#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6w s HIS 3 N 0.00 3.84 0.52 -0.32 3.76 -1.26 -5.05 115.29 116.78 1i6w s HIS 3 Ca 0.00 1.77 -0.15 0.00 -0.15 0.00 0.00 55.06 56.53 1i6w s HIS 3 Cb 0.00 -2.99 -0.07 0.00 1.11 0.00 0.00 32.58 30.63 1i6w s HIS 3 CO 0.00 0.28 0.97 -0.80 -0.85 0.00 0.00 174.74 174.34 1i6w s ASN 4 N -0.29 6.55 0.63 1.40 0.02 -1.26 -4.99 114.94 117.00 1i6w s ASN 4 Ca 0.44 1.50 -0.18 0.00 -1.02 0.00 0.00 52.86 53.60 1i6w s ASN 4 Cb -0.23 -2.48 -0.02 0.00 0.02 0.00 0.00 41.25 38.53 1i6w s ASN 4 CO 0.29 -0.62 1.29 -2.16 0.02 0.00 0.00 177.10 175.92 1i6w s PRO 5 N -4.24 2.64 -0.21 -0.60 0.04 -1.26 -4.67 135.00 126.71 1i6w s PRO 5 Ca 0.57 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.61 1i6w s PRO 5 Cb -0.10 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1i6w s PRO 5 CO 0.35 -1.52 -0.01 0.08 0.04 0.00 0.00 177.00 175.93 1i6w s VAL 6 N -1.41 3.73 -0.27 -0.36 1.01 -0.59 -1.51 120.40 121.01 1i6w s VAL 6 Ca 0.81 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 1i6w s VAL 6 Cb -0.37 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1i6w s VAL 6 CO 0.39 0.42 0.14 -0.69 0.00 0.00 0.00 175.10 175.36 1i6w s VAL 7 N 1.23 4.93 -0.24 2.92 1.01 0.01 -0.71 120.40 129.55 1i6w s VAL 7 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1i6w s VAL 7 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1i6w s VAL 7 CO 0.00 0.29 0.11 -0.04 0.00 0.00 0.00 175.10 175.46 1i6w s MET 8 N 1.69 3.89 -0.29 2.72 -1.94 0.13 -1.52 119.30 123.99 1i6w s MET 8 Ca 0.07 -0.36 -0.04 0.00 -1.71 0.00 0.00 55.69 53.64 1i6w s MET 8 Cb -0.16 -3.41 0.03 0.00 2.01 0.00 0.00 34.83 33.30 1i6w s MET 8 CO 0.08 -0.01 0.02 0.08 -0.01 0.00 0.00 175.02 175.18 1i6w s VAL 9 N 1.19 3.36 0.83 -6.03 1.01 -0.01 -2.19 120.40 118.55 1i6w s VAL 9 Ca 0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1i6w s VAL 9 Cb -0.14 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.54 1i6w s VAL 9 CO 0.05 0.05 1.15 -1.38 0.00 0.00 0.00 175.10 174.97 1i6w s HIS 10 N 1.38 2.85 0.00 5.22 -3.43 -1.26 -1.74 115.29 118.31 1i6w s HIS 10 Ca -0.00 0.85 0.01 0.00 -0.80 0.00 0.00 55.06 55.11 1i6w s HIS 10 Cb -0.18 -3.38 0.01 0.00 -1.43 0.00 0.00 32.58 27.60 1i6w s HIS 10 CO -0.01 -1.88 0.68 0.41 -2.00 0.00 0.00 174.74 171.94 1i6w n GLY 11 N -2.85 0.84 0.69 -1.38 0.00 -1.12 -3.29 105.19 98.09 1i6w n GLY 11 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1i6w n GLY 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1i6w n ILE 12 N 0.01 0.00 -0.26 -0.61 -5.35 -1.26 -2.63 119.36 109.27 1i6w n ILE 12 Ca -0.08 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 1i6w n ILE 12 Cb 0.58 0.17 0.03 0.00 -1.74 0.00 0.00 39.64 38.68 1i6w n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i6w n GLY 13 N 1.78 -0.85 0.37 3.28 0.00 -1.26 -4.71 105.19 103.80 1i6w n GLY 13 Ca -0.01 -0.28 0.32 0.00 0.00 0.00 0.00 46.02 46.05 1i6w n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6w n GLY 14 N 0.42 -0.69 3.60 -0.02 0.00 -1.26 -4.58 105.19 102.66 1i6w n GLY 14 Ca 0.01 0.65 -0.46 0.00 0.00 0.00 0.00 46.02 46.22 1i6w n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6w n ALA 15 N -2.50 -0.13 -2.47 4.61 0.00 -1.26 -4.90 120.51 113.86 1i6w n ALA 15 Ca 0.33 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 54.19 1i6w n ALA 15 Cb 1.26 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1i6w n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i6w n SER 16 N 1.65 0.21 -0.04 0.00 2.88 -1.26 -4.72 113.62 112.34 1i6w n SER 16 Ca 0.12 -2.04 0.05 0.00 -1.33 0.00 0.00 58.87 55.66 1i6w n SER 16 Cb 0.29 -0.03 0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1i6w n SER 16 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1i6w n PHE 17 N -0.20 0.00 -0.41 0.66 3.72 -1.26 -4.80 117.46 115.17 1i6w n PHE 17 Ca -0.06 -0.73 0.38 0.00 -0.05 0.00 0.00 57.45 56.99 1i6w n PHE 17 Cb 0.91 -0.10 0.75 0.00 -0.94 0.00 0.00 39.48 40.10 1i6w n PHE 17 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1i6w h ASN 18 N 0.00 0.04 -0.53 4.37 2.35 -1.99 -2.14 115.58 117.67 1i6w h ASN 18 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1i6w h ASN 18 Cb 0.74 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1i6w h ASN 18 CO 0.00 -0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1i6w n PHE 19 N -4.18 0.70 -0.14 1.19 3.72 -1.26 -4.43 117.46 113.06 1i6w n PHE 19 Ca 0.30 -0.35 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1i6w n PHE 19 Cb 1.39 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 40.24 1i6w n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i6w h ALA 20 N 4.42 1.55 -0.15 4.37 0.00 -1.76 0.16 119.26 127.85 1i6w h ALA 20 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1i6w h ALA 20 Cb 0.96 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1i6w h ALA 20 CO 0.00 0.42 -0.10 0.78 0.00 0.00 0.00 179.25 180.35 1i6w h GLY 21 N 0.85 0.36 1.19 0.00 0.00 -1.82 -1.86 103.07 101.79 1i6w h GLY 21 Ca 0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1i6w h GLY 21 CO -0.05 0.31 -0.04 -2.22 0.00 0.00 0.00 176.54 174.54 1i6w h ILE 22 N -0.01 1.26 -0.14 2.60 2.04 -1.67 -0.86 117.51 120.74 1i6w h ILE 22 Ca 0.03 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1i6w h ILE 22 Cb 0.59 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1i6w h ILE 22 CO 0.03 0.41 0.07 0.11 0.00 0.00 0.00 178.15 178.77 1i6w h LYS 23 N 0.88 0.20 -0.69 2.37 1.57 -0.97 -0.20 116.57 119.73 1i6w h LYS 23 Ca 0.15 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1i6w h LYS 23 Cb 0.57 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1i6w h LYS 23 CO 0.03 0.26 0.41 1.03 -0.57 0.00 0.00 179.45 180.61 1i6w h SER 24 N 0.10 0.63 0.10 0.86 0.87 -1.15 -1.03 113.55 113.94 1i6w h SER 24 Ca 0.05 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1i6w h SER 24 Cb 0.12 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1i6w h SER 24 CO -0.01 0.42 -0.05 0.22 -0.53 0.00 0.00 176.83 176.88 1i6w h TYR 25 N 0.77 -0.13 -1.01 2.24 3.20 -0.89 -2.17 116.97 118.98 1i6w h TYR 25 Ca 0.30 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.22 1i6w h TYR 25 Cb 0.13 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1i6w h TYR 25 CO -0.06 0.07 0.65 -0.07 -1.64 0.00 0.00 178.16 177.11 1i6w h LEU 26 N -0.31 1.06 -0.51 2.82 3.38 -0.75 -1.49 115.31 119.51 1i6w h LEU 26 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1i6w h LEU 26 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1i6w h LEU 26 CO 0.02 0.69 0.34 0.58 0.09 0.00 0.00 178.44 180.16 1i6w h VAL 27 N 1.21 1.13 0.00 1.22 2.07 -1.08 -1.07 116.25 119.74 1i6w h VAL 27 Ca 0.42 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1i6w h VAL 27 Cb 0.11 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1i6w h VAL 27 CO -0.16 0.13 -0.03 0.77 0.02 0.00 0.00 177.57 178.30 1i6w h SER 28 N 0.69 0.00 -0.36 0.57 4.64 -0.62 -1.78 113.55 116.68 1i6w h SER 28 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1i6w h SER 28 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1i6w h SER 28 CO -0.04 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1i6w n GLN 29 N -3.30 2.37 0.00 4.77 1.13 -0.56 -4.96 117.38 116.82 1i6w n GLN 29 Ca -0.02 -2.07 0.00 0.00 -1.94 0.00 0.00 57.00 52.98 1i6w n GLN 29 Cb 0.16 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1i6w n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i6w n GLY 30 N 1.44 1.01 3.78 1.08 0.00 -0.67 -5.07 105.19 106.76 1i6w n GLY 30 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1i6w n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i6w s TRP 31 N -2.00 3.36 -0.09 1.61 0.51 -0.51 -4.98 118.94 116.83 1i6w s TRP 31 Ca 0.00 1.67 -0.30 0.00 -2.12 0.00 0.00 56.10 55.35 1i6w s TRP 31 Cb 0.00 -3.11 -0.02 0.00 -0.81 0.00 0.00 33.47 29.53 1i6w s TRP 31 CO 0.00 -0.50 1.07 -1.12 -0.51 0.00 0.00 176.95 175.89 1i6w s SER 32 N -1.51 7.18 0.36 2.95 0.01 -1.26 -4.16 113.70 117.27 1i6w s SER 32 Ca 0.55 1.62 0.09 0.00 1.31 0.00 0.00 55.95 59.53 1i6w s SER 32 Cb -0.22 -2.56 0.83 0.00 0.21 0.00 0.00 66.02 64.28 1i6w s SER 32 CO 0.28 -0.49 1.87 -0.09 0.41 0.00 0.00 173.24 175.22 1i6w h ARG 33 N 7.21 0.66 0.00 12.44 9.65 -1.94 -0.90 114.38 141.50 1i6w h ARG 33 Ca -0.32 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 1i6w h ARG 33 Cb 1.15 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1i6w h ARG 33 CO 0.86 0.43 0.00 -0.40 2.80 0.00 0.00 179.97 183.67 1i6w n ASP 34 N -4.56 0.00 -0.72 -3.80 5.75 -1.26 -2.82 116.55 109.14 1i6w n ASP 34 Ca 0.17 -1.01 0.06 0.00 -0.01 0.00 0.00 54.79 54.01 1i6w n ASP 34 Cb 0.48 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.78 1i6w n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i6w n LYS 35 N -0.90 2.20 -4.26 0.11 4.76 -0.34 -4.92 118.16 114.80 1i6w n LYS 35 Ca 0.16 -2.87 -0.33 0.00 -2.87 0.00 0.00 58.31 52.40 1i6w n LYS 35 Cb 0.07 -1.74 -0.16 0.00 -1.84 0.00 0.00 35.03 31.37 1i6w n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1i6w s LEU 36 N -2.95 2.23 -0.08 -0.35 1.43 -1.13 -1.54 118.68 116.29 1i6w s LEU 36 Ca 0.40 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1i6w s LEU 36 Cb 0.34 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 45.07 1i6w s LEU 36 CO 0.05 0.02 -0.13 -0.31 0.23 0.00 0.00 176.35 176.21 1i6w s TYR 37 N 1.16 1.67 -0.36 0.29 2.02 0.11 -4.99 117.35 117.25 1i6w s TYR 37 Ca 0.01 -0.69 -0.11 0.00 -0.37 0.00 0.00 57.07 55.91 1i6w s TYR 37 Cb -0.14 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 1i6w s TYR 37 CO -0.09 -0.36 0.21 0.00 -1.57 0.00 0.00 175.55 173.74 1i6w s ALA 38 N 0.82 3.32 0.38 3.71 0.00 -1.26 0.19 121.76 128.92 1i6w s ALA 38 Ca -0.11 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 49.97 1i6w s ALA 38 Cb -0.15 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.30 1i6w s ALA 38 CO 0.02 -1.24 1.29 0.54 0.00 0.00 0.00 175.76 176.37 1i6w s VAL 39 N 1.59 2.71 -0.15 0.00 0.11 -0.93 -4.96 120.40 118.77 1i6w s VAL 39 Ca 0.03 0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 59.65 1i6w s VAL 39 Cb -0.18 -3.39 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1i6w s VAL 39 CO 0.07 0.11 0.15 -1.81 -3.33 0.00 0.00 175.10 170.29 1i6w s ASP 40 N -0.72 6.32 0.10 3.54 1.01 -1.26 -4.74 116.67 120.92 1i6w s ASP 40 Ca 0.55 0.38 0.10 0.00 0.71 0.00 0.00 52.55 54.29 1i6w s ASP 40 Cb -0.38 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1i6w s ASP 40 CO 0.49 0.30 -0.26 -0.36 0.21 0.00 0.00 175.17 175.54 1i6w s PHE 41 N -0.36 2.26 -0.10 4.23 0.08 -1.26 -4.94 117.98 117.89 1i6w s PHE 41 Ca 0.12 -0.39 0.15 0.00 0.12 0.00 0.00 56.93 56.93 1i6w s PHE 41 Cb -0.12 -1.26 -0.19 0.00 -0.57 0.00 0.00 43.02 40.89 1i6w s PHE 41 CO 0.02 0.26 0.69 -2.67 -0.10 0.00 0.00 175.22 173.42 1i6w n TRP 42 N 1.19 0.89 -2.85 0.36 4.27 -1.26 -4.66 117.44 115.38 1i6w n TRP 42 Ca -0.18 0.31 -0.43 0.00 -3.89 0.00 0.00 57.50 53.31 1i6w n TRP 42 Cb 0.53 -1.10 -0.04 0.00 -1.36 0.00 0.00 31.31 29.34 1i6w n TRP 42 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1i6w s ASP 43 N -5.84 6.23 0.00 -0.67 -1.08 -1.26 -4.87 116.67 109.18 1i6w s ASP 43 Ca -0.04 -1.10 0.17 0.00 -0.52 0.00 0.00 52.55 51.06 1i6w s ASP 43 Cb 0.08 -2.43 0.85 0.00 -1.46 0.00 0.00 42.92 39.97 1i6w s ASP 43 CO 0.82 -1.42 1.51 0.29 0.52 0.00 0.00 175.17 176.89 1i6w n LYS 44 N 7.68 0.22 0.04 4.34 4.76 -1.26 -2.12 118.16 131.82 1i6w n LYS 44 Ca 0.00 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1i6w n LYS 44 Cb 0.46 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 1i6w n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1i6w n THR 45 N -1.31 0.27 -1.30 -0.18 -2.24 -1.26 -4.71 114.28 103.55 1i6w n THR 45 Ca 0.08 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1i6w n THR 45 Cb 0.14 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 1i6w n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i6w n GLY 46 N 1.35 0.52 3.73 3.38 0.00 -0.90 -5.02 105.19 108.25 1i6w n GLY 46 Ca 0.03 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1i6w n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i6w n THR 47 N -3.16 3.86 -0.17 2.61 -2.24 -1.26 -4.83 114.28 109.09 1i6w n THR 47 Ca -0.03 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 1i6w n THR 47 Cb 0.19 -1.59 0.02 0.00 -2.10 0.00 0.00 70.33 66.84 1i6w n THR 47 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1i6w h ASN 48 N 1.30 0.63 -0.95 3.42 2.35 -1.95 -1.41 115.58 118.97 1i6w h ASN 48 Ca -0.50 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1i6w h ASN 48 Cb 1.31 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.47 1i6w h ASN 48 CO 0.56 0.55 0.60 0.22 -1.65 0.00 0.00 177.43 177.72 1i6w h TYR 49 N 0.67 1.23 0.14 1.19 5.03 -2.01 0.49 116.97 123.70 1i6w h TYR 49 Ca 0.18 0.01 -0.29 0.00 2.58 0.00 0.00 58.73 61.21 1i6w h TYR 49 Cb 0.06 -0.41 0.01 0.00 1.55 0.00 0.00 36.73 37.94 1i6w h TYR 49 CO -0.02 0.79 -1.33 -0.91 -1.32 0.00 0.00 178.16 175.38 1i6w h ASN 50 N 1.30 0.45 0.68 -2.11 2.35 -1.92 -3.38 115.58 112.96 1i6w h ASN 50 Ca 0.35 -0.51 -0.26 0.00 -0.55 0.00 0.00 56.30 55.32 1i6w h ASN 50 Cb -0.10 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1i6w h ASN 50 CO -0.07 1.41 -1.38 0.78 -1.65 0.00 0.00 177.43 176.52 1i6w h ASN 51 N 0.08 0.11 -0.20 5.81 4.21 -1.15 -3.39 115.58 121.06 1i6w h ASN 51 Ca -0.17 -0.16 0.05 0.00 1.21 0.00 0.00 56.30 57.24 1i6w h ASN 51 Cb 2.00 -0.04 -0.07 0.00 -1.12 0.00 0.00 38.32 39.09 1i6w h ASN 51 CO 0.20 1.13 -0.34 1.23 -1.29 0.00 0.00 177.43 178.36 1i6w h GLY 52 N 2.77 -0.44 1.47 2.83 0.00 -1.07 -1.21 103.07 107.41 1i6w h GLY 52 Ca -0.16 0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.61 1i6w h GLY 52 CO 0.12 -0.22 0.32 -2.55 0.00 0.00 0.00 176.54 174.21 1i6w h PRO 53 N -0.38 0.56 -0.24 4.80 0.11 -1.78 -1.06 132.00 134.02 1i6w h PRO 53 Ca 0.11 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1i6w h PRO 53 Cb 0.56 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1i6w h PRO 53 CO -0.41 0.37 -0.20 0.28 -0.21 0.00 0.00 178.00 177.83 1i6w h VAL 54 N 0.58 1.31 -0.81 3.15 2.07 -1.60 -1.62 116.25 119.33 1i6w h VAL 54 Ca 0.18 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1i6w h VAL 54 Cb 0.03 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1i6w h VAL 54 CO -0.04 0.42 0.36 0.25 0.02 0.00 0.00 177.57 178.58 1i6w h LEU 55 N 0.27 1.08 0.25 2.57 5.85 -0.88 -1.50 115.31 122.94 1i6w h LEU 55 Ca 0.04 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1i6w h LEU 55 Cb 0.74 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1i6w h LEU 55 CO 0.05 0.93 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.64 1i6w h SER 56 N 1.16 -0.41 -0.95 1.25 0.87 -1.07 -0.43 113.55 113.97 1i6w h SER 56 Ca 0.27 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1i6w h SER 56 Cb 0.16 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1i6w h SER 56 CO -0.03 -0.26 0.61 0.03 -0.53 0.00 0.00 176.83 176.66 1i6w h ARG 57 N -0.40 1.27 -0.21 2.24 3.08 -1.15 -2.29 114.38 116.91 1i6w h ARG 57 Ca -0.02 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1i6w h ARG 57 Cb 0.34 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1i6w h ARG 57 CO 0.01 0.85 0.02 0.35 -1.07 0.00 0.00 179.97 180.14 1i6w h PHE 58 N 1.30 0.38 -0.83 3.04 3.57 -0.96 -2.06 116.94 121.38 1i6w h PHE 58 Ca 0.35 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1i6w h PHE 58 Cb -0.12 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1i6w h PHE 58 CO 0.00 0.51 0.55 0.28 -2.23 0.00 0.00 178.31 177.42 1i6w h VAL 59 N 0.14 1.19 -0.80 1.41 2.07 -0.94 -0.98 116.25 118.34 1i6w h VAL 59 Ca 0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1i6w h VAL 59 Cb 0.35 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1i6w h VAL 59 CO 0.01 0.20 0.46 -0.61 0.02 0.00 0.00 177.57 177.65 1i6w h GLN 60 N 1.10 1.10 -0.50 1.57 5.75 -1.29 -0.94 115.11 121.90 1i6w h GLN 60 Ca 0.31 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1i6w h GLN 60 Cb -0.08 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.22 1i6w h GLN 60 CO -0.08 0.78 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.65 1i6w h LYS 61 N 1.11 0.84 -0.45 1.69 3.64 -0.56 -0.47 116.57 122.37 1i6w h LYS 61 Ca 0.29 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1i6w h LYS 61 Cb -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1i6w h LYS 61 CO -0.05 0.85 0.08 0.28 -2.27 0.00 0.00 179.45 178.34 1i6w h VAL 62 N 0.78 1.24 -0.69 2.00 2.07 -0.39 -0.88 116.25 120.39 1i6w h VAL 62 Ca 0.15 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1i6w h VAL 62 Cb 0.49 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1i6w h VAL 62 CO 0.02 0.31 0.30 -0.07 0.02 0.00 0.00 177.57 178.15 1i6w h LEU 63 N 0.60 0.93 -0.27 2.57 3.38 -0.92 -0.44 115.31 121.15 1i6w h LEU 63 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1i6w h LEU 63 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1i6w h LEU 63 CO 0.01 0.82 0.12 0.44 0.09 0.00 0.00 178.44 179.92 1i6w h ASP 64 N 0.97 0.36 0.69 -0.43 3.32 -0.81 0.57 116.42 121.08 1i6w h ASP 64 Ca 0.23 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 1i6w h ASP 64 Cb 0.16 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1i6w h ASP 64 CO -0.02 0.39 -0.88 -0.33 -1.72 0.00 0.00 179.24 176.68 1i6w h GLU 65 N 0.30 0.12 0.00 3.56 4.39 -1.04 -3.33 114.58 118.58 1i6w h GLU 65 Ca 0.09 -0.14 -0.20 0.00 0.34 0.00 0.00 59.36 59.45 1i6w h GLU 65 Cb 0.13 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1i6w h GLU 65 CO -0.01 0.92 -1.62 0.25 -1.16 0.00 0.00 179.01 177.39 1i6w n THR 66 N -3.60 1.22 -0.93 1.13 -2.24 -0.18 -4.96 114.28 104.71 1i6w n THR 66 Ca -0.03 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1i6w n THR 66 Cb 0.82 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1i6w n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i6w n GLY 67 N 1.46 0.79 3.77 3.38 0.00 0.19 -5.02 105.19 109.76 1i6w n GLY 67 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1i6w n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6w s ALA 68 N -3.10 2.61 0.11 4.61 0.00 -1.24 -4.95 121.76 119.80 1i6w s ALA 68 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1i6w s ALA 68 Cb 0.00 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 1i6w s ALA 68 CO 0.00 -0.96 1.25 0.87 0.00 0.00 0.00 175.76 176.91 1i6w h LYS 69 N 0.80 0.13 -3.74 0.00 1.57 -1.95 -3.45 116.57 109.93 1i6w h LYS 69 Ca -0.49 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.01 1i6w h LYS 69 Cb 1.26 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.51 1i6w h LYS 69 CO 0.56 1.07 -0.29 0.15 -0.57 0.00 0.00 179.45 180.36 1i6w s LYS 70 N -2.78 0.99 0.28 3.15 1.02 -1.26 -4.80 119.74 116.34 1i6w s LYS 70 Ca -0.01 -0.97 0.10 0.00 0.02 0.00 0.00 55.97 55.10 1i6w s LYS 70 Cb 0.09 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1i6w s LYS 70 CO 0.84 -0.35 -0.01 0.14 -0.92 0.00 0.00 175.35 175.06 1i6w s VAL 71 N -3.88 3.22 0.13 3.17 -7.23 -0.33 -4.31 120.40 111.18 1i6w s VAL 71 Ca 0.08 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1i6w s VAL 71 Cb 0.04 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1i6w s VAL 71 CO -0.08 -0.34 0.04 -1.81 -0.31 0.00 0.00 175.10 172.60 1i6w s ASP 72 N -3.68 5.09 -0.03 4.85 1.01 -0.57 -1.20 116.67 122.14 1i6w s ASP 72 Ca 0.32 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.40 1i6w s ASP 72 Cb -0.05 -1.22 -0.00 0.00 1.01 0.00 0.00 42.92 42.66 1i6w s ASP 72 CO 0.20 0.12 -0.14 -0.63 0.21 0.00 0.00 175.17 174.93 1i6w s ILE 73 N -1.55 1.14 -0.20 0.77 1.01 0.13 -0.81 121.20 121.69 1i6w s ILE 73 Ca 0.28 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1i6w s ILE 73 Cb -0.11 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.40 1i6w s ILE 73 CO 0.20 0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 1i6w s VAL 74 N 0.06 2.05 -0.01 2.92 1.01 -0.57 -0.52 120.40 125.33 1i6w s VAL 74 Ca -0.02 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1i6w s VAL 74 Cb -0.10 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1i6w s VAL 74 CO 0.01 0.41 -0.18 0.00 0.00 0.00 0.00 175.10 175.34 1i6w s ALA 75 N 1.26 1.47 -0.02 5.51 0.00 0.18 -0.83 121.76 129.33 1i6w s ALA 75 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1i6w s ALA 75 Cb -0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1i6w s ALA 75 CO -0.11 0.36 -0.20 -1.58 0.00 0.00 0.00 175.76 174.23 1i6w s HIS 76 N -0.44 2.53 0.00 0.00 5.65 -0.71 -0.21 115.29 122.10 1i6w s HIS 76 Ca 0.07 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.09 1i6w s HIS 76 Cb -0.07 -1.54 0.00 0.00 -1.18 0.00 0.00 32.58 29.79 1i6w s HIS 76 CO -0.01 0.12 0.00 0.45 -0.65 0.00 0.00 174.74 174.66 1i6w n SER 77 N 2.16 0.00 0.31 9.88 2.88 -0.77 -0.75 113.62 127.33 1i6w n SER 77 Ca -0.17 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.57 1i6w n SER 77 Cb 0.52 0.00 1.03 0.00 -0.75 0.00 0.00 64.21 65.01 1i6w n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1i6w h MET 78 N 0.00 0.00 0.00 -1.46 1.85 -1.77 -0.61 114.93 112.94 1i6w h MET 78 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1i6w h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1i6w h MET 78 CO 0.00 0.02 -0.03 0.78 -0.40 0.00 0.00 176.91 177.27 1i6w h GLY 79 N 0.36 0.00 0.94 1.39 0.00 -0.93 -1.25 103.07 103.59 1i6w h GLY 79 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1i6w h GLY 79 CO 0.00 0.00 -0.09 -1.33 0.00 0.00 0.00 176.54 175.12 1i6w h GLY 80 N 0.18 0.75 0.95 4.60 0.00 -1.31 -0.92 103.07 107.33 1i6w h GLY 80 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1i6w h GLY 80 CO 0.00 0.57 0.13 0.00 0.00 0.00 0.00 176.54 177.24 1i6w h ALA 81 N 0.82 0.59 -0.87 3.60 0.00 -1.40 -2.29 119.26 119.71 1i6w h ALA 81 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i6w h ALA 81 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1i6w h ALA 81 CO 0.04 0.25 0.54 -0.91 0.00 0.00 0.00 179.25 179.17 1i6w h ASN 82 N 0.59 1.03 -0.31 0.00 2.35 -1.17 -0.50 115.58 117.57 1i6w h ASN 82 Ca 0.14 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1i6w h ASN 82 Cb 0.28 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1i6w h ASN 82 CO -0.00 0.77 0.10 0.74 -1.65 0.00 0.00 177.43 177.39 1i6w h THR 83 N 1.19 1.20 -0.20 2.81 2.02 -1.00 -0.73 112.91 118.19 1i6w h THR 83 Ca 0.31 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1i6w h THR 83 Cb -0.08 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1i6w h THR 83 CO -0.06 0.22 -0.28 -0.07 0.37 0.00 0.00 175.52 175.69 1i6w h LEU 84 N 0.34 0.39 -0.43 2.58 3.38 -1.18 -2.12 115.31 118.27 1i6w h LEU 84 Ca 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1i6w h LEU 84 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1i6w h LEU 84 CO -0.00 0.67 -0.03 0.22 0.09 0.00 0.00 178.44 179.39 1i6w h TYR 85 N 0.34 0.86 -0.72 1.13 5.03 -0.86 0.22 116.97 122.98 1i6w h TYR 85 Ca 0.05 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1i6w h TYR 85 Cb 0.68 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 1i6w h TYR 85 CO 0.02 0.85 0.46 -0.92 -1.32 0.00 0.00 178.16 177.26 1i6w h TYR 86 N 0.62 0.93 -0.18 -3.82 3.20 -0.91 0.20 116.97 116.99 1i6w h TYR 86 Ca 0.12 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 1i6w h TYR 86 Cb 0.53 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1i6w h TYR 86 CO 0.04 0.60 -0.55 0.82 -1.64 0.00 0.00 178.16 177.43 1i6w h ILE 87 N 0.98 1.31 0.03 1.81 2.04 -1.19 -2.15 117.51 120.35 1i6w h ILE 87 Ca 0.26 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 1i6w h ILE 87 Cb -0.09 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1i6w h ILE 87 CO -0.05 0.56 -0.01 0.50 0.00 0.00 0.00 178.15 179.14 1i6w h LYS 88 N 0.39 -0.04 0.00 2.37 3.64 -0.35 -3.31 116.57 119.27 1i6w h LYS 88 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1i6w h LYS 88 Cb 1.17 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1i6w h LYS 88 CO 0.12 0.66 -1.00 0.09 -2.27 0.00 0.00 179.45 177.05 1i6w n ASN 89 N -4.74 0.85 0.00 4.20 4.13 0.68 -5.01 115.26 115.37 1i6w n ASN 89 Ca -0.09 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1i6w n ASN 89 Cb 0.35 1.10 0.00 0.00 -1.54 0.00 0.00 39.78 39.69 1i6w n ASN 89 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1i6w n LEU 90 N -1.52 0.00 -1.89 3.41 4.77 -0.93 -5.03 117.00 115.81 1i6w n LEU 90 Ca 0.03 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 1i6w n LEU 90 Cb 0.31 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.79 1i6w n LEU 90 CO 0.38 0.00 0.89 -0.90 -1.33 0.00 0.00 177.39 176.43 1i6w n ASP 91 N 0.00 5.53 0.03 -1.43 5.75 -1.21 -4.52 116.55 120.70 1i6w n ASP 91 Ca 0.00 -2.96 0.14 0.00 -0.01 0.00 0.00 54.79 51.96 1i6w n ASP 91 Cb 0.00 -0.69 0.54 0.00 -1.03 0.00 0.00 41.12 39.93 1i6w n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i6w n GLY 92 N 0.49 -1.54 0.44 6.12 0.00 -0.85 -4.22 105.19 105.64 1i6w n GLY 92 Ca 0.29 -0.09 0.26 0.00 0.00 0.00 0.00 46.02 46.48 1i6w n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i6w h GLY 93 N 4.86 0.00 -0.41 -0.02 0.00 -1.78 -2.21 103.07 103.52 1i6w h GLY 93 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1i6w h GLY 93 CO 0.00 0.00 -0.19 1.16 0.00 0.00 0.00 176.54 177.51 1i6w n ASN 94 N -4.04 1.88 0.00 0.19 6.94 -1.26 -0.66 115.26 118.31 1i6w n ASN 94 Ca 0.15 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.67 1i6w n ASN 94 Cb 0.88 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1i6w n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1i6w n LYS 95 N -1.12 -0.04 -5.26 -3.83 5.02 -0.84 -4.92 118.16 107.16 1i6w n LYS 95 Ca 0.14 -0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 55.74 1i6w n LYS 95 Cb 0.67 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 34.64 1i6w n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i6w s VAL 96 N -0.10 2.01 -0.03 -0.18 1.01 -1.20 -1.19 120.40 120.71 1i6w s VAL 96 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1i6w s VAL 96 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1i6w s VAL 96 CO 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 1i6w n ALA 97 N 2.64 1.15 -2.92 5.51 0.00 -0.34 -4.68 120.51 121.87 1i6w n ALA 97 Ca -0.16 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 1i6w n ALA 97 Cb 0.52 0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1i6w n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1i6w s ASN 98 N -4.80 4.53 -0.10 0.00 0.01 -1.26 -1.40 114.94 111.93 1i6w s ASN 98 Ca -0.06 -0.17 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1i6w s ASN 98 Cb 0.01 -1.62 -0.00 0.00 0.41 0.00 0.00 41.25 40.04 1i6w s ASN 98 CO 0.09 0.20 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.95 1i6w s VAL 99 N 0.16 2.07 -0.11 1.60 1.01 0.24 -0.70 120.40 124.67 1i6w s VAL 99 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1i6w s VAL 99 Cb -0.14 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1i6w s VAL 99 CO 0.04 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.91 1i6w s VAL 100 N 0.28 1.10 0.04 2.92 1.01 0.32 -1.38 120.40 124.70 1i6w s VAL 100 Ca -0.17 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1i6w s VAL 100 Cb -0.17 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1i6w s VAL 100 CO 0.08 0.38 -0.12 0.42 0.00 0.00 0.00 175.10 175.86 1i6w s THR 101 N 1.50 3.22 -0.25 3.92 -4.23 -0.40 -0.65 115.64 118.74 1i6w s THR 101 Ca 0.01 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1i6w s THR 101 Cb -0.13 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.36 1i6w s THR 101 CO -0.06 0.30 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.46 1i6w s LEU 102 N -1.61 3.19 -1.46 4.79 1.43 0.70 -0.93 118.68 124.79 1i6w s LEU 102 Ca 0.17 -1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 51.86 1i6w s LEU 102 Cb -0.11 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1i6w s LEU 102 CO 0.08 -0.20 0.80 0.61 0.23 0.00 0.00 176.35 177.87 1i6w n GLY 103 N 4.50 -0.52 3.74 -3.19 0.00 0.57 -1.85 105.19 108.45 1i6w n GLY 103 Ca -0.14 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1i6w n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i6w s GLY 104 N -2.98 2.62 -0.30 -0.02 0.00 -1.26 -2.96 107.32 102.42 1i6w s GLY 104 Ca 0.47 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.24 1i6w s GLY 104 CO 0.58 1.97 3.01 0.00 0.00 0.00 0.00 173.10 178.66 1i6w n ALA 105 N 2.21 6.37 -0.28 3.20 0.00 -0.37 -3.31 120.51 128.33 1i6w n ALA 105 Ca 0.04 -2.60 0.06 0.00 0.00 0.00 0.00 53.44 50.94 1i6w n ALA 105 Cb 0.43 -2.17 0.20 0.00 0.00 0.00 0.00 19.45 17.92 1i6w n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1i6w h ASN 106 N 2.94 0.47 0.19 0.00 2.35 -1.72 -2.43 115.58 117.37 1i6w h ASN 106 Ca 0.32 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1i6w h ASN 106 Cb 0.98 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1i6w h ASN 106 CO 0.66 0.20 0.00 0.54 -1.65 0.00 0.00 177.43 177.19 1i6w n ARG 107 N -4.90 0.31 0.13 0.81 1.74 -0.08 -1.29 116.66 113.38 1i6w n ARG 107 Ca 0.16 0.10 0.12 0.00 -0.77 0.00 0.00 57.85 57.45 1i6w n ARG 107 Cb 0.41 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.84 1i6w n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i6w n LEU 108 N -1.19 0.71 -0.02 0.55 4.77 -0.92 -3.83 117.00 117.07 1i6w n LEU 108 Ca 0.09 0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 56.68 1i6w n LEU 108 Cb 0.10 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1i6w n LEU 108 CO 0.11 -0.54 -0.39 0.41 -1.33 0.00 0.00 177.39 175.65 1i6w n THR 109 N -2.27 1.23 -3.48 -5.08 -1.04 -0.41 -5.11 114.28 98.12 1i6w n THR 109 Ca 0.02 0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1i6w n THR 109 Cb 0.25 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 1i6w n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1i6w s THR 110 N -2.35 0.02 -2.50 12.58 -1.32 -0.81 -5.02 115.64 116.24 1i6w s THR 110 Ca -0.13 -0.14 0.21 0.00 -1.21 0.00 0.00 61.69 60.41 1i6w s THR 110 Cb 0.02 -1.04 0.21 0.00 -1.51 0.00 0.00 72.50 70.19 1i6w s THR 110 CO 0.18 -0.08 1.19 0.61 -2.21 0.00 0.00 174.62 174.32 1i6w n GLY 111 N -0.24 0.87 3.68 6.08 0.00 -1.26 -3.32 105.19 110.99 1i6w n GLY 111 Ca -0.17 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1i6w n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i6w s LYS 112 N -1.65 2.87 -1.13 1.61 2.20 -1.26 -0.55 119.74 121.83 1i6w s LYS 112 Ca 0.26 -0.53 -0.21 0.00 -0.36 0.00 0.00 55.97 55.14 1i6w s LYS 112 Cb 0.18 -2.72 0.07 0.00 -1.51 0.00 0.00 37.83 33.85 1i6w s LYS 112 CO 0.26 0.66 1.54 0.00 -0.36 0.00 0.00 175.35 177.45 1i6w s ALA 113 N -1.00 3.01 -0.07 3.13 0.00 -0.49 -4.78 121.76 121.57 1i6w s ALA 113 Ca 0.17 -2.57 -0.34 0.00 0.00 0.00 0.00 51.96 49.22 1i6w s ALA 113 Cb -0.11 -4.54 -0.12 0.00 0.00 0.00 0.00 23.12 18.35 1i6w s ALA 113 CO 0.07 -3.44 1.87 1.28 0.00 0.00 0.00 175.76 175.54 1i6w n LEU 114 N 8.48 3.48 0.25 0.00 4.77 -1.26 -4.83 117.00 127.90 1i6w n LEU 114 Ca 0.39 0.97 0.11 0.00 -0.03 0.00 0.00 56.01 57.45 1i6w n LEU 114 Cb 0.49 -1.39 0.67 0.00 -2.33 0.00 0.00 43.42 40.87 1i6w n LEU 114 CO 0.69 -0.05 0.95 1.55 -1.33 0.00 0.00 177.39 179.20 1i6w h PRO 115 N 9.12 0.00 0.00 3.23 0.13 -1.92 -3.41 132.00 139.15 1i6w h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1i6w h PRO 115 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1i6w h PRO 115 CO 0.94 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 1i6w n GLY 116 N -0.67 -1.80 0.23 1.56 0.00 -1.26 -1.15 105.19 102.10 1i6w n GLY 116 Ca -0.02 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.18 1i6w n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i6w n THR 117 N 0.00 0.91 -3.14 2.61 -2.24 0.17 -4.91 114.28 107.69 1i6w n THR 117 Ca 0.00 -0.96 -0.44 0.00 -2.27 0.00 0.00 64.05 60.38 1i6w n THR 117 Cb 0.00 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1i6w n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i6w s ASP 118 N -0.94 6.21 0.63 3.42 -1.08 -1.25 -4.86 116.67 118.80 1i6w s ASP 118 Ca 0.08 -1.03 0.40 0.00 -0.52 0.00 0.00 52.55 51.48 1i6w s ASP 118 Cb 0.04 -2.29 2.16 0.00 -1.46 0.00 0.00 42.92 41.37 1i6w s ASP 118 CO 0.06 -0.95 2.21 1.55 0.52 0.00 0.00 175.17 178.56 1i6w h PRO 119 N 9.05 0.00 -0.01 4.34 0.13 -1.96 -2.19 132.00 141.35 1i6w h PRO 119 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1i6w h PRO 119 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6w h PRO 119 CO 1.00 0.00 -0.39 0.09 -0.23 0.00 0.00 178.00 178.47 1i6w n ASN 120 N -2.95 1.47 -3.15 1.44 5.03 -1.26 -4.84 115.26 111.00 1i6w n ASN 120 Ca -0.03 -1.17 0.04 0.00 0.87 0.00 0.00 54.58 54.30 1i6w n ASN 120 Cb 0.13 0.33 -0.01 0.00 -1.02 0.00 0.00 39.78 39.20 1i6w n ASN 120 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1i6w s GLN 121 N -2.52 0.55 0.42 3.52 0.74 -0.82 -5.15 119.66 116.40 1i6w s GLN 121 Ca 0.21 0.92 -0.23 0.00 0.05 0.00 0.00 55.36 56.31 1i6w s GLN 121 Cb 0.19 0.50 -0.09 0.00 1.10 0.00 0.00 33.01 34.71 1i6w s GLN 121 CO 0.56 -0.66 1.04 0.15 -0.55 0.00 0.00 175.29 175.82 1i6w s LYS 122 N 2.86 4.10 0.16 1.67 1.02 -1.26 -4.50 119.74 123.79 1i6w s LYS 122 Ca 0.19 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.32 1i6w s LYS 122 Cb -0.14 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.66 1i6w s LYS 122 CO -0.21 -0.19 1.34 0.42 -0.92 0.00 0.00 175.35 175.79 1i6w s ILE 123 N -1.76 3.27 -0.13 2.17 1.01 -0.30 -4.99 121.20 120.47 1i6w s ILE 123 Ca 0.60 0.98 -0.07 0.00 0.00 0.00 0.00 60.65 62.16 1i6w s ILE 123 Cb -0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1i6w s ILE 123 CO 0.25 0.11 0.12 -0.76 0.00 0.00 0.00 174.94 174.67 1i6w s LEU 124 N 0.44 4.27 0.09 2.97 1.43 -0.49 -4.65 118.68 122.74 1i6w s LEU 124 Ca 0.60 0.38 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 1i6w s LEU 124 Cb -0.36 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1i6w s LEU 124 CO 0.35 0.35 -0.23 -0.31 0.23 0.00 0.00 176.35 176.74 1i6w s TYR 125 N -0.70 1.96 -0.08 0.29 1.51 -0.29 -0.59 117.35 119.46 1i6w s TYR 125 Ca 0.13 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1i6w s TYR 125 Cb -0.12 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1i6w s TYR 125 CO 0.03 0.21 0.02 0.99 -1.11 0.00 0.00 175.55 175.69 1i6w s THR 126 N -1.03 0.24 -0.27 -0.71 2.01 -0.48 -1.11 115.64 114.29 1i6w s THR 126 Ca 0.09 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 1i6w s THR 126 Cb -0.10 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1i6w s THR 126 CO 0.04 0.17 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.57 1i6w s SER 127 N 2.02 4.61 -0.17 3.53 0.15 -0.12 -1.28 113.70 122.44 1i6w s SER 127 Ca 0.04 -0.93 -0.07 0.00 0.70 0.00 0.00 55.95 55.70 1i6w s SER 127 Cb -0.13 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 1i6w s SER 127 CO -0.05 -0.17 0.05 -0.63 1.20 0.00 0.00 173.24 173.64 1i6w s ILE 128 N 1.35 4.68 -0.02 6.45 1.01 -0.11 -0.48 121.20 134.08 1i6w s ILE 128 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1i6w s ILE 128 Cb -0.17 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1i6w s ILE 128 CO -0.02 0.48 0.26 -0.72 0.00 0.00 0.00 174.94 174.93 1i6w s TYR 129 N 0.25 -0.12 -0.07 3.97 1.13 -0.88 -0.32 117.35 121.31 1i6w s TYR 129 Ca 0.03 0.18 0.01 0.00 -1.41 0.00 0.00 57.07 55.88 1i6w s TYR 129 Cb -0.12 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.76 1i6w s TYR 129 CO 0.01 -0.34 -0.09 0.45 -2.51 0.00 0.00 175.55 173.07 1i6w s SER 130 N -1.24 4.50 0.34 -0.18 0.15 -1.26 -0.82 113.70 115.18 1i6w s SER 130 Ca -0.13 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.70 1i6w s SER 130 Cb -0.06 -1.16 1.16 0.00 -1.71 0.00 0.00 66.02 64.26 1i6w s SER 130 CO 0.03 0.34 1.77 0.77 1.20 0.00 0.00 173.24 177.35 1i6w h SER 131 N 5.42 0.00 0.14 5.45 4.64 -1.56 -1.37 113.55 126.27 1i6w h SER 131 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1i6w h SER 131 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i6w h SER 131 CO 0.53 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 176.33 1i6w n ALA 132 N -1.83 2.88 -2.55 5.18 0.00 -1.26 -4.81 120.51 118.12 1i6w n ALA 132 Ca 0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1i6w n ALA 132 Cb 0.18 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1i6w n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6w s ASP 133 N -2.31 6.41 0.00 0.00 -1.08 -0.52 -4.72 116.67 114.46 1i6w s ASP 133 Ca 0.30 -0.05 0.14 0.00 -0.52 0.00 0.00 52.55 52.41 1i6w s ASP 133 Cb 0.20 -2.35 -0.11 0.00 -1.46 0.00 0.00 42.92 39.20 1i6w s ASP 133 CO 0.45 -0.78 0.65 0.23 0.52 0.00 0.00 175.17 176.24 1i6w n MET 134 N 6.40 2.27 -0.04 4.34 2.81 -1.26 -4.41 117.12 127.22 1i6w n MET 134 Ca 0.00 -0.23 -0.13 0.00 -1.81 0.00 0.00 57.70 55.54 1i6w n MET 134 Cb 0.48 -1.17 -0.08 0.00 -0.71 0.00 0.00 33.22 31.74 1i6w n MET 134 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1i6w h ILE 135 N 0.48 1.36 -3.67 2.02 5.03 -1.99 -3.38 117.51 117.37 1i6w h ILE 135 Ca 0.00 -1.31 -0.65 0.00 -0.12 0.00 0.00 64.86 62.77 1i6w h ILE 135 Cb 0.37 1.98 -0.40 0.00 -3.03 0.00 0.00 36.82 35.75 1i6w h ILE 135 CO 0.00 0.38 -0.74 -0.69 -0.68 0.00 0.00 178.15 176.42 1i6w s VAL 136 N -4.23 2.14 0.33 1.67 1.01 -1.26 -5.09 120.40 114.96 1i6w s VAL 136 Ca -0.15 -2.14 -0.28 0.00 0.00 0.00 0.00 61.98 59.41 1i6w s VAL 136 Cb 0.04 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.77 1i6w s VAL 136 CO 0.74 -0.51 1.28 0.23 0.00 0.00 0.00 175.10 176.85 1i6w n MET 137 N 4.33 2.06 -0.07 2.72 2.81 -1.26 -4.87 117.12 122.85 1i6w n MET 137 Ca 0.00 0.73 0.21 0.00 -1.81 0.00 0.00 57.70 56.83 1i6w n MET 137 Cb 0.42 -2.30 0.65 0.00 -0.71 0.00 0.00 33.22 31.28 1i6w n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1i6w h ASN 138 N 2.71 0.09 0.52 7.83 2.35 -1.87 -0.74 115.58 126.47 1i6w h ASN 138 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1i6w h ASN 138 Cb 1.29 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1i6w h ASN 138 CO 0.64 0.04 0.00 0.10 -1.65 0.00 0.00 177.43 176.56 1i6w h TYR 139 N 0.09 0.00 0.00 1.19 -0.00 -1.96 -1.73 116.97 114.56 1i6w h TYR 139 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.04 1i6w h TYR 139 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 1i6w h TYR 139 CO -0.00 0.00 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.63 1i6w h LEU 140 N 0.00 0.00 0.03 0.10 3.38 -1.45 -3.35 115.31 114.02 1i6w h LEU 140 Ca 0.00 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.62 1i6w h LEU 140 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i6w h LEU 140 CO 0.00 0.02 -1.77 -1.20 0.09 0.00 0.00 178.44 175.58 1i6w n SER 141 N -2.66 1.12 -4.73 -0.43 7.64 -0.67 -0.90 113.62 112.99 1i6w n SER 141 Ca 0.03 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 1i6w n SER 141 Cb 0.51 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1i6w n SER 141 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1i6w s ARG 142 N -2.59 4.15 -0.10 1.43 0.52 -1.09 -4.80 118.95 116.48 1i6w s ARG 142 Ca -0.08 2.54 0.03 0.00 -0.52 0.00 0.00 55.73 57.70 1i6w s ARG 142 Cb 0.08 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1i6w s ARG 142 CO 0.81 -0.65 -0.21 -0.51 0.02 0.00 0.00 175.30 174.76 1i6w s LEU 143 N 0.33 1.99 -0.07 2.53 1.43 -1.26 -4.85 118.68 118.77 1i6w s LEU 143 Ca 0.68 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 1i6w s LEU 143 Cb -0.47 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1i6w s LEU 143 CO 0.40 0.12 1.89 -1.81 0.23 0.00 0.00 176.35 177.17 1i6w s ASP 144 N 0.48 6.30 0.00 2.29 1.01 0.29 -1.90 116.67 125.14 1i6w s ASP 144 Ca -0.16 2.25 0.00 0.00 0.71 0.00 0.00 52.55 55.35 1i6w s ASP 144 Cb -0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1i6w s ASP 144 CO 0.06 -1.23 0.00 0.61 0.21 0.00 0.00 175.17 174.83 1i6w n GLY 145 N 4.70 1.10 3.96 0.21 0.00 -1.26 -1.40 105.19 112.50 1i6w n GLY 145 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1i6w n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6w s ALA 146 N -2.26 3.29 -0.66 4.61 0.00 -0.80 -1.58 121.76 124.36 1i6w s ALA 146 Ca 0.00 -1.34 -0.21 0.00 0.00 0.00 0.00 51.96 50.41 1i6w s ALA 146 Cb 0.00 -2.34 0.08 0.00 0.00 0.00 0.00 23.12 20.87 1i6w s ALA 146 CO 0.00 -1.50 0.91 0.50 0.00 0.00 0.00 175.76 175.67 1i6w s ARG 147 N -5.26 3.13 -0.29 0.00 3.52 -0.57 -4.84 118.95 114.63 1i6w s ARG 147 Ca 0.65 -1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 55.04 1i6w s ARG 147 Cb -0.07 -4.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.01 1i6w s ARG 147 CO 0.45 -1.75 0.56 -0.80 -0.81 0.00 0.00 175.30 172.95 1i6w s ASN 148 N 3.67 6.44 -0.24 -2.12 0.01 -1.26 -0.95 114.94 120.49 1i6w s ASN 148 Ca 0.20 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.74 1i6w s ASN 148 Cb -0.18 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1i6w s ASN 148 CO 0.08 -0.39 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.49 1i6w s VAL 149 N 2.44 2.67 -0.16 1.60 1.01 0.36 -4.97 120.40 123.35 1i6w s VAL 149 Ca 0.22 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 1i6w s VAL 149 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1i6w s VAL 149 CO 0.11 0.23 0.53 -1.58 0.00 0.00 0.00 175.10 174.39 1i6w s GLN 150 N 1.29 4.26 0.38 2.72 2.00 -1.26 -2.07 119.66 126.99 1i6w s GLN 150 Ca -0.00 0.48 0.04 0.00 -2.00 0.00 0.00 55.36 53.88 1i6w s GLN 150 Cb -0.16 -3.51 -0.06 0.00 0.80 0.00 0.00 33.01 30.08 1i6w s GLN 150 CO -0.06 -0.03 0.05 0.96 -0.50 0.00 0.00 175.29 175.71 1i6w s ILE 151 N 1.24 1.31 0.17 -2.34 -4.36 0.00 -4.98 121.20 112.25 1i6w s ILE 151 Ca 0.26 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1i6w s ILE 151 Cb -0.15 -2.71 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 1i6w s ILE 151 CO 0.10 0.00 0.02 -1.00 0.24 0.00 0.00 174.94 174.30 1i6w s HIS 152 N -3.08 1.16 0.00 1.37 3.76 -1.26 -1.49 115.29 115.75 1i6w s HIS 152 Ca 0.31 -1.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1i6w s HIS 152 Cb 0.07 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 33.10 1i6w s HIS 152 CO 0.15 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1i6w n GLY 153 N -0.23 0.34 3.39 -2.22 0.00 -1.26 -4.93 105.19 100.28 1i6w n GLY 153 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1i6w n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6w s VAL 154 N -1.73 2.83 0.78 1.61 1.01 -1.26 -5.01 120.40 118.63 1i6w s VAL 154 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1i6w s VAL 154 Cb 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.33 1i6w s VAL 154 CO 0.00 0.56 1.14 -0.83 0.00 0.00 0.00 175.10 175.97 1i6w s GLY 155 N -0.24 1.61 0.13 4.51 0.00 -1.26 -3.79 107.32 108.28 1i6w s GLY 155 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 44.72 43.84 1i6w s GLY 155 CO 0.03 -0.21 1.69 0.84 0.00 0.00 0.00 173.10 175.44 1i6w h HIS 156 N -0.93 -0.23 -0.04 1.90 2.76 -1.95 -2.37 115.15 114.29 1i6w h HIS 156 Ca -0.46 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.57 1i6w h HIS 156 Cb 1.32 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.40 1i6w h HIS 156 CO 0.33 -0.15 -0.71 0.82 -1.30 0.00 0.00 177.93 176.92 1i6w h ILE 157 N -0.09 1.44 0.00 6.26 2.04 -2.01 -3.06 117.51 122.08 1i6w h ILE 157 Ca 0.09 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1i6w h ILE 157 Cb 0.23 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1i6w h ILE 157 CO -0.22 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1i6w n GLY 158 N 0.51 -0.92 0.31 5.37 0.00 -0.93 -1.40 105.19 108.14 1i6w n GLY 158 Ca -0.03 0.18 0.20 0.00 0.00 0.00 0.00 46.02 46.37 1i6w n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i6w h LEU 159 N 0.00 0.00 0.00 0.99 3.38 -1.36 -1.56 115.31 116.76 1i6w h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i6w h LEU 159 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1i6w h LEU 159 CO 0.00 0.01 -0.04 0.18 0.09 0.00 0.00 178.44 178.68 1i6w n LEU 160 N -3.14 0.55 -2.81 1.67 4.77 -0.49 -4.11 117.00 113.43 1i6w n LEU 160 Ca -0.02 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1i6w n LEU 160 Cb 0.16 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1i6w n LEU 160 CO 0.23 -0.11 -0.07 0.00 -1.33 0.00 0.00 177.39 176.10 1i6w n TYR 161 N -2.00 0.38 -4.85 -1.77 0.18 -0.60 -4.24 117.16 104.26 1i6w n TYR 161 Ca 0.06 -2.97 -0.33 0.00 1.88 0.00 0.00 57.90 56.54 1i6w n TYR 161 Cb 0.40 -0.13 -0.16 0.00 -0.38 0.00 0.00 39.34 39.08 1i6w n TYR 161 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1i6w s SER 162 N -2.68 3.52 0.30 9.48 0.15 -1.15 -5.02 113.70 118.30 1i6w s SER 162 Ca 0.30 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1i6w s SER 162 Cb 0.42 -1.51 0.48 0.00 -1.71 0.00 0.00 66.02 63.69 1i6w s SER 162 CO -0.01 0.13 1.77 0.77 1.20 0.00 0.00 173.24 177.10 1i6w h SER 163 N 6.92 0.46 -0.13 5.45 4.64 -1.95 0.38 113.55 129.32 1i6w h SER 163 Ca -0.26 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1i6w h SER 163 Cb 1.21 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1i6w h SER 163 CO 0.53 0.67 0.05 -0.61 -0.87 0.00 0.00 176.83 176.60 1i6w h GLN 164 N 0.43 0.20 -0.51 4.77 5.75 -1.99 -1.59 115.11 122.16 1i6w h GLN 164 Ca 0.07 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1i6w h GLN 164 Cb 0.57 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1i6w h GLN 164 CO 0.04 0.30 0.30 0.28 -2.65 0.00 0.00 178.83 177.10 1i6w h VAL 165 N 0.05 1.16 -0.57 2.39 2.07 -1.83 -2.75 116.25 116.77 1i6w h VAL 165 Ca 0.04 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1i6w h VAL 165 Cb 0.18 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1i6w h VAL 165 CO -0.00 0.16 0.21 0.78 0.02 0.00 0.00 177.57 178.75 1i6w h ASN 166 N 0.68 0.22 -0.47 0.57 2.35 -0.70 -0.45 115.58 117.79 1i6w h ASN 166 Ca 0.18 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1i6w h ASN 166 Cb 0.00 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1i6w h ASN 166 CO -0.03 0.15 0.28 0.77 -1.65 0.00 0.00 177.43 176.94 1i6w h SER 167 N 0.40 0.57 0.72 5.81 4.64 -1.02 -1.29 113.55 123.39 1i6w h SER 167 Ca 0.28 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 1i6w h SER 167 Cb 0.32 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1i6w h SER 167 CO -0.27 0.45 -0.82 -0.07 -0.87 0.00 0.00 176.83 175.24 1i6w h LEU 168 N 0.66 0.09 -0.41 5.97 3.38 -1.04 -2.01 115.31 121.95 1i6w h LEU 168 Ca 0.17 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1i6w h LEU 168 Cb -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1i6w h LEU 168 CO -0.03 0.87 0.02 0.40 0.09 0.00 0.00 178.44 179.79 1i6w h ILE 169 N 0.04 1.25 -0.45 1.22 2.04 -0.39 -0.61 117.51 120.61 1i6w h ILE 169 Ca -0.02 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1i6w h ILE 169 Cb 1.44 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1i6w h ILE 169 CO 0.11 0.33 0.30 0.50 0.00 0.00 0.00 178.15 179.40 1i6w h LYS 170 N 0.55 0.60 -0.81 2.37 3.64 -1.18 0.09 116.57 121.82 1i6w h LYS 170 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1i6w h LYS 170 Cb 0.44 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1i6w h LYS 170 CO 0.02 0.40 0.44 0.93 -2.27 0.00 0.00 179.45 178.96 1i6w h GLU 171 N 0.62 1.13 -0.23 1.90 5.08 -1.12 -2.06 114.58 119.89 1i6w h GLU 171 Ca 0.17 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1i6w h GLU 171 Cb -0.07 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1i6w h GLU 171 CO -0.04 0.84 -0.03 0.78 -1.00 0.00 0.00 179.01 179.56 1i6w h GLY 172 N 1.12 0.46 2.00 -3.84 0.00 -0.66 0.29 103.07 102.44 1i6w h GLY 172 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1i6w h GLY 172 CO -0.04 0.33 0.00 1.41 0.00 0.00 0.00 176.54 178.24 1i6w h LEU 173 N 0.17 0.00 -2.28 3.11 3.38 -0.86 -1.30 115.31 117.53 1i6w h LEU 173 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i6w h LEU 173 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1i6w h LEU 173 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1i6w n ASN 174 N -2.76 3.43 0.00 -0.43 5.03 -0.79 -4.89 115.26 114.85 1i6w n ASN 174 Ca 0.00 -2.28 0.00 0.00 0.87 0.00 0.00 54.58 53.17 1i6w n ASN 174 Cb 0.21 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 1i6w n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i6w n GLY 175 N 0.95 0.71 0.00 7.41 0.00 -0.49 -4.96 105.19 108.80 1i6w n GLY 175 Ca 0.18 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1i6w n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6w n GLY 176 N -2.55 -1.05 3.45 -0.02 0.00 0.10 -4.85 105.19 100.27 1i6w n GLY 176 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1i6w n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6w n GLY 177 N 1.02 -1.93 3.24 -0.02 0.00 -1.26 -4.81 105.19 101.44 1i6w n GLY 177 Ca 0.21 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1i6w n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6w s GLN 178 N -5.55 1.17 -0.38 1.61 -0.21 -0.26 -4.69 119.66 111.35 1i6w s GLN 178 Ca 0.68 -1.51 0.03 0.00 0.02 0.00 0.00 55.36 54.59 1i6w s GLN 178 Cb -0.03 0.29 0.18 0.00 1.00 0.00 0.00 33.01 34.45 1i6w s GLN 178 CO 0.49 -0.39 0.74 1.21 -2.12 0.00 0.00 175.29 175.22 1i6w s ASN 179 N -3.10 -1.23 -0.00 5.90 3.84 -1.04 -1.13 114.94 118.17 1i6w s ASN 179 Ca 0.32 -0.53 0.02 0.00 0.21 0.00 0.00 52.86 52.88 1i6w s ASN 179 Cb 0.06 1.59 0.07 0.00 -0.55 0.00 0.00 41.25 42.42 1i6w s ASN 179 CO 0.08 -0.15 1.01 0.35 -2.79 0.00 0.00 177.10 175.61 1i6w n THR 180 N 4.36 0.12 1.39 -5.21 -2.24 -0.61 -5.02 114.28 107.07 1i6w n THR 180 Ca 0.09 -0.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1i6w n THR 180 Cb 0.58 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.25 1i6w n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09