#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwi h ASP 5 N 0.00 0.00 0.00 0.00 5.19 -1.99 -3.35 116.42 116.27 3hwi h ASP 5 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hwi h ASP 5 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3hwi h ASP 5 CO 0.00 0.27 -0.11 1.33 -3.12 0.00 0.00 179.24 177.60 3hwi n VAL 6 N -3.61 0.00 -4.08 -1.35 0.24 -0.93 -4.72 118.33 103.87 3hwi n VAL 6 Ca -0.01 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 3hwi n VAL 6 Cb 0.40 0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 33.44 3hwi n VAL 6 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hwi s LEU 7 N -1.08 1.70 0.11 1.34 2.96 -0.57 -1.17 118.68 121.97 3hwi s LEU 7 Ca 0.00 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3hwi s LEU 7 Cb 0.00 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 3hwi s LEU 7 CO 0.00 0.00 -0.21 0.68 -1.32 0.00 0.00 176.35 175.50 3hwi s VAL 8 N 0.33 1.74 0.64 1.68 -7.23 -0.05 -4.05 120.40 113.46 3hwi s VAL 8 Ca -0.03 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 3hwi s VAL 8 Cb -0.07 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.31 3hwi s VAL 8 CO -0.00 -0.08 0.96 -0.94 -0.31 0.00 0.00 175.10 174.72 3hwi s SER 9 N -1.98 5.27 0.26 4.85 1.04 -1.26 0.37 113.70 122.25 3hwi s SER 9 Ca 0.07 0.63 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 3hwi s SER 9 Cb -0.10 -1.48 0.34 0.00 0.10 0.00 0.00 66.02 64.89 3hwi s SER 9 CO 0.04 -1.29 1.80 0.00 0.98 0.00 0.00 173.24 174.78 3hwi h ALA 10 N -0.37 1.16 -0.24 5.32 0.00 -1.96 -0.60 119.26 122.56 3hwi h ALA 10 Ca -0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3hwi h ALA 10 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hwi h ALA 10 CO 0.61 0.57 0.07 -0.44 0.00 0.00 0.00 179.25 180.05 3hwi h ASP 11 N 0.87 0.36 -0.31 0.00 3.32 -1.98 0.11 116.42 118.80 3hwi h ASP 11 Ca 0.19 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.08 3hwi h ASP 11 Cb 0.30 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3hwi h ASP 11 CO -0.00 0.49 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.72 3hwi h TRP 12 N 0.22 -0.09 0.03 4.55 7.01 -1.91 -1.28 115.95 124.48 3hwi h TRP 12 Ca 0.08 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.11 3hwi h TRP 12 Cb 0.26 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3hwi h TRP 12 CO 0.01 -0.10 -0.05 0.00 -2.79 0.00 0.00 178.44 175.51 3hwi h ALA 13 N 1.29 -0.09 -0.70 2.65 0.00 -0.81 -1.28 119.26 120.32 3hwi h ALA 13 Ca 0.15 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3hwi h ALA 13 Cb 0.21 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3hwi h ALA 13 CO -0.28 -0.56 0.46 1.49 0.00 0.00 0.00 179.25 180.36 3hwi h GLU 14 N -0.11 0.55 0.00 0.00 4.81 -0.71 -1.33 114.58 117.79 3hwi h GLU 14 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hwi h GLU 14 Cb 0.12 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hwi h GLU 14 CO -0.03 0.36 0.00 0.77 -0.73 0.00 0.00 179.01 179.38 3hwi h SER 15 N 0.57 0.00 0.00 1.04 0.02 -0.35 -3.33 113.55 111.50 3hwi h SER 15 Ca 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3hwi h SER 15 Cb 0.51 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 3hwi h SER 15 CO -0.11 0.00 -0.36 0.59 -1.14 0.00 0.00 176.83 175.81 3hwi n ASN 16 N -2.89 1.79 -0.30 3.07 3.02 -0.55 -4.75 115.26 114.66 3hwi n ASN 16 Ca 0.03 -3.36 0.11 0.00 -0.03 0.00 0.00 54.58 51.33 3hwi n ASN 16 Cb 0.40 -0.46 0.28 0.00 -0.61 0.00 0.00 39.78 39.39 3hwi n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hwi h LEU 17 N 0.58 0.39 -3.27 3.41 3.38 -1.55 -2.61 115.31 115.65 3hwi h LEU 17 Ca -0.02 0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3hwi h LEU 17 Cb 1.09 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 3hwi h LEU 17 CO 0.01 0.07 -0.52 1.41 0.09 0.00 0.00 178.44 179.50 3hwi n HIS 18 N -4.99 0.94 -2.66 1.13 8.25 -1.26 -4.94 115.22 111.69 3hwi n HIS 18 Ca 0.20 -1.74 -0.35 0.00 -0.26 0.00 0.00 57.72 55.57 3hwi n HIS 18 Cb 0.58 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 3hwi n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hwi s ALA 19 N -3.35 3.05 0.17 -1.41 0.00 -0.98 -4.99 121.76 114.24 3hwi s ALA 19 Ca 0.43 0.57 -0.33 0.00 0.00 0.00 0.00 51.96 52.63 3hwi s ALA 19 Cb 0.39 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 20.15 3hwi s ALA 19 CO -0.03 -0.08 1.57 -2.30 0.00 0.00 0.00 175.76 174.92 3hwi n PRO 20 N -0.30 2.18 -3.15 0.00 -0.02 -1.26 -2.86 135.00 129.58 3hwi n PRO 20 Ca 0.06 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3hwi n PRO 20 Cb 0.51 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3hwi n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hwi n LYS 21 N 3.31 -4.49 -4.71 -0.52 5.02 -1.26 -4.95 118.16 110.55 3hwi n LYS 21 Ca 0.16 0.76 -0.29 0.00 -2.02 0.00 0.00 58.31 56.92 3hwi n LYS 21 Cb 0.29 -5.58 -0.17 0.00 -0.02 0.00 0.00 35.03 29.56 3hwi n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwi s VAL 22 N -3.10 1.65 -0.07 -0.18 1.01 -1.14 -0.17 120.40 118.39 3hwi s VAL 22 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3hwi s VAL 22 Cb -0.16 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3hwi s VAL 22 CO 0.43 0.47 -0.06 0.54 0.00 0.00 0.00 175.10 176.48 3hwi s VAL 23 N 0.73 0.74 -0.00 2.92 0.11 -0.32 -4.77 120.40 119.80 3hwi s VAL 23 Ca -0.11 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.55 3hwi s VAL 23 Cb -0.16 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3hwi s VAL 23 CO 0.02 0.29 0.59 -0.36 -3.33 0.00 0.00 175.10 172.31 3hwi s PHE 24 N 1.28 3.69 -0.10 1.54 0.40 -1.26 -0.63 117.98 122.89 3hwi s PHE 24 Ca -0.05 1.19 -0.00 0.00 -0.60 0.00 0.00 56.93 57.47 3hwi s PHE 24 Cb -0.14 -2.59 0.02 0.00 0.51 0.00 0.00 43.02 40.82 3hwi s PHE 24 CO -0.02 0.37 -0.06 0.08 0.70 0.00 0.00 175.22 176.28 3hwi s VAL 25 N -0.24 0.90 -0.13 -0.44 1.01 0.57 -1.44 120.40 120.61 3hwi s VAL 25 Ca 0.31 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 3hwi s VAL 25 Cb -0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hwi s VAL 25 CO 0.17 0.34 0.44 -0.70 0.00 0.00 0.00 175.10 175.35 3hwi s GLU 26 N 1.70 4.31 -0.16 2.72 2.12 0.77 -2.12 118.70 128.05 3hwi s GLU 26 Ca 0.04 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3hwi s GLU 26 Cb -0.13 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.85 3hwi s GLU 26 CO -0.07 0.15 -0.10 0.08 -0.54 0.00 0.00 175.26 174.77 3hwi s VAL 27 N 0.68 1.39 0.29 3.70 1.01 -0.19 -1.82 120.40 125.45 3hwi s VAL 27 Ca 0.24 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3hwi s VAL 27 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3hwi s VAL 27 CO 0.09 0.31 0.26 -0.62 0.00 0.00 0.00 175.10 175.14 3hwi s ASP 28 N 1.54 1.03 0.25 3.32 -1.08 -1.25 -3.70 116.67 116.79 3hwi s ASP 28 Ca 0.03 -1.58 -0.03 0.00 -0.52 0.00 0.00 52.55 50.45 3hwi s ASP 28 Cb -0.14 0.51 0.42 0.00 -1.46 0.00 0.00 42.92 42.26 3hwi s ASP 28 CO -0.09 -1.02 1.81 1.05 0.52 0.00 0.00 175.17 177.44 3hwi h GLU 29 N 2.29 0.79 -5.25 4.34 4.11 -1.95 -2.38 114.58 116.53 3hwi h GLU 29 Ca -0.29 -0.05 -0.53 0.00 0.07 0.00 0.00 59.36 58.57 3hwi h GLU 29 Cb 1.24 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 3hwi h GLU 29 CO 0.42 0.52 -0.58 0.16 0.07 0.00 0.00 179.01 179.60 3hwi s ASP 30 N -5.61 2.81 0.00 3.06 3.84 -1.26 -4.02 116.67 115.49 3hwi s ASP 30 Ca -0.12 -1.46 0.22 0.00 -0.00 0.00 0.00 52.55 51.19 3hwi s ASP 30 Cb 0.20 0.03 0.54 0.00 -1.38 0.00 0.00 42.92 42.32 3hwi s ASP 30 CO 0.78 -0.67 1.45 0.35 -0.00 0.00 0.00 175.17 177.09 3hwi n THR 31 N -0.82 0.39 -0.28 2.11 -2.24 -1.26 -4.58 114.28 107.60 3hwi n THR 31 Ca -0.05 -0.58 -0.06 0.00 -2.27 0.00 0.00 64.05 61.10 3hwi n THR 31 Cb 0.66 0.72 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3hwi n THR 31 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hwi h SER 32 N 3.51 0.99 -0.76 3.42 4.64 -1.98 0.49 113.55 123.87 3hwi h SER 32 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hwi h SER 32 Cb 0.77 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 3hwi h SER 32 CO 0.00 0.84 0.49 0.00 -0.87 0.00 0.00 176.83 177.29 3hwi h ALA 33 N 1.19 0.96 -0.36 5.18 0.00 -1.92 -1.73 119.26 122.57 3hwi h ALA 33 Ca 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hwi h ALA 33 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hwi h ALA 33 CO -0.03 0.40 -0.01 -0.92 0.00 0.00 0.00 179.25 178.68 3hwi h TYR 34 N 1.03 0.71 -0.81 0.00 3.20 -1.32 -2.12 116.97 117.65 3hwi h TYR 34 Ca 0.28 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3hwi h TYR 34 Cb -0.09 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 37.94 3hwi h TYR 34 CO -0.02 0.75 0.50 -0.44 -1.64 0.00 0.00 178.16 177.31 3hwi h ASP 35 N 0.46 0.79 0.00 -2.11 3.32 0.07 -2.87 116.42 116.07 3hwi h ASP 35 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hwi h ASP 35 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3hwi h ASP 35 CO 0.02 0.52 0.00 0.54 -1.72 0.00 0.00 179.24 178.60 3hwi n ARG 36 N -4.64 0.00 -3.95 3.56 3.00 -0.66 -4.97 116.66 108.99 3hwi n ARG 36 Ca 0.11 0.61 -0.09 0.00 -0.01 0.00 0.00 57.85 58.47 3hwi n ARG 36 Cb 0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 3hwi n ARG 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3hwi s ASP 37 N -2.25 0.01 0.10 0.55 1.47 -0.81 -4.61 116.67 111.14 3hwi s ASP 37 Ca 0.00 -0.96 -0.26 0.00 1.18 0.00 0.00 52.55 52.51 3hwi s ASP 37 Cb 0.00 0.67 0.08 0.00 -0.34 0.00 0.00 42.92 43.33 3hwi s ASP 37 CO 0.00 -1.28 1.08 -1.38 0.68 0.00 0.00 175.17 174.27 3hwi s HIS 38 N -3.64 -0.06 0.27 2.11 -3.43 -0.26 -3.87 115.29 106.40 3hwi s HIS 38 Ca 0.20 -0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 53.97 3hwi s HIS 38 Cb -0.02 0.62 -0.10 0.00 -1.43 0.00 0.00 32.58 31.65 3hwi s HIS 38 CO 0.10 -0.66 1.35 0.42 -2.00 0.00 0.00 174.74 173.95 3hwi s ILE 39 N -2.79 2.85 0.05 -5.38 1.01 -1.26 0.77 121.20 116.45 3hwi s ILE 39 Ca 0.15 0.76 -0.36 0.00 0.00 0.00 0.00 60.65 61.21 3hwi s ILE 39 Cb 0.00 -3.49 -0.15 0.00 0.01 0.00 0.00 42.46 38.84 3hwi s ILE 39 CO 0.01 0.14 1.53 0.00 0.00 0.00 0.00 174.94 176.63 3hwi n ALA 40 N 1.81 0.19 -0.85 9.38 0.00 -1.26 -1.32 120.51 128.45 3hwi n ALA 40 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3hwi n ALA 40 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3hwi n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwi n GLY 41 N 3.25 0.91 3.81 0.00 0.00 -1.26 -4.97 105.19 106.92 3hwi n GLY 41 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3hwi n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 42 N -3.39 2.87 0.24 4.61 0.00 -0.43 -4.68 121.76 120.97 3hwi s ALA 42 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3hwi s ALA 42 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3hwi s ALA 42 CO 0.00 -0.42 0.16 0.44 0.00 0.00 0.00 175.76 175.94 3hwi n ILE 43 N -1.33 0.00 -4.07 0.00 -5.35 -0.52 -4.78 119.36 103.30 3hwi n ILE 43 Ca 0.09 -0.97 -0.13 0.00 -0.27 0.00 0.00 62.75 61.46 3hwi n ILE 43 Cb 0.53 -0.24 -0.12 0.00 -1.74 0.00 0.00 39.64 38.06 3hwi n ILE 43 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3hwi s LYS 44 N -2.97 0.45 -0.04 6.28 -2.85 -1.26 -0.16 119.74 119.19 3hwi s LYS 44 Ca 0.12 -0.55 0.02 0.00 -1.00 0.00 0.00 55.97 54.57 3hwi s LYS 44 Cb -0.01 -0.27 0.01 0.00 -2.06 0.00 0.00 37.83 35.49 3hwi s LYS 44 CO 0.08 0.06 -0.10 -0.51 0.10 0.00 0.00 175.35 174.97 3hwi s LEU 45 N -1.08 1.68 -0.40 2.77 1.43 -0.76 -4.91 118.68 117.41 3hwi s LEU 45 Ca -0.07 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 3hwi s LEU 45 Cb -0.07 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.49 3hwi s LEU 45 CO 0.00 0.05 0.66 -0.62 0.23 0.00 0.00 176.35 176.66 3hwi s ASP 46 N 0.43 6.38 0.26 2.29 -1.08 -1.26 -3.76 116.67 119.92 3hwi s ASP 46 Ca -0.08 -0.10 -0.03 0.00 -0.52 0.00 0.00 52.55 51.82 3hwi s ASP 46 Cb -0.12 -2.33 0.42 0.00 -1.46 0.00 0.00 42.92 39.43 3hwi s ASP 46 CO 0.02 -0.71 1.83 -0.25 0.52 0.00 0.00 175.17 176.58 3hwi h TRP 47 N 8.71 1.00 0.22 -5.34 7.01 -1.63 0.24 115.95 126.15 3hwi h TRP 47 Ca -0.26 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.76 3hwi h TRP 47 Cb 1.10 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 3hwi h TRP 47 CO 0.75 0.44 -0.10 0.00 -2.79 0.00 0.00 178.44 176.73 3hwi h ARG 48 N 0.93 -0.28 0.00 2.65 2.47 -1.81 -3.12 114.38 115.22 3hwi h ARG 48 Ca 0.42 0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.96 3hwi h ARG 48 Cb 0.33 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 3hwi h ARG 48 CO -0.23 0.10 -1.68 0.25 0.56 0.00 0.00 179.97 178.98 3hwi n THR 49 N -4.99 1.17 0.08 2.04 -2.24 -1.20 -3.81 114.28 105.33 3hwi n THR 49 Ca -0.08 -0.72 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 3hwi n THR 49 Cb 0.26 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.68 3hwi n THR 49 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwi h ASP 50 N 0.00 0.61 0.00 3.42 3.32 -0.73 -3.42 116.42 119.62 3hwi h ASP 50 Ca -0.23 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 55.90 3hwi h ASP 50 Cb 1.71 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3hwi h ASP 50 CO 0.04 1.68 -1.70 0.18 -1.72 0.00 0.00 179.24 177.72 3hwi n LEU 51 N -3.77 0.28 -4.91 1.55 4.77 -1.09 -4.82 117.00 109.01 3hwi n LEU 51 Ca -0.21 -0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.30 3hwi n LEU 51 Cb 1.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.06 3hwi n LEU 51 CO 0.51 0.07 -0.15 -1.10 -1.33 0.00 0.00 177.39 175.39 3hwi s GLN 52 N -3.35 3.44 0.38 3.23 -1.52 -1.21 -1.11 119.66 119.52 3hwi s GLN 52 Ca -0.03 -0.34 -0.28 0.00 -1.95 0.00 0.00 55.36 52.76 3hwi s GLN 52 Cb 0.14 -3.08 -0.11 0.00 -0.22 0.00 0.00 33.01 29.74 3hwi s GLN 52 CO 0.89 0.66 1.46 -3.47 -0.25 0.00 0.00 175.29 174.57 3hwi n ASP 53 N 0.81 3.61 0.14 5.90 -0.08 -0.64 -4.63 116.55 121.66 3hwi n ASP 53 Ca -0.10 1.21 0.13 0.00 -1.51 0.00 0.00 54.79 54.53 3hwi n ASP 53 Cb 0.52 -1.60 0.44 0.00 2.34 0.00 0.00 41.12 42.82 3hwi n ASP 53 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hwi h PRO 54 N 2.82 0.00 0.00 -0.67 0.13 -1.92 -3.41 132.00 128.96 3hwi h PRO 54 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hwi h PRO 54 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hwi h PRO 54 CO 0.63 0.00 -0.31 0.28 -0.23 0.00 0.00 178.00 178.37 3hwi n VAL 55 N -2.41 0.59 -2.30 1.56 0.31 -1.26 -5.07 118.33 109.75 3hwi n VAL 55 Ca 0.04 0.20 -0.33 0.00 -0.01 0.00 0.00 64.34 64.23 3hwi n VAL 55 Cb 0.35 -1.34 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 3hwi n VAL 55 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hwi s LYS 56 N -2.00 3.63 -1.09 5.55 3.01 -1.26 -4.96 119.74 122.62 3hwi s LYS 56 Ca 0.00 1.20 -0.22 0.00 -1.01 0.00 0.00 55.97 55.94 3hwi s LYS 56 Cb 0.00 -2.08 0.04 0.00 -1.01 0.00 0.00 37.83 34.79 3hwi s LYS 56 CO 0.00 -0.56 1.57 0.50 0.51 0.00 0.00 175.35 177.38 3hwi s ARG 57 N -3.77 3.58 0.32 1.68 3.52 -1.26 -4.44 118.95 118.58 3hwi s ARG 57 Ca 0.64 -1.28 -0.13 0.00 -0.13 0.00 0.00 55.73 54.83 3hwi s ARG 57 Cb -0.15 -5.38 0.05 0.00 -1.56 0.00 0.00 34.95 27.92 3hwi s ARG 57 CO 0.29 -2.36 0.68 -3.47 -0.81 0.00 0.00 175.30 169.64 3hwi n ASP 58 N 9.30 -1.92 -4.71 -2.12 4.64 -1.26 -5.06 116.55 115.41 3hwi n ASP 58 Ca 0.38 -2.31 -0.25 0.00 -1.38 0.00 0.00 54.79 51.23 3hwi n ASP 58 Cb 0.49 3.20 -0.08 0.00 -1.04 0.00 0.00 41.12 43.69 3hwi n ASP 58 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3hwi s PHE 59 N -3.18 2.61 0.67 -0.67 -0.12 -1.26 -1.62 117.98 114.41 3hwi s PHE 59 Ca 0.14 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.31 3hwi s PHE 59 Cb -0.04 -1.83 -0.00 0.00 -0.63 0.00 0.00 43.02 40.52 3hwi s PHE 59 CO 0.10 0.27 1.21 1.33 -0.05 0.00 0.00 175.22 178.07 3hwi n VAL 60 N -1.16 4.22 -1.83 -2.49 0.24 -0.27 -4.48 118.33 112.55 3hwi n VAL 60 Ca -0.02 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 3hwi n VAL 60 Cb 0.64 -1.37 0.08 0.00 -1.47 0.00 0.00 33.84 31.72 3hwi n VAL 60 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hwi n ASP 61 N -1.94 0.29 -0.09 -1.34 5.68 -1.26 -4.76 116.55 113.12 3hwi n ASP 61 Ca 0.15 -1.36 -0.07 0.00 -0.50 0.00 0.00 54.79 53.01 3hwi n ASP 61 Cb 0.48 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 3hwi n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hwi h ALA 62 N -1.37 -0.12 -0.21 2.12 0.00 -1.95 0.51 119.26 118.24 3hwi h ALA 62 Ca -0.19 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3hwi h ALA 62 Cb 0.59 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hwi h ALA 62 CO 0.16 -0.68 -0.44 0.37 0.00 0.00 0.00 179.25 178.66 3hwi h GLN 63 N -0.24 0.51 -0.08 0.00 5.75 -1.94 0.44 115.11 119.55 3hwi h GLN 63 Ca 0.17 -0.27 -0.14 0.00 -0.15 0.00 0.00 58.65 58.26 3hwi h GLN 63 Cb 0.50 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3hwi h GLN 63 CO -0.48 0.85 -0.55 1.96 -2.65 0.00 0.00 178.83 177.96 3hwi h GLN 64 N 0.41 0.25 -0.22 1.69 4.20 -1.86 -2.00 115.11 117.58 3hwi h GLN 64 Ca 0.03 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 3hwi h GLN 64 Cb 0.94 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 3hwi h GLN 64 CO 0.08 0.74 -0.32 0.35 -0.67 0.00 0.00 178.83 179.01 3hwi h PHE 65 N 0.19 0.75 -0.07 2.96 3.57 -0.61 -1.33 116.94 122.39 3hwi h PHE 65 Ca 0.00 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.28 3hwi h PHE 65 Cb 1.03 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3hwi h PHE 65 CO 0.02 0.98 -0.07 0.77 -2.23 0.00 0.00 178.31 177.78 3hwi h SER 66 N 0.30 -0.22 -0.35 0.41 0.02 -0.84 -1.81 113.55 111.06 3hwi h SER 66 Ca 0.02 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3hwi h SER 66 Cb 0.90 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 3hwi h SER 66 CO 0.07 -0.10 0.04 0.50 -1.14 0.00 0.00 176.83 176.21 3hwi h LYS 67 N -0.09 0.15 0.07 3.45 3.64 -1.39 -0.73 116.57 121.67 3hwi h LYS 67 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hwi h LYS 67 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3hwi h LYS 67 CO -0.12 0.10 -0.17 1.25 -2.27 0.00 0.00 179.45 178.23 3hwi h LEU 68 N 0.15 -0.49 -0.70 5.20 5.85 -0.96 -1.60 115.31 122.76 3hwi h LEU 68 Ca 0.17 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3hwi h LEU 68 Cb 0.21 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3hwi h LEU 68 CO -0.24 -0.25 0.14 -0.07 -0.34 0.00 0.00 178.44 177.68 3hwi h LEU 69 N -0.32 1.08 -0.47 2.25 4.07 -1.21 -1.35 115.31 119.36 3hwi h LEU 69 Ca 0.03 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 57.80 3hwi h LEU 69 Cb 0.35 -0.29 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3hwi h LEU 69 CO -0.11 1.05 0.19 0.28 -1.08 0.00 0.00 178.44 178.77 3hwi h SER 70 N 1.07 0.24 0.71 -0.43 0.02 -1.08 0.13 113.55 114.21 3hwi h SER 70 Ca 0.22 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3hwi h SER 70 Cb 0.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3hwi h SER 70 CO 0.01 0.17 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.22 3hwi h GLU 71 N 0.39 0.00 -0.01 3.45 5.08 -0.77 -0.05 114.58 122.66 3hwi h GLU 71 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hwi h GLU 71 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hwi h GLU 71 CO -0.20 0.32 -0.14 0.54 -1.00 0.00 0.00 179.01 178.54 3hwi n ARG 72 N -3.61 1.33 -2.18 2.33 5.12 -0.56 -4.71 116.66 114.38 3hwi n ARG 72 Ca -0.01 -0.82 -0.03 0.00 -1.93 0.00 0.00 57.85 55.06 3hwi n ARG 72 Cb 0.44 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3hwi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwi n GLY 73 N 1.27 0.38 3.79 -0.13 0.00 -0.44 -4.61 105.19 105.45 3hwi n GLY 73 Ca 0.15 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3hwi n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwi s ILE 74 N -2.34 5.40 0.22 -0.61 1.01 0.34 -4.76 121.20 120.46 3hwi s ILE 74 Ca 0.02 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.92 3hwi s ILE 74 Cb -0.01 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3hwi s ILE 74 CO 0.02 0.52 0.10 0.00 0.00 0.00 0.00 174.94 175.58 3hwi s ALA 75 N -0.26 3.41 0.32 9.38 0.00 -1.26 -4.19 121.76 129.15 3hwi s ALA 75 Ca 0.11 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.70 3hwi s ALA 75 Cb -0.12 -1.13 0.69 0.00 0.00 0.00 0.00 23.12 22.57 3hwi s ALA 75 CO 0.01 0.35 1.85 -0.91 0.00 0.00 0.00 175.76 177.06 3hwi h ASN 76 N 1.99 0.78 0.05 0.00 4.21 -1.94 -2.48 115.58 118.19 3hwi h ASN 76 Ca -0.47 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3hwi h ASN 76 Cb 1.23 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 3hwi h ASN 76 CO 0.61 0.41 -0.07 -0.62 -1.29 0.00 0.00 177.43 176.46 3hwi n GLU 77 N -4.59 1.48 -2.03 0.81 -0.58 -1.26 -4.74 120.64 109.73 3hwi n GLU 77 Ca 0.18 -0.88 -0.38 0.00 -0.42 0.00 0.00 57.16 55.66 3hwi n GLU 77 Cb 0.41 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.82 3hwi n GLU 77 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hwi s ASP 78 N -2.13 5.74 -0.24 1.62 1.01 -0.94 -5.01 116.67 116.73 3hwi s ASP 78 Ca 0.34 2.53 -0.21 0.00 0.71 0.00 0.00 52.55 55.92 3hwi s ASP 78 Cb 0.20 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 3hwi s ASP 78 CO 0.38 -1.23 0.65 -0.89 0.21 0.00 0.00 175.17 174.29 3hwi s THR 79 N -1.43 4.98 -0.17 -1.27 2.01 0.76 -4.49 115.64 116.02 3hwi s THR 79 Ca 0.67 1.18 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 3hwi s THR 79 Cb -0.34 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 3hwi s THR 79 CO 0.41 0.03 0.18 -0.69 -0.69 0.00 0.00 174.62 173.87 3hwi s VAL 80 N 2.42 5.39 -0.25 3.82 1.01 0.45 -1.18 120.40 132.06 3hwi s VAL 80 Ca 0.27 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3hwi s VAL 80 Cb -0.16 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3hwi s VAL 80 CO 0.09 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 3hwi s ILE 81 N 0.04 2.51 -0.14 2.22 -1.09 0.20 -0.92 121.20 124.02 3hwi s ILE 81 Ca 0.12 -1.27 -0.08 0.00 -2.23 0.00 0.00 60.65 57.20 3hwi s ILE 81 Cb -0.12 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3hwi s ILE 81 CO 0.01 0.14 0.13 -0.76 -1.23 0.00 0.00 174.94 173.23 3hwi s LEU 82 N 1.23 4.32 0.04 2.97 1.43 0.17 -0.32 118.68 128.52 3hwi s LEU 82 Ca -0.03 0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 3hwi s LEU 82 Cb -0.18 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.02 3hwi s LEU 82 CO -0.06 0.35 0.47 -0.72 0.23 0.00 0.00 176.35 176.63 3hwi s TYR 83 N -0.68 -0.35 0.12 0.29 -0.85 -0.90 -0.79 117.35 114.18 3hwi s TYR 83 Ca 0.13 0.37 -0.25 0.00 -0.52 0.00 0.00 57.07 56.80 3hwi s TYR 83 Cb -0.12 0.28 0.07 0.00 0.38 0.00 0.00 41.96 42.58 3hwi s TYR 83 CO 0.03 -0.60 0.85 0.20 -1.52 0.00 0.00 175.55 174.51 3hwi s GLY 84 N -1.94 -0.35 0.00 5.49 0.00 -1.26 -1.03 107.32 108.23 3hwi s GLY 84 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3hwi s GLY 84 CO -0.01 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.82 3hwi n GLY 85 N -0.38 0.02 4.20 0.20 0.00 -1.26 -1.65 105.19 106.32 3hwi n GLY 85 Ca -0.08 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3hwi n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwi n ASN 86 N 0.00 0.86 -1.19 1.61 3.02 -1.26 -2.08 115.26 116.22 3hwi n ASN 86 Ca 0.00 -1.20 -0.14 0.00 -0.03 0.00 0.00 54.58 53.21 3hwi n ASN 86 Cb 0.00 -1.49 -0.05 0.00 -0.61 0.00 0.00 39.78 37.64 3hwi n ASN 86 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hwi n ASN 87 N -2.68 -4.58 -0.50 6.41 3.02 -1.26 -2.43 115.26 113.24 3hwi n ASN 87 Ca -0.30 0.26 -0.07 0.00 -0.03 0.00 0.00 54.58 54.44 3hwi n ASN 87 Cb 0.65 -3.42 -0.03 0.00 -0.61 0.00 0.00 39.78 36.38 3hwi n ASN 87 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hwi n ASN 88 N -0.35 -5.77 -0.14 6.41 4.13 -0.88 -4.89 115.26 113.76 3hwi n ASN 88 Ca -0.15 0.16 -0.06 0.00 1.68 0.00 0.00 54.58 56.21 3hwi n ASN 88 Cb 0.50 -3.85 0.03 0.00 -1.54 0.00 0.00 39.78 34.92 3hwi n ASN 88 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 3hwi h TRP 89 N 0.00 0.47 0.00 3.10 6.55 -1.64 -1.10 115.95 123.33 3hwi h TRP 89 Ca -0.13 0.02 -0.12 0.00 0.95 0.00 0.00 58.89 59.61 3hwi h TRP 89 Cb 1.09 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 29.22 3hwi h TRP 89 CO 0.60 0.26 -0.55 0.74 -1.05 0.00 0.00 178.44 178.44 3hwi h PHE 90 N 0.51 0.00 -0.10 0.49 0.04 -1.81 -2.53 116.94 113.54 3hwi h PHE 90 Ca 0.18 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.79 3hwi h PHE 90 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3hwi h PHE 90 CO -0.08 0.55 -0.64 0.00 -0.60 0.00 0.00 178.31 177.54 3hwi h ALA 91 N 1.45 0.71 -0.02 2.45 0.00 -1.56 -1.64 119.26 120.64 3hwi h ALA 91 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 3hwi h ALA 91 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3hwi h ALA 91 CO 0.07 0.74 -0.52 0.00 0.00 0.00 0.00 179.25 179.54 3hwi h ALA 92 N 1.04 1.10 -0.17 0.00 0.00 -1.18 -1.35 119.26 118.70 3hwi h ALA 92 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3hwi h ALA 92 Cb 1.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hwi h ALA 92 CO 0.11 0.66 -0.17 -0.92 0.00 0.00 0.00 179.25 178.92 3hwi h TYR 93 N 0.05 0.50 -0.58 0.00 -0.00 -1.15 -1.40 116.97 114.39 3hwi h TYR 93 Ca -0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.73 58.56 3hwi h TYR 93 Cb 0.94 -0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 37.53 3hwi h TYR 93 CO 0.00 0.79 0.31 0.00 -0.00 0.00 0.00 178.16 179.26 3hwi h ALA 94 N 0.63 1.46 0.12 1.82 0.00 -1.28 0.60 119.26 122.60 3hwi h ALA 94 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hwi h ALA 94 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hwi h ALA 94 CO 0.04 0.45 -0.06 -0.92 0.00 0.00 0.00 179.25 178.76 3hwi h TYR 95 N 0.80 -0.14 -0.52 0.00 3.20 -0.95 0.28 116.97 119.64 3hwi h TYR 95 Ca 0.21 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.17 3hwi h TYR 95 Cb 0.03 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 3hwi h TYR 95 CO 0.01 -0.06 0.07 2.35 -1.64 0.00 0.00 178.16 178.88 3hwi h TRP 96 N -0.19 0.09 -0.54 -3.82 7.01 -0.94 -0.15 115.95 117.42 3hwi h TRP 96 Ca -0.02 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3hwi h TRP 96 Cb 0.15 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 3hwi h TRP 96 CO -0.06 -0.06 0.35 1.88 -2.79 0.00 0.00 178.44 177.76 3hwi h TYR 97 N 0.19 0.66 -0.97 2.65 0.05 0.01 0.46 116.97 120.02 3hwi h TYR 97 Ca 0.27 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.15 3hwi h TYR 97 Cb 0.39 -0.22 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 3hwi h TYR 97 CO -0.27 0.41 0.62 0.74 -1.05 0.00 0.00 178.16 178.61 3hwi h PHE 98 N 0.71 1.13 -0.27 4.88 -1.00 0.45 -1.94 116.94 120.90 3hwi h PHE 98 Ca 0.20 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.87 3hwi h PHE 98 Cb -0.06 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.13 3hwi h PHE 98 CO -0.04 0.53 -0.41 0.87 -1.61 0.00 0.00 178.31 177.65 3hwi h LYS 99 N 1.06 0.76 -0.74 1.51 1.79 -0.41 -0.85 116.57 119.69 3hwi h LYS 99 Ca 0.44 -0.45 0.14 0.00 -2.18 0.00 0.00 60.65 58.60 3hwi h LYS 99 Cb 0.29 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 3hwi h LYS 99 CO -0.21 1.07 0.29 1.25 -1.08 0.00 0.00 179.45 180.77 3hwi h LEU 100 N 0.50 0.27 -1.86 2.94 5.85 -0.52 -0.73 115.31 121.75 3hwi h LEU 100 Ca 0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hwi h LEU 100 Cb 1.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hwi h LEU 100 CO 0.09 0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 177.08 3hwi n TYR 101 N -5.00 0.78 -0.76 1.25 4.01 -0.77 -1.00 117.16 115.67 3hwi n TYR 101 Ca 0.14 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3hwi n TYR 101 Cb 0.40 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3hwi n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hwi n GLY 102 N 0.88 0.57 3.67 2.72 0.00 -0.28 -1.65 105.19 111.10 3hwi n GLY 102 Ca 0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3hwi n GLY 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwi s HIS 103 N -2.00 2.66 -0.14 1.61 5.04 -0.36 -4.90 115.29 117.21 3hwi s HIS 103 Ca 0.00 0.74 -0.25 0.00 -1.54 0.00 0.00 55.06 54.01 3hwi s HIS 103 Cb 0.00 -3.67 -0.25 0.00 0.04 0.00 0.00 32.58 28.70 3hwi s HIS 103 CO 0.00 -2.53 0.64 1.49 -2.34 0.00 0.00 174.74 172.00 3hwi h GLU 104 N 8.30 0.05 -4.10 2.88 4.81 -1.87 -3.41 114.58 121.25 3hwi h GLU 104 Ca -0.35 -0.09 -0.75 0.00 -0.13 0.00 0.00 59.36 58.04 3hwi h GLU 104 Cb 1.16 0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.31 3hwi h GLU 104 CO 0.93 1.04 -0.23 0.15 -0.73 0.00 0.00 179.01 180.18 3hwi s LYS 105 N -2.30 2.93 -0.12 1.92 1.02 -1.26 -4.99 119.74 116.93 3hwi s LYS 105 Ca -0.21 -1.85 -0.19 0.00 0.02 0.00 0.00 55.97 53.75 3hwi s LYS 105 Cb 0.00 -4.20 0.05 0.00 -0.52 0.00 0.00 37.83 33.15 3hwi s LYS 105 CO 0.69 -1.29 0.48 0.54 -0.92 0.00 0.00 175.35 174.85 3hwi s VAL 106 N 1.30 0.01 0.00 3.17 0.11 -1.26 -0.41 120.40 123.33 3hwi s VAL 106 Ca 0.06 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 3hwi s VAL 106 Cb -0.26 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3hwi s VAL 106 CO 0.00 -0.06 0.22 -0.54 -3.33 0.00 0.00 175.10 171.39 3hwi s LYS 107 N -0.33 0.59 0.22 1.54 1.02 -0.10 -4.60 119.74 118.09 3hwi s LYS 107 Ca -0.05 -0.34 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 3hwi s LYS 107 Cb -0.03 0.25 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 3hwi s LYS 107 CO 0.03 -0.16 0.74 -0.51 -0.92 0.00 0.00 175.35 174.53 3hwi s LEU 108 N -1.45 4.36 -0.27 3.17 1.43 -0.32 -0.65 118.68 124.95 3hwi s LEU 108 Ca -0.13 1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.17 3hwi s LEU 108 Cb -0.06 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3hwi s LEU 108 CO 0.02 0.04 0.88 -0.22 0.23 0.00 0.00 176.35 177.31 3hwi s LEU 109 N -1.91 4.06 -0.07 1.79 0.20 0.03 -0.87 118.68 121.91 3hwi s LEU 109 Ca 0.43 0.98 -0.30 0.00 0.69 0.00 0.00 54.13 55.93 3hwi s LEU 109 Cb -0.17 -3.26 -0.05 0.00 -0.43 0.00 0.00 46.19 42.27 3hwi s LEU 109 CO 0.21 -0.62 1.66 -0.62 -0.29 0.00 0.00 176.35 176.69 3hwi s ASP 110 N 1.44 6.63 0.00 3.68 2.15 0.16 -0.65 116.67 130.08 3hwi s ASP 110 Ca 0.37 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.54 3hwi s ASP 110 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3hwi s ASP 110 CO 0.10 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 3hwi n GLY 111 N 4.19 1.85 7.00 2.66 0.00 -1.25 -4.50 105.19 115.14 3hwi n GLY 111 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hwi n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwi n GLY 112 N -2.00 1.53 0.31 -0.02 0.00 0.18 -2.04 105.19 103.15 3hwi n GLY 112 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.54 3hwi n GLY 112 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hwi h ARG 113 N 0.00 0.70 -0.41 1.61 2.43 -1.65 -2.57 114.38 114.49 3hwi h ARG 113 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3hwi h ARG 113 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3hwi h ARG 113 CO 0.00 0.53 0.22 -0.22 -1.51 0.00 0.00 179.97 178.99 3hwi h LYS 114 N 0.71 0.58 -0.10 0.20 3.64 -1.72 -1.08 116.57 118.80 3hwi h LYS 114 Ca 0.18 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.29 3hwi h LYS 114 Cb 0.05 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3hwi h LYS 114 CO -0.03 0.48 -0.75 -0.22 -2.27 0.00 0.00 179.45 176.66 3hwi h LYS 115 N 0.53 0.52 -0.15 1.90 1.63 -1.32 -0.79 116.57 118.89 3hwi h LYS 115 Ca 0.14 -0.43 0.03 0.00 -0.85 0.00 0.00 60.65 59.55 3hwi h LYS 115 Cb 0.07 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3hwi h LYS 115 CO -0.02 1.06 -0.05 2.35 -3.45 0.00 0.00 179.45 179.34 3hwi h TRP 116 N 0.35 -0.10 -0.13 1.91 2.91 -1.12 0.75 115.95 120.52 3hwi h TRP 116 Ca -0.04 0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.85 3hwi h TRP 116 Cb 1.34 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.05 3hwi h TRP 116 CO 0.06 -0.08 -0.55 0.93 -1.03 0.00 0.00 178.44 177.77 3hwi h GLU 117 N -0.01 0.38 -0.51 2.65 5.08 -1.18 -1.06 114.58 119.93 3hwi h GLU 117 Ca 0.07 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3hwi h GLU 117 Cb 0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3hwi h GLU 117 CO -0.16 0.83 0.04 -0.07 -1.00 0.00 0.00 179.01 178.64 3hwi h LEU 118 N 0.29 0.85 -0.81 1.33 3.38 -0.87 -1.97 115.31 117.50 3hwi h LEU 118 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hwi h LEU 118 Cb 1.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hwi h LEU 118 CO 0.09 0.93 0.00 0.47 0.09 0.00 0.00 178.44 180.02 3hwi n ASP 119 N -4.35 0.60 -0.31 -0.43 8.00 0.24 -4.90 116.55 115.39 3hwi n ASP 119 Ca 0.01 0.68 -0.04 0.00 0.71 0.00 0.00 54.79 56.15 3hwi n ASP 119 Cb 0.29 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 40.59 3hwi n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hwi n GLY 120 N -0.31 0.59 3.77 0.44 0.00 -0.74 -5.02 105.19 103.91 3hwi n GLY 120 Ca 0.01 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 3hwi n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwi s ARG 121 N -2.66 3.04 0.57 1.61 0.52 -0.47 -4.96 118.95 116.61 3hwi s ARG 121 Ca 0.00 1.50 -0.20 0.00 -0.52 0.00 0.00 55.73 56.51 3hwi s ARG 121 Cb 0.00 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3hwi s ARG 121 CO 0.00 -1.08 1.25 -1.25 0.02 0.00 0.00 175.30 174.24 3hwi s PRO 122 N -3.71 3.08 0.03 3.54 0.04 -1.26 -4.82 135.00 131.90 3hwi s PRO 122 Ca 0.70 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.75 3hwi s PRO 122 Cb -0.22 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3hwi s PRO 122 CO 0.35 -1.15 -0.16 -0.51 0.04 0.00 0.00 177.00 175.57 3hwi s LEU 123 N -3.80 2.14 -0.12 -3.56 1.43 -1.26 -4.66 118.68 108.85 3hwi s LEU 123 Ca 0.74 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3hwi s LEU 123 Cb -0.34 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3hwi s LEU 123 CO 0.38 0.09 0.01 -0.55 0.23 0.00 0.00 176.35 176.51 3hwi s SER 124 N -0.99 5.22 0.00 2.29 0.15 0.23 -4.82 113.70 115.78 3hwi s SER 124 Ca 0.04 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.02 3hwi s SER 124 Cb -0.08 -1.65 0.61 0.00 -1.71 0.00 0.00 66.02 63.19 3hwi s SER 124 CO 0.01 0.29 1.48 -0.24 1.20 0.00 0.00 173.24 175.98 3hwi n SER 125 N 2.74 1.77 -4.79 5.45 2.88 -1.26 -1.11 113.62 119.30 3hwi n SER 125 Ca -0.18 -1.44 -0.36 0.00 -1.33 0.00 0.00 58.87 55.57 3hwi n SER 125 Cb 0.53 0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 3hwi n SER 125 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3hwi s ASP 126 N -2.22 7.11 0.66 -3.46 1.01 -1.26 -4.95 116.67 113.55 3hwi s ASP 126 Ca 0.29 1.83 -0.16 0.00 0.71 0.00 0.00 52.55 55.22 3hwi s ASP 126 Cb 0.20 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.56 3hwi s ASP 126 CO 0.42 -0.24 1.15 -2.84 0.21 0.00 0.00 175.17 173.87 3hwi s PRO 127 N -2.49 2.67 -0.06 8.23 0.02 -1.26 -4.94 135.00 137.17 3hwi s PRO 127 Ca 0.55 1.57 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3hwi s PRO 127 Cb -0.16 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.46 3hwi s PRO 127 CO 0.21 -1.39 -0.07 0.08 -0.33 0.00 0.00 177.00 175.50 3hwi s VAL 128 N -2.10 0.77 0.01 3.83 1.01 -1.26 -5.00 120.40 117.66 3hwi s VAL 128 Ca 0.71 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3hwi s VAL 128 Cb -0.24 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3hwi s VAL 128 CO 0.40 0.28 -0.14 -0.94 0.00 0.00 0.00 175.10 174.71 3hwi s SER 129 N 0.93 1.60 -0.01 3.32 1.04 -1.26 -4.99 113.70 114.33 3hwi s SER 129 Ca -0.10 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.06 3hwi s SER 129 Cb -0.15 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 3hwi s SER 129 CO 0.01 0.11 -0.22 -0.13 0.98 0.00 0.00 173.24 173.99 3hwi s ARG 130 N -0.65 1.73 0.30 4.02 0.52 -1.26 -5.10 118.95 118.51 3hwi s ARG 130 Ca 0.04 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 3hwi s ARG 130 Cb -0.06 -1.69 -0.10 0.00 0.52 0.00 0.00 34.95 33.61 3hwi s ARG 130 CO 0.00 0.46 1.41 -1.25 0.02 0.00 0.00 175.30 175.95 3hwi s PRO 131 N -0.57 4.26 0.42 3.54 0.05 -1.26 -4.51 135.00 136.93 3hwi s PRO 131 Ca 0.08 2.33 -0.26 0.00 0.05 0.00 0.00 61.00 63.20 3hwi s PRO 131 Cb -0.08 -3.07 -0.09 0.00 0.05 0.00 0.00 34.50 31.30 3hwi s PRO 131 CO -0.01 -0.37 1.40 1.33 0.05 0.00 0.00 177.00 179.40 3hwi n VAL 132 N 1.54 2.53 -4.27 -0.36 0.24 -1.26 -4.27 118.33 112.49 3hwi n VAL 132 Ca 0.04 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.60 3hwi n VAL 132 Cb 0.40 -1.79 -0.03 0.00 -1.47 0.00 0.00 33.84 30.96 3hwi n VAL 132 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hwi n THR 133 N -0.05 0.00 -3.77 3.34 -2.24 -0.06 -4.91 114.28 106.59 3hwi n THR 133 Ca 0.05 -1.85 -0.37 0.00 -2.27 0.00 0.00 64.05 59.61 3hwi n THR 133 Cb 0.40 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.68 3hwi n THR 133 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwi s SER 134 N -3.39 5.26 -0.06 3.42 0.15 -1.26 -4.49 113.70 113.33 3hwi s SER 134 Ca 0.11 -1.82 -0.10 0.00 0.70 0.00 0.00 55.95 54.83 3hwi s SER 134 Cb -0.01 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 3hwi s SER 134 CO 0.07 -0.50 0.27 -0.47 1.20 0.00 0.00 173.24 173.81 3hwi s TYR 135 N 1.21 3.66 -0.20 3.44 5.04 -1.26 -4.70 117.35 124.53 3hwi s TYR 135 Ca 0.05 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.41 3hwi s TYR 135 Cb -0.22 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.04 3hwi s TYR 135 CO -0.03 0.69 -0.01 0.99 -1.34 0.00 0.00 175.55 175.85 3hwi s THR 136 N -1.07 0.96 0.52 4.34 2.01 -1.26 -4.65 115.64 116.49 3hwi s THR 136 Ca 0.20 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 3hwi s THR 136 Cb -0.14 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 3hwi s THR 136 CO 0.09 -0.09 1.06 0.00 -0.69 0.00 0.00 174.62 174.99 3hwi s ALA 137 N 1.67 2.81 0.55 7.40 0.00 -1.26 -5.00 121.76 127.93 3hwi s ALA 137 Ca -0.02 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 3hwi s ALA 137 Cb -0.17 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3hwi s ALA 137 CO -0.07 -0.51 1.00 -1.12 0.00 0.00 0.00 175.76 175.06 3hwi s SER 138 N -2.10 6.49 0.80 0.00 0.01 -0.66 -4.97 113.70 113.27 3hwi s SER 138 Ca 0.68 1.51 -0.13 0.00 1.31 0.00 0.00 55.95 59.32 3hwi s SER 138 Cb -0.18 -2.49 0.08 0.00 0.21 0.00 0.00 66.02 63.64 3hwi s SER 138 CO 0.25 -0.68 1.18 -2.16 0.41 0.00 0.00 173.24 172.23 3hwi s PRO 139 N -4.45 1.71 0.31 12.44 0.04 -1.26 -4.61 135.00 139.18 3hwi s PRO 139 Ca 0.57 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 3hwi s PRO 139 Cb -0.10 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 3hwi s PRO 139 CO 0.39 -2.13 1.56 -1.25 0.04 0.00 0.00 177.00 175.61 3hwi s PRO 140 N -4.27 4.13 -0.86 0.56 0.04 -1.26 -4.78 135.00 128.56 3hwi s PRO 140 Ca 0.70 2.56 -0.18 0.00 0.04 0.00 0.00 61.00 64.13 3hwi s PRO 140 Cb -0.26 -3.01 0.14 0.00 0.04 0.00 0.00 34.50 31.40 3hwi s PRO 140 CO 0.51 -0.60 1.02 0.34 0.04 0.00 0.00 177.00 178.31 3hwi s ASP 141 N 0.33 6.57 0.00 6.66 2.15 -0.17 -4.85 116.67 127.36 3hwi s ASP 141 Ca 0.61 -1.99 0.19 0.00 0.43 0.00 0.00 52.55 51.78 3hwi s ASP 141 Cb -0.47 -2.36 1.15 0.00 -0.30 0.00 0.00 42.92 40.93 3hwi s ASP 141 CO 0.51 -1.03 1.68 0.59 -0.17 0.00 0.00 175.17 176.76 3hwi n ASN 142 N 6.23 0.00 0.00 -0.34 3.02 -1.26 -2.36 115.26 120.55 3hwi n ASN 142 Ca 0.17 -1.23 0.05 0.00 -0.03 0.00 0.00 54.58 53.54 3hwi n ASN 142 Cb 0.48 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.90 3hwi n ASN 142 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hwi n THR 143 N -0.83 1.12 -0.00 3.41 -2.24 -1.26 -3.03 114.28 111.46 3hwi n THR 143 Ca 0.14 0.28 0.04 0.00 -2.27 0.00 0.00 64.05 62.25 3hwi n THR 143 Cb 0.07 -1.09 0.09 0.00 -2.10 0.00 0.00 70.33 67.30 3hwi n THR 143 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3hwi n ILE 144 N -1.45 0.73 -4.59 2.28 -5.35 -0.99 -4.51 119.36 105.47 3hwi n ILE 144 Ca 0.03 -0.86 -0.22 0.00 -0.27 0.00 0.00 62.75 61.43 3hwi n ILE 144 Cb 0.12 0.68 -0.15 0.00 -1.74 0.00 0.00 39.64 38.56 3hwi n ILE 144 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hwi s ARG 145 N -0.91 1.06 -0.03 6.28 3.52 -1.17 -1.19 118.95 126.51 3hwi s ARG 145 Ca 0.15 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 3hwi s ARG 145 Cb 0.08 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 3hwi s ARG 145 CO 0.11 0.28 -0.22 0.00 -0.81 0.00 0.00 175.30 174.66 3hwi s ALA 146 N -0.33 2.32 0.27 6.12 0.00 -0.32 -4.81 121.76 125.01 3hwi s ALA 146 Ca 0.05 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.99 3hwi s ALA 146 Cb -0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3hwi s ALA 146 CO -0.00 0.54 0.29 -0.06 0.00 0.00 0.00 175.76 176.52 3hwi s PHE 147 N -0.66 3.19 0.27 0.00 0.08 -1.26 -3.93 117.98 115.66 3hwi s PHE 147 Ca 0.11 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 3hwi s PHE 147 Cb -0.10 -1.57 0.48 0.00 -0.57 0.00 0.00 43.02 41.26 3hwi s PHE 147 CO -0.00 0.40 1.59 0.07 -0.10 0.00 0.00 175.22 177.17 3hwi h ARG 148 N 1.30 0.02 -0.30 0.44 0.11 -1.99 -2.38 114.38 111.58 3hwi h ARG 148 Ca -0.49 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 3hwi h ARG 148 Cb 1.24 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 3hwi h ARG 148 CO 0.60 0.02 0.17 -0.44 0.10 0.00 0.00 179.97 180.41 3hwi h ASP 149 N 0.02 0.37 0.51 0.08 3.32 -2.00 -1.34 116.42 117.38 3hwi h ASP 149 Ca 0.46 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 3hwi h ASP 149 Cb 0.79 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3hwi h ASP 149 CO -0.86 0.33 -0.23 1.05 -1.72 0.00 0.00 179.24 177.81 3hwi h GLU 150 N 0.37 0.00 -0.15 3.56 4.11 -1.88 -1.89 114.58 118.71 3hwi h GLU 150 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 3hwi h GLU 150 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3hwi h GLU 150 CO -0.02 0.23 -0.09 0.28 0.07 0.00 0.00 179.01 179.48 3hwi h VAL 151 N 0.00 1.33 -0.79 -1.06 2.07 -0.89 -0.26 116.25 116.64 3hwi h VAL 151 Ca -0.00 -1.17 0.09 0.00 0.82 0.00 0.00 66.70 66.43 3hwi h VAL 151 Cb 0.55 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 3hwi h VAL 151 CO 0.03 0.34 0.44 -0.07 0.02 0.00 0.00 177.57 178.33 3hwi h LEU 152 N -0.02 0.62 -0.33 2.57 3.38 -1.13 -2.04 115.31 118.37 3hwi h LEU 152 Ca 0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hwi h LEU 152 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hwi h LEU 152 CO 0.03 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3hwi n ALA 153 N -2.38 1.99 1.23 1.53 0.00 -0.72 -3.32 120.51 118.84 3hwi n ALA 153 Ca 0.13 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.72 3hwi n ALA 153 Cb 0.27 -1.43 0.40 0.00 0.00 0.00 0.00 19.45 18.69 3hwi n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwi n ALA 154 N -1.77 3.08 -1.68 0.00 0.00 -0.14 -4.73 120.51 115.27 3hwi n ALA 154 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 3hwi n ALA 154 Cb 0.33 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3hwi n ALA 154 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hwi n ILE 155 N -0.81 0.49 -0.82 0.00 5.41 -1.21 -0.91 119.36 121.51 3hwi n ILE 155 Ca 0.12 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3hwi n ILE 155 Cb 0.34 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.16 3hwi n ILE 155 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hwi n ASN 156 N 6.19 -1.92 -0.09 4.38 3.02 -1.26 -4.77 115.26 120.81 3hwi n ASN 156 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.59 3hwi n ASN 156 Cb 0.37 -1.85 -0.08 0.00 -0.61 0.00 0.00 39.78 37.61 3hwi n ASN 156 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hwi n VAL 157 N -2.15 1.02 -4.43 2.41 0.31 -0.16 -5.05 118.33 110.27 3hwi n VAL 157 Ca 0.00 -0.34 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 3hwi n VAL 157 Cb 0.12 -1.35 -0.09 0.00 -0.91 0.00 0.00 33.84 31.60 3hwi n VAL 157 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hwi s LYS 158 N -2.35 1.80 0.35 5.55 1.02 -0.09 -4.65 119.74 121.38 3hwi s LYS 158 Ca -0.25 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 53.78 3hwi s LYS 158 Cb 0.08 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 35.42 3hwi s LYS 158 CO 0.38 0.34 1.40 -0.80 -0.92 0.00 0.00 175.35 175.75 3hwi s ASN 159 N -3.50 6.56 -0.21 2.83 0.01 0.00 -4.82 114.94 115.82 3hwi s ASN 159 Ca 0.30 2.86 -0.00 0.00 -0.71 0.00 0.00 52.86 55.30 3hwi s ASN 159 Cb -0.05 -2.66 0.05 0.00 0.41 0.00 0.00 41.25 39.00 3hwi s ASN 159 CO 0.16 -0.70 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.24 3hwi s LEU 160 N -1.82 2.08 -0.44 0.60 1.43 -1.26 -0.65 118.68 118.64 3hwi s LEU 160 Ca 0.52 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 3hwi s LEU 160 Cb -0.43 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 44.82 3hwi s LEU 160 CO 0.57 -0.23 0.33 -0.63 0.23 0.00 0.00 176.35 176.62 3hwi s ILE 161 N 1.53 5.05 -0.29 -0.59 -1.09 0.41 -1.10 121.20 125.12 3hwi s ILE 161 Ca -0.03 -0.95 -0.23 0.00 -2.23 0.00 0.00 60.65 57.21 3hwi s ILE 161 Cb -0.17 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3hwi s ILE 161 CO -0.07 -0.45 0.76 -0.62 -1.23 0.00 0.00 174.94 173.33 3hwi s ASP 162 N 2.13 6.66 -0.02 3.58 -1.08 0.36 -0.97 116.67 127.32 3hwi s ASP 162 Ca 0.04 0.69 0.19 0.00 -0.52 0.00 0.00 52.55 52.95 3hwi s ASP 162 Cb -0.22 -2.39 0.59 0.00 -1.46 0.00 0.00 42.92 39.44 3hwi s ASP 162 CO 0.07 -0.56 1.50 1.33 0.52 0.00 0.00 175.17 178.03 3hwi n VAL 163 N 5.44 1.18 -1.08 1.11 0.24 -0.31 -0.10 118.33 124.82 3hwi n VAL 163 Ca 0.03 -1.06 -0.28 0.00 -2.04 0.00 0.00 64.34 60.99 3hwi n VAL 163 Cb 0.48 0.42 0.24 0.00 -1.47 0.00 0.00 33.84 33.50 3hwi n VAL 163 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hwi n ARG 164 N 1.29 -2.93 -2.19 7.34 1.74 -1.26 -2.09 116.66 118.56 3hwi n ARG 164 Ca 0.22 -1.68 -0.35 0.00 -0.77 0.00 0.00 57.85 55.27 3hwi n ARG 164 Cb 0.64 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3hwi n ARG 164 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hwi s SER 165 N -4.38 5.59 0.34 0.55 1.04 -1.26 -3.97 113.70 111.61 3hwi s SER 165 Ca 0.68 2.24 0.13 0.00 0.48 0.00 0.00 55.95 59.48 3hwi s SER 165 Cb -0.06 -2.59 1.01 0.00 0.10 0.00 0.00 66.02 64.48 3hwi s SER 165 CO 0.52 -1.31 1.70 -0.65 0.98 0.00 0.00 173.24 174.48 3hwi h PRO 166 N 1.14 0.43 0.00 4.02 0.11 -1.98 -1.14 132.00 134.58 3hwi h PRO 166 Ca -0.50 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 3hwi h PRO 166 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hwi h PRO 166 CO 0.56 0.29 -0.54 -0.44 -0.21 0.00 0.00 178.00 177.66 3hwi h ASP 167 N 0.45 0.00 -0.18 -2.05 3.32 -1.95 -1.89 116.42 114.12 3hwi h ASP 167 Ca 0.68 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.67 3hwi h ASP 167 Cb 1.48 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 3hwi h ASP 167 CO -0.51 0.54 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.11 3hwi h GLU 168 N 0.00 0.40 -0.08 3.56 5.08 -1.41 -0.93 114.58 121.20 3hwi h GLU 168 Ca -0.01 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3hwi h GLU 168 Cb 1.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3hwi h GLU 168 CO 0.07 0.72 -0.07 0.35 -1.00 0.00 0.00 179.01 179.07 3hwi h PHE 169 N 0.08 -0.18 0.00 4.33 3.57 -1.10 -2.51 116.94 121.13 3hwi h PHE 169 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hwi h PHE 169 Cb 0.61 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3hwi h PHE 169 CO 0.07 -0.12 -0.12 0.66 -2.23 0.00 0.00 178.31 176.57 3hwi h SER 170 N -0.09 0.00 0.00 0.41 4.64 -1.47 -3.28 113.55 113.76 3hwi h SER 170 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hwi h SER 170 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hwi h SER 170 CO -0.14 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 3hwi n GLY 171 N -0.15 0.54 0.36 -0.77 0.00 -0.95 -0.73 105.19 103.50 3hwi n GLY 171 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3hwi n GLY 171 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hwi h LYS 172 N 4.24 0.62 -4.62 1.61 3.64 -1.69 -3.42 116.57 116.94 3hwi h LYS 172 Ca 0.00 -0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.88 3hwi h LYS 172 Cb 0.00 -0.14 -0.32 0.00 -0.41 0.00 0.00 32.23 31.36 3hwi h LYS 172 CO 0.00 0.41 -0.80 0.42 -2.27 0.00 0.00 179.45 177.21 3hwi s ILE 173 N -5.60 0.94 0.02 2.00 1.01 -0.40 -5.01 121.20 114.17 3hwi s ILE 173 Ca -0.09 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3hwi s ILE 173 Cb 0.21 -0.85 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 3hwi s ILE 173 CO 0.77 0.30 1.18 0.25 0.00 0.00 0.00 174.94 177.44 3hwi h LEU 174 N 6.60 -0.59 -8.08 2.97 5.85 -1.87 -3.36 115.31 116.84 3hwi h LEU 174 Ca -0.33 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3hwi h LEU 174 Cb 1.17 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3hwi h LEU 174 CO 0.48 -0.39 0.18 0.00 -0.34 0.00 0.00 178.44 178.37 3hwi s ALA 175 N -4.48 -0.65 -2.00 1.25 0.00 -1.26 -4.86 121.76 109.76 3hwi s ALA 175 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3hwi s ALA 175 Cb 0.01 0.80 0.19 0.00 0.00 0.00 0.00 23.12 24.12 3hwi s ALA 175 CO 0.30 -0.97 0.53 -2.30 0.00 0.00 0.00 175.76 173.32 3hwi n PRO 176 N -0.51 0.20 0.00 0.00 -0.02 -1.26 -5.13 135.00 128.29 3hwi n PRO 176 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3hwi n PRO 176 Cb 0.60 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3hwi n PRO 176 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hwi n GLN 185 N -0.75 0.00 -3.82 -0.52 -0.06 -1.20 -5.31 117.38 105.72 3hwi n GLN 185 Ca 0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.90 3hwi n GLN 185 Cb 0.01 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.09 3hwi n GLN 185 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3hwi s ARG 186 N -4.65 0.41 0.67 3.69 1.81 0.07 -4.93 118.95 116.02 3hwi s ARG 186 Ca 0.00 -0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 53.94 3hwi s ARG 186 Cb 0.00 0.18 0.08 0.00 -0.45 0.00 0.00 34.95 34.76 3hwi s ARG 186 CO 0.00 -0.09 0.95 -1.25 -0.68 0.00 0.00 175.30 174.23 3hwi s PRO 187 N -0.69 2.08 0.00 3.54 0.04 -1.26 -4.76 135.00 133.96 3hwi s PRO 187 Ca -0.08 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.32 3hwi s PRO 187 Cb -0.04 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3hwi s PRO 187 CO 0.01 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.27 3hwi n GLY 188 N -2.77 0.08 3.46 0.56 0.00 -1.25 -4.89 105.19 100.38 3hwi n GLY 188 Ca 0.10 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 3hwi n GLY 188 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hwi s HIS 189 N 0.00 0.58 0.14 1.61 -3.43 -0.15 -4.63 115.29 109.41 3hwi s HIS 189 Ca 0.00 -0.90 -0.30 0.00 -0.80 0.00 0.00 55.06 53.06 3hwi s HIS 189 Cb 0.00 -0.04 -0.08 0.00 -1.43 0.00 0.00 32.58 31.04 3hwi s HIS 189 CO 0.00 -0.87 1.27 0.42 -2.00 0.00 0.00 174.74 173.56 3hwi s ILE 190 N -4.05 3.52 0.32 -5.38 1.01 -1.26 -1.11 121.20 114.25 3hwi s ILE 190 Ca 0.26 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.80 3hwi s ILE 190 Cb 0.02 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 3hwi s ILE 190 CO 0.09 0.14 1.27 -2.65 0.00 0.00 0.00 174.94 173.79 3hwi n PRO 191 N 3.23 2.01 -0.92 2.79 -0.02 -1.26 -1.15 135.00 139.68 3hwi n PRO 191 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3hwi n PRO 191 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3hwi n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwi n GLY 192 N 1.07 0.90 3.77 -1.23 0.00 -1.26 -4.51 105.19 103.92 3hwi n GLY 192 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3hwi n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 193 N -3.59 2.71 0.05 4.61 0.00 -0.30 -4.60 121.76 120.64 3hwi s ALA 193 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3hwi s ALA 193 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3hwi s ALA 193 CO 0.00 -0.79 -0.06 0.96 0.00 0.00 0.00 175.76 175.87 3hwi s ILE 194 N -1.73 3.68 -0.32 0.00 -4.36 -0.25 -4.96 121.20 113.26 3hwi s ILE 194 Ca 0.72 -0.95 -0.12 0.00 -0.26 0.00 0.00 60.65 60.04 3hwi s ILE 194 Cb -0.25 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 3hwi s ILE 194 CO 0.28 0.25 0.21 0.21 0.24 0.00 0.00 174.94 176.14 3hwi s ASN 195 N -1.85 6.00 -0.40 4.36 3.04 -1.26 -0.49 114.94 124.34 3hwi s ASN 195 Ca 0.20 -0.29 0.01 0.00 0.04 0.00 0.00 52.86 52.83 3hwi s ASN 195 Cb -0.11 -2.12 0.13 0.00 -1.54 0.00 0.00 41.25 37.61 3hwi s ASN 195 CO 0.12 -0.17 0.21 -0.69 -3.04 0.00 0.00 177.10 173.53 3hwi s VAL 196 N 1.73 0.97 0.19 -5.21 1.01 0.86 -4.94 120.40 115.00 3hwi s VAL 196 Ca 0.06 -2.15 -0.32 0.00 0.00 0.00 0.00 61.98 59.57 3hwi s VAL 196 Cb -0.17 -1.69 -0.15 0.00 0.00 0.00 0.00 36.38 34.37 3hwi s VAL 196 CO 0.10 -0.89 1.19 -2.65 0.00 0.00 0.00 175.10 172.85 3hwi n PRO 197 N 3.86 1.29 -0.21 2.72 -0.02 -1.25 -4.23 135.00 137.16 3hwi n PRO 197 Ca 0.08 0.46 0.19 0.00 -2.02 0.00 0.00 63.50 62.21 3hwi n PRO 197 Cb 0.36 -1.97 0.54 0.00 -0.02 0.00 0.00 33.50 32.41 3hwi n PRO 197 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3hwi h TRP 198 N 3.42 0.45 0.00 6.00 5.08 -1.70 -2.28 115.95 126.91 3hwi h TRP 198 Ca -0.43 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.55 3hwi h TRP 198 Cb 1.33 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 3hwi h TRP 198 CO 0.54 0.13 0.00 0.66 -1.28 0.00 0.00 178.44 178.49 3hwi h SER 199 N 0.35 0.00 -0.01 0.11 4.64 -1.88 -2.55 113.55 114.22 3hwi h SER 199 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3hwi h SER 199 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hwi h SER 199 CO -0.14 0.00 0.09 0.03 -0.87 0.00 0.00 176.83 175.94 3hwi h ARG 200 N 0.00 0.00 -0.14 4.77 3.08 -1.76 -2.06 114.38 118.27 3hwi h ARG 200 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hwi h ARG 200 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hwi h ARG 200 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3hwi n ALA 201 N -2.05 2.53 -2.63 0.04 0.00 -0.96 -4.89 120.51 112.55 3hwi n ALA 201 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.70 3hwi n ALA 201 Cb 0.15 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 3hwi n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwi s ALA 202 N -1.82 1.24 0.79 0.00 0.00 -0.78 -0.87 121.76 120.32 3hwi s ALA 202 Ca 0.32 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 3hwi s ALA 202 Cb 0.17 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.02 3hwi s ALA 202 CO 0.26 0.29 1.10 -0.80 0.00 0.00 0.00 175.76 176.61 3hwi s ASN 203 N -0.26 4.56 0.40 0.00 0.01 0.46 -4.87 114.94 115.24 3hwi s ASN 203 Ca 0.04 1.30 0.12 0.00 -0.71 0.00 0.00 52.86 53.60 3hwi s ASN 203 Cb -0.07 -2.04 0.93 0.00 0.41 0.00 0.00 41.25 40.49 3hwi s ASN 203 CO -0.00 -1.92 1.94 -0.33 -1.51 0.00 0.00 177.10 175.27 3hwi h GLU 204 N -1.06 0.52 -0.00 -0.60 5.08 -1.97 -1.50 114.58 115.06 3hwi h GLU 204 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3hwi h GLU 204 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3hwi h GLU 204 CO 0.60 0.35 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 3hwi n ASP 205 N -4.49 0.03 0.00 1.42 5.75 -1.26 -4.89 116.55 113.11 3hwi n ASP 205 Ca 0.13 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 3hwi n ASP 205 Cb 0.40 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3hwi n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwi n GLY 206 N 1.00 2.41 3.79 6.12 0.00 -0.56 -3.12 105.19 114.84 3hwi n GLY 206 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3hwi n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hwi s THR 207 N -2.66 3.64 0.47 2.61 -4.23 -1.26 -3.80 115.64 110.40 3hwi s THR 207 Ca 0.00 0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 60.88 3hwi s THR 207 Cb 0.00 -3.18 -0.07 0.00 1.34 0.00 0.00 72.50 70.59 3hwi s THR 207 CO 0.00 -0.63 1.16 -0.36 -0.54 0.00 0.00 174.62 174.24 3hwi s PHE 208 N -2.81 2.86 0.90 3.99 0.08 -1.26 -0.40 117.98 121.33 3hwi s PHE 208 Ca 0.61 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 59.09 3hwi s PHE 208 Cb -0.16 -3.36 0.13 0.00 -0.57 0.00 0.00 43.02 39.06 3hwi s PHE 208 CO 0.51 -1.48 1.09 0.15 -0.10 0.00 0.00 175.22 175.39 3hwi s LYS 209 N -2.78 1.26 0.90 0.44 1.02 -0.05 -4.70 119.74 115.83 3hwi s LYS 209 Ca 0.65 0.79 -0.11 0.00 0.02 0.00 0.00 55.97 57.32 3hwi s LYS 209 Cb -0.28 -1.81 0.13 0.00 -0.52 0.00 0.00 37.83 35.36 3hwi s LYS 209 CO 0.33 -2.23 1.10 -1.54 -0.92 0.00 0.00 175.35 172.09 3hwi s SER 210 N -3.45 3.26 0.24 2.83 1.04 -1.26 -4.77 113.70 111.59 3hwi s SER 210 Ca 0.63 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.80 3hwi s SER 210 Cb -0.18 -2.40 0.36 0.00 0.10 0.00 0.00 66.02 63.91 3hwi s SER 210 CO 0.57 -2.82 1.84 0.44 0.98 0.00 0.00 173.24 174.25 3hwi h ASP 211 N -1.67 0.80 0.01 7.02 3.32 -1.95 0.77 116.42 124.71 3hwi h ASP 211 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hwi h ASP 211 Cb 1.27 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hwi h ASP 211 CO 0.49 0.50 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.41 3hwi h GLU 212 N 0.93 -0.04 -0.63 3.56 4.81 -1.99 0.15 114.58 121.36 3hwi h GLU 212 Ca 0.39 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3hwi h GLU 212 Cb 0.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3hwi h GLU 212 CO -0.20 -0.03 0.33 0.93 -0.73 0.00 0.00 179.01 179.32 3hwi h GLU 213 N -0.04 0.88 -0.11 1.92 5.08 -1.80 -2.65 114.58 117.86 3hwi h GLU 213 Ca 0.01 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3hwi h GLU 213 Cb 0.05 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3hwi h GLU 213 CO -0.02 0.68 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.22 3hwi h LEU 214 N 0.85 0.53 -0.95 1.33 3.38 -0.54 -1.24 115.31 118.66 3hwi h LEU 214 Ca 0.22 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hwi h LEU 214 Cb 0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3hwi h LEU 214 CO -0.03 1.05 0.62 0.00 0.09 0.00 0.00 178.44 180.17 3hwi h ALA 215 N 0.49 1.21 -0.11 1.53 0.00 -0.71 -1.90 119.26 119.77 3hwi h ALA 215 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hwi h ALA 215 Cb 1.01 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hwi h ALA 215 CO 0.08 0.62 0.03 -0.22 0.00 0.00 0.00 179.25 179.75 3hwi h LYS 216 N 1.30 0.18 -0.52 0.00 3.64 -1.48 -0.90 116.57 118.78 3hwi h LYS 216 Ca 0.35 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 3hwi h LYS 216 Cb -0.13 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.56 3hwi h LYS 216 CO -0.07 0.36 -0.35 1.25 -2.27 0.00 0.00 179.45 178.36 3hwi h LEU 217 N -0.02 -1.21 -0.33 5.20 5.85 -0.84 0.00 115.31 123.95 3hwi h LEU 217 Ca 0.04 0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.78 3hwi h LEU 217 Cb 0.26 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3hwi h LEU 217 CO 0.00 -0.32 -0.82 1.88 -0.34 0.00 0.00 178.44 178.84 3hwi h TYR 218 N -0.21 0.41 0.53 1.25 0.05 -1.29 -2.35 116.97 115.36 3hwi h TYR 218 Ca 0.20 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3hwi h TYR 218 Cb 0.55 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 38.24 3hwi h TYR 218 CO -0.62 0.99 -0.25 0.00 -1.05 0.00 0.00 178.16 177.23 3hwi h ALA 219 N 0.95 -0.71 -0.75 3.88 0.00 -0.95 0.93 119.26 122.61 3hwi h ALA 219 Ca -0.04 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.86 3hwi h ALA 219 Cb 1.42 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 3hwi h ALA 219 CO 0.13 -0.84 0.13 -0.44 0.00 0.00 0.00 179.25 178.23 3hwi h ASP 220 N -0.82 -0.11 0.69 0.00 3.32 -1.03 0.26 116.42 118.72 3hwi h ASP 220 Ca -0.07 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hwi h ASP 220 Cb 0.59 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3hwi h ASP 220 CO 0.12 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3hwi h ALA 221 N 1.66 1.00 0.00 3.45 0.00 -1.32 -3.47 119.26 120.58 3hwi h ALA 221 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hwi h ALA 221 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hwi h ALA 221 CO -0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.09 3hwi n GLY 222 N -0.21 1.56 3.65 0.00 0.00 0.08 -4.84 105.19 105.43 3hwi n GLY 222 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hwi n GLY 222 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwi s LEU 223 N 0.00 4.19 -0.38 0.99 2.96 0.26 -4.95 118.68 121.76 3hwi s LEU 223 Ca 0.00 2.39 -0.23 0.00 -0.22 0.00 0.00 54.13 56.07 3hwi s LEU 223 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.17 3hwi s LEU 223 CO 0.00 -1.23 0.77 -0.62 -1.32 0.00 0.00 176.35 173.95 3hwi s ASP 224 N 5.01 6.52 0.00 3.68 -1.08 -1.26 -4.71 116.67 124.82 3hwi s ASP 224 Ca 0.87 0.27 0.21 0.00 -0.52 0.00 0.00 52.55 53.39 3hwi s ASP 224 Cb -0.38 -2.39 1.19 0.00 -1.46 0.00 0.00 42.92 39.88 3hwi s ASP 224 CO 0.38 -0.75 1.68 0.59 0.52 0.00 0.00 175.17 177.59 3hwi n ASN 225 N 6.43 0.00 -0.08 -0.34 3.02 -1.26 -1.73 115.26 121.30 3hwi n ASN 225 Ca 0.02 -0.35 0.14 0.00 -0.03 0.00 0.00 54.58 54.36 3hwi n ASN 225 Cb 0.48 -0.14 0.51 0.00 -0.61 0.00 0.00 39.78 40.02 3hwi n ASN 225 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hwi n SER 226 N -1.14 0.45 -4.38 6.41 3.41 -1.26 -4.94 113.62 112.17 3hwi n SER 226 Ca 0.13 -0.34 -0.28 0.00 -0.26 0.00 0.00 58.87 58.13 3hwi n SER 226 Cb 0.12 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 3hwi n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hwi s LYS 227 N -2.69 1.39 0.97 4.33 1.02 -0.71 -5.13 119.74 118.92 3hwi s LYS 227 Ca 0.22 -1.37 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 3hwi s LYS 227 Cb 0.19 -1.80 0.17 0.00 -0.52 0.00 0.00 37.83 35.88 3hwi s LYS 227 CO 0.54 0.41 1.18 -1.21 -0.92 0.00 0.00 175.35 175.36 3hwi s GLU 228 N -2.21 0.68 0.03 1.68 2.02 -1.26 -4.72 118.70 114.91 3hwi s GLU 228 Ca 0.15 0.03 0.02 0.00 0.02 0.00 0.00 54.97 55.19 3hwi s GLU 228 Cb -0.09 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 3hwi s GLU 228 CO 0.07 -2.46 -0.08 0.99 0.02 0.00 0.00 175.26 173.80 3hwi s THR 229 N -3.42 0.56 -0.02 3.63 2.01 -0.33 -0.82 115.64 117.25 3hwi s THR 229 Ca 0.67 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3hwi s THR 229 Cb -0.11 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3hwi s THR 229 CO 0.53 -0.22 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.53 3hwi s ILE 230 N -1.02 0.72 0.05 1.82 1.01 0.18 -1.53 121.20 122.44 3hwi s ILE 230 Ca -0.06 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3hwi s ILE 230 Cb -0.08 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 3hwi s ILE 230 CO 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 174.94 175.13 3hwi s ALA 231 N 0.11 3.15 0.07 9.38 0.00 -0.32 -0.45 121.76 133.72 3hwi s ALA 231 Ca -0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 3hwi s ALA 231 Cb -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.91 3hwi s ALA 231 CO 0.00 0.66 0.26 1.52 0.00 0.00 0.00 175.76 178.19 3hwi s TYR 232 N -1.17 0.01 0.00 0.00 -0.85 -0.15 -1.65 117.35 113.54 3hwi s TYR 232 Ca 0.21 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 3hwi s TYR 232 Cb -0.11 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.27 3hwi s TYR 232 CO 0.13 -0.54 0.00 0.00 -1.52 0.00 0.00 175.55 173.62 3hwi n ARG 234 N 0.00 0.59 -0.26 0.00 1.74 -1.26 -1.93 116.66 115.54 3hwi n ARG 234 Ca 0.00 0.42 0.07 0.00 -0.77 0.00 0.00 57.85 57.57 3hwi n ARG 234 Cb 0.00 -1.64 0.11 0.00 -1.02 0.00 0.00 32.46 29.90 3hwi n ARG 234 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3hwi n ILE 235 N -4.24 1.39 -0.86 0.55 -5.35 -1.26 -1.74 119.36 107.86 3hwi n ILE 235 Ca -0.41 -1.75 0.00 0.00 -0.27 0.00 0.00 62.75 60.32 3hwi n ILE 235 Cb 0.80 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3hwi n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hwi n GLY 236 N -1.00 0.54 0.07 3.28 0.00 -1.25 -4.81 105.19 102.02 3hwi n GLY 236 Ca 0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3hwi n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hwi h GLU 237 N 1.05 0.00 0.00 1.61 5.08 -1.92 -2.58 114.58 117.83 3hwi h GLU 237 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hwi h GLU 237 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hwi h GLU 237 CO 0.00 0.79 -0.05 0.00 -1.00 0.00 0.00 179.01 178.75 3hwi h ARG 238 N -1.00 0.00 0.00 2.33 3.08 -1.92 -3.10 114.38 113.77 3hwi h ARG 238 Ca -0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3hwi h ARG 238 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3hwi h ARG 238 CO -0.03 0.00 -0.23 0.66 -1.07 0.00 0.00 179.97 179.31 3hwi h SER 239 N 0.00 0.00 -0.95 7.04 4.64 -1.86 -2.61 113.55 119.82 3hwi h SER 239 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3hwi h SER 239 Cb 0.97 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.00 3hwi h SER 239 CO 0.00 0.23 0.60 0.28 -0.87 0.00 0.00 176.83 177.07 3hwi h SER 240 N 0.00 0.97 -0.16 4.97 0.02 -1.37 0.29 113.55 118.26 3hwi h SER 240 Ca -0.00 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 3hwi h SER 240 Cb 0.91 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.26 3hwi h SER 240 CO 0.03 0.62 -0.53 -0.74 -1.14 0.00 0.00 176.83 175.07 3hwi h HIS 241 N 1.11 0.84 -0.49 3.45 6.17 -1.58 -0.58 115.15 124.07 3hwi h HIS 241 Ca 0.41 -0.34 -0.04 0.00 0.71 0.00 0.00 60.37 61.10 3hwi h HIS 241 Cb 0.15 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 3hwi h HIS 241 CO -0.01 1.13 0.14 1.15 0.71 0.00 0.00 177.93 181.04 3hwi h THR 242 N 0.31 1.23 -0.77 6.26 2.02 -1.18 -2.01 112.91 118.76 3hwi h THR 242 Ca -0.02 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.46 3hwi h THR 242 Cb 1.15 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.32 3hwi h THR 242 CO 0.11 0.29 0.42 -0.25 0.37 0.00 0.00 175.52 176.46 3hwi h TRP 243 N 0.66 0.75 -0.71 3.16 7.01 -0.28 0.95 115.95 127.49 3hwi h TRP 243 Ca 0.15 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3hwi h TRP 243 Cb 0.30 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 3hwi h TRP 243 CO 0.02 0.29 0.42 0.35 -2.79 0.00 0.00 178.44 176.73 3hwi h PHE 244 N 0.70 0.95 -0.37 2.65 3.57 -0.81 0.92 116.94 124.56 3hwi h PHE 244 Ca 0.38 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 3hwi h PHE 244 Cb 0.37 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3hwi h PHE 244 CO -0.08 0.65 0.07 0.28 -2.23 0.00 0.00 178.31 176.99 3hwi h VAL 245 N 0.98 1.24 -0.02 1.41 2.07 -0.39 -0.08 116.25 121.45 3hwi h VAL 245 Ca 0.26 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3hwi h VAL 245 Cb -0.02 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3hwi h VAL 245 CO -0.05 0.28 -0.07 -0.07 0.02 0.00 0.00 177.57 177.68 3hwi h LEU 246 N 0.45 0.09 0.02 2.57 3.38 -0.67 -0.01 115.31 121.14 3hwi h LEU 246 Ca 0.11 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 3hwi h LEU 246 Cb 0.35 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hwi h LEU 246 CO 0.01 0.73 -0.32 -0.09 0.09 0.00 0.00 178.44 178.85 3hwi h ARG 247 N -0.54 0.04 0.08 1.13 2.43 -0.88 -1.83 114.38 114.82 3hwi h ARG 247 Ca -0.00 -0.08 -0.33 0.00 -0.81 0.00 0.00 59.98 58.76 3hwi h ARG 247 Cb 0.72 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3hwi h ARG 247 CO 0.01 1.04 -1.81 0.93 -1.51 0.00 0.00 179.97 178.64 3hwi h GLU 248 N -0.90 0.17 0.00 0.20 4.39 -1.17 -2.70 114.58 114.57 3hwi h GLU 248 Ca -0.08 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.24 3hwi h GLU 248 Cb 1.15 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3hwi h GLU 248 CO -0.01 0.94 -0.69 -0.07 -1.16 0.00 0.00 179.01 178.02 3hwi h LEU 249 N 0.05 0.00 -0.03 1.33 3.38 -1.16 -3.39 115.31 115.48 3hwi h LEU 249 Ca -0.34 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3hwi h LEU 249 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3hwi h LEU 249 CO 0.10 1.05 -0.11 0.18 0.09 0.00 0.00 178.44 179.75 3hwi n LEU 250 N -4.56 0.16 -0.11 1.67 4.77 -0.03 -4.96 117.00 113.94 3hwi n LEU 250 Ca -0.17 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3hwi n LEU 250 Cb 0.43 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3hwi n LEU 250 CO 0.16 0.04 -0.01 0.61 -1.33 0.00 0.00 177.39 176.85 3hwi n GLY 251 N 1.44 0.51 3.71 -0.72 0.00 -1.02 -4.97 105.19 104.13 3hwi n GLY 251 Ca 0.09 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3hwi n GLY 251 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwi s HIS 252 N -1.92 2.88 -0.41 1.61 3.76 -0.70 -4.87 115.29 115.63 3hwi s HIS 252 Ca 0.00 0.51 0.23 0.00 -0.15 0.00 0.00 55.06 55.65 3hwi s HIS 252 Cb 0.00 -3.97 0.29 0.00 1.11 0.00 0.00 32.58 30.01 3hwi s HIS 252 CO 0.00 -3.66 1.48 -0.56 -0.85 0.00 0.00 174.74 171.15 3hwi h GLN 253 N 7.18 0.00 -2.96 1.40 -0.00 -1.89 -3.39 115.11 115.46 3hwi h GLN 253 Ca -0.43 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.61 3hwi h GLN 253 Cb 1.20 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.28 3hwi h GLN 253 CO 0.92 0.00 -0.71 -0.80 -0.00 0.00 0.00 178.83 178.24 3hwi s ASN 254 N -5.89 3.72 -0.06 0.06 0.01 -1.26 -5.07 114.94 106.45 3hwi s ASN 254 Ca 0.05 -3.15 0.02 0.00 -0.71 0.00 0.00 52.86 49.07 3hwi s ASN 254 Cb 0.07 -1.20 0.02 0.00 0.41 0.00 0.00 41.25 40.54 3hwi s ASN 254 CO 0.69 -0.19 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.31 3hwi s VAL 255 N -0.37 0.96 0.06 1.60 1.01 -1.26 -1.19 120.40 121.21 3hwi s VAL 255 Ca 0.23 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3hwi s VAL 255 Cb -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3hwi s VAL 255 CO -0.09 0.32 -0.14 -0.54 0.00 0.00 0.00 175.10 174.65 3hwi s LYS 256 N 0.86 2.14 -0.31 2.72 1.02 -0.58 -4.47 119.74 121.11 3hwi s LYS 256 Ca -0.11 -0.97 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 3hwi s LYS 256 Cb -0.15 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3hwi s LYS 256 CO 0.01 0.54 0.47 1.21 -0.92 0.00 0.00 175.35 176.66 3hwi s ASN 257 N -1.67 6.32 -1.00 2.83 2.47 -0.33 -1.17 114.94 122.38 3hwi s ASN 257 Ca 0.17 0.16 -0.23 0.00 0.42 0.00 0.00 52.86 53.38 3hwi s ASN 257 Cb -0.11 -2.25 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 3hwi s ASN 257 CO 0.08 -0.36 1.42 -0.47 -3.72 0.00 0.00 177.10 174.05 3hwi s TYR 258 N 2.27 2.56 0.29 0.43 5.04 -0.66 -1.17 117.35 126.11 3hwi s TYR 258 Ca 0.18 -0.84 0.04 0.00 -2.44 0.00 0.00 57.07 54.01 3hwi s TYR 258 Cb -0.16 -4.67 0.46 0.00 0.35 0.00 0.00 41.96 37.94 3hwi s TYR 258 CO 0.11 -1.92 1.73 0.38 -1.34 0.00 0.00 175.55 174.52 3hwi h ASP 259 N 9.75 0.39 -0.45 4.32 2.03 -1.87 -2.40 116.42 128.19 3hwi h ASP 259 Ca 0.17 -0.14 0.09 0.00 -0.73 0.00 0.00 57.03 56.43 3hwi h ASP 259 Cb 1.01 -0.11 -0.09 0.00 -0.83 0.00 0.00 39.33 39.32 3hwi h ASP 259 CO 1.40 0.67 -0.14 1.23 -1.03 0.00 0.00 179.24 181.38 3hwi h GLY 260 N 1.04 0.27 0.00 7.15 0.00 -1.87 -3.31 103.07 106.35 3hwi h GLY 260 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hwi h GLY 260 CO 0.05 -0.18 0.00 1.44 0.00 0.00 0.00 176.54 177.85 3hwi n SER 261 N -5.35 -2.05 0.11 0.19 7.64 -0.90 -2.96 113.62 110.30 3hwi n SER 261 Ca 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.88 3hwi n SER 261 Cb 0.26 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.61 3hwi n SER 261 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3hwi h TRP 262 N 0.00 0.15 -0.28 1.43 2.91 -1.04 0.21 115.95 119.32 3hwi h TRP 262 Ca 0.00 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 3hwi h TRP 262 Cb 0.00 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3hwi h TRP 262 CO 0.00 0.70 0.11 1.79 -1.03 0.00 0.00 178.44 180.01 3hwi h THR 263 N 0.08 1.11 0.00 2.65 1.35 -1.45 0.79 112.91 117.45 3hwi h THR 263 Ca -0.01 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 3hwi h THR 263 Cb 1.11 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3hwi h THR 263 CO 0.09 0.13 -0.04 -0.08 -0.25 0.00 0.00 175.52 175.37 3hwi h GLU 264 N 0.38 0.00 -0.35 4.72 4.81 -1.37 -3.35 114.58 119.42 3hwi h GLU 264 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3hwi h GLU 264 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3hwi h GLU 264 CO -0.01 0.41 0.21 -0.92 -0.73 0.00 0.00 179.01 177.97 3hwi h TYR 265 N -1.00 0.39 0.00 0.92 3.20 -0.28 -0.50 116.97 119.70 3hwi h TYR 265 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hwi h TYR 265 Cb 0.43 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3hwi h TYR 265 CO 0.10 0.23 0.00 0.41 -1.64 0.00 0.00 178.16 177.27 3hwi n GLY 266 N -1.20 -0.58 0.00 1.82 0.00 0.27 -2.64 105.19 102.86 3hwi n GLY 266 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3hwi n GLY 266 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hwi n SER 267 N -1.08 0.50 -4.72 1.61 7.64 -0.25 -0.75 113.62 116.57 3hwi n SER 267 Ca 0.11 -0.57 -0.43 0.00 1.01 0.00 0.00 58.87 58.99 3hwi n SER 267 Cb 0.07 1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 64.27 3hwi n SER 267 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hwi n LEU 268 N -1.16 3.98 -4.73 -3.43 4.77 -0.86 -4.64 117.00 110.93 3hwi n LEU 268 Ca 0.01 1.13 -0.41 0.00 -0.03 0.00 0.00 56.01 56.70 3hwi n LEU 268 Cb 0.08 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.58 3hwi n LEU 268 CO 0.10 0.01 0.81 -0.69 -1.33 0.00 0.00 177.39 176.29 3hwi s VAL 269 N 0.25 3.92 -0.16 4.08 1.01 -1.26 -3.77 120.40 124.47 3hwi s VAL 269 Ca 0.68 1.59 0.00 0.00 0.00 0.00 0.00 61.98 64.24 3hwi s VAL 269 Cb -0.54 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3hwi s VAL 269 CO 0.45 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3hwi n GLY 270 N 2.28 0.50 3.73 4.51 0.00 -1.26 -5.01 105.19 109.95 3hwi n GLY 270 Ca 0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3hwi n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 271 N -1.90 3.30 0.37 4.61 0.00 -1.25 -5.00 121.76 121.89 3hwi s ALA 271 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 3hwi s ALA 271 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3hwi s ALA 271 CO 0.00 -0.01 1.41 -2.14 0.00 0.00 0.00 175.76 175.02 3hwi s PRO 272 N 0.11 4.14 0.00 0.00 0.02 -1.26 -5.01 135.00 133.00 3hwi s PRO 272 Ca 0.43 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.87 3hwi s PRO 272 Cb -0.21 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3hwi s PRO 272 CO 0.26 -0.44 -0.03 0.42 -0.33 0.00 0.00 177.00 176.87 3hwi s ILE 273 N -1.15 0.24 0.03 2.83 1.01 -1.26 -4.42 121.20 118.48 3hwi s ILE 273 Ca 0.52 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.99 3hwi s ILE 273 Cb -0.43 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 3hwi s ILE 273 CO 0.58 -0.01 -0.17 -0.70 0.00 0.00 0.00 174.94 174.64 3hwi s GLU 274 N -0.28 1.20 0.36 2.79 2.12 -0.27 -4.84 118.70 119.78 3hwi s GLU 274 Ca -0.01 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.59 3hwi s GLU 274 Cb -0.02 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.09 3hwi s GLU 274 CO -0.00 0.32 0.25 -0.51 -0.54 0.00 0.00 175.26 174.78 3hwi s LEU 275 N -1.02 3.40 0.00 2.70 1.43 -1.26 -0.98 118.68 122.95 3hwi s LEU 275 Ca 0.05 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3hwi s LEU 275 Cb -0.08 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3hwi s LEU 275 CO 0.01 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.78 3hwi n GLY 276 N -1.33 -0.87 0.00 -3.19 0.00 0.09 -5.00 105.19 94.89 3hwi n GLY 276 Ca -0.01 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3hwi n GLY 276 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18