#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiy h ALA 4 N 0.00 0.11 -0.43 3.52 0.00 -1.87 -1.99 119.26 118.60 3hiy h ALA 4 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hiy h ALA 4 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hiy h ALA 4 CO 0.00 -0.17 0.19 -0.22 0.00 0.00 0.00 179.25 179.05 3hiy h LYS 5 N -0.19 0.37 0.00 0.00 3.64 -1.82 0.23 116.57 118.80 3hiy h LYS 5 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hiy h LYS 5 Cb 0.43 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3hiy h LYS 5 CO 0.01 0.24 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.21 3hiy h ARG 6 N 0.38 0.00 0.10 1.90 2.43 -1.93 -1.21 114.38 116.05 3hiy h ARG 6 Ca 0.19 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.07 3hiy h ARG 6 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3hiy h ARG 6 CO -0.17 0.13 -1.46 0.93 -1.51 0.00 0.00 179.97 177.89 3hiy h GLU 7 N 0.00 0.22 0.54 0.20 4.39 -0.56 -2.83 114.58 116.54 3hiy h GLU 7 Ca -0.00 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 3hiy h GLU 7 Cb 0.25 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3hiy h GLU 7 CO 0.02 1.09 -0.26 0.35 -1.16 0.00 0.00 179.01 179.04 3hiy h PHE 8 N 0.06 -0.68 -0.99 4.33 3.57 -0.59 -0.34 116.94 122.29 3hiy h PHE 8 Ca -0.21 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.38 3hiy h PHE 8 Cb 1.99 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 40.88 3hiy h PHE 8 CO 0.05 -0.42 0.63 0.82 -2.23 0.00 0.00 178.31 177.17 3hiy h ILE 9 N -0.74 0.97 0.71 1.41 2.04 -1.36 -2.72 117.51 117.83 3hiy h ILE 9 Ca -0.07 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3hiy h ILE 9 Cb 0.56 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hiy h ILE 9 CO 0.12 0.19 -0.34 -0.09 0.00 0.00 0.00 178.15 178.03 3hiy h ARG 10 N 1.04 -0.93 -5.02 2.37 2.43 -1.22 -3.41 114.38 109.64 3hiy h ARG 10 Ca 0.47 0.06 -0.34 0.00 -0.81 0.00 0.00 59.98 59.36 3hiy h ARG 10 Cb 0.39 0.21 0.09 0.00 -0.42 0.00 0.00 29.97 30.24 3hiy h ARG 10 CO -0.23 -0.61 0.92 0.41 -1.51 0.00 0.00 179.97 178.95 3hiy n GLY 11 N -1.41 0.19 3.55 2.80 0.00 -0.16 -4.65 105.19 105.51 3hiy n GLY 11 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3hiy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hiy n ALA 14 N 10.54 0.00 -0.14 4.61 0.00 -1.26 -4.59 120.51 129.67 3hiy n ALA 14 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 3hiy n ALA 14 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3hiy n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hiy h HIS 15 N 0.00 0.84 -0.13 0.00 2.76 -1.96 -1.13 115.15 115.53 3hiy h HIS 15 Ca 0.00 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 58.02 3hiy h HIS 15 Cb 0.00 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3hiy h HIS 15 CO 0.00 0.86 0.00 -0.92 -1.30 0.00 0.00 177.93 176.57 3hiy h TYR 16 N 0.57 -0.00 -0.02 5.26 3.20 -1.96 -2.47 116.97 121.54 3hiy h TYR 16 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3hiy h TYR 16 Cb 0.57 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hiy h TYR 16 CO 0.05 -0.01 0.03 0.00 -1.64 0.00 0.00 178.16 176.59 3hiy h ARG 17 N 0.05 0.00 -0.04 1.82 2.47 -1.76 -1.39 114.38 115.53 3hiy h ARG 17 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3hiy h ARG 17 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3hiy h ARG 17 CO -0.10 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.43 3hiy n ALA 18 N -2.25 2.55 0.13 0.04 0.00 -0.49 -3.85 120.51 116.63 3hiy n ALA 18 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 53.44 52.93 3hiy n ALA 18 Cb 0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 3hiy n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hiy n SER 19 N 0.39 0.60 -4.73 0.00 7.64 -0.53 -4.94 113.62 112.05 3hiy n SER 19 Ca 0.18 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.84 3hiy n SER 19 Cb 0.39 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 3hiy n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hiy s LEU 20 N -1.35 4.39 0.16 -3.43 1.43 -1.15 -3.60 118.68 115.13 3hiy s LEU 20 Ca 0.02 2.45 -0.33 0.00 -1.03 0.00 0.00 54.13 55.24 3hiy s LEU 20 Cb 0.02 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.48 3hiy s LEU 20 CO 0.08 -0.65 1.15 -2.65 0.23 0.00 0.00 176.35 174.52 3hiy n PRO 21 N 3.27 1.07 -0.82 1.29 -0.02 -1.26 -4.87 135.00 133.66 3hiy n PRO 21 Ca 0.09 0.38 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 3hiy n PRO 21 Cb 0.41 -1.88 0.17 0.00 -0.02 0.00 0.00 33.50 32.18 3hiy n PRO 21 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hiy s PRO 22 N -0.31 0.91 0.30 0.52 0.04 -1.26 -4.87 135.00 130.33 3hiy s PRO 22 Ca 0.75 1.29 0.05 0.00 0.04 0.00 0.00 61.00 63.14 3hiy s PRO 22 Cb -0.88 -1.73 0.79 0.00 0.04 0.00 0.00 34.50 32.71 3hiy s PRO 22 CO 0.52 -2.62 1.69 -1.00 0.04 0.00 0.00 177.00 175.63 3hiy h PRO 23 N -1.85 0.37 0.00 0.56 0.13 -2.06 -1.70 132.00 127.46 3hiy h PRO 23 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hiy h PRO 23 Cb 1.27 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hiy h PRO 23 CO 0.46 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 3hiy n GLU 24 N -5.06 0.29 0.06 0.86 0.00 -1.26 -4.11 120.64 111.43 3hiy n GLU 24 Ca 0.24 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.43 3hiy n GLU 24 Cb 0.71 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 31.01 3hiy n GLU 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3hiy h HIS 25 N 0.00 0.39 -0.34 -1.84 2.76 -1.64 -0.97 115.15 113.51 3hiy h HIS 25 Ca 0.00 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.20 3hiy h HIS 25 Cb 0.33 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 3hiy h HIS 25 CO 0.00 0.42 -0.08 1.03 -1.30 0.00 0.00 177.93 178.00 3hiy h SER 26 N 0.36 -0.32 -0.51 3.26 0.87 -1.78 -1.81 113.55 113.63 3hiy h SER 26 Ca 0.08 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3hiy h SER 26 Cb 0.31 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3hiy h SER 26 CO 0.01 -0.11 0.13 0.58 -0.53 0.00 0.00 176.83 176.91 3hiy h VAL 27 N 0.00 1.24 -0.42 2.23 2.07 -1.50 -2.13 116.25 117.74 3hiy h VAL 27 Ca 0.16 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.93 3hiy h VAL 27 Cb 0.25 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3hiy h VAL 27 CO -0.35 0.30 0.05 0.58 0.02 0.00 0.00 177.57 178.17 3hiy h VAL 28 N 0.70 0.74 -0.32 2.57 2.07 -0.97 -1.58 116.25 119.44 3hiy h VAL 28 Ca 0.16 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 3hiy h VAL 28 Cb 0.32 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3hiy h VAL 28 CO -0.00 0.03 -0.34 0.40 0.02 0.00 0.00 177.57 177.68 3hiy h ILE 29 N 0.17 1.28 -0.65 4.57 1.08 -1.20 0.03 117.51 122.79 3hiy h ILE 29 Ca 0.21 -1.49 -0.04 0.00 -0.39 0.00 0.00 64.86 63.15 3hiy h ILE 29 Cb 0.27 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 3hiy h ILE 29 CO -0.30 0.48 0.26 -0.74 -0.69 0.00 0.00 178.15 177.16 3hiy h HIS 30 N 0.60 0.96 -0.08 1.37 2.76 -1.09 -0.65 115.15 119.02 3hiy h HIS 30 Ca 0.06 -0.06 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 3hiy h HIS 30 Cb 0.86 -0.29 0.02 0.00 1.55 0.00 0.00 27.41 29.55 3hiy h HIS 30 CO 0.04 0.74 -0.90 0.93 -1.30 0.00 0.00 177.93 177.44 3hiy h GLU 31 N 0.93 0.75 -0.75 5.26 4.39 -0.80 -2.38 114.58 121.98 3hiy h GLU 31 Ca 0.22 -0.70 0.12 0.00 0.34 0.00 0.00 59.36 59.34 3hiy h GLU 31 Cb 0.18 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.92 3hiy h GLU 31 CO -0.02 1.29 0.35 1.25 -1.16 0.00 0.00 179.01 180.72 3hiy h LEU 32 N 0.46 0.41 -0.91 1.33 5.85 -0.70 -1.13 115.31 120.61 3hiy h LEU 32 Ca -0.09 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hiy h LEU 32 Cb 1.54 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 3hiy h LEU 32 CO 0.18 0.20 0.56 1.56 -0.34 0.00 0.00 178.44 180.60 3hiy h GLN 33 N 0.55 1.24 -0.86 1.25 4.20 -0.93 -1.66 115.11 118.90 3hiy h GLN 33 Ca 0.40 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 3hiy h GLN 33 Cb 0.52 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3hiy h GLN 33 CO -0.34 0.86 0.41 0.87 -0.67 0.00 0.00 178.83 179.97 3hiy h LYS 34 N 1.26 1.23 -0.28 1.46 1.57 -0.80 -1.23 116.57 119.78 3hiy h LYS 34 Ca 0.33 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3hiy h LYS 34 Cb -0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3hiy h LYS 34 CO -0.06 0.95 0.05 0.00 -0.57 0.00 0.00 179.45 179.81 3hiy h ARG 35 N 1.22 0.46 -0.59 3.15 3.08 -0.68 -1.66 114.38 119.36 3hiy h ARG 35 Ca 0.29 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3hiy h ARG 35 Cb 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3hiy h ARG 35 CO -0.04 0.57 0.20 0.28 -1.07 0.00 0.00 179.97 179.91 3hiy h VAL 36 N 0.28 1.22 -0.35 2.04 2.07 -1.11 -2.03 116.25 118.36 3hiy h VAL 36 Ca 0.09 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 3hiy h VAL 36 Cb 0.33 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3hiy h VAL 36 CO 0.00 0.29 -0.19 0.25 0.02 0.00 0.00 177.57 177.94 3hiy h LEU 37 N 0.86 0.67 -0.27 2.57 5.85 -1.09 0.60 115.31 124.49 3hiy h LEU 37 Ca 0.20 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hiy h LEU 37 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hiy h LEU 37 CO -0.01 0.86 0.17 0.44 -0.34 0.00 0.00 178.44 179.56 3hiy h ASP 38 N 0.59 0.33 -0.48 1.25 3.32 -0.62 -2.18 116.42 118.62 3hiy h ASP 38 Ca 0.09 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3hiy h ASP 38 Cb 0.65 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3hiy h ASP 38 CO 0.05 0.27 0.31 0.40 -1.72 0.00 0.00 179.24 178.54 3hiy h ILE 39 N 0.35 1.09 0.00 0.35 2.04 -1.30 -2.97 117.51 117.08 3hiy h ILE 39 Ca 0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hiy h ILE 39 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3hiy h ILE 39 CO -0.02 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.85 3hiy n GLY 40 N -1.23 0.18 0.75 5.37 0.00 0.19 -2.85 105.19 107.60 3hiy n GLY 40 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hiy n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hiy n LEU 42 N 0.80 0.00 -0.09 0.99 4.77 -1.12 -1.02 117.00 121.32 3hiy n LEU 42 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 3hiy n LEU 42 Cb 0.04 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 3hiy n LEU 42 CO 0.00 0.00 -1.20 0.00 -1.33 0.00 0.00 177.39 174.86 3hiy n ALA 43 N 0.00 1.29 -2.24 -1.18 0.00 -1.13 -5.02 120.51 112.23 3hiy n ALA 43 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.34 3hiy n ALA 43 Cb 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 3hiy n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hiy s VAL 44 N -2.53 0.98 0.15 0.00 -7.23 -0.19 -4.89 120.40 106.69 3hiy s VAL 44 Ca -0.31 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 57.61 3hiy s VAL 44 Cb 0.08 -1.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 3hiy s VAL 44 CO 0.65 -0.71 0.73 0.20 -0.31 0.00 0.00 175.10 175.66 3hiy s ASN 45 N -3.15 7.29 -1.40 4.85 -0.87 -1.26 -3.93 114.94 116.47 3hiy s ASN 45 Ca 0.17 1.55 -0.02 0.00 -1.57 0.00 0.00 52.86 52.99 3hiy s ASN 45 Cb 0.04 -2.46 0.02 0.00 -0.02 0.00 0.00 41.25 38.82 3hiy s ASN 45 CO 0.00 0.20 0.58 0.29 -2.57 0.00 0.00 177.10 175.60 3hiy n LYS 46 N 1.52 -4.02 -1.62 -0.60 4.76 -1.26 -0.74 118.16 116.19 3hiy n LYS 46 Ca -0.06 0.49 -0.45 0.00 -2.87 0.00 0.00 58.31 55.42 3hiy n LYS 46 Cb 0.49 -4.86 -0.02 0.00 -1.84 0.00 0.00 35.03 28.80 3hiy n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hiy n ALA 47 N -4.38 0.21 -3.09 7.82 0.00 -1.25 -3.90 120.51 115.91 3hiy n ALA 47 Ca -0.26 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 3hiy n ALA 47 Cb 0.66 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 3hiy n ALA 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hiy s HIS 48 N -0.54 0.26 -0.11 0.00 5.04 0.50 -4.95 115.29 115.49 3hiy s HIS 48 Ca 0.65 -0.03 0.02 0.00 -1.54 0.00 0.00 55.06 54.16 3hiy s HIS 48 Cb -0.71 -0.23 0.01 0.00 0.04 0.00 0.00 32.58 31.70 3hiy s HIS 48 CO 0.55 -0.04 -0.16 0.08 -2.34 0.00 0.00 174.74 172.83 3hiy s VAL 49 N 0.27 1.55 -0.05 0.89 1.01 -1.26 -0.99 120.40 121.82 3hiy s VAL 49 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3hiy s VAL 49 Cb -0.05 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3hiy s VAL 49 CO -0.01 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 174.79 3hiy s GLU 50 N 0.89 0.90 0.36 2.72 2.12 -0.21 -4.96 118.70 120.51 3hiy s GLU 50 Ca -0.08 -0.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.86 3hiy s GLU 50 Cb -0.15 -0.88 -0.09 0.00 0.26 0.00 0.00 34.13 33.26 3hiy s GLU 50 CO -0.00 -0.07 1.05 -1.17 -0.54 0.00 0.00 175.26 174.52 3hiy s LEU 51 N 0.89 4.28 0.00 2.70 2.96 -1.26 0.55 118.68 128.80 3hiy s LEU 51 Ca -0.11 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 3hiy s LEU 51 Cb -0.14 -4.01 0.00 0.00 0.50 0.00 0.00 46.19 42.54 3hiy s LEU 51 CO 0.00 -0.35 0.00 2.22 -1.32 0.00 0.00 176.35 176.91 3hiy n PHE 52 N 0.35 -0.02 -4.22 5.38 -1.74 0.20 -4.87 117.46 112.54 3hiy n PHE 52 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 3hiy n PHE 52 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 3hiy n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hiy n GLY 53 N 0.00 -1.31 0.24 4.97 0.00 -1.26 -3.79 105.19 104.04 3hiy n GLY 53 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.80 3hiy n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hiy h SER 54 N 0.00 0.14 0.11 1.61 4.64 -1.87 0.20 113.55 118.39 3hiy h SER 54 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hiy h SER 54 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3hiy h SER 54 CO 0.00 0.28 0.00 0.45 -0.87 0.00 0.00 176.83 176.69 3hiy h HIS 55 N 0.14 0.00 0.01 4.77 3.86 -1.83 1.70 115.15 123.80 3hiy h HIS 55 Ca 0.03 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.95 3hiy h HIS 55 Cb 0.31 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3hiy h HIS 55 CO 0.00 0.00 -1.59 0.28 0.86 0.00 0.00 177.93 177.48 3hiy n VAL 56 N -3.03 1.54 0.22 2.45 0.31 0.64 -4.33 118.33 116.13 3hiy n VAL 56 Ca -0.03 -0.14 0.06 0.00 -0.01 0.00 0.00 64.34 64.22 3hiy n VAL 56 Cb 0.09 -1.99 0.52 0.00 -0.91 0.00 0.00 33.84 31.55 3hiy n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hiy h SER 57 N -0.94 0.03 0.00 4.52 4.64 -0.96 -3.42 113.55 117.42 3hiy h SER 57 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hiy h SER 57 Cb 1.41 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3hiy h SER 57 CO -0.24 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 3hiy n GLY 58 N -1.11 1.08 2.22 -0.77 0.00 0.57 -4.11 105.19 103.08 3hiy n GLY 58 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3hiy n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hiy n PHE 59 N -2.00 1.29 -4.38 1.61 3.72 -1.16 -4.92 117.46 111.62 3hiy n PHE 59 Ca 0.00 -2.22 -0.27 0.00 -0.05 0.00 0.00 57.45 54.91 3hiy n PHE 59 Cb 0.00 -1.89 -0.11 0.00 -0.94 0.00 0.00 39.48 36.54 3hiy n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hiy s THR 61 N -1.68 3.08 -1.61 0.00 -4.23 -1.26 -4.61 115.64 105.33 3hiy s THR 61 Ca 0.22 -1.24 0.20 0.00 -1.18 0.00 0.00 61.69 59.69 3hiy s THR 61 Cb -0.08 -3.08 0.42 0.00 1.34 0.00 0.00 72.50 71.09 3hiy s THR 61 CO 0.12 -0.06 1.60 -0.81 -0.54 0.00 0.00 174.62 174.93 3hiy n PRO 62 N -1.58 0.39 0.00 3.99 -0.04 -1.24 -1.88 135.00 134.64 3hiy n PRO 62 Ca 0.03 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3hiy n PRO 62 Cb 0.60 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 3hiy n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hiy n HIS 63 N -1.20 0.00 -2.05 0.54 8.25 -1.26 -4.98 115.22 114.53 3hiy n HIS 63 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 3hiy n HIS 63 Cb 0.13 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 3hiy n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hiy s SER 64 N -2.43 6.28 1.08 0.41 0.01 -0.79 -4.91 113.70 113.35 3hiy s SER 64 Ca 0.20 2.65 -0.17 0.00 1.31 0.00 0.00 55.95 59.94 3hiy s SER 64 Cb 0.18 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 64.01 3hiy s SER 64 CO 0.54 -0.87 1.16 1.51 0.41 0.00 0.00 173.24 175.99 3hiy s ASP 65 N -0.76 2.00 -0.22 2.44 -4.77 -1.26 -4.74 116.67 109.37 3hiy s ASP 65 Ca 0.57 0.66 -0.01 0.00 -3.30 0.00 0.00 52.55 50.47 3hiy s ASP 65 Cb -0.38 -0.95 0.02 0.00 -1.09 0.00 0.00 42.92 40.52 3hiy s ASP 65 CO 0.49 -3.46 -0.11 0.00 0.70 0.00 0.00 175.17 172.78 3hiy s ALA 66 N -3.25 2.57 -0.23 2.11 0.00 0.99 -4.67 121.76 119.29 3hiy s ALA 66 Ca 0.70 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 3hiy s ALA 66 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3hiy s ALA 66 CO 0.55 -0.63 0.38 -0.51 0.00 0.00 0.00 175.76 175.56 3hiy s ASP 67 N 1.31 6.37 -0.08 0.00 1.01 -1.25 -1.42 116.67 122.61 3hiy s ASP 67 Ca 0.02 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.72 3hiy s ASP 67 Cb -0.15 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3hiy s ASP 67 CO -0.07 -0.11 -0.12 -0.63 0.21 0.00 0.00 175.17 174.45 3hiy s ILE 68 N 1.57 1.16 -0.26 0.77 1.01 -0.07 0.59 121.20 125.97 3hiy s ILE 68 Ca 0.17 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 3hiy s ILE 68 Cb -0.15 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3hiy s ILE 68 CO 0.08 0.37 0.32 -0.55 0.00 0.00 0.00 174.94 175.16 3hiy s SER 69 N 0.94 6.21 -0.21 3.58 0.15 0.19 -1.81 113.70 122.75 3hiy s SER 69 Ca -0.09 0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.69 3hiy s SER 69 Cb -0.15 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3hiy s SER 69 CO 0.00 -0.13 0.13 -0.22 1.20 0.00 0.00 173.24 174.22 3hiy s LEU 70 N 1.86 4.11 0.29 3.45 2.96 0.26 -1.05 118.68 130.57 3hiy s LEU 70 Ca 0.13 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3hiy s LEU 70 Cb -0.16 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.40 3hiy s LEU 70 CO 0.10 0.15 0.04 0.42 -1.32 0.00 0.00 176.35 175.74 3hiy s THR 71 N 0.55 1.09 0.33 3.68 -4.23 -0.16 -0.86 115.64 116.04 3hiy s THR 71 Ca 0.07 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3hiy s THR 71 Cb -0.12 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.09 3hiy s THR 71 CO 0.00 -0.09 0.49 0.00 -0.54 0.00 0.00 174.62 174.48 3hiy n TYR 72 N -0.59 -1.49 -1.97 3.99 4.11 -1.26 -0.37 117.16 119.58 3hiy n TYR 72 Ca -0.03 -2.13 -0.42 0.00 -0.00 0.00 0.00 57.90 55.33 3hiy n TYR 72 Cb 0.66 0.56 -0.03 0.00 -0.00 0.00 0.00 39.34 40.52 3hiy n TYR 72 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3hiy s ARG 73 N -2.66 4.23 -1.82 -3.48 3.52 0.08 -2.04 118.95 116.78 3hiy s ARG 73 Ca 0.25 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3hiy s ARG 73 Cb -0.01 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3hiy s ARG 73 CO 0.18 -0.57 0.00 0.09 -0.81 0.00 0.00 175.30 174.19 3hiy n ASN 74 N 3.83 -5.54 -4.76 -2.12 3.02 -1.26 -4.96 115.26 103.46 3hiy n ASN 74 Ca 0.13 0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.42 3hiy n ASN 74 Cb 0.39 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.84 3hiy n ASN 74 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hiy s PHE 75 N -2.90 2.80 -0.04 3.10 5.36 -0.87 -5.02 117.98 120.41 3hiy s PHE 75 Ca 0.00 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.04 3hiy s PHE 75 Cb 0.00 -3.93 0.03 0.00 -0.34 0.00 0.00 43.02 38.78 3hiy s PHE 75 CO 0.00 -2.88 0.07 0.45 -1.46 0.00 0.00 175.22 171.41 3hiy s SER 76 N 0.06 0.31 0.57 6.13 0.15 -1.26 -4.98 113.70 114.68 3hiy s SER 76 Ca 0.56 0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.62 3hiy s SER 76 Cb -0.45 0.01 1.71 0.00 -1.71 0.00 0.00 66.02 65.58 3hiy s SER 76 CO 0.53 -0.17 2.22 1.55 1.20 0.00 0.00 173.24 178.57 3hiy h PRO 77 N 7.62 0.00 0.00 5.44 0.13 -1.95 -3.01 132.00 140.23 3hiy h PRO 77 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3hiy h PRO 77 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hiy h PRO 77 CO 0.37 0.02 -0.08 -1.49 -0.23 0.00 0.00 178.00 176.58 3hiy h TRP 78 N 0.00 0.00 -0.00 1.56 4.06 -1.95 -3.25 115.95 116.36 3hiy h TRP 78 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3hiy h TRP 78 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 3hiy h TRP 78 CO 0.00 0.00 -0.12 1.28 -3.56 0.00 0.00 178.44 176.04 3hiy n LEU 79 N -2.47 0.58 -4.76 -4.49 4.77 -1.13 -4.73 117.00 104.77 3hiy n LEU 79 Ca 0.05 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 3hiy n LEU 79 Cb 0.46 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3hiy n LEU 79 CO 0.32 0.11 1.16 -1.58 -1.33 0.00 0.00 177.39 176.07 3hiy s GLN 80 N -2.43 4.17 0.00 3.23 0.74 -1.23 -4.64 119.66 119.50 3hiy s GLN 80 Ca 0.30 2.48 0.00 0.00 0.05 0.00 0.00 55.36 58.19 3hiy s GLN 80 Cb 0.20 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.28 3hiy s GLN 80 CO 0.47 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 3hiy n GLY 81 N 1.59 0.72 0.34 2.59 0.00 -1.26 -5.00 105.19 104.16 3hiy n GLY 81 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hiy n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hiy n GLU 83 N 0.00 0.00 0.18 1.61 0.28 -1.26 -4.87 120.64 116.58 3hiy n GLU 83 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 3hiy n GLU 83 Cb 0.00 -0.83 0.40 0.00 1.43 0.00 0.00 31.44 32.45 3hiy n GLU 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hiy h ARG 84 N 0.00 0.06 0.17 3.44 2.47 -1.96 -0.56 114.38 118.00 3hiy h ARG 84 Ca 0.00 -0.02 -0.33 0.00 -1.26 0.00 0.00 59.98 58.38 3hiy h ARG 84 Cb 1.00 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.32 3hiy h ARG 84 CO 0.00 0.32 -1.60 0.28 0.56 0.00 0.00 179.97 179.53 3hiy h VAL 85 N 0.05 1.10 -0.69 2.04 2.07 -1.95 -2.61 116.25 116.26 3hiy h VAL 85 Ca 0.01 -2.68 0.11 0.00 0.82 0.00 0.00 66.70 64.96 3hiy h VAL 85 Cb 0.50 2.81 -0.08 0.00 -1.52 0.00 0.00 31.29 33.00 3hiy h VAL 85 CO 0.04 0.84 0.29 0.44 0.02 0.00 0.00 177.57 179.19 3hiy h ASP 86 N 0.10 0.32 -0.19 0.57 3.32 -1.77 0.26 116.42 119.02 3hiy h ASP 86 Ca -0.28 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 3hiy h ASP 86 Cb 2.07 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.67 3hiy h ASP 86 CO 0.19 0.17 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.28 3hiy h GLU 87 N 0.48 0.69 -0.67 3.56 4.57 -1.15 -0.81 114.58 121.25 3hiy h GLU 87 Ca 0.35 -0.48 0.13 0.00 -1.18 0.00 0.00 59.36 58.18 3hiy h GLU 87 Cb 0.45 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.03 3hiy h GLU 87 CO -0.33 1.10 0.19 0.37 -1.18 0.00 0.00 179.01 179.17 3hiy h GLN 88 N 0.39 0.31 -0.39 1.92 5.75 -1.25 -0.42 115.11 121.42 3hiy h GLN 88 Ca -0.01 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 3hiy h GLN 88 Cb 1.13 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 3hiy h GLN 88 CO 0.11 0.21 -0.10 -0.91 -2.65 0.00 0.00 178.83 175.48 3hiy h ASN 89 N 0.32 0.67 -0.70 -0.69 2.35 -0.64 -0.93 115.58 115.97 3hiy h ASN 89 Ca 0.36 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3hiy h ASN 89 Cb 0.56 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3hiy h ASN 89 CO -0.42 0.81 0.34 -1.13 -1.65 0.00 0.00 177.43 175.38 3hiy h ASN 90 N 0.63 0.91 -0.28 5.81 -1.24 -0.50 -2.36 115.58 118.55 3hiy h ASN 90 Ca 0.11 -0.13 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 3hiy h ASN 90 Cb 0.55 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 3hiy h ASN 90 CO 0.03 0.78 -0.04 0.50 -1.29 0.00 0.00 177.43 177.41 3hiy h LYS 91 N 0.97 0.65 -0.16 6.67 3.64 -0.84 -0.01 116.57 127.48 3hiy h LYS 91 Ca 0.24 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hiy h LYS 91 Cb 0.11 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3hiy h LYS 91 CO -0.03 0.69 0.00 0.54 -2.27 0.00 0.00 179.45 178.38 3hiy n ARG 92 N -4.22 0.19 0.00 1.90 1.74 -0.38 -2.08 116.66 113.81 3hiy n ARG 92 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3hiy n ARG 92 Cb 0.30 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3hiy n ARG 92 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hiy n THR 94 N 0.27 0.00 -0.22 0.55 -1.04 -0.02 -1.11 114.28 112.71 3hiy n THR 94 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3hiy n THR 94 Cb 0.04 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.68 3hiy n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3hiy h ARG 95 N 0.00 1.02 -0.17 -2.82 2.43 -1.68 -1.67 114.38 111.49 3hiy h ARG 95 Ca 0.00 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3hiy h ARG 95 Cb 0.00 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3hiy h ARG 95 CO 0.00 0.86 -0.04 0.35 -1.51 0.00 0.00 179.97 179.62 3hiy h PHE 96 N 1.00 -0.09 -0.60 2.20 3.57 -1.39 0.31 116.94 121.93 3hiy h PHE 96 Ca 0.23 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.86 3hiy h PHE 96 Cb 0.24 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 3hiy h PHE 96 CO 0.02 -0.08 0.08 0.78 -2.23 0.00 0.00 178.31 176.88 3hiy h GLY 97 N -0.00 0.73 1.54 2.40 0.00 -1.77 0.99 103.07 106.96 3hiy h GLY 97 Ca 0.08 0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 3hiy h GLY 97 CO -0.18 -0.15 -0.74 0.50 0.00 0.00 0.00 176.54 175.97 3hiy h LYS 98 N 0.20 0.45 0.00 4.80 1.79 -0.27 -2.26 116.57 121.28 3hiy h LYS 98 Ca 0.32 -0.37 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 3hiy h LYS 98 Cb 0.50 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3hiy h LYS 98 CO -0.45 1.01 -0.45 0.93 -1.08 0.00 0.00 179.45 179.41 3hiy h GLU 99 N 0.30 0.00 -0.15 3.15 4.39 -0.07 -2.40 114.58 119.80 3hiy h GLU 99 Ca -0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3hiy h GLU 99 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3hiy h GLU 99 CO 0.13 0.45 -0.19 0.00 -1.16 0.00 0.00 179.01 178.24 3hiy h ALA 100 N 1.55 0.23 -0.72 3.43 0.00 -0.59 -2.95 119.26 120.21 3hiy h ALA 100 Ca -0.00 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3hiy h ALA 100 Cb 1.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3hiy h ALA 100 CO 0.06 0.15 0.44 0.77 0.00 0.00 0.00 179.25 180.67 3hiy h SER 101 N 0.03 0.71 0.00 0.00 0.02 -1.45 -2.40 113.55 110.46 3hiy h SER 101 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hiy h SER 101 Cb 0.74 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3hiy h SER 101 CO 0.05 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 3hiy n ALA 102 N -2.33 1.87 -3.45 3.77 0.00 -0.90 -4.97 120.51 114.51 3hiy n ALA 102 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3hiy n ALA 102 Cb 0.11 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 3hiy n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hiy s GLY 104 N 1.15 0.18 0.08 0.00 0.00 -0.90 -5.10 107.32 102.73 3hiy s GLY 104 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.80 3hiy s GLY 104 CO 0.00 2.41 0.27 -0.54 0.00 0.00 0.00 173.10 175.25 3hiy s GLU 106 N 2.04 0.88 -1.41 2.90 0.41 -0.39 -4.02 118.70 119.11 3hiy s GLU 106 Ca 0.11 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 53.81 3hiy s GLU 106 Cb -0.16 0.37 0.08 0.00 -1.78 0.00 0.00 34.13 32.64 3hiy s GLU 106 CO -0.28 -0.30 0.65 -0.25 -0.49 0.00 0.00 175.26 174.59 3hiy n ASP 107 N 0.11 -4.24 -4.71 -0.19 8.00 -1.26 -0.79 116.55 113.47 3hiy n ASP 107 Ca -0.16 -0.52 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 3hiy n ASP 107 Cb 0.62 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.23 3hiy n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hiy s VAL 108 N -3.08 3.11 -0.04 2.53 1.01 -1.26 -4.30 120.40 118.38 3hiy s VAL 108 Ca 0.48 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 3hiy s VAL 108 Cb -0.25 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hiy s VAL 108 CO 0.59 0.03 0.04 -0.13 0.00 0.00 0.00 175.10 175.64 3hiy s ARG 109 N 1.69 0.08 -0.40 2.72 0.52 0.11 -4.98 118.95 118.69 3hiy s ARG 109 Ca 0.68 0.29 -0.15 0.00 -0.52 0.00 0.00 55.73 56.03 3hiy s ARG 109 Cb -0.39 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.52 3hiy s ARG 109 CO 0.30 -0.30 0.34 -0.47 0.02 0.00 0.00 175.30 175.19 3hiy s TYR 110 N 1.97 3.21 -0.23 -0.53 5.04 -1.26 -0.18 117.35 125.37 3hiy s TYR 110 Ca 0.03 -0.41 -0.08 0.00 -2.44 0.00 0.00 57.07 54.16 3hiy s TYR 110 Cb -0.12 -2.67 -0.04 0.00 0.35 0.00 0.00 41.96 39.48 3hiy s TYR 110 CO -0.03 -0.57 0.10 0.42 -1.34 0.00 0.00 175.55 174.13 3hiy s ILE 111 N 1.86 4.83 -0.60 3.14 1.01 0.56 -5.00 121.20 127.00 3hiy s ILE 111 Ca 0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 3hiy s ILE 111 Cb -0.18 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3hiy s ILE 111 CO 0.11 0.37 0.90 -0.13 0.00 0.00 0.00 174.94 176.19 3hiy s ARG 112 N 1.09 3.17 0.00 2.79 1.81 -1.26 -1.38 118.95 125.17 3hiy s ARG 112 Ca 0.05 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.35 3hiy s ARG 112 Cb -0.14 -4.16 0.00 0.00 -0.45 0.00 0.00 34.95 30.20 3hiy s ARG 112 CO 0.04 -1.63 0.00 0.00 -0.68 0.00 0.00 175.30 173.03 3hiy n ALA 113 N 7.34 0.00 0.04 2.13 0.00 -1.26 -4.97 120.51 123.79 3hiy n ALA 113 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hiy n ALA 113 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3hiy n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hiy n ARG 114 N 0.00 0.03 0.00 0.00 1.74 -1.26 -3.59 116.66 113.58 3hiy n ARG 114 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hiy n ARG 114 Cb 0.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3hiy n ARG 114 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3hiy n ILE 115 N 0.06 0.00 -1.64 0.55 3.06 -1.26 -5.12 119.36 115.01 3hiy n ILE 115 Ca 0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 3hiy n ILE 115 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 3hiy n ILE 115 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 3hiy n PRO 116 N 0.00 2.48 -4.24 9.51 -0.02 -1.24 -4.83 135.00 136.67 3hiy n PRO 116 Ca 0.00 0.85 -0.18 0.00 -2.02 0.00 0.00 63.50 62.15 3hiy n PRO 116 Cb 0.00 -3.03 -0.13 0.00 -0.02 0.00 0.00 33.50 30.33 3hiy n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hiy s VAL 117 N 5.68 0.97 -0.13 -1.45 0.11 -0.48 -3.94 120.40 121.17 3hiy s VAL 117 Ca 0.94 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3hiy s VAL 117 Cb -0.44 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 3hiy s VAL 117 CO 0.41 -0.12 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.16 3hiy s VAL 118 N -1.01 2.01 -0.05 2.04 1.01 0.21 -0.32 120.40 124.29 3hiy s VAL 118 Ca -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3hiy s VAL 118 Cb -0.08 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hiy s VAL 118 CO 0.01 0.54 -0.13 -1.10 0.00 0.00 0.00 175.10 174.43 3hiy s GLN 119 N 0.72 2.54 0.13 2.72 -0.21 0.74 -0.07 119.66 126.24 3hiy s GLN 119 Ca -0.10 -0.67 -0.13 0.00 0.02 0.00 0.00 55.36 54.48 3hiy s GLN 119 Cb -0.16 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.45 3hiy s GLN 119 CO 0.01 0.63 0.34 -0.59 -2.12 0.00 0.00 175.29 173.56 3hiy s PHE 120 N -0.75 0.01 -0.27 0.91 -0.71 -0.42 0.05 117.98 116.81 3hiy s PHE 120 Ca 0.12 -0.37 -0.14 0.00 -1.04 0.00 0.00 56.93 55.49 3hiy s PHE 120 Cb -0.11 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 3hiy s PHE 120 CO 0.01 -0.69 0.35 0.99 -1.34 0.00 0.00 175.22 174.54 3hiy s THR 121 N -3.86 5.19 0.14 -4.49 2.01 0.03 0.11 115.64 114.76 3hiy s THR 121 Ca 0.07 0.53 -0.34 0.00 0.31 0.00 0.00 61.69 62.26 3hiy s THR 121 Cb 0.03 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 3hiy s THR 121 CO -0.09 0.18 1.62 -0.67 -0.69 0.00 0.00 174.62 174.97 3hiy n ASP 122 N 5.22 3.18 0.00 3.53 2.03 -0.43 -1.26 116.55 128.82 3hiy n ASP 122 Ca -0.09 1.07 0.07 0.00 0.52 0.00 0.00 54.79 56.36 3hiy n ASP 122 Cb 0.51 -1.43 0.37 0.00 -0.72 0.00 0.00 41.12 39.85 3hiy n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hiy n GLY 123 N 3.55 -0.80 0.33 0.27 0.00 -1.26 -1.78 105.19 105.50 3hiy n GLY 123 Ca 0.18 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3hiy n GLY 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hiy n VAL 124 N -1.30 1.20 0.36 1.61 0.31 -1.26 -4.81 118.33 114.43 3hiy n VAL 124 Ca 0.07 -0.30 0.04 0.00 -0.01 0.00 0.00 64.34 64.13 3hiy n VAL 124 Cb 0.12 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 3hiy n VAL 124 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hiy n THR 125 N -3.98 0.00 0.00 2.52 -2.24 -1.23 -5.00 114.28 104.35 3hiy n THR 125 Ca -0.43 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3hiy n THR 125 Cb 0.80 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3hiy n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hiy n GLY 126 N 1.21 2.82 3.63 3.38 0.00 -0.74 -5.01 105.19 110.49 3hiy n GLY 126 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3hiy n GLY 126 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hiy n ILE 127 N -2.00 1.25 -2.76 -0.61 5.41 -1.26 -4.51 119.36 114.88 3hiy n ILE 127 Ca 0.00 -0.31 -0.40 0.00 1.00 0.00 0.00 62.75 63.03 3hiy n ILE 127 Cb 0.00 -1.17 -0.05 0.00 -0.71 0.00 0.00 39.64 37.70 3hiy n ILE 127 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3hiy s HIS 128 N -0.41 3.91 -0.05 1.39 5.65 -1.26 -1.31 115.29 123.21 3hiy s HIS 128 Ca 0.67 1.85 0.05 0.00 0.25 0.00 0.00 55.06 57.87 3hiy s HIS 128 Cb -0.72 -3.00 -0.01 0.00 -1.18 0.00 0.00 32.58 27.68 3hiy s HIS 128 CO 0.54 0.36 -0.21 0.00 -0.65 0.00 0.00 174.74 174.77 3hiy s ASP 130 N -0.04 4.13 -0.14 0.00 3.68 -0.51 -1.30 116.67 122.49 3hiy s ASP 130 Ca -0.05 -1.24 -0.00 0.00 2.13 0.00 0.00 52.55 53.39 3hiy s ASP 130 Cb -0.13 -1.47 -0.01 0.00 -1.45 0.00 0.00 42.92 39.86 3hiy s ASP 130 CO 0.03 -0.17 -0.13 -0.69 0.13 0.00 0.00 175.17 174.34 3hiy s VAL 131 N 1.18 2.97 0.08 1.11 1.01 0.91 -0.89 120.40 126.76 3hiy s VAL 131 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hiy s VAL 131 Cb -0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3hiy s VAL 131 CO -0.06 0.52 -0.07 -0.94 0.00 0.00 0.00 175.10 174.54 3hiy s SER 132 N 0.51 1.03 -0.22 3.32 1.04 -0.75 0.67 113.70 119.31 3hiy s SER 132 Ca -0.09 -0.83 -0.26 0.00 0.48 0.00 0.00 55.95 55.25 3hiy s SER 132 Cb -0.16 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3hiy s SER 132 CO 0.04 -0.37 0.87 -0.63 0.98 0.00 0.00 173.24 174.13 3hiy s ILE 133 N -2.78 4.82 -1.12 -1.02 1.01 -1.25 0.93 121.20 121.78 3hiy s ILE 133 Ca 0.04 1.67 -0.03 0.00 0.00 0.00 0.00 60.65 62.33 3hiy s ILE 133 Cb -0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3hiy s ILE 133 CO -0.03 -0.06 0.95 0.61 0.00 0.00 0.00 174.94 176.41 3hiy n GLY 134 N 3.59 -0.32 2.57 6.18 0.00 -0.04 -4.86 105.19 112.31 3hiy n GLY 134 Ca 0.06 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3hiy n GLY 134 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hiy n ASN 135 N -2.81 6.01 -0.22 1.61 2.85 -1.26 -4.69 115.26 116.76 3hiy n ASN 135 Ca -0.18 -2.59 -0.05 0.00 -0.11 0.00 0.00 54.58 51.65 3hiy n ASN 135 Cb 0.62 -1.42 0.05 0.00 1.24 0.00 0.00 39.78 40.27 3hiy n ASN 135 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hiy h ILE 136 N 3.51 1.14 -0.96 -1.44 1.08 -1.99 -0.64 117.51 118.20 3hiy h ILE 136 Ca 0.66 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.89 3hiy h ILE 136 Cb 0.38 0.24 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 3hiy h ILE 136 CO 1.75 0.15 0.63 1.23 -0.69 0.00 0.00 178.15 181.22 3hiy h GLY 137 N 0.83 1.39 1.13 5.37 0.00 -1.94 -1.13 103.07 108.72 3hiy h GLY 137 Ca 0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 3hiy h GLY 137 CO -0.06 0.41 -0.35 -1.33 0.00 0.00 0.00 176.54 175.21 3hiy h GLY 138 N 1.21 1.04 0.99 4.60 0.00 -1.54 -1.62 103.07 107.75 3hiy h GLY 138 Ca 0.38 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3hiy h GLY 138 CO -0.12 0.94 -0.00 -2.08 0.00 0.00 0.00 176.54 175.28 3hiy h VAL 139 N 0.79 0.99 -0.12 4.60 2.07 -0.72 -2.37 116.25 121.49 3hiy h VAL 139 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3hiy h VAL 139 Cb 0.94 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3hiy h VAL 139 CO 0.09 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.32 3hiy h GLU 140 N -0.00 0.23 0.00 1.57 4.39 -1.15 -2.71 114.58 116.91 3hiy h GLU 140 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3hiy h GLU 140 Cb 0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hiy h GLU 140 CO -0.01 0.53 0.00 0.27 -1.16 0.00 0.00 179.01 178.64 3hiy n ASN 141 N -4.74 0.75 0.08 1.42 0.23 -0.62 -1.35 115.26 111.03 3hiy n ASN 141 Ca -0.06 0.64 -0.08 0.00 -0.53 0.00 0.00 54.58 54.54 3hiy n ASN 141 Cb 0.24 -0.81 -0.05 0.00 -2.08 0.00 0.00 39.78 37.08 3hiy n ASN 141 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3hiy h SER 142 N 0.00 0.16 -0.16 0.53 0.02 -1.33 -2.14 113.55 110.63 3hiy h SER 142 Ca 0.00 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 3hiy h SER 142 Cb 0.52 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hiy h SER 142 CO 0.00 1.01 -0.49 0.11 -1.14 0.00 0.00 176.83 176.32 3hiy h LYS 143 N 0.05 0.73 -0.55 3.45 1.57 -0.89 -1.23 116.57 119.71 3hiy h LYS 143 Ca -0.04 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3hiy h LYS 143 Cb 1.62 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.94 3hiy h LYS 143 CO 0.14 1.05 0.23 0.82 -0.57 0.00 0.00 179.45 181.12 3hiy h ILE 144 N 0.58 1.22 -0.37 1.86 2.04 -1.33 -1.29 117.51 120.22 3hiy h ILE 144 Ca 0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3hiy h ILE 144 Cb 1.05 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3hiy h ILE 144 CO 0.10 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 178.35 3hiy h LEU 145 N 0.74 0.61 0.03 1.44 3.38 -1.31 -1.20 115.31 119.00 3hiy h LEU 145 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hiy h LEU 145 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hiy h LEU 145 CO -0.02 0.74 -0.01 0.00 0.09 0.00 0.00 178.44 179.24 3hiy h ALA 147 N 0.71 1.73 -0.06 0.00 0.00 -0.78 -1.15 119.26 119.72 3hiy h ALA 147 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hiy h ALA 147 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hiy h ALA 147 CO 0.01 -0.02 0.00 0.82 0.00 0.00 0.00 179.25 180.06 3hiy h ILE 148 N 0.78 1.24 -0.81 0.00 2.04 -0.92 -2.99 117.51 116.84 3hiy h ILE 148 Ca 0.51 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.74 3hiy h ILE 148 Cb 0.75 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 3hiy h ILE 148 CO -0.27 0.20 0.53 -0.09 0.00 0.00 0.00 178.15 178.52 3hiy h ARG 149 N -0.18 0.69 0.00 2.37 2.43 -0.04 -2.32 114.38 117.33 3hiy h ARG 149 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3hiy h ARG 149 Cb 0.32 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hiy h ARG 149 CO 0.00 0.46 -0.14 1.96 -1.51 0.00 0.00 179.97 180.74 3hiy h GLN 150 N 0.71 0.00 -0.98 0.20 4.20 -1.16 -2.22 115.11 115.87 3hiy h GLN 150 Ca 0.38 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.40 3hiy h GLN 150 Cb 0.52 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.15 3hiy h GLN 150 CO -0.15 0.14 0.49 0.28 -0.67 0.00 0.00 178.83 178.91 3hiy h VAL 151 N 0.00 0.29 -0.64 -0.54 2.07 -1.45 -3.37 116.25 112.62 3hiy h VAL 151 Ca -0.00 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3hiy h VAL 151 Cb 0.26 -0.02 -0.16 0.00 -1.52 0.00 0.00 31.29 29.85 3hiy h VAL 151 CO 0.02 0.05 -0.33 0.12 0.02 0.00 0.00 177.57 177.46 3hiy s PHE 152 N -5.73 -1.03 0.25 1.57 5.99 -1.09 -5.04 117.98 112.89 3hiy s PHE 152 Ca -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 56.93 56.45 3hiy s PHE 152 Cb 0.29 0.20 0.51 0.00 0.00 0.00 0.00 43.02 44.02 3hiy s PHE 152 CO 0.79 -0.81 1.71 -1.35 -0.00 0.00 0.00 175.22 175.56 3hiy h PRO 153 N 4.69 0.39 0.00 10.12 0.11 -1.57 -0.43 132.00 145.30 3hiy h PRO 153 Ca 0.03 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 3hiy h PRO 153 Cb 1.14 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hiy h PRO 153 CO -0.04 0.26 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.17 3hiy h ASP 154 N 0.40 0.00 0.29 -2.05 3.32 -1.96 0.79 116.42 117.22 3hiy h ASP 154 Ca 0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 3hiy h ASP 154 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3hiy h ASP 154 CO -0.45 0.39 -0.14 0.15 -1.72 0.00 0.00 179.24 177.47 3hiy h PHE 155 N 0.00 -0.37 -0.34 4.55 3.57 -1.46 -1.63 116.94 121.27 3hiy h PHE 155 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3hiy h PHE 155 Cb 0.78 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3hiy h PHE 155 CO 0.00 -0.11 0.02 1.88 -2.23 0.00 0.00 178.31 177.88 3hiy h TYR 156 N -1.04 0.62 -0.27 0.41 0.05 -1.44 -1.32 116.97 113.98 3hiy h TYR 156 Ca -0.04 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.68 3hiy h TYR 156 Cb 0.42 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 3hiy h TYR 156 CO 0.03 0.67 0.01 0.78 -1.05 0.00 0.00 178.16 178.60 3hiy h GLY 157 N 0.39 0.27 0.77 3.88 0.00 0.48 0.42 103.07 109.28 3hiy h GLY 157 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3hiy h GLY 157 CO 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 176.54 176.45 3hiy h ALA 158 N 1.22 -0.15 0.20 3.60 0.00 -1.20 0.86 119.26 123.79 3hiy h ALA 158 Ca 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hiy h ALA 158 Cb 0.16 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hiy h ALA 158 CO -0.20 -0.47 -0.50 -0.92 0.00 0.00 0.00 179.25 177.16 3hiy h TYR 159 N -0.39 -1.42 -0.57 0.00 3.20 -1.08 0.13 116.97 116.85 3hiy h TYR 159 Ca -0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hiy h TYR 159 Cb 0.32 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3hiy h TYR 159 CO 0.00 -0.60 0.35 0.82 -1.64 0.00 0.00 178.16 177.09 3hiy h ILE 160 N -0.79 1.06 -0.39 1.81 1.08 -0.12 -0.97 117.51 119.19 3hiy h ILE 160 Ca -0.01 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.30 3hiy h ILE 160 Cb 0.77 0.32 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 3hiy h ILE 160 CO -0.23 0.12 -0.12 -0.74 -0.69 0.00 0.00 178.15 176.49 3hiy h HIS 161 N 0.68 -0.28 -0.12 1.37 2.76 0.12 0.11 115.15 119.79 3hiy h HIS 161 Ca 0.23 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.31 3hiy h HIS 161 Cb 0.03 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3hiy h HIS 161 CO -0.06 -0.20 -0.51 -0.07 -1.30 0.00 0.00 177.93 175.79 3hiy h LEU 162 N -0.04 0.35 -0.51 0.26 3.38 -0.30 0.65 115.31 119.10 3hiy h LEU 162 Ca 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hiy h LEU 162 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hiy h LEU 162 CO -0.42 0.80 0.09 0.58 0.09 0.00 0.00 178.44 179.58 3hiy h VAL 163 N 0.26 1.25 0.22 1.22 2.07 -0.97 0.41 116.25 120.71 3hiy h VAL 163 Ca 0.01 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3hiy h VAL 163 Cb 0.98 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3hiy h VAL 163 CO 0.08 0.33 -0.11 0.11 0.02 0.00 0.00 177.57 178.01 3hiy h LYS 164 N 0.72 -0.29 -0.52 1.57 1.57 -0.09 0.24 116.57 119.77 3hiy h LYS 164 Ca 0.16 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.06 3hiy h LYS 164 Cb 0.39 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.66 3hiy h LYS 164 CO 0.01 0.09 -0.19 0.00 -0.57 0.00 0.00 179.45 178.79 3hiy h ALA 165 N -0.24 0.22 0.24 3.86 0.00 0.25 1.11 119.26 124.70 3hiy h ALA 165 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hiy h ALA 165 Cb 0.51 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3hiy h ALA 165 CO 0.05 -0.51 -0.50 2.35 0.00 0.00 0.00 179.25 180.64 3hiy h TRP 166 N -0.07 -1.42 -0.41 0.00 7.01 -0.15 -0.51 115.95 120.39 3hiy h TRP 166 Ca 0.25 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.31 3hiy h TRP 166 Cb 0.45 0.59 -0.04 0.00 -2.10 0.00 0.00 29.16 28.07 3hiy h TRP 166 CO -0.49 -0.60 0.20 0.78 -2.79 0.00 0.00 178.44 175.54 3hiy h GLY 167 N -0.81 0.56 0.57 2.65 0.00 0.78 0.42 103.07 107.25 3hiy h GLY 167 Ca -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3hiy h GLY 167 CO -0.20 0.10 -0.27 0.50 0.00 0.00 0.00 176.54 176.66 3hiy h LYS 168 N 0.41 -0.74 -1.12 4.80 1.57 0.13 0.92 116.57 122.53 3hiy h LYS 168 Ca 0.18 0.05 0.31 0.00 -1.87 0.00 0.00 60.65 59.32 3hiy h LYS 168 Cb 0.09 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.48 3hiy h LYS 168 CO -0.13 -0.49 0.74 0.00 -0.57 0.00 0.00 179.45 179.00 3hiy h ALA 169 N -1.63 2.50 -0.40 3.86 0.00 -0.96 -0.12 119.26 122.51 3hiy h ALA 169 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hiy h ALA 169 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hiy h ALA 169 CO 0.13 -0.93 0.00 0.54 0.00 0.00 0.00 179.25 178.98 3hiy n ARG 170 N -4.55 2.24 -2.12 0.00 5.12 0.15 -3.08 116.66 114.42 3hiy n ARG 170 Ca 0.28 -1.89 -0.20 0.00 -1.93 0.00 0.00 57.85 54.11 3hiy n ARG 170 Cb 1.05 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.86 3hiy n ARG 170 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hiy n GLU 171 N 1.08 -1.50 0.06 5.56 1.02 -0.06 -4.78 120.64 122.02 3hiy n GLU 171 Ca 0.18 1.03 -0.21 0.00 -0.02 0.00 0.00 57.16 58.14 3hiy n GLU 171 Cb 0.49 -5.53 -0.15 0.00 -0.02 0.00 0.00 31.44 26.23 3hiy n GLU 171 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hiy h VAL 172 N 0.00 1.40 -3.22 2.62 2.07 0.55 -3.37 116.25 116.29 3hiy h VAL 172 Ca -0.45 -2.55 -0.74 0.00 0.82 0.00 0.00 66.70 63.78 3hiy h VAL 172 Cb 1.32 3.10 -0.22 0.00 -1.52 0.00 0.00 31.29 33.97 3hiy h VAL 172 CO 0.56 0.73 0.31 -0.63 0.02 0.00 0.00 177.57 178.56 3hiy s ILE 173 N -2.47 5.20 -0.41 4.57 1.01 -0.75 -1.90 121.20 126.46 3hiy s ILE 173 Ca -0.14 -1.92 0.04 0.00 0.00 0.00 0.00 60.65 58.63 3hiy s ILE 173 Cb 0.02 -4.56 0.17 0.00 0.01 0.00 0.00 42.46 38.10 3hiy s ILE 173 CO 0.84 -1.18 0.36 0.00 0.00 0.00 0.00 174.94 174.96 3hiy s ALA 174 N 1.39 1.17 0.04 9.38 0.00 -0.49 -4.26 121.76 128.99 3hiy s ALA 174 Ca 0.21 -2.31 -0.15 0.00 0.00 0.00 0.00 51.96 49.70 3hiy s ALA 174 Cb -0.12 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 3hiy s ALA 174 CO -0.06 -1.99 1.24 -1.00 0.00 0.00 0.00 175.76 173.95 3hiy h PRO 175 N 5.63 -0.38 0.00 0.00 0.13 -1.75 -1.25 132.00 134.38 3hiy h PRO 175 Ca 0.25 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 3hiy h PRO 175 Cb 0.92 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hiy h PRO 175 CO 0.35 -0.26 0.00 -1.91 -0.23 0.00 0.00 178.00 175.95 3hiy n GLU 176 N -3.71 0.00 -0.51 0.86 2.13 -1.26 -1.05 120.64 117.11 3hiy n GLU 176 Ca -0.05 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.83 3hiy n GLU 176 Cb 0.19 -1.07 0.10 0.00 0.27 0.00 0.00 31.44 30.93 3hiy n GLU 176 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hiy n ARG 177 N -0.55 0.79 -0.91 5.31 1.74 -0.51 -5.03 116.66 117.52 3hiy n ARG 177 Ca 0.00 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3hiy n ARG 177 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3hiy n ARG 177 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hiy n SER 178 N -0.69 -1.37 0.00 0.55 3.41 -0.21 -4.97 113.62 110.34 3hiy n SER 178 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3hiy n SER 178 Cb 0.74 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3hiy n SER 178 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hiy n THR 179 N -2.46 0.00 -2.41 6.66 -2.24 -0.98 -4.18 114.28 108.68 3hiy n THR 179 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3hiy n THR 179 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 3hiy n THR 179 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hiy s PHE 180 N 4.27 2.94 0.36 4.78 0.08 -0.80 -4.51 117.98 125.11 3hiy s PHE 180 Ca 0.00 0.29 0.08 0.00 0.12 0.00 0.00 56.93 57.42 3hiy s PHE 180 Cb 0.00 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 3hiy s PHE 180 CO 0.00 -1.11 0.23 0.54 -0.10 0.00 0.00 175.22 174.77 3hiy s ASN 181 N -4.45 4.88 0.31 1.36 2.20 -1.26 -1.40 114.94 116.59 3hiy s ASN 181 Ca 0.58 -0.72 0.09 0.00 -0.94 0.00 0.00 52.86 51.87 3hiy s ASN 181 Cb -0.11 -0.75 0.88 0.00 -2.00 0.00 0.00 41.25 39.27 3hiy s ASN 181 CO 0.42 -0.39 1.71 0.28 -2.94 0.00 0.00 177.10 176.17 3hiy h SER 182 N 1.37 0.53 -0.05 3.54 0.02 -1.96 -1.24 113.55 115.77 3hiy h SER 182 Ca -0.44 0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.43 3hiy h SER 182 Cb 1.25 0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.89 3hiy h SER 182 CO 0.62 0.02 -0.90 0.15 -1.14 0.00 0.00 176.83 175.58 3hiy h PHE 183 N 0.47 1.03 -0.92 3.45 3.57 -1.98 0.12 116.94 122.67 3hiy h PHE 183 Ca 0.64 -0.50 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hiy h PHE 183 Cb 1.26 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 3hiy h PHE 183 CO -0.05 1.33 0.60 1.15 -2.23 0.00 0.00 178.31 179.12 3hiy h THR 184 N 0.46 1.16 0.00 4.41 2.02 -1.57 -1.83 112.91 117.56 3hiy h THR 184 Ca -0.09 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.43 3hiy h THR 184 Cb 1.54 -0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3hiy h THR 184 CO 0.18 0.21 -1.03 0.58 0.37 0.00 0.00 175.52 175.83 3hiy h VAL 185 N 1.17 1.30 -0.67 3.16 2.07 -1.03 -2.18 116.25 120.08 3hiy h VAL 185 Ca 0.37 -2.29 0.10 0.00 0.82 0.00 0.00 66.70 65.70 3hiy h VAL 185 Cb -0.00 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3hiy h VAL 185 CO -0.12 0.70 0.30 0.74 0.02 0.00 0.00 177.57 179.21 3hiy h THR 186 N 0.36 0.79 0.00 2.57 2.02 -0.66 -1.20 112.91 116.80 3hiy h THR 186 Ca -0.12 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hiy h THR 186 Cb 1.68 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3hiy h THR 186 CO 0.20 0.09 0.00 0.41 0.37 0.00 0.00 175.52 176.59 3hiy n THR 187 N -4.93 0.27 0.00 3.16 -1.04 -0.70 -1.19 114.28 109.85 3hiy n THR 187 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3hiy n THR 187 Cb 0.29 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 3hiy n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hiy n ALA 189 N 0.66 0.00 0.04 2.41 0.00 -0.45 -4.70 120.51 118.47 3hiy n ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hiy n ALA 189 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3hiy n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hiy n LEU 190 N 0.00 2.24 0.00 0.00 4.77 -0.33 -2.90 117.00 120.78 3hiy n LEU 190 Ca 0.00 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3hiy n LEU 190 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3hiy n LEU 190 CO 0.00 0.41 0.00 0.52 -1.33 0.00 0.00 177.39 176.99 3hiy n VAL 192 N 1.36 0.00 0.01 4.08 0.31 -1.26 -2.04 118.33 120.79 3hiy n VAL 192 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3hiy n VAL 192 Cb 0.25 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.36 3hiy n VAL 192 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hiy h LEU 193 N 0.00 0.51 -0.41 7.52 3.38 -1.91 -1.87 115.31 122.52 3hiy h LEU 193 Ca 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hiy h LEU 193 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hiy h LEU 193 CO 0.00 0.78 0.26 1.56 0.09 0.00 0.00 178.44 181.13 3hiy h GLN 194 N 0.44 0.51 0.00 1.13 4.20 -1.58 0.70 115.11 120.51 3hiy h GLN 194 Ca 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hiy h GLN 194 Cb 0.73 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3hiy h GLN 194 CO 0.06 0.34 -0.09 0.93 -0.67 0.00 0.00 178.83 179.39 3hiy h GLU 195 N 0.53 0.00 -0.00 1.46 4.39 -1.80 0.07 114.58 119.23 3hiy h GLU 195 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3hiy h GLU 195 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3hiy h GLU 195 CO -0.05 0.09 -0.24 1.28 -1.16 0.00 0.00 179.01 178.93 3hiy n LEU 196 N -3.23 0.64 -0.08 1.33 4.77 -0.73 -4.93 117.00 114.77 3hiy n LEU 196 Ca 0.00 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 3hiy n LEU 196 Cb 0.36 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hiy n LEU 196 CO 0.30 0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 177.09 3hiy n GLY 197 N 1.37 0.42 0.60 -0.72 0.00 0.01 -4.93 105.19 101.95 3hiy n GLY 197 Ca 0.11 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.19 3hiy n GLY 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hiy n LEU 198 N -0.12 2.59 -3.59 0.99 4.77 0.24 -4.83 117.00 117.05 3hiy n LEU 198 Ca -0.01 -1.61 -0.16 0.00 -0.03 0.00 0.00 56.01 54.21 3hiy n LEU 198 Cb 0.15 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3hiy n LEU 198 CO 0.01 0.60 0.30 -0.22 -1.33 0.00 0.00 177.39 176.75 3hiy s LEU 199 N -0.99 -0.15 0.45 2.23 2.96 -0.98 -4.83 118.68 117.37 3hiy s LEU 199 Ca 0.20 0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 54.44 3hiy s LEU 199 Cb 0.12 2.13 -0.06 0.00 0.50 0.00 0.00 46.19 48.88 3hiy s LEU 199 CO 0.16 -0.60 0.82 -2.16 -1.32 0.00 0.00 176.35 173.25 3hiy s PRO 200 N -1.56 3.73 -0.26 0.98 0.04 -1.26 -4.23 135.00 132.44 3hiy s PRO 200 Ca -0.10 0.50 -0.23 0.00 0.04 0.00 0.00 61.00 61.20 3hiy s PRO 200 Cb -0.01 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3hiy s PRO 200 CO 0.05 -0.15 0.77 0.08 0.04 0.00 0.00 177.00 177.80 3hiy s VAL 201 N -2.55 4.86 -1.51 -0.36 1.01 -1.26 -4.90 120.40 115.69 3hiy s VAL 201 Ca 0.52 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.76 3hiy s VAL 201 Cb -0.10 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 3hiy s VAL 201 CO 0.36 -0.10 2.69 0.49 0.00 0.00 0.00 175.10 178.55 3hiy n PHE 202 N 5.99 2.58 0.68 5.22 3.72 -0.47 -4.74 117.46 130.44 3hiy n PHE 202 Ca 0.04 -3.00 0.10 0.00 -0.05 0.00 0.00 57.45 54.54 3hiy n PHE 202 Cb 0.48 -2.28 0.42 0.00 -0.94 0.00 0.00 39.48 37.16 3hiy n PHE 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hiy n SER 203 N 3.23 0.01 -3.38 4.37 3.41 -1.20 -4.15 113.62 115.92 3hiy n SER 203 Ca 0.70 0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 59.56 3hiy n SER 203 Cb 0.25 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 3hiy n SER 203 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hiy n LYS 204 N -1.51 1.64 -1.71 4.33 4.81 -1.26 -4.94 118.16 119.51 3hiy n LYS 204 Ca 0.05 -4.02 -0.33 0.00 -0.87 0.00 0.00 58.31 53.13 3hiy n LYS 204 Cb 0.23 -1.84 0.05 0.00 0.02 0.00 0.00 35.03 33.50 3hiy n LYS 204 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3hiy s PRO 205 N -1.74 2.72 0.00 1.64 0.04 -1.26 -4.97 135.00 131.42 3hiy s PRO 205 Ca 0.36 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3hiy s PRO 205 Cb 0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3hiy s PRO 205 CO -0.07 -1.32 0.93 0.25 0.04 0.00 0.00 177.00 176.82 3hiy n THR 206 N -2.48 0.00 -1.12 1.26 -2.24 -1.06 -4.86 114.28 103.78 3hiy n THR 206 Ca 0.11 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 3hiy n THR 206 Cb 0.52 0.43 0.12 0.00 -2.10 0.00 0.00 70.33 69.30 3hiy n THR 206 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hiy s GLY 207 N -0.86 1.83 0.56 3.38 0.00 0.86 -4.88 107.32 108.21 3hiy s GLY 207 Ca 0.00 0.52 0.31 0.00 0.00 0.00 0.00 44.72 45.55 3hiy s GLY 207 CO -0.00 0.90 1.85 0.83 0.00 0.00 0.00 173.10 176.68 3hiy h GLU 208 N -1.17 0.00 -0.15 2.90 5.08 -1.99 0.30 114.58 119.56 3hiy h GLU 208 Ca -0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3hiy h GLU 208 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3hiy h GLU 208 CO 0.48 0.00 -0.05 1.19 -1.00 0.00 0.00 179.01 179.62 3hiy n PHE 209 N -4.04 0.51 -0.98 4.33 3.72 -1.26 -4.93 117.46 114.80 3hiy n PHE 209 Ca 0.17 -1.08 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 3hiy n PHE 209 Cb 0.95 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3hiy n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hiy n GLY 210 N -1.01 0.55 3.88 1.37 0.00 0.10 -4.60 105.19 105.48 3hiy n GLY 210 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3hiy n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hiy s GLU 211 N -0.21 3.14 0.19 1.61 4.04 -1.26 -4.64 118.70 121.58 3hiy s GLU 211 Ca 0.00 0.49 -0.30 0.00 0.04 0.00 0.00 54.97 55.20 3hiy s GLU 211 Cb 0.00 -2.09 -0.08 0.00 0.02 0.00 0.00 34.13 31.98 3hiy s GLU 211 CO 0.00 -0.80 1.12 -1.17 -1.84 0.00 0.00 175.26 172.57 3hiy s LEU 212 N -5.23 4.49 0.26 1.83 2.96 -0.15 -0.10 118.68 122.75 3hiy s LEU 212 Ca 0.56 2.14 0.08 0.00 -0.22 0.00 0.00 54.13 56.69 3hiy s LEU 212 Cb -0.11 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3hiy s LEU 212 CO 0.51 -0.24 0.15 0.42 -1.32 0.00 0.00 176.35 175.87 3hiy s THR 213 N -0.31 4.10 0.27 3.68 -4.23 -1.26 -4.46 115.64 113.43 3hiy s THR 213 Ca 0.49 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3hiy s THR 213 Cb -0.30 -3.24 0.26 0.00 1.34 0.00 0.00 72.50 70.56 3hiy s THR 213 CO 0.36 -0.34 1.74 0.58 -0.54 0.00 0.00 174.62 176.41 3hiy h VAL 214 N 1.58 0.64 -0.93 2.29 2.07 -1.97 -0.96 116.25 118.97 3hiy h VAL 214 Ca -0.47 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3hiy h VAL 214 Cb 1.24 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3hiy h VAL 214 CO 0.61 0.10 0.55 0.00 0.02 0.00 0.00 177.57 178.85 3hiy h ALA 215 N 1.61 1.18 -0.44 1.67 0.00 -1.99 0.23 119.26 121.51 3hiy h ALA 215 Ca 0.49 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.34 3hiy h ALA 215 Cb 0.79 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hiy h ALA 215 CO -0.42 0.64 0.21 -0.44 0.00 0.00 0.00 179.25 179.24 3hiy h ASP 216 N 1.28 0.30 -0.10 0.00 3.32 -1.60 -3.22 116.42 116.40 3hiy h ASP 216 Ca 0.33 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 3hiy h ASP 216 Cb -0.05 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hiy h ASP 216 CO -0.06 0.22 -0.13 0.00 -1.72 0.00 0.00 179.24 177.55 3hiy h ALA 217 N 1.24 0.15 0.00 3.45 0.00 -0.25 -2.79 119.26 121.05 3hiy h ALA 217 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hiy h ALA 217 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hiy h ALA 217 CO -0.14 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.51 3hiy n GLU 218 N -4.61 0.00 0.00 0.00 1.02 0.69 -1.14 120.64 116.60 3hiy n GLU 218 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3hiy n GLU 218 Cb 0.36 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3hiy n GLU 218 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hiy n LEU 220 N 0.95 0.00 0.31 -4.62 7.94 -1.06 -1.20 117.00 119.32 3hiy n LEU 220 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 3hiy n LEU 220 Cb 0.00 0.00 0.95 0.00 0.53 0.00 0.00 43.42 44.90 3hiy n LEU 220 CO 0.00 0.00 1.09 -0.07 -1.11 0.00 0.00 177.39 177.30 3hiy h LEU 221 N 0.00 0.00 -0.14 -1.96 3.38 -1.41 -0.50 115.31 114.68 3hiy h LEU 221 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3hiy h LEU 221 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hiy h LEU 221 CO 0.00 0.01 -0.98 1.56 0.09 0.00 0.00 178.44 179.12 3hiy h GLN 222 N 0.00 0.33 0.00 1.13 4.20 -1.41 -3.30 115.11 116.06 3hiy h GLN 222 Ca -0.00 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 3hiy h GLN 222 Cb 0.25 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3hiy h GLN 222 CO 0.00 1.09 -0.29 1.49 -0.67 0.00 0.00 178.83 180.45 3hiy h GLU 223 N 0.17 0.00 -6.56 1.46 4.57 -1.50 -3.46 114.58 109.26 3hiy h GLU 223 Ca -0.08 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.57 3hiy h GLU 223 Cb 1.63 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.23 3hiy h GLU 223 CO 0.16 0.16 0.54 0.12 -1.18 0.00 0.00 179.01 178.81 3hiy s PHE 224 N -3.14 3.46 -0.06 0.92 5.36 -0.32 -5.04 117.98 119.17 3hiy s PHE 224 Ca 0.05 1.39 0.05 0.00 -0.96 0.00 0.00 56.93 57.46 3hiy s PHE 224 Cb 0.06 -3.40 -0.01 0.00 -0.34 0.00 0.00 43.02 39.34 3hiy s PHE 224 CO 0.71 -1.13 -0.22 0.15 -1.46 0.00 0.00 175.22 173.27 3hiy s LYS 225 N 0.47 2.35 0.69 10.12 -0.14 -1.26 -4.96 119.74 126.99 3hiy s LYS 225 Ca 0.55 -0.79 -0.14 0.00 -1.36 0.00 0.00 55.97 54.23 3hiy s LYS 225 Cb -0.30 -1.96 0.01 0.00 -1.68 0.00 0.00 37.83 33.90 3hiy s LYS 225 CO 0.32 0.30 1.11 -0.51 -0.76 0.00 0.00 175.35 175.81 3hiy s LEU 226 N -0.00 3.31 0.49 3.17 1.43 -1.26 -5.00 118.68 120.82 3hiy s LEU 226 Ca -0.06 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 3hiy s LEU 226 Cb -0.14 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.44 3hiy s LEU 226 CO 0.04 -1.76 0.84 -2.65 0.23 0.00 0.00 176.35 173.05 3hiy n PRO 227 N -2.67 0.98 -0.29 1.29 -0.02 -1.26 -4.88 135.00 128.16 3hiy n PRO 227 Ca 0.10 0.36 0.20 0.00 -2.02 0.00 0.00 63.50 62.14 3hiy n PRO 227 Cb 0.52 -1.93 0.49 0.00 -0.02 0.00 0.00 33.50 32.56 3hiy n PRO 227 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hiy h PRO 228 N 0.97 0.43 -0.04 0.52 0.11 -2.04 -0.81 132.00 131.14 3hiy h PRO 228 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3hiy h PRO 228 Cb 1.36 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hiy h PRO 228 CO 0.53 0.29 0.09 0.97 -0.21 0.00 0.00 178.00 179.67 3hiy h ILE 229 N 0.45 0.23 0.00 4.15 6.09 -2.04 -2.47 117.51 123.92 3hiy h ILE 229 Ca 0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 3hiy h ILE 229 Cb 1.27 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.47 3hiy h ILE 229 CO -0.24 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.72 3hiy h TYR 230 N 0.00 0.00 0.00 2.19 0.05 -1.48 -2.87 116.97 114.86 3hiy h TYR 230 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3hiy h TYR 230 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3hiy h TYR 230 CO 0.00 0.00 -0.02 -0.44 -1.05 0.00 0.00 178.16 176.65 3hiy h ASP 231 N 0.00 0.00 0.27 3.88 3.32 -1.65 -2.65 116.42 119.59 3hiy h ASP 231 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hiy h ASP 231 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hiy h ASP 231 CO 0.00 0.00 -0.04 -1.54 -1.72 0.00 0.00 179.24 175.94 3hiy n SER 232 N -2.70 0.29 -0.77 6.45 3.41 -1.08 -4.09 113.62 115.13 3hiy n SER 232 Ca 0.05 -0.67 0.13 0.00 -0.26 0.00 0.00 58.87 58.11 3hiy n SER 232 Cb 0.48 -0.10 0.27 0.00 -0.26 0.00 0.00 64.21 64.61 3hiy n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hiy n LEU 233 N -0.96 2.40 0.13 1.04 4.32 -1.00 -4.31 117.00 118.62 3hiy n LEU 233 Ca 0.18 -0.81 0.05 0.00 -0.02 0.00 0.00 56.01 55.41 3hiy n LEU 233 Cb 0.22 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.05 3hiy n LEU 233 CO 0.21 0.40 0.36 0.45 -1.22 0.00 0.00 177.39 177.59 3hiy h HIS 234 N 3.74 0.00 0.00 -1.77 3.86 -1.73 -3.33 115.15 115.92 3hiy h HIS 234 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hiy h HIS 234 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3hiy h HIS 234 CO 0.01 0.35 -0.07 -0.25 0.86 0.00 0.00 177.93 178.83 3hiy n ASP 235 N -3.08 1.74 -3.56 2.45 9.92 -1.26 -4.93 116.55 117.84 3hiy n ASP 235 Ca 0.00 -2.45 -0.29 0.00 -0.53 0.00 0.00 54.79 51.52 3hiy n ASP 235 Cb 0.69 -0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.79 3hiy n ASP 235 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hiy s ASP 236 N -1.84 3.44 0.54 -2.24 -1.08 -1.25 -5.00 116.67 109.23 3hiy s ASP 236 Ca 0.16 -1.74 0.31 0.00 -0.52 0.00 0.00 52.55 50.76 3hiy s ASP 236 Cb 0.14 -0.50 1.53 0.00 -1.46 0.00 0.00 42.92 42.63 3hiy s ASP 236 CO 0.01 -0.38 2.07 0.44 0.52 0.00 0.00 175.17 177.84 3hiy h ASP 237 N 7.78 0.00 -0.18 -0.34 5.19 -1.92 -0.68 116.42 126.27 3hiy h ASP 237 Ca -0.09 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.13 3hiy h ASP 237 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3hiy h ASP 237 CO 0.39 0.09 -0.61 -0.08 -3.12 0.00 0.00 179.24 175.91 3hiy h GLU 238 N 0.00 0.79 -0.09 3.56 4.81 -1.95 -1.58 114.58 120.12 3hiy h GLU 238 Ca -0.00 -0.53 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 3hiy h GLU 238 Cb 0.36 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3hiy h GLU 238 CO 0.01 1.16 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.98 3hiy h LYS 239 N 0.59 0.33 0.04 1.92 3.64 -1.80 -2.70 116.57 118.58 3hiy h LYS 239 Ca -0.00 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3hiy h LYS 239 Cb 1.21 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3hiy h LYS 239 CO 0.13 0.85 -0.02 1.25 -2.27 0.00 0.00 179.45 179.39 3hiy h LEU 240 N -0.14 -0.04 -1.45 5.20 5.85 -1.23 -1.52 115.31 121.99 3hiy h LEU 240 Ca -0.01 -0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.90 3hiy h LEU 240 Cb 0.86 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 3hiy h LEU 240 CO 0.05 0.01 0.63 1.23 -0.34 0.00 0.00 178.44 180.02 3hiy h GLY 241 N -0.09 1.01 0.88 3.75 0.00 -1.36 0.18 103.07 107.43 3hiy h GLY 241 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3hiy h GLY 241 CO 0.01 -0.04 0.02 0.83 0.00 0.00 0.00 176.54 177.36 3hiy h GLU 242 N 0.42 0.50 -0.31 4.80 4.39 -0.99 0.99 114.58 124.39 3hiy h GLU 242 Ca 0.52 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 3hiy h GLU 242 Cb 1.27 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3hiy h GLU 242 CO -0.22 0.63 0.13 0.00 -1.16 0.00 0.00 179.01 178.40 3hiy h ALA 243 N 0.85 0.40 -0.60 3.43 0.00 -0.03 0.26 119.26 123.56 3hiy h ALA 243 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hiy h ALA 243 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hiy h ALA 243 CO 0.01 -0.02 0.39 0.28 0.00 0.00 0.00 179.25 179.91 3hiy h VAL 244 N 0.35 1.16 -0.56 0.00 2.07 -0.68 -1.37 116.25 117.22 3hiy h VAL 244 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3hiy h VAL 244 Cb 0.16 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3hiy h VAL 244 CO -0.01 0.16 0.31 0.15 0.02 0.00 0.00 177.57 178.19 3hiy h PHE 245 N 0.82 0.78 -0.27 1.57 3.57 -0.62 0.48 116.94 123.27 3hiy h PHE 245 Ca 0.22 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3hiy h PHE 245 Cb -0.08 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.35 3hiy h PHE 245 CO -0.03 0.57 -0.16 0.35 -2.23 0.00 0.00 178.31 176.81 3hiy h PHE 246 N 0.76 -0.40 -0.49 0.41 3.57 -0.41 -0.10 116.94 120.27 3hiy h PHE 246 Ca 0.20 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hiy h PHE 246 Cb 0.05 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3hiy h PHE 246 CO -0.01 -0.23 0.12 0.00 -2.23 0.00 0.00 178.31 175.95 3hiy h LEU 248 N 0.72 0.56 -0.17 0.00 3.38 -0.41 0.27 115.31 119.67 3hiy h LEU 248 Ca 0.16 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hiy h LEU 248 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hiy h LEU 248 CO -0.00 0.56 -0.04 1.56 0.09 0.00 0.00 178.44 180.60 3hiy h GLN 249 N 0.54 -0.00 -0.37 1.13 4.20 -0.41 0.29 115.11 120.49 3hiy h GLN 249 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3hiy h GLN 249 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hiy h GLN 249 CO -0.01 -0.00 0.16 0.00 -0.67 0.00 0.00 178.83 178.30 3hiy h ARG 250 N -0.00 0.51 -0.03 1.46 2.47 -0.86 -0.06 114.38 117.87 3hiy h ARG 250 Ca 0.08 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3hiy h ARG 250 Cb 0.13 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3hiy h ARG 250 CO -0.18 0.42 -0.01 0.35 0.56 0.00 0.00 179.97 181.11 3hiy h PHE 251 N 0.52 0.06 -0.35 3.04 3.57 0.20 0.24 116.94 124.22 3hiy h PHE 251 Ca 0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3hiy h PHE 251 Cb 0.08 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3hiy h PHE 251 CO 0.00 0.43 0.12 0.00 -2.23 0.00 0.00 178.31 176.63 3hiy h ALA 252 N 0.62 0.41 0.73 2.41 0.00 -0.13 -2.81 119.26 120.48 3hiy h ALA 252 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hiy h ALA 252 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hiy h ALA 252 CO 0.00 -0.28 -0.44 1.49 0.00 0.00 0.00 179.25 180.02 3hiy h GLU 253 N 0.26 -1.06 -0.46 0.00 4.81 -1.01 -2.78 114.58 114.35 3hiy h GLU 253 Ca 0.16 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 3hiy h GLU 253 Cb 0.14 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 3hiy h GLU 253 CO -0.17 -0.70 -0.45 -0.92 -0.73 0.00 0.00 179.01 176.03 3hiy h TYR 254 N -1.10 -1.32 0.00 0.92 3.20 -0.79 -1.48 116.97 116.40 3hiy h TYR 254 Ca -0.09 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hiy h TYR 254 Cb 0.88 0.64 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3hiy h TYR 254 CO -0.10 -0.44 0.00 0.66 -1.64 0.00 0.00 178.16 176.64 3hiy n TYR 255 N -5.41 0.00 0.10 -3.82 4.01 -1.08 -0.49 117.16 110.48 3hiy n TYR 255 Ca -0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 3hiy n TYR 255 Cb 0.35 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 3hiy n TYR 255 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hiy h ALA 256 N 3.41 0.52 -0.00 -0.72 0.00 -0.98 -3.39 119.26 118.10 3hiy h ALA 256 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hiy h ALA 256 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hiy h ALA 256 CO 0.00 0.95 -0.06 0.36 0.00 0.00 0.00 179.25 180.50 3hiy n LYS 257 N -3.31 2.07 -2.29 0.00 2.85 -0.83 -4.88 118.16 111.78 3hiy n LYS 257 Ca 0.01 -0.43 -0.42 0.00 -1.05 0.00 0.00 58.31 56.41 3hiy n LYS 257 Cb 0.83 -0.91 -0.03 0.00 -0.65 0.00 0.00 35.03 34.28 3hiy n LYS 257 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3hiy s TYR 258 N -0.71 3.02 -0.81 5.58 5.04 0.36 -4.95 117.35 124.87 3hiy s TYR 258 Ca 0.03 0.96 -0.26 0.00 -2.44 0.00 0.00 57.07 55.37 3hiy s TYR 258 Cb 0.03 -3.59 0.02 0.00 0.35 0.00 0.00 41.96 38.77 3hiy s TYR 258 CO 0.08 -2.09 1.49 0.16 -1.34 0.00 0.00 175.55 173.85 3hiy s ASP 259 N 1.64 5.99 0.26 4.32 -4.77 -1.26 -4.78 116.67 118.07 3hiy s ASP 259 Ca 0.62 -0.61 0.25 0.00 -3.30 0.00 0.00 52.55 49.51 3hiy s ASP 259 Cb -0.30 -2.56 0.59 0.00 -1.09 0.00 0.00 42.92 39.56 3hiy s ASP 259 CO 0.26 -1.94 1.64 -0.26 0.70 0.00 0.00 175.17 175.57 3hiy h PHE 260 N 10.95 0.00 0.00 2.11 0.04 -1.93 -1.15 116.94 126.96 3hiy h PHE 260 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3hiy h PHE 260 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3hiy h PHE 260 CO 1.16 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 179.53 3hiy h SER 261 N 0.00 0.00 0.00 2.17 4.64 -1.89 -3.31 113.55 115.15 3hiy h SER 261 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hiy h SER 261 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3hiy h SER 261 CO 0.00 0.00 -0.78 0.00 -0.87 0.00 0.00 176.83 175.18 3hiy n ALA 262 N -1.92 2.76 -2.11 5.18 0.00 -1.20 -4.89 120.51 118.32 3hiy n ALA 262 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3hiy n ALA 262 Cb 0.16 0.36 0.02 0.00 0.00 0.00 0.00 19.45 20.00 3hiy n ALA 262 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hiy s GLY 263 N -4.70 1.77 0.37 0.00 0.00 -0.44 0.13 107.32 104.45 3hiy s GLY 263 Ca -0.04 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 43.39 3hiy s GLY 263 CO 0.06 -1.13 0.02 -0.51 0.00 0.00 0.00 173.10 171.54 3hiy s THR 264 N -2.58 1.71 -0.18 0.90 -4.23 -0.23 -4.38 115.64 106.65 3hiy s THR 264 Ca 0.54 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 3hiy s THR 264 Cb -0.10 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3hiy s THR 264 CO 0.37 -0.03 0.09 -0.69 -0.54 0.00 0.00 174.62 173.82 3hiy s VAL 265 N -2.93 5.09 -0.25 2.29 1.01 0.16 -2.89 120.40 122.89 3hiy s VAL 265 Ca 0.35 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3hiy s VAL 265 Cb 0.09 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.24 3hiy s VAL 265 CO 0.17 0.47 0.64 -0.55 0.00 0.00 0.00 175.10 175.82 3hiy s SER 266 N 0.23 -0.73 0.09 3.32 0.15 -1.26 -1.04 113.70 114.45 3hiy s SER 266 Ca 0.06 1.32 0.25 0.00 0.70 0.00 0.00 55.95 58.29 3hiy s SER 266 Cb -0.12 1.29 0.60 0.00 -1.71 0.00 0.00 66.02 66.08 3hiy s SER 266 CO -0.00 -0.23 1.51 0.18 1.20 0.00 0.00 173.24 175.90 3hiy n LEU 267 N 3.27 0.57 -0.07 3.45 4.77 -1.26 -3.21 117.00 124.52 3hiy n LEU 267 Ca -0.16 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 3hiy n LEU 267 Cb 0.56 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 3hiy n LEU 267 CO 0.04 -0.02 -0.53 0.40 -1.33 0.00 0.00 177.39 175.94 3hiy h ILE 268 N 0.00 0.91 -2.44 -0.08 2.04 -1.95 -1.25 117.51 114.74 3hiy h ILE 268 Ca 0.00 -2.24 -0.59 0.00 1.00 0.00 0.00 64.86 63.02 3hiy h ILE 268 Cb 0.65 2.39 -0.38 0.00 -0.74 0.00 0.00 36.82 38.73 3hiy h ILE 268 CO 0.00 0.49 -0.93 1.57 0.00 0.00 0.00 178.15 179.28 3hiy n HIS 269 N -4.19 -0.46 -1.59 1.37 -0.00 -1.26 -3.22 115.22 105.87 3hiy n HIS 269 Ca -0.30 -3.42 -0.49 0.00 -0.00 0.00 0.00 57.72 53.51 3hiy n HIS 269 Cb 0.77 0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.89 3hiy n HIS 269 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3hiy n PRO 270 N 2.72 1.23 -1.13 1.57 -0.02 -1.20 -1.41 135.00 136.77 3hiy n PRO 270 Ca 0.29 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 62.16 3hiy n PRO 270 Cb 0.47 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 3hiy n PRO 270 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hiy n ARG 271 N 1.80 -0.90 -1.72 -0.52 1.74 -1.14 -4.96 116.66 110.97 3hiy n ARG 271 Ca 0.15 0.50 -0.43 0.00 -0.77 0.00 0.00 57.85 57.30 3hiy n ARG 271 Cb 0.25 -4.34 -0.02 0.00 -1.02 0.00 0.00 32.46 27.33 3hiy n ARG 271 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hiy n ARG 272 N -1.68 2.44 -1.93 5.56 0.63 -0.50 -4.30 116.66 116.88 3hiy n ARG 272 Ca -0.04 0.87 -0.37 0.00 -0.92 0.00 0.00 57.85 57.38 3hiy n ARG 272 Cb 0.29 -2.60 0.03 0.00 0.45 0.00 0.00 32.46 30.63 3hiy n ARG 272 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hiy s HIS 273 N -0.03 2.40 0.24 -0.14 5.65 -1.26 -1.07 115.29 121.08 3hiy s HIS 273 Ca 0.65 1.45 -0.05 0.00 0.25 0.00 0.00 55.06 57.37 3hiy s HIS 273 Cb -0.55 -3.63 0.39 0.00 -1.18 0.00 0.00 32.58 27.61 3hiy s HIS 273 CO 0.49 -2.46 1.78 0.00 -0.65 0.00 0.00 174.74 173.90 3hiy h ARG 274 N 1.32 0.61 0.00 2.88 3.08 0.74 -0.56 114.38 122.45 3hiy h ARG 274 Ca -0.50 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 3hiy h ARG 274 Cb 1.29 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3hiy h ARG 274 CO 0.57 0.40 -0.21 1.79 -1.07 0.00 0.00 179.97 181.45 3hiy h THR 275 N 0.63 0.43 0.02 2.04 1.35 -1.89 -0.27 112.91 115.22 3hiy h THR 275 Ca 0.38 -1.28 -0.25 0.00 -0.55 0.00 0.00 66.41 64.72 3hiy h THR 275 Cb 0.43 1.95 0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3hiy h THR 275 CO -0.29 0.21 -0.98 0.58 -0.25 0.00 0.00 175.52 174.79 3hiy h VAL 276 N 0.00 1.31 -0.81 6.82 2.07 -1.67 -2.86 116.25 121.11 3hiy h VAL 276 Ca -0.00 -2.24 0.10 0.00 0.82 0.00 0.00 66.70 65.37 3hiy h VAL 276 Cb 0.93 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 33.11 3hiy h VAL 276 CO 0.03 0.68 0.45 0.22 0.02 0.00 0.00 177.57 178.98 3hiy h TYR 277 N 0.26 0.82 -0.75 1.57 3.20 -0.67 0.61 116.97 122.02 3hiy h TYR 277 Ca -0.13 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.89 3hiy h TYR 277 Cb 1.65 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.59 3hiy h TYR 277 CO 0.12 0.33 0.36 1.49 -1.64 0.00 0.00 178.16 178.81 3hiy h GLU 278 N 0.76 0.55 -0.02 1.82 4.81 -1.01 0.31 114.58 121.81 3hiy h GLU 278 Ca 0.39 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.40 3hiy h GLU 278 Cb 0.37 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hiy h GLU 278 CO -0.25 0.37 -0.81 -0.09 -0.73 0.00 0.00 179.01 177.50 3hiy h ARG 279 N 0.57 0.26 -0.65 1.92 9.65 -1.06 -1.39 114.38 123.68 3hiy h ARG 279 Ca 0.39 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.95 3hiy h ARG 279 Cb 0.48 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 3hiy h ARG 279 CO -0.32 0.94 0.14 0.28 2.80 0.00 0.00 179.97 183.81 3hiy h VAL 280 N 0.16 1.26 -0.27 0.20 2.07 0.29 -1.42 116.25 118.53 3hiy h VAL 280 Ca -0.04 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3hiy h VAL 280 Cb 1.40 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3hiy h VAL 280 CO 0.13 0.36 0.04 0.58 0.02 0.00 0.00 177.57 178.71 3hiy h VAL 281 N 0.97 1.23 -0.96 2.57 2.07 -0.32 -0.73 116.25 121.08 3hiy h VAL 281 Ca 0.20 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3hiy h VAL 281 Cb 0.38 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3hiy h VAL 281 CO 0.01 0.25 0.63 0.03 0.02 0.00 0.00 177.57 178.51 3hiy h ARG 282 N 0.27 1.15 -0.20 1.57 3.08 -1.04 0.23 114.38 119.45 3hiy h ARG 282 Ca 0.08 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3hiy h ARG 282 Cb 0.33 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hiy h ARG 282 CO 0.01 0.76 -0.36 -0.09 -1.07 0.00 0.00 179.97 179.22 3hiy h ARG 283 N 1.19 0.59 0.14 0.04 2.43 -1.10 -1.91 114.38 115.76 3hiy h ARG 283 Ca 0.39 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hiy h ARG 283 Cb 0.05 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3hiy h ARG 283 CO -0.13 0.99 -0.24 1.25 -1.51 0.00 0.00 179.97 180.33 3hiy h HIS 284 N 0.27 -0.63 0.00 2.20 2.76 -0.46 -1.66 115.15 117.63 3hiy h HIS 284 Ca 0.01 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3hiy h HIS 284 Cb 0.95 0.26 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 3hiy h HIS 284 CO 0.09 -0.34 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.17 3hiy h LEU 285 N -0.45 0.00 -0.43 0.26 3.38 -0.61 0.21 115.31 117.67 3hiy h LEU 285 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3hiy h LEU 285 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hiy h LEU 285 CO -0.12 0.14 -0.31 -0.33 0.09 0.00 0.00 178.44 177.91 3hiy h GLU 286 N 0.00 0.97 -0.42 1.13 5.08 -0.92 0.46 114.58 120.88 3hiy h GLU 286 Ca -0.00 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.75 3hiy h GLU 286 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3hiy h GLU 286 CO 0.02 1.13 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.78 3hiy h LEU 287 N 0.80 0.99 -0.21 1.33 3.38 -0.30 -2.71 115.31 118.58 3hiy h LEU 287 Ca 0.08 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3hiy h LEU 287 Cb 0.90 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hiy h LEU 287 CO 0.08 1.21 -0.39 0.25 0.09 0.00 0.00 178.44 179.69 3hiy h LEU 288 N 0.79 0.71 -0.95 1.67 6.46 -0.51 -2.83 115.31 120.65 3hiy h LEU 288 Ca 0.08 -0.54 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 3hiy h LEU 288 Cb 0.89 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 3hiy h LEU 288 CO 0.08 1.11 0.62 1.23 -0.62 0.00 0.00 178.44 180.87 3hiy h GLY 289 N 0.33 1.38 0.96 3.75 0.00 -0.06 0.11 103.07 109.55 3hiy h GLY 289 Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 3hiy h GLY 289 CO 0.09 0.41 -0.96 1.48 0.00 0.00 0.00 176.54 177.56 3hiy h SER 290 N 1.21 0.68 -0.30 0.19 4.64 -1.47 -1.11 113.55 117.39 3hiy h SER 290 Ca 0.38 -0.84 0.07 0.00 -0.47 0.00 0.00 61.79 60.92 3hiy h SER 290 Cb -0.01 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 61.79 3hiy h SER 290 CO -0.12 1.45 -0.27 -0.09 -0.87 0.00 0.00 176.83 176.94 3hiy h ARG 291 N -0.00 -0.24 -0.35 4.77 9.65 -1.33 -0.42 114.38 126.46 3hiy h ARG 291 Ca -0.15 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.83 3hiy h ARG 291 Cb 1.68 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 30.23 3hiy h ARG 291 CO 0.18 -0.16 -0.22 -0.22 2.80 0.00 0.00 179.97 182.36 3hiy h LYS 292 N -0.25 -0.16 -0.74 0.20 3.64 -0.92 -1.11 116.57 117.23 3hiy h LYS 292 Ca 0.15 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 3hiy h LYS 292 Cb 0.49 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 3hiy h LYS 292 CO -0.44 -0.11 0.39 -0.09 -2.27 0.00 0.00 179.45 176.93 3hiy h ARG 293 N -0.17 0.65 -0.83 1.90 2.43 -0.92 -0.42 114.38 117.03 3hiy h ARG 293 Ca 0.17 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hiy h ARG 293 Cb 0.44 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3hiy h ARG 293 CO -0.45 0.43 0.37 1.25 -1.51 0.00 0.00 179.97 180.07 3hiy h LEU 294 N 0.67 1.11 -0.19 3.80 6.46 -0.07 -2.04 115.31 125.05 3hiy h LEU 294 Ca 0.35 -0.15 -0.18 0.00 -0.12 0.00 0.00 57.88 57.79 3hiy h LEU 294 Cb 0.33 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3hiy h LEU 294 CO -0.25 0.95 -0.57 -0.33 -0.62 0.00 0.00 178.44 177.63 3hiy h GLU 295 N 1.19 0.73 -0.77 1.25 4.39 -0.46 -1.84 114.58 119.07 3hiy h GLU 295 Ca 0.28 -0.52 0.04 0.00 0.34 0.00 0.00 59.36 59.50 3hiy h GLU 295 Cb 0.16 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 3hiy h GLU 295 CO -0.03 1.15 0.47 -1.49 -1.16 0.00 0.00 179.01 177.95 3hiy h TRP 296 N 0.44 0.88 -0.42 4.33 4.06 -1.08 -1.19 115.95 122.97 3hiy h TRP 296 Ca -0.02 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 3hiy h TRP 296 Cb 1.19 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.05 3hiy h TRP 296 CO 0.09 0.47 -0.04 1.49 -3.56 0.00 0.00 178.44 176.90 3hiy h GLU 297 N 0.90 0.70 -0.31 0.49 4.57 -1.14 -0.20 114.58 119.57 3hiy h GLU 297 Ca 0.32 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.19 3hiy h GLU 297 Cb 0.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3hiy h GLU 297 CO -0.14 0.74 -0.29 0.87 -1.18 0.00 0.00 179.01 179.01 3hiy h LYS 298 N 0.65 0.75 -0.48 1.92 1.57 -0.89 -0.92 116.57 119.16 3hiy h LYS 298 Ca 0.13 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3hiy h LYS 298 Cb 0.46 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3hiy h LYS 298 CO 0.02 1.00 0.30 1.25 -0.57 0.00 0.00 179.45 181.46 3hiy h HIS 299 N 0.51 0.56 -0.54 -1.35 2.76 -1.04 -2.76 115.15 113.29 3hiy h HIS 299 Ca 0.05 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3hiy h HIS 299 Cb 0.86 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 3hiy h HIS 299 CO 0.07 0.33 0.24 0.82 -1.30 0.00 0.00 177.93 178.10 3hiy h ILE 300 N 0.60 1.21 -0.23 6.26 2.04 -0.90 0.17 117.51 126.65 3hiy h ILE 300 Ca 0.19 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.50 3hiy h ILE 300 Cb -0.01 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3hiy h ILE 300 CO -0.07 0.24 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3hiy h ALA 301 N 1.08 2.10 0.00 1.87 0.00 -1.01 -1.79 119.26 121.51 3hiy h ALA 301 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hiy h ALA 301 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hiy h ALA 301 CO -0.02 -0.31 -1.19 0.39 0.00 0.00 0.00 179.25 178.12 3hiy n GLU 302 N -4.26 0.44 -3.28 0.00 -0.58 -0.72 -4.47 120.64 107.78 3hiy n GLU 302 Ca 0.03 -0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.51 3hiy n GLU 302 Cb 0.33 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 3hiy n GLU 302 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hiy n HIS 303 N -2.21 0.49 -0.31 -0.32 8.25 0.51 -5.00 115.22 116.63 3hiy n HIS 303 Ca 0.00 -3.68 0.21 0.00 -0.26 0.00 0.00 57.72 54.00 3hiy n HIS 303 Cb 0.49 -0.34 0.49 0.00 1.12 0.00 0.00 29.99 31.75 3hiy n HIS 303 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hiy h LYS 304 N 4.23 0.42 0.00 -0.41 1.79 -1.59 0.22 116.57 121.23 3hiy h LYS 304 Ca 0.12 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3hiy h LYS 304 Cb 0.83 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3hiy h LYS 304 CO 0.54 0.28 0.00 1.05 -1.08 0.00 0.00 179.45 180.23 3hiy h GLU 305 N 0.43 0.00 -0.00 3.15 9.09 -1.94 0.15 114.58 125.45 3hiy h GLU 305 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3hiy h GLU 305 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 3hiy h GLU 305 CO -0.29 0.00 -0.02 -0.25 0.05 0.00 0.00 179.01 178.50 3hiy n ASP 306 N -2.48 0.11 -2.43 3.06 8.00 0.77 -4.91 116.55 118.68 3hiy n ASP 306 Ca 0.01 -0.44 -0.03 0.00 0.71 0.00 0.00 54.79 55.03 3hiy n ASP 306 Cb 0.21 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3hiy n ASP 306 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hiy n GLY 307 N 1.22 2.30 3.77 0.44 0.00 0.04 -4.82 105.19 108.13 3hiy n GLY 307 Ca 0.17 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3hiy n GLY 307 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hiy s PRO 308 N -2.37 -0.29 -0.07 1.61 0.04 -1.26 -5.01 135.00 127.64 3hiy s PRO 308 Ca 0.07 -0.26 -0.29 0.00 0.04 0.00 0.00 61.00 60.57 3hiy s PRO 308 Cb -0.01 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 3hiy s PRO 308 CO 0.05 -3.06 2.04 -1.17 0.04 0.00 0.00 177.00 174.89 3hiy s LEU 309 N -6.41 4.04 -0.47 -3.56 0.20 -1.26 -4.90 118.68 106.32 3hiy s LEU 309 Ca 0.73 2.32 -0.21 0.00 0.69 0.00 0.00 54.13 57.65 3hiy s LEU 309 Cb -0.06 -3.52 0.03 0.00 -0.43 0.00 0.00 46.19 42.21 3hiy s LEU 309 CO 0.54 -1.40 0.71 -0.62 -0.29 0.00 0.00 176.35 175.29 3hiy s ASP 310 N 5.86 6.32 0.51 3.68 -1.08 -1.26 -4.93 116.67 125.77 3hiy s ASP 310 Ca 0.92 -0.43 0.26 0.00 -0.52 0.00 0.00 52.55 52.78 3hiy s ASP 310 Cb -0.38 -2.34 1.38 0.00 -1.46 0.00 0.00 42.92 40.12 3hiy s ASP 310 CO 0.38 -0.89 2.05 -0.33 0.52 0.00 0.00 175.17 176.90 3hiy h GLU 311 N 8.98 0.00 -0.41 4.34 4.39 -1.98 -0.88 114.58 129.02 3hiy h GLU 311 Ca -0.26 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 3hiy h GLU 311 Cb 1.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 3hiy h GLU 311 CO 0.95 0.13 0.08 -0.91 -1.16 0.00 0.00 179.01 178.10 3hiy h ASN 312 N 0.00 0.64 -0.40 1.42 4.21 -1.98 0.72 115.58 120.19 3hiy h ASN 312 Ca -0.00 -0.25 -0.05 0.00 1.21 0.00 0.00 56.30 57.20 3hiy h ASN 312 Cb 0.35 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 3hiy h ASN 312 CO 0.02 0.72 0.03 -0.78 -1.29 0.00 0.00 177.43 176.13 3hiy h ASP 313 N 0.52 0.66 -0.03 5.81 3.58 -1.63 0.57 116.42 125.90 3hiy h ASP 313 Ca 0.12 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 3hiy h ASP 313 Cb 0.35 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 3hiy h ASP 313 CO 0.01 0.78 0.01 0.15 -2.88 0.00 0.00 179.24 177.30 3hiy h PHE 314 N 0.51 0.04 -0.67 0.28 3.57 -1.19 -1.32 116.94 118.16 3hiy h PHE 314 Ca 0.12 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 3hiy h PHE 314 Cb 0.42 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 3hiy h PHE 314 CO 0.03 0.20 0.26 1.03 -2.23 0.00 0.00 178.31 177.61 3hiy h SER 315 N -0.13 0.26 -0.02 0.41 0.87 -0.58 -1.83 113.55 112.53 3hiy h SER 315 Ca 0.01 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3hiy h SER 315 Cb 0.18 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3hiy h SER 315 CO -0.00 0.14 -0.31 0.00 -0.53 0.00 0.00 176.83 176.12 3hiy h ALA 316 N 1.47 1.03 0.00 6.23 0.00 -0.75 0.13 119.26 127.36 3hiy h ALA 316 Ca 0.35 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hiy h ALA 316 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hiy h ALA 316 CO -0.34 0.59 0.00 0.45 0.00 0.00 0.00 179.25 179.95 3hiy n SER 317 N -4.08 0.15 0.00 0.00 2.88 -0.51 -1.05 113.62 111.00 3hiy n SER 317 Ca -0.01 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 3hiy n SER 317 Cb 0.45 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3hiy n SER 317 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3hiy n GLN 319 N 0.20 0.00 -0.25 -1.46 -0.06 0.46 -2.10 117.38 114.17 3hiy n GLN 319 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 3hiy n GLN 319 Cb 0.04 0.00 0.17 0.00 -4.06 0.00 0.00 30.24 26.38 3hiy n GLN 319 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 3hiy h ASN 320 N 0.00 0.96 -0.75 1.69 -0.00 -1.36 -0.10 115.58 116.02 3hiy h ASN 320 Ca 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 56.18 3hiy h ASN 320 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.04 3hiy h ASN 320 CO 0.00 0.77 0.32 -0.33 -0.00 0.00 0.00 177.43 178.20 3hiy h GLU 321 N 1.09 1.11 -0.47 6.67 4.39 -1.71 -1.59 114.58 124.06 3hiy h GLU 321 Ca 0.27 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 3hiy h GLU 321 Cb 0.02 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3hiy h GLU 321 CO -0.04 0.89 0.05 1.15 -1.16 0.00 0.00 179.01 179.90 3hiy h THR 322 N 1.07 1.23 0.00 1.13 2.02 -1.77 -2.69 112.91 113.90 3hiy h THR 322 Ca 0.25 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3hiy h THR 322 Cb 0.18 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3hiy h THR 322 CO -0.02 0.31 -0.12 0.74 0.37 0.00 0.00 175.52 176.80 3hiy h THR 323 N 0.71 0.25 0.00 3.16 2.02 -0.70 -2.06 112.91 116.28 3hiy h THR 323 Ca 0.15 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3hiy h THR 323 Cb 0.36 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3hiy h THR 323 CO 0.01 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3hiy n GLN 324 N -3.18 0.60 -2.73 6.66 6.02 -0.63 -4.40 117.38 119.72 3hiy n GLN 324 Ca 0.02 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.98 3hiy n GLN 324 Cb 0.47 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.27 3hiy n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hiy n ARG 325 N -1.14 1.39 -2.46 -1.09 1.74 -0.78 -1.24 116.66 113.07 3hiy n ARG 325 Ca 0.16 -3.29 -0.39 0.00 -0.77 0.00 0.00 57.85 53.56 3hiy n ARG 325 Cb 0.15 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 3hiy n ARG 325 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hiy s PRO 326 N -3.28 4.42 -0.01 5.56 0.04 -1.25 -4.88 135.00 135.61 3hiy s PRO 326 Ca 0.27 1.73 0.21 0.00 0.04 0.00 0.00 61.00 63.24 3hiy s PRO 326 Cb 0.40 -2.94 -0.26 0.00 0.04 0.00 0.00 34.50 31.75 3hiy s PRO 326 CO 0.00 0.04 0.72 -1.13 0.04 0.00 0.00 177.00 176.67 3hiy n SER 327 N 0.68 0.68 -2.31 6.66 3.41 -1.26 -4.42 113.62 117.05 3hiy n SER 327 Ca 0.01 -0.62 -0.31 0.00 -0.26 0.00 0.00 58.87 57.69 3hiy n SER 327 Cb 0.46 1.35 0.05 0.00 -0.26 0.00 0.00 64.21 65.81 3hiy n SER 327 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hiy n ASN 328 N -1.75 6.56 -4.42 4.04 6.94 -1.26 -4.85 115.26 120.51 3hiy n ASN 328 Ca 0.01 -3.78 -0.23 0.00 -0.02 0.00 0.00 54.58 50.56 3hiy n ASN 328 Cb 0.40 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 36.97 3hiy n ASN 328 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hiy s SER 329 N -2.45 3.26 0.28 0.53 1.04 -1.26 -5.04 113.70 110.06 3hiy s SER 329 Ca 0.58 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 3hiy s SER 329 Cb 0.46 -0.24 0.48 0.00 0.10 0.00 0.00 66.02 66.81 3hiy s SER 329 CO -0.06 0.01 1.56 -0.65 0.98 0.00 0.00 173.24 175.08 3hiy h PRO 330 N 2.62 0.00 -6.31 4.02 0.11 -1.91 -3.38 132.00 127.16 3hiy h PRO 330 Ca -0.41 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.07 3hiy h PRO 330 Cb 1.24 -0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.07 3hiy h PRO 330 CO 0.57 0.00 -0.86 0.71 -0.21 0.00 0.00 178.00 178.21 3hiy s TYR 331 N -6.24 2.02 -0.34 0.65 2.02 -1.26 -4.88 117.35 109.32 3hiy s TYR 331 Ca -0.15 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3hiy s TYR 331 Cb 0.27 -1.24 0.10 0.00 -0.40 0.00 0.00 41.96 40.69 3hiy s TYR 331 CO 0.78 0.06 0.06 0.08 -1.57 0.00 0.00 175.55 174.96 3hiy s VAL 332 N -0.71 2.15 -0.28 0.71 1.01 -1.26 -4.26 120.40 117.76 3hiy s VAL 332 Ca 0.09 -2.27 -0.03 0.00 0.00 0.00 0.00 61.98 59.77 3hiy s VAL 332 Cb -0.09 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3hiy s VAL 332 CO 0.01 -0.61 -0.01 -0.69 0.00 0.00 0.00 175.10 173.80 3hiy s VAL 333 N 0.95 3.11 -0.21 2.92 1.01 -1.26 0.40 120.40 127.32 3hiy s VAL 333 Ca 0.11 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 3hiy s VAL 333 Cb -0.19 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3hiy s VAL 333 CO -0.10 0.03 0.87 -0.70 0.00 0.00 0.00 175.10 175.20 3hiy s GLU 334 N 1.32 4.24 -0.05 2.72 2.12 -0.20 -1.19 118.70 127.65 3hiy s GLU 334 Ca -0.02 1.04 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 3hiy s GLU 334 Cb -0.18 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3hiy s GLU 334 CO -0.02 -0.47 1.36 0.34 -0.54 0.00 0.00 175.26 175.94 3hiy s ASP 335 N 1.25 6.89 0.08 -1.70 -1.08 0.11 -4.64 116.67 117.58 3hiy s ASP 335 Ca 0.38 1.99 0.20 0.00 -0.52 0.00 0.00 52.55 54.59 3hiy s ASP 335 Cb -0.16 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.57 3hiy s ASP 335 CO 0.09 -0.72 1.62 2.22 0.52 0.00 0.00 175.17 178.89 3hiy n PHE 336 N 5.78 0.28 1.02 -5.34 -1.74 -1.26 -1.29 117.46 114.90 3hiy n PHE 336 Ca 0.13 0.10 0.11 0.00 -0.56 0.00 0.00 57.45 57.24 3hiy n PHE 336 Cb 0.44 -0.66 0.01 0.00 1.52 0.00 0.00 39.48 40.79 3hiy n PHE 336 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3hiy n VAL 337 N -1.74 0.00 -1.94 1.97 0.24 -1.26 -0.98 118.33 114.62 3hiy n VAL 337 Ca 0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3hiy n VAL 337 Cb 0.23 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3hiy n VAL 337 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hiy n ASN 338 N -0.28 0.00 -0.10 -1.34 0.23 -1.18 -4.70 115.26 107.89 3hiy n ASN 338 Ca 0.09 -0.97 -0.01 0.00 -0.53 0.00 0.00 54.58 53.16 3hiy n ASN 338 Cb 0.44 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.14 3hiy n ASN 338 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hiy n TYR 339 N 0.00 -0.01 -1.66 -2.53 4.01 -0.41 -4.94 117.16 111.61 3hiy n TYR 339 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 3hiy n TYR 339 Cb 0.37 -1.87 -0.02 0.00 -0.31 0.00 0.00 39.34 37.52 3hiy n TYR 339 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3hiy n VAL 340 N -1.74 1.68 -2.96 -0.72 0.31 -1.26 -4.64 118.33 109.01 3hiy n VAL 340 Ca -0.01 -0.42 -0.44 0.00 -0.01 0.00 0.00 64.34 63.46 3hiy n VAL 340 Cb 0.44 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 3hiy n VAL 340 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hiy s ASN 341 N -0.21 6.88 0.00 4.52 3.84 -0.37 0.08 114.94 129.68 3hiy s ASN 341 Ca 0.60 -2.60 0.05 0.00 0.21 0.00 0.00 52.86 51.12 3hiy s ASN 341 Cb -0.64 -2.39 0.21 0.00 -0.55 0.00 0.00 41.25 37.89 3hiy s ASN 341 CO 0.58 -0.86 1.06 0.00 -2.79 0.00 0.00 177.10 175.09 3hiy n GLY 343 N -0.97 3.31 0.21 0.00 0.00 -1.24 -4.59 105.19 101.91 3hiy n GLY 343 Ca 0.02 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.38 3hiy n GLY 343 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hiy h ARG 344 N 2.58 0.00 0.00 1.61 0.11 -1.18 -3.13 114.38 114.37 3hiy h ARG 344 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hiy h ARG 344 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3hiy h ARG 344 CO 0.19 0.00 -0.04 0.00 0.10 0.00 0.00 179.97 180.22 3hiy h ARG 345 N 0.00 0.00 -6.31 0.08 3.08 -1.82 -3.44 114.38 105.98 3hiy h ARG 345 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3hiy h ARG 345 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3hiy h ARG 345 CO 0.00 0.00 1.12 0.08 -1.07 0.00 0.00 179.97 180.10 3hiy s VAL 346 N -3.16 3.74 0.52 2.04 1.01 -1.18 -4.88 120.40 118.49 3hiy s VAL 346 Ca 0.09 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3hiy s VAL 346 Cb 0.09 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 3hiy s VAL 346 CO 0.64 -0.36 1.02 -1.10 0.00 0.00 0.00 175.10 175.29 3hiy s GLN 347 N 4.75 3.74 0.39 2.72 -1.52 -1.26 -4.49 119.66 124.00 3hiy s GLN 347 Ca 0.70 1.16 0.19 0.00 -1.95 0.00 0.00 55.36 55.46 3hiy s GLN 347 Cb -0.23 -2.10 1.14 0.00 -0.22 0.00 0.00 33.01 31.60 3hiy s GLN 347 CO 0.29 -0.46 1.73 0.00 -0.25 0.00 0.00 175.29 176.61 3hiy h ALA 348 N 1.04 2.25 0.00 6.09 0.00 -1.97 0.14 119.26 126.82 3hiy h ALA 348 Ca -0.48 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3hiy h ALA 348 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hiy h ALA 348 CO 0.59 -0.73 -0.26 0.66 0.00 0.00 0.00 179.25 179.52 3hiy h SER 349 N 0.35 0.00 1.59 0.00 4.64 -2.01 -2.85 113.55 115.28 3hiy h SER 349 Ca 0.66 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.93 3hiy h SER 349 Cb 1.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3hiy h SER 349 CO -0.37 0.26 -0.22 0.03 -0.87 0.00 0.00 176.83 175.67 3hiy h ARG 350 N 0.00 0.00 -0.35 4.77 2.47 -1.08 -3.33 114.38 116.86 3hiy h ARG 350 Ca -0.00 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 3hiy h ARG 350 Cb 0.64 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3hiy h ARG 350 CO 0.03 0.22 0.61 0.28 0.56 0.00 0.00 179.97 181.67 3hiy h VAL 351 N 0.00 0.15 0.18 2.04 2.07 -1.45 0.51 116.25 119.75 3hiy h VAL 351 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hiy h VAL 351 Cb 1.07 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3hiy h VAL 351 CO 0.03 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.44 3hiy h ARG 352 N 0.00 -0.23 0.00 1.57 2.43 -1.78 -3.12 114.38 113.26 3hiy h ARG 352 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3hiy h ARG 352 Cb 1.39 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 3hiy h ARG 352 CO -0.00 0.14 0.00 1.58 -1.51 0.00 0.00 179.97 180.18 3hiy n HIS 353 N -4.92 0.00 -0.21 2.20 -0.00 0.17 -1.32 115.22 111.13 3hiy n HIS 353 Ca -0.07 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.13 3hiy n HIS 353 Cb 0.24 -0.21 0.06 0.00 -0.12 0.00 0.00 29.99 29.97 3hiy n HIS 353 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 3hiy n ILE 354 N -1.38 -0.27 0.86 3.57 5.41 -1.20 -0.47 119.36 125.88 3hiy n ILE 354 Ca 0.00 1.35 0.13 0.00 1.00 0.00 0.00 62.75 65.22 3hiy n ILE 354 Cb 0.00 -1.84 0.54 0.00 -0.71 0.00 0.00 39.64 37.63 3hiy n ILE 354 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3hiy n GLN 355 N -4.92 0.04 -0.10 0.38 -0.06 -0.86 -1.32 117.38 110.54 3hiy n GLN 355 Ca 0.08 0.08 -0.17 0.00 -2.00 0.00 0.00 57.00 54.99 3hiy n GLN 355 Cb 0.27 -1.55 -0.08 0.00 -4.06 0.00 0.00 30.24 24.82 3hiy n GLN 355 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 3hiy n GLN 356 N -1.63 0.53 0.00 3.69 7.27 0.38 -3.78 117.38 123.85 3hiy n GLN 356 Ca 0.06 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.64 3hiy n GLN 356 Cb 0.32 -1.68 0.01 0.00 2.41 0.00 0.00 30.24 31.30 3hiy n GLN 356 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3hiy n GLU 357 N -4.47 0.00 -0.02 3.69 1.02 -0.34 1.00 120.64 121.52 3hiy n GLU 357 Ca -0.27 0.43 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 3hiy n GLU 357 Cb 0.58 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.36 3hiy n GLU 357 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3hiy h PHE 358 N 0.00 0.33 -0.29 -0.32 0.04 -1.39 -2.48 116.94 112.84 3hiy h PHE 358 Ca 0.00 -0.24 0.08 0.00 2.80 0.00 0.00 57.97 60.61 3hiy h PHE 358 Cb 0.01 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3hiy h PHE 358 CO 0.00 1.55 0.29 -0.91 -0.60 0.00 0.00 178.31 178.64 3hiy h ASN 359 N -0.43 0.00 0.32 2.17 -0.26 0.55 -2.26 115.58 115.66 3hiy h ASN 359 Ca -0.32 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.09 3hiy h ASN 359 Cb 1.67 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.89 3hiy h ASN 359 CO 0.00 0.00 -1.88 -1.14 -1.06 0.00 0.00 177.43 173.35 3hiy n ARG 360 N -3.86 0.68 -0.22 0.81 0.63 0.67 -3.08 116.66 112.29 3hiy n ARG 360 Ca 0.04 0.26 -0.08 0.00 -0.92 0.00 0.00 57.85 57.16 3hiy n ARG 360 Cb 0.44 -1.74 0.03 0.00 0.45 0.00 0.00 32.46 31.64 3hiy n ARG 360 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3hiy h LEU 361 N 0.03 0.89 -0.27 6.15 5.85 -1.00 -3.13 115.31 123.82 3hiy h LEU 361 Ca -0.36 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3hiy h LEU 361 Cb 2.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.83 3hiy h LEU 361 CO 0.07 0.86 0.00 0.08 -0.34 0.00 0.00 178.44 179.12 3hiy h ARG 362 N 0.87 0.00 -0.99 1.25 -0.00 -1.55 -1.99 114.38 111.98 3hiy h ARG 362 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 3hiy h ARG 362 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 3hiy h ARG 362 CO -0.01 0.00 0.00 -1.91 -0.00 0.00 0.00 179.97 178.05 3hiy n GLU 363 N -2.53 0.98 0.00 0.08 2.13 -1.18 -2.14 120.64 117.99 3hiy n GLU 363 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3hiy n GLU 363 Cb 0.40 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.73 3hiy n GLU 363 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hiy n LEU 365 N 0.12 0.00 0.00 4.31 4.77 -0.75 -0.48 117.00 124.98 3hiy n LEU 365 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hiy n LEU 365 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hiy n LEU 365 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 3hiy n ILE 366 N 0.00 0.00 0.31 -0.08 5.41 -0.91 -4.47 119.36 119.62 3hiy n ILE 366 Ca 0.00 0.07 -0.15 0.00 1.00 0.00 0.00 62.75 63.67 3hiy n ILE 366 Cb 0.00 -1.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.81 3hiy n ILE 366 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hiy h ASP 367 N 0.00 -1.06 -0.36 4.38 3.32 -1.62 -3.00 116.42 118.08 3hiy h ASP 367 Ca 0.00 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 3hiy h ASP 367 Cb 0.00 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 3hiy h ASP 367 CO 0.00 -0.58 0.26 0.29 -1.72 0.00 0.00 179.24 177.49 3hiy n LYS 368 N -4.92 1.49 -0.25 3.56 4.76 0.37 -4.55 118.16 118.63 3hiy n LYS 368 Ca -0.11 -1.11 0.01 0.00 -2.87 0.00 0.00 58.31 54.23 3hiy n LYS 368 Cb 0.40 -1.43 0.14 0.00 -1.84 0.00 0.00 35.03 32.29 3hiy n LYS 368 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hiy h GLU 369 N 0.65 0.60 0.00 1.97 4.81 -1.75 -0.41 114.58 120.46 3hiy h GLU 369 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3hiy h GLU 369 Cb 1.46 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3hiy h GLU 369 CO 0.45 0.40 0.00 0.43 -0.73 0.00 0.00 179.01 179.56 3hiy n SER 370 N -4.85 0.00 -0.90 1.04 7.64 -1.26 -2.62 113.62 112.67 3hiy n SER 370 Ca 0.11 0.50 0.08 0.00 1.01 0.00 0.00 58.87 60.57 3hiy n SER 370 Cb 0.27 -0.50 0.25 0.00 -1.01 0.00 0.00 64.21 63.21 3hiy n SER 370 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3hiy n GLU 371 N -1.50 3.02 -2.52 1.43 2.13 -0.16 -4.51 120.64 118.52 3hiy n GLU 371 Ca 0.02 -2.71 -0.42 0.00 0.66 0.00 0.00 57.16 54.71 3hiy n GLU 371 Cb 0.11 -1.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.03 3hiy n GLU 371 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3hiy s LEU 372 N -2.46 4.36 -0.09 4.31 1.43 -1.08 -5.04 118.68 120.11 3hiy s LEU 372 Ca 0.39 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3hiy s LEU 372 Cb 0.30 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3hiy s LEU 372 CO 0.11 -0.41 -0.07 -0.54 0.23 0.00 0.00 176.35 175.66 3hiy s LYS 373 N 1.17 1.37 0.16 1.70 1.02 -1.26 -4.63 119.74 119.27 3hiy s LYS 373 Ca 0.56 -0.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.15 3hiy s LYS 373 Cb -0.26 -1.38 0.08 0.00 -0.52 0.00 0.00 37.83 35.75 3hiy s LYS 373 CO 0.28 -0.18 1.69 0.35 -0.92 0.00 0.00 175.35 176.57 3hiy h PHE 374 N 7.78 -0.08 0.00 3.18 3.57 -1.90 -2.18 116.94 127.30 3hiy h PHE 374 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3hiy h PHE 374 Cb 1.15 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3hiy h PHE 374 CO 0.48 -0.10 0.00 -0.25 -2.23 0.00 0.00 178.31 176.21 3hiy n ASP 375 N -5.22 0.54 0.00 0.41 8.00 -1.26 -2.69 116.55 116.33 3hiy n ASP 375 Ca 0.02 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.82 3hiy n ASP 375 Cb 0.19 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3hiy n ASP 375 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3hiy n GLU 376 N -0.13 1.99 0.08 -1.24 4.07 -0.83 -4.68 120.64 119.91 3hiy n GLU 376 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 3hiy n GLU 376 Cb 0.14 -0.96 -0.15 0.00 -0.06 0.00 0.00 31.44 30.41 3hiy n GLU 376 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3hiy h VAL 377 N 0.00 1.15 -2.18 6.31 2.07 -1.47 -3.40 116.25 118.74 3hiy h VAL 377 Ca 0.00 -2.74 -0.74 0.00 0.82 0.00 0.00 66.70 64.04 3hiy h VAL 377 Cb 0.44 2.82 -0.31 0.00 -1.52 0.00 0.00 31.29 32.71 3hiy h VAL 377 CO 0.00 0.83 0.55 0.49 0.02 0.00 0.00 177.57 179.47 3hiy n PHE 378 N -3.53 3.14 -3.85 1.57 3.01 -1.10 -4.92 117.46 111.78 3hiy n PHE 378 Ca -0.18 -2.89 -0.11 0.00 1.01 0.00 0.00 57.45 55.28 3hiy n PHE 378 Cb 1.06 -0.97 -0.09 0.00 -0.01 0.00 0.00 39.48 39.47 3hiy n PHE 378 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3hiy s ARG 379 N -4.06 0.54 0.07 -1.08 1.70 -1.26 -4.89 118.95 109.98 3hiy s ARG 379 Ca 0.44 -0.39 -0.11 0.00 -0.47 0.00 0.00 55.73 55.20 3hiy s ARG 379 Cb 0.26 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.80 3hiy s ARG 379 CO -0.18 -0.14 0.21 0.39 -1.08 0.00 0.00 175.30 174.50 3hiy n GLU 380 N 1.32 0.00 -3.20 3.89 -0.58 -1.18 -4.62 120.64 116.28 3hiy n GLU 380 Ca -0.22 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.28 3hiy n GLU 380 Cb 0.56 -0.38 -0.07 0.00 -0.57 0.00 0.00 31.44 30.98 3hiy n GLU 380 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hiy n SER 381 N 0.74 -0.01 -4.55 1.62 2.88 -1.20 -4.98 113.62 108.12 3hiy n SER 381 Ca 0.07 -2.67 -0.32 0.00 -1.33 0.00 0.00 58.87 54.62 3hiy n SER 381 Cb 0.09 -0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 3hiy n SER 381 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3hiy s ASP 382 N -1.04 4.66 0.00 -3.46 3.84 -1.26 -4.58 116.67 114.83 3hiy s ASP 382 Ca 0.35 0.48 0.00 0.00 -0.00 0.00 0.00 52.55 53.37 3hiy s ASP 382 Cb 0.16 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 39.17 3hiy s ASP 382 CO -0.12 -2.89 0.00 0.41 -0.00 0.00 0.00 175.17 172.56 3hiy n THR 383 N 7.89 0.00 -0.08 2.11 -1.04 -1.26 -5.24 114.28 116.66 3hiy n THR 383 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 3hiy n THR 383 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3hiy n THR 383 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98