196 Ca 0.16 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3hw4 n ARG 196 Cb 0.43 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 3hw4 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52