#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 0.12 -0.20 3.52 0.00 -1.87 -1.78 119.26 119.05 3hiy h ALA 4 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hiy h ALA 4 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hiy h ALA 4 CO 0.00 -0.12 -0.01 -0.22 0.00 0.00 0.00 179.25 178.90 3hiy h LYS 5 N -0.19 0.05 0.00 0.00 3.64 -1.82 0.18 116.57 118.42 3hiy h LYS 5 Ca 0.02 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hiy h LYS 5 Cb 0.49 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3hiy h LYS 5 CO 0.01 0.03 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.13 3hiy h ARG 6 N 0.05 0.00 0.09 1.90 2.43 -1.93 -0.79 114.38 116.13 3hiy h ARG 6 Ca 0.10 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.97 3hiy h ARG 6 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hiy h ARG 6 CO -0.17 0.00 -1.48 0.93 -1.51 0.00 0.00 179.97 177.74 3hiy h GLU 7 N 0.00 0.20 0.42 0.20 4.39 -0.55 -2.79 114.58 116.45 3hiy h GLU 7 Ca -0.00 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 3hiy h GLU 7 Cb 0.01 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3hiy h GLU 7 CO 0.00 1.04 -0.20 0.35 -1.16 0.00 0.00 179.01 179.04 3hiy h PHE 8 N 0.05 -0.52 -0.98 4.33 3.57 -0.53 -0.71 116.94 122.15 3hiy h PHE 8 Ca -0.22 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.34 3hiy h PHE 8 Cb 1.99 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.83 3hiy h PHE 8 CO 0.05 -0.31 0.63 0.82 -2.23 0.00 0.00 178.31 177.27 3hiy h ILE 9 N -0.58 1.06 0.47 1.41 2.04 -1.28 -2.65 117.51 117.98 3hiy h ILE 9 Ca -0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3hiy h ILE 9 Cb 0.44 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3hiy h ILE 9 CO 0.09 0.20 -0.23 -0.09 0.00 0.00 0.00 178.15 178.13 3hiy h ARG 10 N 1.12 -0.61 -5.02 2.37 2.43 -1.28 -3.41 114.38 109.97 3hiy h ARG 10 Ca 0.43 0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 59.28 3hiy h ARG 10 Cb 0.23 0.14 0.09 0.00 -0.42 0.00 0.00 29.97 30.00 3hiy h ARG 10 CO -0.18 -0.40 0.90 0.41 -1.51 0.00 0.00 179.97 179.19 3hiy n GLY 11 N -1.33 0.25 3.51 2.80 0.00 -0.29 -4.66 105.19 105.46 3hiy n GLY 11 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 13.19 0.00 -0.18 4.61 0.00 -1.26 -4.60 120.51 132.27 3hiy n ALA 14 Ca 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 3hiy n ALA 14 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 1.16 -0.12 0.00 2.76 -1.96 -0.99 115.15 115.99 3hiy h HIS 15 Ca 0.00 -0.25 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3hiy h HIS 15 Cb 0.00 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 3hiy h HIS 15 CO 0.00 1.08 0.07 -0.92 -1.30 0.00 0.00 177.93 176.86 3hiy h TYR 16 N 0.90 0.16 -0.04 5.26 3.20 -1.96 -2.72 116.97 121.77 3hiy h TYR 16 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3hiy h TYR 16 Cb 0.72 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hiy h TYR 16 CO 0.05 0.17 0.06 0.00 -1.64 0.00 0.00 178.16 176.80 3hiy h ARG 17 N 0.10 0.00 -0.06 1.82 2.47 -1.75 -1.54 114.38 115.42 3hiy h ARG 17 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3hiy h ARG 17 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3hiy h ARG 17 CO -0.01 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.52 3hiy n ALA 18 N -2.24 2.54 0.11 0.04 0.00 -0.45 -3.91 120.51 116.60 3hiy n ALA 18 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 52.91 3hiy n ALA 18 Cb 0.15 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.47 0.56 -4.73 0.00 7.64 -0.59 -4.94 113.62 112.02 3hiy n SER 19 Ca 0.18 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 3hiy n SER 19 Cb 0.41 0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 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 -1.36 4.39 0.15 -3.43 1.43 -1.15 -3.56 118.68 115.15 3hiy s LEU 20 Ca 0.02 2.49 -0.34 0.00 -1.03 0.00 0.00 54.13 55.27 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 0.07 -0.66 1.17 -2.65 0.23 0.00 0.00 176.35 174.51 3hiy n PRO 21 N 3.15 1.07 -0.76 1.29 -0.02 -1.26 -4.86 135.00 133.61 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 -1.89 0.18 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 -0.25 0.74 0.34 0.52 0.04 -1.26 -4.87 135.00 130.26 3hiy s PRO 22 Ca 0.75 1.31 0.12 0.00 0.04 0.00 0.00 61.00 63.22 3hiy s PRO 22 Cb -0.89 -1.71 0.93 0.00 0.04 0.00 0.00 34.50 32.87 3hiy s PRO 22 CO 0.52 -2.74 1.74 -1.00 0.04 0.00 0.00 177.00 175.55 3hiy h PRO 23 N -1.94 0.53 -0.00 0.56 0.13 -2.06 -1.85 132.00 127.37 3hiy h PRO 23 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hiy h PRO 23 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hiy h PRO 23 CO 0.45 0.35 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.64 3hiy n GLU 24 N -4.83 0.42 0.03 0.86 0.00 -1.26 -4.17 120.64 111.69 3hiy n GLU 24 Ca 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 57.16 57.35 3hiy n GLU 24 Cb 0.78 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 31.07 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 0.22 0.47 -0.41 -1.84 2.76 -1.67 -1.12 115.15 113.56 3hiy h HIS 25 Ca 0.00 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3hiy h HIS 25 Cb 0.37 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 29.12 3hiy h HIS 25 CO 0.00 0.44 -0.02 1.03 -1.30 0.00 0.00 177.93 178.08 3hiy h SER 26 N 0.45 -0.21 -0.47 3.26 0.87 -1.79 -1.36 113.55 114.31 3hiy h SER 26 Ca 0.10 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 3hiy h SER 26 Cb 0.24 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3hiy h SER 26 CO 0.00 -0.07 0.03 0.58 -0.53 0.00 0.00 176.83 176.85 3hiy h VAL 27 N 0.08 1.26 -0.44 2.23 2.07 -1.53 -2.04 116.25 117.88 3hiy h VAL 27 Ca 0.20 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3hiy h VAL 27 Cb 0.29 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3hiy h VAL 27 CO -0.35 0.35 0.07 0.58 0.02 0.00 0.00 177.57 178.23 3hiy h VAL 28 N 0.66 0.74 -0.31 2.57 2.07 -0.91 -1.62 116.25 119.45 3hiy h VAL 28 Ca 0.14 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 3hiy h VAL 28 Cb 0.45 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3hiy h VAL 28 CO 0.02 0.04 -0.33 0.40 0.02 0.00 0.00 177.57 177.71 3hiy h ILE 29 N 0.20 1.28 -0.71 4.57 1.08 -1.12 -0.08 117.51 122.73 3hiy h ILE 29 Ca 0.22 -1.47 -0.05 0.00 -0.39 0.00 0.00 64.86 63.16 3hiy h ILE 29 Cb 0.28 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 3hiy h ILE 29 CO -0.30 0.48 0.25 -0.74 -0.69 0.00 0.00 178.15 177.15 3hiy h HIS 30 N 0.58 1.11 -0.14 1.37 2.76 -1.07 -0.94 115.15 118.82 3hiy h HIS 30 Ca 0.06 -0.09 -0.19 0.00 -2.20 0.00 0.00 60.37 57.95 3hiy h HIS 30 Cb 0.85 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.49 3hiy h HIS 30 CO 0.04 0.86 -0.66 0.93 -1.30 0.00 0.00 177.93 177.80 3hiy h GLU 31 N 1.05 0.71 -0.65 5.26 4.39 -0.91 -2.32 114.58 122.10 3hiy h GLU 31 Ca 0.23 -0.57 0.11 0.00 0.34 0.00 0.00 59.36 59.48 3hiy h GLU 31 Cb 0.26 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 3hiy h GLU 31 CO -0.01 1.18 0.22 1.25 -1.16 0.00 0.00 179.01 180.49 3hiy h LEU 32 N 0.40 0.18 -1.00 1.33 5.85 -0.73 -0.94 115.31 120.40 3hiy h LEU 32 Ca -0.04 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3hiy h LEU 32 Cb 1.30 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 3hiy h LEU 32 CO 0.14 0.09 0.65 1.56 -0.34 0.00 0.00 178.44 180.54 3hiy h GLN 33 N 0.38 1.19 -0.53 1.25 4.20 -0.98 -1.37 115.11 119.24 3hiy h GLN 33 Ca 0.34 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3hiy h GLN 33 Cb 0.48 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3hiy h GLN 33 CO -0.37 0.79 0.05 0.87 -0.67 0.00 0.00 178.83 179.50 3hiy h LYS 34 N 1.22 0.86 -0.27 1.46 1.57 -0.65 -1.22 116.57 119.54 3hiy h LYS 34 Ca 0.41 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3hiy h LYS 34 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hiy h LYS 34 CO -0.14 0.83 0.01 0.00 -0.57 0.00 0.00 179.45 179.57 3hiy h ARG 35 N 0.81 0.48 -0.64 3.15 3.08 -0.66 -1.61 114.38 118.98 3hiy h ARG 35 Ca 0.16 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3hiy h ARG 35 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3hiy h ARG 35 CO 0.01 0.63 0.15 0.28 -1.07 0.00 0.00 179.97 179.97 3hiy h VAL 36 N 0.27 1.25 -0.64 2.04 2.07 -1.03 -2.07 116.25 118.14 3hiy h VAL 36 Ca 0.08 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3hiy h VAL 36 Cb 0.40 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3hiy h VAL 36 CO 0.01 0.35 0.15 0.25 0.02 0.00 0.00 177.57 178.35 3hiy h LEU 37 N 0.96 0.94 -0.35 2.57 5.85 -1.13 0.86 115.31 125.02 3hiy h LEU 37 Ca 0.20 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hiy h LEU 37 Cb 0.35 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hiy h LEU 37 CO 0.00 0.91 0.23 0.44 -0.34 0.00 0.00 178.44 179.68 3hiy h ASP 38 N 0.95 0.40 -0.39 1.25 3.32 -0.68 -2.00 116.42 119.27 3hiy h ASP 38 Ca 0.20 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.25 3hiy h ASP 38 Cb 0.34 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3hiy h ASP 38 CO 0.00 0.29 0.24 0.40 -1.72 0.00 0.00 179.24 178.46 3hiy h ILE 39 N 0.47 1.07 0.00 0.35 2.04 -1.23 -2.96 117.51 117.24 3hiy h ILE 39 Ca 0.13 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hiy h ILE 39 Cb -0.05 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3hiy h ILE 39 CO -0.03 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.82 3hiy n GLY 40 N -1.20 0.34 0.71 5.37 0.00 0.28 -2.83 105.19 107.85 3hiy n GLY 40 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.87 0.00 -0.09 0.99 4.77 -1.12 -1.04 117.00 121.38 3hiy n LEU 42 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3hiy n LEU 42 Cb 0.08 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 3hiy n LEU 42 CO 0.00 0.00 -1.12 0.00 -1.33 0.00 0.00 177.39 174.94 3hiy n ALA 43 N 0.00 1.37 -2.29 -1.18 0.00 -1.13 -5.02 120.51 112.26 3hiy n ALA 43 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 3hiy n ALA 43 Cb 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 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 0.52 0.23 0.00 -7.23 -0.20 -4.88 120.40 106.31 3hiy s VAL 44 Ca -0.23 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 3hiy s VAL 44 Cb 0.08 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.51 3hiy s VAL 44 CO 0.71 -0.82 0.83 0.20 -0.31 0.00 0.00 175.10 175.71 3hiy s ASN 45 N -2.73 7.33 -1.41 4.85 -0.87 -1.26 -3.83 114.94 117.02 3hiy s ASN 45 Ca 0.06 1.68 -0.01 0.00 -1.57 0.00 0.00 52.86 53.02 3hiy s ASN 45 Cb 0.03 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 3hiy s ASN 45 CO -0.05 0.09 0.38 0.29 -2.57 0.00 0.00 177.10 175.23 3hiy n LYS 46 N 1.10 -2.89 -1.63 -0.60 4.76 -1.26 -0.99 118.16 116.65 3hiy n LYS 46 Ca -0.02 0.36 -0.44 0.00 -2.87 0.00 0.00 58.31 55.34 3hiy n LYS 46 Cb 0.49 -4.37 -0.02 0.00 -1.84 0.00 0.00 35.03 29.30 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 -4.43 0.37 -3.46 7.82 0.00 -1.25 -3.88 120.51 115.68 3hiy n ALA 47 Ca -0.31 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 3hiy n ALA 47 Cb 0.68 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.89 -0.04 -0.11 0.00 5.04 0.05 -4.95 115.29 114.39 3hiy s HIS 48 Ca 0.60 0.21 0.03 0.00 -1.54 0.00 0.00 55.06 54.35 3hiy s HIS 48 Cb -0.66 -0.11 0.01 0.00 0.04 0.00 0.00 32.58 31.85 3hiy s HIS 48 CO 0.59 -0.08 -0.19 0.08 -2.34 0.00 0.00 174.74 172.79 3hiy s VAL 49 N 0.73 1.78 -0.05 0.89 1.01 -1.26 -0.99 120.40 122.51 3hiy s VAL 49 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3hiy s VAL 49 Cb -0.08 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3hiy s VAL 49 CO -0.03 0.50 -0.05 -0.70 0.00 0.00 0.00 175.10 174.82 3hiy s GLU 50 N 0.74 0.85 0.34 2.72 2.12 0.01 -4.96 118.70 120.52 3hiy s GLU 50 Ca -0.11 -0.11 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 3hiy s GLU 50 Cb -0.16 -0.86 -0.09 0.00 0.26 0.00 0.00 34.13 33.27 3hiy s GLU 50 CO 0.01 -0.09 1.04 -1.17 -0.54 0.00 0.00 175.26 174.52 3hiy s LEU 51 N 0.94 4.35 0.00 2.70 2.96 -1.26 0.74 118.68 129.11 3hiy s LEU 51 Ca -0.11 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 3hiy s LEU 51 Cb -0.14 -3.93 0.00 0.00 0.50 0.00 0.00 46.19 42.61 3hiy s LEU 51 CO 0.00 -0.26 0.00 2.22 -1.32 0.00 0.00 176.35 176.99 3hiy n PHE 52 N 0.56 -0.02 -4.21 5.38 -1.74 0.14 -4.88 117.46 112.69 3hiy n PHE 52 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.91 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 -1.36 0.24 4.97 0.00 -1.26 -3.82 105.19 103.96 3hiy n GLY 53 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 0.17 0.01 1.61 4.64 -1.87 0.14 113.55 118.26 3hiy h SER 54 Ca 0.00 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 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 0.31 -0.00 0.45 -0.87 0.00 0.00 176.83 176.72 3hiy h HIS 55 N 0.18 0.00 0.03 4.77 3.86 -1.83 2.05 115.15 124.21 3hiy h HIS 55 Ca 0.04 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.93 3hiy h HIS 55 Cb 0.32 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 3hiy h HIS 55 CO 0.00 0.00 -1.76 0.28 0.86 0.00 0.00 177.93 177.31 3hiy n VAL 56 N -3.14 1.59 0.16 2.45 0.31 0.43 -4.33 118.33 115.80 3hiy n VAL 56 Ca -0.03 -0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.04 3hiy n VAL 56 Cb 0.07 -1.89 0.36 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.66 0.09 0.00 4.52 4.64 -0.89 -3.42 113.55 117.83 3hiy h SER 57 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hiy h SER 57 Cb 1.58 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3hiy h SER 57 CO -0.17 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3hiy n GLY 58 N -0.58 1.03 2.15 -0.77 0.00 0.69 -4.12 105.19 103.58 3hiy n GLY 58 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 0.94 -4.34 1.61 3.72 -1.16 -4.91 117.46 111.32 3hiy n PHE 59 Ca 0.00 -2.06 -0.26 0.00 -0.05 0.00 0.00 57.45 55.08 3hiy n PHE 59 Cb 0.00 -1.86 -0.10 0.00 -0.94 0.00 0.00 39.48 36.59 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 -1.78 3.10 -1.54 0.00 -4.23 -1.26 -4.61 115.64 105.32 3hiy s THR 61 Ca 0.24 -1.21 0.19 0.00 -1.18 0.00 0.00 61.69 59.73 3hiy s THR 61 Cb -0.08 -3.09 0.37 0.00 1.34 0.00 0.00 72.50 71.04 3hiy s THR 61 CO 0.14 -0.05 1.56 -0.81 -0.54 0.00 0.00 174.62 174.91 3hiy n PRO 62 N -1.61 0.33 0.00 3.99 -0.04 -1.23 -1.89 135.00 134.54 3hiy n PRO 62 Ca 0.03 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3hiy n PRO 62 Cb 0.60 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.23 0.00 -1.96 0.54 8.25 -1.26 -4.97 115.22 114.59 3hiy n HIS 63 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 3hiy n HIS 63 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.30 6.14 1.03 0.41 0.01 -0.79 -4.92 113.70 113.27 3hiy s SER 64 Ca 0.21 2.75 -0.15 0.00 1.31 0.00 0.00 55.95 60.07 3hiy s SER 64 Cb 0.18 -2.64 0.20 0.00 0.21 0.00 0.00 66.02 63.97 3hiy s SER 64 CO 0.48 -0.98 1.16 1.51 0.41 0.00 0.00 173.24 175.82 3hiy s ASP 65 N -0.66 2.49 -0.22 2.44 -4.77 -1.26 -4.73 116.67 109.96 3hiy s ASP 65 Ca 0.59 0.74 -0.03 0.00 -3.30 0.00 0.00 52.55 50.55 3hiy s ASP 65 Cb -0.40 -1.12 0.01 0.00 -1.09 0.00 0.00 42.92 40.32 3hiy s ASP 65 CO 0.52 -3.17 -0.07 0.00 0.70 0.00 0.00 175.17 173.15 3hiy s ALA 66 N -3.28 2.72 -0.21 2.11 0.00 0.11 -4.67 121.76 118.55 3hiy s ALA 66 Ca 0.68 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 3hiy s ALA 66 Cb -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3hiy s ALA 66 CO 0.55 -0.53 0.40 -0.51 0.00 0.00 0.00 175.76 175.67 3hiy s ASP 67 N 1.41 6.43 -0.09 0.00 1.01 -1.25 -1.44 116.67 122.74 3hiy s ASP 67 Ca 0.04 0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.82 3hiy s ASP 67 Cb -0.15 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3hiy s ASP 67 CO -0.05 -0.09 -0.12 -0.63 0.21 0.00 0.00 175.17 174.49 3hiy s ILE 68 N 1.39 1.18 -0.24 0.77 1.01 0.20 0.27 121.20 125.79 3hiy s ILE 68 Ca 0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 3hiy s ILE 68 Cb -0.15 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3hiy s ILE 68 CO 0.08 0.38 0.29 -0.55 0.00 0.00 0.00 174.94 175.13 3hiy s SER 69 N 0.97 6.24 -0.22 3.58 0.15 0.23 -1.88 113.70 122.78 3hiy s SER 69 Ca -0.08 0.27 -0.09 0.00 0.70 0.00 0.00 55.95 56.75 3hiy s SER 69 Cb -0.15 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3hiy s SER 69 CO -0.00 -0.05 0.10 -0.22 1.20 0.00 0.00 173.24 174.28 3hiy s LEU 70 N 1.42 3.86 0.32 3.45 2.96 0.23 -0.81 118.68 130.12 3hiy s LEU 70 Ca 0.13 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3hiy s LEU 70 Cb -0.15 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 3hiy s LEU 70 CO 0.07 0.09 0.04 0.42 -1.32 0.00 0.00 176.35 175.65 3hiy s THR 71 N 0.87 1.32 0.33 3.68 -4.23 -0.16 -1.03 115.64 116.42 3hiy s THR 71 Ca 0.05 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3hiy s THR 71 Cb -0.13 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3hiy s THR 71 CO 0.03 -0.05 0.48 0.00 -0.54 0.00 0.00 174.62 174.54 3hiy n TYR 72 N -0.69 -1.48 -1.92 3.99 4.11 -1.26 -0.77 117.16 119.15 3hiy n TYR 72 Ca -0.03 -2.10 -0.42 0.00 -0.00 0.00 0.00 57.90 55.35 3hiy n TYR 72 Cb 0.66 0.55 -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 -2.65 4.21 -1.53 -3.48 3.52 -0.16 -1.99 118.95 116.87 3hiy s ARG 73 Ca 0.25 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 3hiy s ARG 73 Cb -0.01 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3hiy s ARG 73 CO 0.18 -0.63 0.00 0.09 -0.81 0.00 0.00 175.30 174.13 3hiy n ASN 74 N 4.12 -5.06 -4.77 -2.12 3.02 -1.26 -4.96 115.26 104.23 3hiy n ASN 74 Ca 0.14 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3hiy n ASN 74 Cb 0.38 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.83 2.86 -0.04 3.10 5.36 -0.84 -5.02 117.98 120.57 3hiy s PHE 75 Ca 0.00 1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 57.22 3hiy s PHE 75 Cb 0.00 -3.84 0.03 0.00 -0.34 0.00 0.00 43.02 38.88 3hiy s PHE 75 CO 0.00 -2.43 0.08 0.45 -1.46 0.00 0.00 175.22 171.86 3hiy s SER 76 N -0.24 0.30 0.56 6.13 0.15 -1.26 -4.98 113.70 114.36 3hiy s SER 76 Ca 0.52 0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.56 3hiy s SER 76 Cb -0.43 0.02 1.60 0.00 -1.71 0.00 0.00 66.02 65.50 3hiy s SER 76 CO 0.56 -0.17 2.21 1.55 1.20 0.00 0.00 173.24 178.59 3hiy h PRO 77 N 7.62 0.00 0.00 5.44 0.13 -1.95 -2.97 132.00 140.27 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 0.01 -0.05 0.91 -0.23 0.00 0.00 178.00 179.01 3hiy n TRP 78 N -4.11 0.88 1.31 1.56 7.02 -1.26 -3.45 117.44 119.40 3hiy n TRP 78 Ca -0.03 0.26 0.14 0.00 -1.02 0.00 0.00 57.50 56.84 3hiy n TRP 78 Cb 0.09 -0.91 0.52 0.00 -2.42 0.00 0.00 31.31 28.59 3hiy n TRP 78 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3hiy n LEU 79 N -2.23 0.63 -4.76 -0.99 4.77 -1.12 -4.71 117.00 108.58 3hiy n LEU 79 Ca 0.05 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3hiy n LEU 79 Cb 0.43 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3hiy n LEU 79 CO 0.31 0.12 1.17 -1.58 -1.33 0.00 0.00 177.39 176.08 3hiy s GLN 80 N -2.54 4.16 0.00 3.23 0.74 -1.22 -4.66 119.66 119.36 3hiy s GLN 80 Ca 0.26 2.51 0.00 0.00 0.05 0.00 0.00 55.36 58.18 3hiy s GLN 80 Cb 0.20 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.28 3hiy s GLN 80 CO 0.50 -0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 3hiy n GLY 81 N 1.52 0.77 0.33 2.59 0.00 -1.26 -5.00 105.19 104.14 3hiy n GLY 81 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 0.03 0.16 1.61 0.28 -1.26 -4.87 120.64 116.58 3hiy n GLU 83 Ca 0.00 0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.03 3hiy n GLU 83 Cb 0.00 -0.86 0.35 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.01 0.10 0.11 3.44 2.47 -1.95 -0.73 114.38 117.79 3hiy h ARG 84 Ca -0.03 -0.03 -0.29 0.00 -1.26 0.00 0.00 59.98 58.37 3hiy h ARG 84 Cb 1.03 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3hiy h ARG 84 CO -0.01 0.40 -1.46 0.28 0.56 0.00 0.00 179.97 179.74 3hiy h VAL 85 N 0.09 1.23 -0.58 2.04 2.07 -1.95 -2.62 116.25 116.53 3hiy h VAL 85 Ca 0.01 -2.88 0.05 0.00 0.82 0.00 0.00 66.70 64.71 3hiy h VAL 85 Cb 0.59 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 3hiy h VAL 85 CO 0.04 0.82 0.30 0.44 0.02 0.00 0.00 177.57 179.20 3hiy h ASP 86 N 0.06 0.44 -0.32 0.57 3.32 -1.75 0.29 116.42 119.02 3hiy h ASP 86 Ca -0.21 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.71 3hiy h ASP 86 Cb 1.99 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.49 3hiy h ASP 86 CO 0.16 0.29 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.47 3hiy h GLU 87 N 0.57 0.86 -0.80 3.56 4.57 -1.18 -0.20 114.58 121.96 3hiy h GLU 87 Ca 0.26 -0.49 0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3hiy h GLU 87 Cb 0.17 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.72 3hiy h GLU 87 CO -0.18 1.13 0.45 0.37 -1.18 0.00 0.00 179.01 179.61 3hiy h GLN 88 N 0.65 0.74 -0.35 1.92 5.75 -1.27 -0.62 115.11 121.93 3hiy h GLN 88 Ca 0.04 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 3hiy h GLN 88 Cb 1.02 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 3hiy h GLN 88 CO 0.10 0.49 -0.25 -0.91 -2.65 0.00 0.00 178.83 175.61 3hiy h ASN 89 N 0.77 0.72 -0.68 -0.69 2.35 -0.56 -1.32 115.58 116.17 3hiy h ASN 89 Ca 0.38 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3hiy h ASN 89 Cb 0.34 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3hiy h ASN 89 CO -0.24 0.94 0.45 -1.13 -1.65 0.00 0.00 177.43 175.80 3hiy h ASN 90 N 0.61 0.77 -0.15 5.81 -1.24 -0.43 -2.17 115.58 118.78 3hiy h ASN 90 Ca 0.08 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 3hiy h ASN 90 Cb 0.75 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 3hiy h ASN 90 CO 0.06 0.56 -0.06 0.50 -1.29 0.00 0.00 177.43 177.19 3hiy h LYS 91 N 0.91 0.46 -0.28 6.67 3.64 -0.98 -0.05 116.57 126.95 3hiy h LYS 91 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3hiy h LYS 91 Cb -0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3hiy h LYS 91 CO -0.06 0.54 0.00 0.54 -2.27 0.00 0.00 179.45 178.20 3hiy n ARG 92 N -4.26 0.31 0.00 1.90 1.74 -0.51 -2.20 116.66 113.64 3hiy n ARG 92 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3hiy n ARG 92 Cb 0.27 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.24 0.00 -0.18 0.55 -1.04 -0.03 -1.28 114.28 112.55 3hiy n THR 94 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3hiy n THR 94 Cb 0.07 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.96 -0.09 -2.82 2.43 -1.71 -1.60 114.38 111.55 3hiy h ARG 95 Ca 0.00 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 3hiy h ARG 95 Cb 0.00 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3hiy h ARG 95 CO 0.00 0.90 -0.11 0.35 -1.51 0.00 0.00 179.97 179.60 3hiy h PHE 96 N 0.90 -0.26 -0.52 2.20 3.57 -1.46 0.41 116.94 121.77 3hiy h PHE 96 Ca 0.18 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.80 3hiy h PHE 96 Cb 0.42 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 3hiy h PHE 96 CO 0.03 -0.16 -0.02 0.78 -2.23 0.00 0.00 178.31 176.70 3hiy h GLY 97 N -0.14 0.51 1.16 2.40 0.00 -1.78 0.16 103.07 105.38 3hiy h GLY 97 Ca 0.07 0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 3hiy h GLY 97 CO -0.17 -0.16 -0.26 0.50 0.00 0.00 0.00 176.54 176.44 3hiy h LYS 98 N 0.10 0.95 0.00 4.80 1.79 -0.19 -1.88 116.57 122.14 3hiy h LYS 98 Ca 0.26 -0.43 -0.08 0.00 -2.18 0.00 0.00 60.65 58.22 3hiy h LYS 98 Cb 0.41 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 3hiy h LYS 98 CO -0.46 1.09 -0.40 0.93 -1.08 0.00 0.00 179.45 179.54 3hiy h GLU 99 N 0.81 0.00 -0.24 3.15 4.39 0.12 -2.25 114.58 120.56 3hiy h GLU 99 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3hiy h GLU 99 Cb 0.84 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3hiy h GLU 99 CO 0.07 0.40 -0.31 0.00 -1.16 0.00 0.00 179.01 178.01 3hiy h ALA 100 N 1.60 0.36 -0.59 3.43 0.00 -0.32 -2.97 119.26 120.77 3hiy h ALA 100 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3hiy h ALA 100 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hiy h ALA 100 CO 0.05 0.39 0.38 0.77 0.00 0.00 0.00 179.25 180.84 3hiy h SER 101 N 0.34 0.64 0.00 0.00 0.02 -1.34 -2.62 113.55 110.59 3hiy h SER 101 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hiy h SER 101 Cb 0.89 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3hiy h SER 101 CO 0.07 0.46 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 3hiy n ALA 102 N -2.27 1.87 -3.45 3.77 0.00 -0.85 -4.96 120.51 114.62 3hiy n ALA 102 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 3hiy n ALA 102 Cb 0.04 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 1.28 0.14 0.08 0.00 0.00 -0.99 -5.09 107.32 102.73 3hiy s GLY 104 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 3hiy s GLY 104 CO 0.00 2.42 0.26 -0.54 0.00 0.00 0.00 173.10 175.24 3hiy s GLU 106 N 2.15 0.86 -1.50 2.90 0.41 -0.45 -4.05 118.70 119.04 3hiy s GLU 106 Ca 0.10 -0.74 -0.13 0.00 -0.41 0.00 0.00 54.97 53.79 3hiy s GLU 106 Cb -0.15 0.36 0.09 0.00 -1.78 0.00 0.00 34.13 32.66 3hiy s GLU 106 CO -0.31 -0.29 0.77 -0.25 -0.49 0.00 0.00 175.26 174.70 3hiy n ASP 107 N 0.17 -4.29 -4.71 -0.19 8.00 -1.26 -0.88 116.55 113.39 3hiy n ASP 107 Ca -0.17 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 3hiy n ASP 107 Cb 0.61 -3.47 -0.03 0.00 -0.02 0.00 0.00 41.12 38.21 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 -3.17 3.40 -0.06 2.53 1.01 -1.26 -4.29 120.40 118.56 3hiy s VAL 108 Ca 0.58 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 3hiy s VAL 108 Cb -0.30 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3hiy s VAL 108 CO 0.72 0.05 0.08 -0.13 0.00 0.00 0.00 175.10 175.82 3hiy s ARG 109 N 1.49 -0.05 -0.40 2.72 0.52 0.79 -4.99 118.95 119.04 3hiy s ARG 109 Ca 0.65 0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 56.07 3hiy s ARG 109 Cb -0.36 -0.55 0.01 0.00 0.52 0.00 0.00 34.95 34.58 3hiy s ARG 109 CO 0.29 -0.35 0.44 -0.47 0.02 0.00 0.00 175.30 175.24 3hiy s TYR 110 N 2.19 3.17 -0.23 -0.53 5.04 -1.26 -0.10 117.35 125.64 3hiy s TYR 110 Ca 0.05 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.38 3hiy s TYR 110 Cb -0.12 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 3hiy s TYR 110 CO -0.04 -0.63 0.09 0.42 -1.34 0.00 0.00 175.55 174.06 3hiy s ILE 111 N 2.17 4.76 -0.59 3.14 1.01 0.61 -5.00 121.20 127.31 3hiy s ILE 111 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3hiy s ILE 111 Cb -0.17 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.17 3hiy s ILE 111 CO 0.13 0.37 0.86 -0.13 0.00 0.00 0.00 174.94 176.18 3hiy s ARG 112 N 1.08 3.17 0.00 2.79 1.81 -1.26 -1.45 118.95 125.09 3hiy s ARG 112 Ca 0.05 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 3hiy s ARG 112 Cb -0.14 -4.15 0.00 0.00 -0.45 0.00 0.00 34.95 30.21 3hiy s ARG 112 CO 0.04 -1.57 0.00 0.00 -0.68 0.00 0.00 175.30 173.09 3hiy n ALA 113 N 7.18 0.00 0.08 2.13 0.00 -1.26 -4.97 120.51 123.66 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 0.06 0.00 0.00 1.74 -1.26 -3.66 116.66 113.54 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 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 0.13 0.00 -1.71 0.55 3.06 -1.26 -5.13 119.36 115.00 3hiy n ILE 115 Ca 0.00 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 3hiy n ILE 115 Cb 0.01 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.16 3hiy n ILE 115 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3hiy s PRO 116 N 0.00 3.95 0.02 9.51 0.02 -1.24 -4.83 135.00 142.43 3hiy s PRO 116 Ca 0.00 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3hiy s PRO 116 Cb 0.00 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.33 3hiy s PRO 116 CO 0.00 -1.17 -0.09 0.54 -0.33 0.00 0.00 177.00 175.95 3hiy s VAL 117 N 5.15 0.71 -0.15 3.83 0.11 -0.53 -3.93 120.40 125.59 3hiy s VAL 117 Ca 0.88 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 3hiy s VAL 117 Cb -0.39 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3hiy s VAL 117 CO 0.39 -0.04 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.24 3hiy s VAL 118 N -0.71 2.36 -0.07 2.04 1.01 0.25 -0.28 120.40 125.00 3hiy s VAL 118 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3hiy s VAL 118 Cb -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hiy s VAL 118 CO 0.00 0.53 -0.11 -1.10 0.00 0.00 0.00 175.10 174.43 3hiy s GLN 119 N 0.80 2.71 0.14 2.72 -0.21 0.86 -0.08 119.66 126.60 3hiy s GLN 119 Ca -0.07 -0.63 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 3hiy s GLN 119 Cb -0.15 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.37 3hiy s GLN 119 CO -0.01 0.59 0.31 -0.59 -2.12 0.00 0.00 175.29 173.48 3hiy s PHE 120 N -0.63 0.12 -0.27 0.91 -0.71 -0.39 -0.15 117.98 116.87 3hiy s PHE 120 Ca 0.09 -0.49 -0.12 0.00 -1.04 0.00 0.00 56.93 55.37 3hiy s PHE 120 Cb -0.11 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 3hiy s PHE 120 CO 0.01 -0.69 0.23 0.99 -1.34 0.00 0.00 175.22 174.42 3hiy s THR 121 N -3.89 5.29 0.19 -4.49 2.01 -0.06 0.11 115.64 114.81 3hiy s THR 121 Ca 0.09 0.28 -0.33 0.00 0.31 0.00 0.00 61.69 62.05 3hiy s THR 121 Cb 0.03 -3.57 -0.13 0.00 0.01 0.00 0.00 72.50 68.84 3hiy s THR 121 CO -0.06 0.25 1.67 -0.67 -0.69 0.00 0.00 174.62 175.12 3hiy n ASP 122 N 4.92 3.70 0.00 3.53 2.03 -0.52 -1.34 116.55 128.87 3hiy n ASP 122 Ca -0.13 1.07 0.07 0.00 0.52 0.00 0.00 54.79 56.32 3hiy n ASP 122 Cb 0.52 -1.53 0.32 0.00 -0.72 0.00 0.00 41.12 39.71 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 3.75 -0.84 0.34 0.27 0.00 -1.26 -1.76 105.19 105.70 3hiy n GLY 123 Ca 0.16 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.38 1.12 0.32 1.61 0.31 -1.26 -4.82 118.33 114.23 3hiy n VAL 124 Ca 0.05 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.11 3hiy n VAL 124 Cb 0.13 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 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 -3.82 0.00 0.00 2.52 -2.24 -1.22 -5.00 114.28 104.52 3hiy n THR 125 Ca -0.39 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3hiy n THR 125 Cb 0.79 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.01 2.89 3.64 3.38 0.00 -0.72 -5.00 105.19 110.39 3hiy n GLY 126 Ca 0.02 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 1.04 -2.73 -0.61 5.41 -1.26 -4.52 119.36 114.69 3hiy n ILE 127 Ca 0.00 -0.26 -0.40 0.00 1.00 0.00 0.00 62.75 63.09 3hiy n ILE 127 Cb 0.00 -1.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.59 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 -0.20 3.92 -0.05 1.39 5.65 -1.26 -1.44 115.29 123.30 3hiy s HIS 128 Ca 0.68 1.87 0.05 0.00 0.25 0.00 0.00 55.06 57.91 3hiy s HIS 128 Cb -0.70 -3.02 -0.01 0.00 -1.18 0.00 0.00 32.58 27.68 3hiy s HIS 128 CO 0.51 0.34 -0.20 0.00 -0.65 0.00 0.00 174.74 174.74 3hiy s ASP 130 N -0.01 4.34 -0.14 0.00 3.68 -0.52 -1.26 116.67 122.75 3hiy s ASP 130 Ca -0.04 -1.32 -0.00 0.00 2.13 0.00 0.00 52.55 53.32 3hiy s ASP 130 Cb -0.13 -1.55 -0.01 0.00 -1.45 0.00 0.00 42.92 39.78 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 1.13 2.98 0.08 1.11 1.01 0.89 -0.63 120.40 126.98 3hiy s VAL 131 Ca -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3hiy s VAL 131 Cb -0.19 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3hiy s VAL 131 CO -0.06 0.51 -0.06 -0.94 0.00 0.00 0.00 175.10 174.56 3hiy s SER 132 N 0.55 0.97 -0.20 3.32 1.04 -0.79 0.85 113.70 119.46 3hiy s SER 132 Ca -0.08 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.20 3hiy s SER 132 Cb -0.16 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 3hiy s SER 132 CO 0.04 -0.43 0.78 -0.63 0.98 0.00 0.00 173.24 173.98 3hiy s ILE 133 N -3.18 4.90 -1.09 -1.02 1.01 -1.25 0.75 121.20 121.31 3hiy s ILE 133 Ca 0.06 1.50 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 3hiy s ILE 133 Cb 0.02 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3hiy s ILE 133 CO -0.04 0.02 0.93 0.61 0.00 0.00 0.00 174.94 176.45 3hiy n GLY 134 N 3.63 -0.29 2.51 6.18 0.00 -0.20 -4.84 105.19 112.17 3hiy n GLY 134 Ca 0.03 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.74 6.61 -0.19 1.61 2.85 -1.26 -4.68 115.26 117.47 3hiy n ASN 135 Ca -0.17 -2.60 -0.05 0.00 -0.11 0.00 0.00 54.58 51.64 3hiy n ASN 135 Cb 0.62 -1.48 0.04 0.00 1.24 0.00 0.00 39.78 40.20 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 3.40 1.06 -0.66 -1.44 1.08 -1.99 -0.97 117.51 118.00 3hiy h ILE 136 Ca 0.72 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 65.01 3hiy h ILE 136 Cb 0.37 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 3hiy h ILE 136 CO 1.77 0.12 0.37 1.23 -0.69 0.00 0.00 178.15 180.95 3hiy h GLY 137 N 0.66 0.96 0.97 5.37 0.00 -1.94 -0.84 103.07 108.25 3hiy h GLY 137 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3hiy h GLY 137 CO -0.10 0.17 0.21 -1.33 0.00 0.00 0.00 176.54 175.49 3hiy h GLY 138 N 0.69 0.80 0.79 4.60 0.00 -1.67 -0.86 103.07 107.43 3hiy h GLY 138 Ca 0.29 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3hiy h GLY 138 CO -0.17 0.40 -0.07 -2.08 0.00 0.00 0.00 176.54 174.63 3hiy h VAL 139 N 0.66 0.81 -0.14 4.60 2.07 -0.65 -2.00 116.25 121.61 3hiy h VAL 139 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3hiy h VAL 139 Cb 0.18 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hiy h VAL 139 CO -0.01 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.27 3hiy h GLU 140 N -0.11 0.23 0.00 1.57 4.39 -1.01 -2.64 114.58 117.01 3hiy h GLU 140 Ca 0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3hiy h GLU 140 Cb 0.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3hiy h GLU 140 CO -0.09 0.40 0.00 0.27 -1.16 0.00 0.00 179.01 178.44 3hiy n ASN 141 N -4.82 0.75 0.08 1.42 0.23 -0.34 -1.52 115.26 111.07 3hiy n ASN 141 Ca -0.05 0.63 -0.06 0.00 -0.53 0.00 0.00 54.58 54.57 3hiy n ASN 141 Cb 0.17 -0.81 -0.04 0.00 -2.08 0.00 0.00 39.78 37.02 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 0.02 0.15 0.53 0.02 -1.19 -1.88 113.55 111.20 3hiy h SER 142 Ca 0.00 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 3hiy h SER 142 Cb 0.53 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hiy h SER 142 CO 0.00 0.91 -0.68 0.11 -1.14 0.00 0.00 176.83 176.02 3hiy h LYS 143 N 0.01 0.49 -0.50 3.45 1.57 -0.90 -1.50 116.57 119.18 3hiy h LYS 143 Ca -0.01 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3hiy h LYS 143 Cb 1.58 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.94 3hiy h LYS 143 CO 0.12 1.00 0.09 0.82 -0.57 0.00 0.00 179.45 180.90 3hiy h ILE 144 N 0.35 1.25 -0.50 1.86 2.04 -1.28 -1.28 117.51 119.94 3hiy h ILE 144 Ca -0.02 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 3hiy h ILE 144 Cb 1.26 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3hiy h ILE 144 CO 0.12 0.33 0.04 -0.07 0.00 0.00 0.00 178.15 178.57 3hiy h LEU 145 N 0.70 0.77 0.06 1.44 3.38 -1.28 -1.19 115.31 119.19 3hiy h LEU 145 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hiy h LEU 145 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hiy h LEU 145 CO 0.01 0.81 -0.03 0.00 0.09 0.00 0.00 178.44 179.32 3hiy h ALA 147 N 0.72 1.57 -0.19 0.00 0.00 -0.84 -1.35 119.26 119.17 3hiy h ALA 147 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hiy h ALA 147 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hiy h ALA 147 CO 0.01 0.16 0.06 0.82 0.00 0.00 0.00 179.25 180.31 3hiy h ILE 148 N 0.94 1.19 -0.77 0.00 2.04 -0.86 -2.86 117.51 117.18 3hiy h ILE 148 Ca 0.51 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3hiy h ILE 148 Cb 0.57 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3hiy h ILE 148 CO -0.28 0.18 0.51 -0.09 0.00 0.00 0.00 178.15 178.47 3hiy h ARG 149 N 0.13 0.80 -0.01 2.37 2.43 -0.12 -2.58 114.38 117.40 3hiy h ARG 149 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hiy h ARG 149 Cb 0.23 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3hiy h ARG 149 CO -0.00 0.53 -0.13 1.96 -1.51 0.00 0.00 179.97 180.81 3hiy h GLN 150 N 0.82 0.01 -0.98 0.20 4.20 -1.09 -2.19 115.11 116.08 3hiy h GLN 150 Ca 0.33 -0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.36 3hiy h GLN 150 Cb 0.25 -0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.88 3hiy h GLN 150 CO -0.12 0.15 0.48 0.28 -0.67 0.00 0.00 178.83 178.95 3hiy h VAL 151 N 0.01 0.25 -0.63 -0.54 2.07 -1.49 -3.36 116.25 112.55 3hiy h VAL 151 Ca 0.00 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3hiy h VAL 151 Cb 0.24 -0.02 -0.16 0.00 -1.52 0.00 0.00 31.29 29.84 3hiy h VAL 151 CO 0.02 0.05 -0.33 0.33 0.02 0.00 0.00 177.57 177.65 3hiy n PHE 152 N -5.13 -2.47 -0.26 1.57 -0.00 -1.07 -5.04 117.46 105.06 3hiy n PHE 152 Ca 0.30 -1.06 0.07 0.00 -0.00 0.00 0.00 57.45 56.77 3hiy n PHE 152 Cb 0.96 1.32 0.20 0.00 -0.00 0.00 0.00 39.48 41.96 3hiy n PHE 152 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 3hiy h PRO 153 N 4.63 0.33 0.00 -7.13 0.11 -1.56 -0.71 132.00 127.67 3hiy h PRO 153 Ca 0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 3hiy h PRO 153 Cb 1.13 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3hiy h PRO 153 CO -0.04 0.22 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.05 3hiy h ASP 154 N 0.34 0.00 0.39 -2.05 3.32 -1.96 0.77 116.42 117.23 3hiy h ASP 154 Ca 0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 3hiy h ASP 154 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3hiy h ASP 154 CO -0.49 0.48 -0.19 0.15 -1.72 0.00 0.00 179.24 177.47 3hiy h PHE 155 N 0.00 -0.49 -0.29 4.55 3.57 -1.52 -1.40 116.94 121.36 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 0.88 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3hiy h PHE 155 CO 0.00 -0.21 0.00 1.88 -2.23 0.00 0.00 178.31 177.75 3hiy h TYR 156 N -1.06 0.56 -0.34 0.41 0.05 -1.43 -1.35 116.97 113.81 3hiy h TYR 156 Ca -0.05 -0.10 0.06 0.00 0.05 0.00 0.00 58.73 58.69 3hiy h TYR 156 Cb 0.50 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 3hiy h TYR 156 CO 0.02 0.65 0.02 0.78 -1.05 0.00 0.00 178.16 178.58 3hiy h GLY 157 N 0.30 0.35 0.70 3.88 0.00 0.43 0.42 103.07 109.16 3hiy h GLY 157 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3hiy h GLY 157 CO 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 176.54 176.49 3hiy h ALA 158 N 1.28 0.07 0.26 3.60 0.00 -1.19 0.86 119.26 124.15 3hiy h ALA 158 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hiy h ALA 158 Cb 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3hiy h ALA 158 CO -0.26 -0.24 -0.44 -0.92 0.00 0.00 0.00 179.25 177.39 3hiy h TYR 159 N -0.22 -1.23 -0.77 0.00 3.20 -1.09 0.95 116.97 117.81 3hiy h TYR 159 Ca 0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3hiy h TYR 159 Cb 0.36 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 3hiy h TYR 159 CO 0.04 -0.56 0.51 0.82 -1.64 0.00 0.00 178.16 177.33 3hiy h ILE 160 N -0.77 1.19 -0.26 1.81 1.08 -0.11 -1.52 117.51 118.94 3hiy h ILE 160 Ca -0.01 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3hiy h ILE 160 Cb 0.74 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 3hiy h ILE 160 CO -0.17 0.19 -0.07 -0.74 -0.69 0.00 0.00 178.15 176.67 3hiy h HIS 161 N 1.04 -0.14 -0.30 1.37 2.76 0.12 0.61 115.15 120.61 3hiy h HIS 161 Ca 0.29 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.37 3hiy h HIS 161 Cb -0.11 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3hiy h HIS 161 CO -0.02 -0.11 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.14 3hiy h LEU 162 N -0.00 0.63 -0.69 0.26 3.38 -0.46 0.74 115.31 119.17 3hiy h LEU 162 Ca 0.12 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hiy h LEU 162 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hiy h LEU 162 CO -0.27 0.89 0.24 0.58 0.09 0.00 0.00 178.44 179.98 3hiy h VAL 163 N 0.53 1.25 0.06 1.22 2.07 -1.11 0.51 116.25 120.78 3hiy h VAL 163 Ca 0.07 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3hiy h VAL 163 Cb 0.77 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hiy h VAL 163 CO 0.06 0.32 -0.03 0.11 0.02 0.00 0.00 177.57 178.06 3hiy h LYS 164 N 0.99 -0.08 -0.45 1.57 1.57 -0.06 0.24 116.57 120.35 3hiy h LYS 164 Ca 0.22 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 3hiy h LYS 164 Cb 0.26 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 3hiy h LYS 164 CO -0.01 0.52 -0.13 0.00 -0.57 0.00 0.00 179.45 179.25 3hiy h ALA 165 N 0.02 0.27 0.33 3.86 0.00 0.45 1.08 119.26 125.27 3hiy h ALA 165 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hiy h ALA 165 Cb 0.63 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hiy h ALA 165 CO 0.01 -0.47 -0.49 2.35 0.00 0.00 0.00 179.25 180.66 3hiy h TRP 166 N -0.02 -1.37 -0.18 0.00 7.01 0.02 -0.12 115.95 121.28 3hiy h TRP 166 Ca 0.22 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.28 3hiy h TRP 166 Cb 0.36 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 3hiy h TRP 166 CO -0.41 -0.62 -0.09 0.78 -2.79 0.00 0.00 178.44 175.31 3hiy h GLY 167 N -0.87 0.07 0.49 2.65 0.00 0.55 0.43 103.07 106.39 3hiy h GLY 167 Ca -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3hiy h GLY 167 CO -0.15 -0.11 -0.27 0.50 0.00 0.00 0.00 176.54 176.51 3hiy h LYS 168 N -0.07 -0.67 -1.16 4.80 1.57 0.12 0.88 116.57 122.05 3hiy h LYS 168 Ca 0.10 0.05 0.33 0.00 -1.87 0.00 0.00 60.65 59.25 3hiy h LYS 168 Cb 0.22 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 3hiy h LYS 168 CO -0.23 -0.45 0.77 0.00 -0.57 0.00 0.00 179.45 178.97 3hiy h ALA 169 N -1.58 2.59 -0.57 3.86 0.00 -0.90 0.81 119.26 123.47 3hiy h ALA 169 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hiy h ALA 169 Cb 0.54 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hiy h ALA 169 CO 0.09 -1.03 0.00 0.54 0.00 0.00 0.00 179.25 178.85 3hiy n ARG 170 N -4.52 2.43 -2.27 0.00 5.12 0.15 -3.08 116.66 114.49 3hiy n ARG 170 Ca 0.28 -2.21 -0.20 0.00 -1.93 0.00 0.00 57.85 53.79 3hiy n ARG 170 Cb 1.11 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.90 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 1.32 -1.68 0.05 5.56 1.02 0.28 -4.79 120.64 122.40 3hiy n GLU 171 Ca 0.21 1.02 -0.22 0.00 -0.02 0.00 0.00 57.16 58.15 3hiy n GLU 171 Cb 0.53 -5.64 -0.15 0.00 -0.02 0.00 0.00 31.44 26.17 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 1.19 -3.18 2.62 2.07 0.46 -3.38 116.25 116.03 3hiy h VAL 172 Ca -0.47 -2.50 -0.74 0.00 0.82 0.00 0.00 66.70 63.81 3hiy h VAL 172 Cb 1.35 2.91 -0.22 0.00 -1.52 0.00 0.00 31.29 33.81 3hiy h VAL 172 CO 0.58 0.74 0.25 -0.63 0.02 0.00 0.00 177.57 178.53 3hiy s ILE 173 N -2.49 5.17 -0.41 4.57 1.01 -0.89 -1.83 121.20 126.33 3hiy s ILE 173 Ca -0.16 -1.80 0.04 0.00 0.00 0.00 0.00 60.65 58.72 3hiy s ILE 173 Cb 0.03 -4.54 0.17 0.00 0.01 0.00 0.00 42.46 38.13 3hiy s ILE 173 CO 0.82 -1.16 0.36 0.00 0.00 0.00 0.00 174.94 174.96 3hiy s ALA 174 N 1.53 0.88 0.03 9.38 0.00 -0.46 -4.24 121.76 128.87 3hiy s ALA 174 Ca 0.19 -2.07 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 3hiy s ALA 174 Cb -0.14 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 3hiy s ALA 174 CO -0.04 -2.03 1.19 -1.00 0.00 0.00 0.00 175.76 173.88 3hiy h PRO 175 N 5.90 -0.34 0.00 0.00 0.13 -1.74 -1.67 132.00 134.28 3hiy h PRO 175 Ca 0.20 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3hiy h PRO 175 Cb 0.95 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3hiy h PRO 175 CO 0.31 -0.22 0.00 -1.91 -0.23 0.00 0.00 178.00 175.94 3hiy n GLU 176 N -3.36 0.00 -0.61 0.86 2.13 -1.26 -1.04 120.64 117.36 3hiy n GLU 176 Ca -0.04 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.83 3hiy n GLU 176 Cb 0.16 -1.08 0.11 0.00 0.27 0.00 0.00 31.44 30.89 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 -0.53 0.83 -0.99 5.31 1.74 -0.68 -5.02 116.66 117.33 3hiy n ARG 177 Ca 0.00 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 3hiy n ARG 177 Cb 0.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.64 -1.18 0.00 0.55 3.41 -0.21 -4.96 113.62 110.59 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 0.77 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.39 0.00 -2.49 6.66 -2.24 -0.89 -4.17 114.28 108.75 3hiy n THR 179 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 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 4.63 2.76 0.35 4.78 0.08 -0.76 -4.51 117.98 125.32 3hiy s PHE 180 Ca 0.00 0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.24 3hiy s PHE 180 Cb 0.00 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 3hiy s PHE 180 CO 0.00 -1.12 0.12 0.54 -0.10 0.00 0.00 175.22 174.66 3hiy s ASN 181 N -4.48 4.58 0.35 1.36 2.20 -1.26 -1.36 114.94 116.33 3hiy s ASN 181 Ca 0.59 -0.83 0.14 0.00 -0.94 0.00 0.00 52.86 51.82 3hiy s ASN 181 Cb -0.10 -0.67 1.00 0.00 -2.00 0.00 0.00 41.25 39.48 3hiy s ASN 181 CO 0.41 -0.31 1.73 0.28 -2.94 0.00 0.00 177.10 176.27 3hiy h SER 182 N 1.58 0.57 -0.07 3.54 0.02 -1.96 -0.99 113.55 116.24 3hiy h SER 182 Ca -0.43 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.41 3hiy h SER 182 Cb 1.25 0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.84 3hiy h SER 182 CO 0.64 0.07 -0.85 0.15 -1.14 0.00 0.00 176.83 175.70 3hiy h PHE 183 N 0.48 0.99 -0.71 3.45 3.57 -1.98 0.12 116.94 122.86 3hiy h PHE 183 Ca 0.64 -0.49 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3hiy h PHE 183 Cb 1.42 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 3hiy h PHE 183 CO -0.01 1.32 0.40 1.15 -2.23 0.00 0.00 178.31 178.95 3hiy h THR 184 N 0.38 0.98 -0.09 4.41 2.02 -1.53 -1.62 112.91 117.46 3hiy h THR 184 Ca -0.09 -0.25 -0.22 0.00 0.77 0.00 0.00 66.41 66.62 3hiy h THR 184 Cb 1.50 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3hiy h THR 184 CO 0.17 0.13 -0.82 0.58 0.37 0.00 0.00 175.52 175.95 3hiy h VAL 185 N 0.74 1.32 -0.72 3.16 2.07 -1.19 -1.89 116.25 119.75 3hiy h VAL 185 Ca 0.31 -2.12 0.08 0.00 0.82 0.00 0.00 66.70 65.80 3hiy h VAL 185 Cb 0.19 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3hiy h VAL 185 CO -0.18 0.65 0.38 0.74 0.02 0.00 0.00 177.57 179.19 3hiy h THR 186 N 0.40 0.89 0.00 2.57 2.02 -0.57 -1.46 112.91 116.76 3hiy h THR 186 Ca -0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hiy h THR 186 Cb 1.44 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3hiy h THR 186 CO 0.16 0.12 0.00 0.41 0.37 0.00 0.00 175.52 176.58 3hiy n THR 187 N -4.82 0.34 0.00 3.16 -1.04 -0.62 -1.39 114.28 109.91 3hiy n THR 187 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3hiy n THR 187 Cb 0.25 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.61 0.00 0.05 2.41 0.00 -0.55 -4.72 120.51 118.32 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 2.42 0.00 0.00 4.77 -0.49 -2.80 117.00 120.90 3hiy n LEU 190 Ca 0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3hiy n LEU 190 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3hiy n LEU 190 CO 0.00 0.44 0.00 0.52 -1.33 0.00 0.00 177.39 177.02 3hiy n VAL 192 N 1.33 0.00 -0.05 4.08 0.31 -1.26 -1.99 118.33 120.75 3hiy n VAL 192 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3hiy n VAL 192 Cb 0.27 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.27 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 0.73 -0.52 7.52 3.38 -1.91 -2.03 115.31 122.48 3hiy h LEU 193 Ca 0.00 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hiy h LEU 193 Cb 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3hiy h LEU 193 CO 0.00 1.03 0.25 1.56 0.09 0.00 0.00 178.44 181.37 3hiy h GLN 194 N 0.57 0.47 0.00 1.13 4.20 -1.57 0.61 115.11 120.52 3hiy h GLN 194 Ca 0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3hiy h GLN 194 Cb 0.91 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3hiy h GLN 194 CO 0.08 0.31 -0.18 0.93 -0.67 0.00 0.00 178.83 179.30 3hiy h GLU 195 N 0.49 0.00 -0.00 1.46 4.39 -1.82 -0.44 114.58 118.66 3hiy h GLU 195 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3hiy h GLU 195 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3hiy h GLU 195 CO -0.18 0.18 -0.16 1.28 -1.16 0.00 0.00 179.01 178.97 3hiy n LEU 196 N -3.34 0.35 -0.11 1.33 4.77 -0.78 -4.92 117.00 114.30 3hiy n LEU 196 Ca 0.00 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3hiy n LEU 196 Cb 0.40 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hiy n LEU 196 CO 0.32 0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 177.05 3hiy n GLY 197 N 1.38 0.45 0.73 -0.72 0.00 -0.17 -4.93 105.19 101.92 3hiy n GLY 197 Ca 0.11 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.15 2.76 -3.60 0.99 4.77 0.20 -4.84 117.00 117.13 3hiy n LEU 198 Ca -0.01 -1.53 -0.15 0.00 -0.03 0.00 0.00 56.01 54.29 3hiy n LEU 198 Cb 0.14 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3hiy n LEU 198 CO 0.02 0.62 0.26 -0.22 -1.33 0.00 0.00 177.39 176.74 3hiy s LEU 199 N -1.11 -0.02 0.49 2.23 2.96 -1.09 -4.83 118.68 117.31 3hiy s LEU 199 Ca 0.24 0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 3hiy s LEU 199 Cb 0.14 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 48.83 3hiy s LEU 199 CO 0.20 -0.63 0.85 -2.16 -1.32 0.00 0.00 176.35 173.29 3hiy s PRO 200 N -1.85 3.67 -0.28 0.98 0.04 -1.26 -4.24 135.00 132.06 3hiy s PRO 200 Ca -0.09 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.21 3hiy s PRO 200 Cb -0.01 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3hiy s PRO 200 CO 0.03 -0.24 0.72 0.08 0.04 0.00 0.00 177.00 177.63 3hiy s VAL 201 N -2.71 4.88 -1.58 -0.36 1.01 -1.26 -4.88 120.40 115.49 3hiy s VAL 201 Ca 0.51 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.57 3hiy s VAL 201 Cb -0.10 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3hiy s VAL 201 CO 0.41 -0.12 2.86 0.49 0.00 0.00 0.00 175.10 178.74 3hiy n PHE 202 N 5.97 2.50 0.79 5.22 3.72 -0.47 -4.74 117.46 130.44 3hiy n PHE 202 Ca 0.02 -3.06 0.10 0.00 -0.05 0.00 0.00 57.45 54.46 3hiy n PHE 202 Cb 0.48 -2.42 0.47 0.00 -0.94 0.00 0.00 39.48 37.07 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 3.49 0.00 -3.36 4.37 3.41 -1.20 -4.09 113.62 116.25 3hiy n SER 203 Ca 0.76 0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 59.50 3hiy n SER 203 Cb 0.24 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.46 1.58 -1.95 4.33 4.81 -1.26 -4.95 118.16 119.27 3hiy n LYS 204 Ca 0.06 -3.97 -0.34 0.00 -0.87 0.00 0.00 58.31 53.19 3hiy n LYS 204 Cb 0.23 -1.79 0.03 0.00 0.02 0.00 0.00 35.03 33.53 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 -1.72 2.97 0.00 1.64 0.04 -1.26 -4.97 135.00 131.71 3hiy s PRO 205 Ca 0.36 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.98 3hiy s PRO 205 Cb 0.14 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.76 3hiy s PRO 205 CO -0.07 -1.14 0.99 0.25 0.04 0.00 0.00 177.00 177.07 3hiy n THR 206 N -1.93 0.00 -1.11 1.26 -2.24 -1.07 -4.85 114.28 104.34 3hiy n THR 206 Ca 0.11 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 3hiy n THR 206 Cb 0.51 0.52 0.11 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.05 1.71 0.54 3.38 0.00 0.37 -4.89 107.32 107.39 3hiy s GLY 207 Ca 0.03 0.39 0.39 0.00 0.00 0.00 0.00 44.72 45.53 3hiy s GLY 207 CO -0.02 0.76 1.76 0.83 0.00 0.00 0.00 173.10 176.43 3hiy h GLU 208 N -1.30 0.00 -0.12 2.90 5.08 -1.98 0.07 114.58 119.23 3hiy h GLU 208 Ca -0.44 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3hiy h GLU 208 Cb 1.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hiy h GLU 208 CO 0.48 0.00 -0.11 1.19 -1.00 0.00 0.00 179.01 179.58 3hiy n PHE 209 N -4.14 0.40 -1.00 4.33 3.72 -1.26 -4.94 117.46 114.58 3hiy n PHE 209 Ca 0.29 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.53 3hiy n PHE 209 Cb 1.40 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.67 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 -1.11 0.41 3.90 1.37 0.00 0.01 -4.64 105.19 105.13 3hiy n GLY 210 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hiy n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hiy s GLU 211 N -0.42 2.87 0.12 1.61 8.01 -1.26 -4.66 118.70 124.97 3hiy s GLU 211 Ca 0.00 0.29 -0.30 0.00 0.01 0.00 0.00 54.97 54.97 3hiy s GLU 211 Cb 0.00 -2.11 -0.06 0.00 -4.31 0.00 0.00 34.13 27.65 3hiy s GLU 211 CO 0.00 -0.92 1.02 -1.17 0.01 0.00 0.00 175.26 174.20 3hiy s LEU 212 N -5.23 4.48 0.29 1.80 2.96 0.15 -0.48 118.68 122.66 3hiy s LEU 212 Ca 0.57 1.88 0.07 0.00 -0.22 0.00 0.00 54.13 56.43 3hiy s LEU 212 Cb -0.11 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 3hiy s LEU 212 CO 0.49 -0.15 0.25 0.42 -1.32 0.00 0.00 176.35 176.05 3hiy s THR 213 N 0.08 4.05 0.25 3.68 -4.23 -1.26 -4.42 115.64 113.79 3hiy s THR 213 Ca 0.49 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3hiy s THR 213 Cb -0.25 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.48 3hiy s THR 213 CO 0.31 -0.26 1.78 0.58 -0.54 0.00 0.00 174.62 176.49 3hiy h VAL 214 N 1.35 0.83 -0.94 2.29 2.07 -1.97 -1.20 116.25 118.68 3hiy h VAL 214 Ca -0.47 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3hiy h VAL 214 Cb 1.25 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3hiy h VAL 214 CO 0.59 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.91 3hiy h ALA 215 N 1.48 1.28 -0.63 1.67 0.00 -1.99 0.24 119.26 121.32 3hiy h ALA 215 Ca 0.41 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.32 3hiy h ALA 215 Cb 0.47 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hiy h ALA 215 CO -0.29 0.40 0.39 -0.44 0.00 0.00 0.00 179.25 179.30 3hiy h ASP 216 N 1.11 0.63 -0.06 0.00 3.32 -1.63 -3.24 116.42 116.55 3hiy h ASP 216 Ca 0.40 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 3hiy h ASP 216 Cb 0.13 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hiy h ASP 216 CO -0.16 0.44 -0.33 0.00 -1.72 0.00 0.00 179.24 177.47 3hiy h ALA 217 N 1.28 0.12 0.00 3.45 0.00 -0.43 -2.85 119.26 120.83 3hiy h ALA 217 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hiy h ALA 217 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hiy h ALA 217 CO -0.11 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.72 3hiy n GLU 218 N -4.42 0.01 0.00 0.00 1.02 0.72 -1.12 120.64 116.85 3hiy n GLU 218 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3hiy n GLU 218 Cb 0.51 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.94 0.00 0.30 -4.62 7.94 -1.08 -1.36 117.00 119.12 3hiy n LEU 220 Ca 0.00 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.09 3hiy n LEU 220 Cb 0.00 0.00 0.86 0.00 0.53 0.00 0.00 43.42 44.82 3hiy n LEU 220 CO 0.00 0.00 1.06 -0.07 -1.11 0.00 0.00 177.39 177.27 3hiy h LEU 221 N 0.00 0.00 -0.12 -1.96 3.38 -1.40 -0.48 115.31 114.73 3hiy h LEU 221 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3hiy h LEU 221 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hiy h LEU 221 CO 0.00 0.00 -0.99 1.56 0.09 0.00 0.00 178.44 179.10 3hiy h GLN 222 N 0.00 0.44 0.00 1.13 4.20 -1.47 -3.30 115.11 116.10 3hiy h GLN 222 Ca 0.00 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.16 3hiy h GLN 222 Cb 0.34 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3hiy h GLN 222 CO 0.00 1.15 -0.33 1.49 -0.67 0.00 0.00 178.83 180.47 3hiy h GLU 223 N 0.24 0.00 -6.62 1.46 4.57 -1.58 -3.46 114.58 109.19 3hiy h GLU 223 Ca -0.09 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.56 3hiy h GLU 223 Cb 1.64 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 30.25 3hiy h GLU 223 CO 0.17 0.28 0.65 0.12 -1.18 0.00 0.00 179.01 179.05 3hiy s PHE 224 N -3.07 3.30 -0.07 0.92 5.36 -0.28 -5.03 117.98 119.10 3hiy s PHE 224 Ca 0.05 1.19 0.04 0.00 -0.96 0.00 0.00 56.93 57.25 3hiy s PHE 224 Cb 0.07 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 3hiy s PHE 224 CO 0.72 -1.85 -0.19 0.15 -1.46 0.00 0.00 175.22 172.58 3hiy s LYS 225 N 0.32 2.25 0.70 10.12 -0.14 -1.26 -4.97 119.74 126.76 3hiy s LYS 225 Ca 0.58 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.36 3hiy s LYS 225 Cb -0.35 -1.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.99 3hiy s LYS 225 CO 0.35 0.20 1.13 -0.51 -0.76 0.00 0.00 175.35 175.76 3hiy s LEU 226 N 0.24 3.31 0.46 3.17 1.43 -1.26 -4.99 118.68 121.03 3hiy s LEU 226 Ca -0.11 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.84 3hiy s LEU 226 Cb -0.15 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.42 3hiy s LEU 226 CO 0.05 -1.89 0.87 -2.65 0.23 0.00 0.00 176.35 172.96 3hiy n PRO 227 N -2.70 1.06 -0.33 1.29 -0.02 -1.26 -4.88 135.00 128.16 3hiy n PRO 227 Ca 0.11 0.39 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 3hiy n PRO 227 Cb 0.52 -1.92 0.44 0.00 -0.02 0.00 0.00 33.50 32.52 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 1.13 0.49 -0.13 0.52 0.11 -2.04 -0.80 132.00 131.28 3hiy h PRO 228 Ca -0.44 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.68 3hiy h PRO 228 Cb 1.36 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3hiy h PRO 228 CO 0.54 0.33 0.23 0.97 -0.21 0.00 0.00 178.00 179.85 3hiy h ILE 229 N 0.51 0.27 0.00 4.15 6.09 -2.04 -2.41 117.51 124.08 3hiy h ILE 229 Ca 0.60 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.09 3hiy h ILE 229 Cb 1.31 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.40 3hiy h ILE 229 CO -0.35 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.61 3hiy h TYR 230 N 0.00 0.00 0.00 2.19 0.05 -1.48 -2.85 116.97 114.88 3hiy h TYR 230 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3hiy h TYR 230 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 3hiy h TYR 230 CO 0.00 0.00 -0.26 -0.44 -1.05 0.00 0.00 178.16 176.41 3hiy h ASP 231 N 0.00 0.00 0.39 3.88 3.32 -1.64 -2.74 116.42 119.62 3hiy h ASP 231 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hiy h ASP 231 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hiy h ASP 231 CO 0.00 0.02 -0.04 -1.54 -1.72 0.00 0.00 179.24 175.96 3hiy n SER 232 N -2.50 0.22 -0.74 6.45 3.41 -1.08 -4.10 113.62 115.27 3hiy n SER 232 Ca 0.04 -0.47 0.13 0.00 -0.26 0.00 0.00 58.87 58.30 3hiy n SER 232 Cb 0.47 -0.15 0.31 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.08 2.29 0.12 1.04 4.32 -1.03 -4.27 117.00 118.39 3hiy n LEU 233 Ca 0.16 -0.81 0.05 0.00 -0.02 0.00 0.00 56.01 55.38 3hiy n LEU 233 Cb 0.24 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 42.02 3hiy n LEU 233 CO 0.22 0.41 0.28 0.45 -1.22 0.00 0.00 177.39 177.53 3hiy h HIS 234 N 3.46 0.00 0.00 -1.77 3.86 -1.74 -3.34 115.15 115.62 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 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3hiy h HIS 234 CO 0.04 0.35 -0.07 -0.25 0.86 0.00 0.00 177.93 178.86 3hiy n ASP 235 N -3.03 1.72 -3.59 2.45 9.92 -1.26 -4.93 116.55 117.83 3hiy n ASP 235 Ca -0.01 -2.43 -0.29 0.00 -0.53 0.00 0.00 54.79 51.53 3hiy n ASP 235 Cb 0.69 -0.23 -0.14 0.00 -0.64 0.00 0.00 41.12 40.81 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 -1.80 3.53 0.57 -2.24 -1.08 -1.25 -5.00 116.67 109.40 3hiy s ASP 236 Ca 0.15 -1.76 0.35 0.00 -0.52 0.00 0.00 52.55 50.77 3hiy s ASP 236 Cb 0.13 -0.57 1.67 0.00 -1.46 0.00 0.00 42.92 42.69 3hiy s ASP 236 CO 0.01 -0.38 2.11 0.44 0.52 0.00 0.00 175.17 177.88 3hiy h ASP 237 N 7.78 0.00 0.09 -0.34 5.19 -1.92 -0.93 116.42 126.29 3hiy h ASP 237 Ca -0.10 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.11 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 0.41 0.04 -0.75 -0.08 -3.12 0.00 0.00 179.24 175.74 3hiy h GLU 238 N 0.00 0.57 -0.05 3.56 4.81 -1.95 -1.96 114.58 119.56 3hiy h GLU 238 Ca -0.00 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 3hiy h GLU 238 Cb 0.33 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.82 3hiy h GLU 238 CO 0.01 1.09 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.82 3hiy h LYS 239 N 0.39 0.31 0.06 1.92 3.64 -1.77 -2.75 116.57 118.36 3hiy h LYS 239 Ca -0.04 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3hiy h LYS 239 Cb 1.35 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3hiy h LYS 239 CO 0.14 0.93 -0.03 1.25 -2.27 0.00 0.00 179.45 179.47 3hiy h LEU 240 N -0.23 -0.07 -1.38 5.20 5.85 -1.31 -1.81 115.31 121.56 3hiy h LEU 240 Ca -0.03 -0.06 0.22 0.00 0.84 0.00 0.00 57.88 58.85 3hiy h LEU 240 Cb 1.01 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 3hiy h LEU 240 CO 0.07 0.01 0.62 1.23 -0.34 0.00 0.00 178.44 180.03 3hiy h GLY 241 N -0.15 1.13 0.88 3.75 0.00 -1.44 0.24 103.07 107.47 3hiy h GLY 241 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3hiy h GLY 241 CO 0.01 -0.05 0.06 0.83 0.00 0.00 0.00 176.54 177.40 3hiy h GLU 242 N 0.47 0.41 -0.42 4.80 4.39 -1.09 0.58 114.58 123.73 3hiy h GLU 242 Ca 0.53 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 3hiy h GLU 242 Cb 1.22 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3hiy h GLU 242 CO -0.25 0.51 0.18 0.00 -1.16 0.00 0.00 179.01 178.29 3hiy h ALA 243 N 0.88 0.54 -0.63 3.43 0.00 -0.08 0.82 119.26 124.22 3hiy h ALA 243 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hiy h ALA 243 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hiy h ALA 243 CO 0.00 0.12 0.30 0.28 0.00 0.00 0.00 179.25 179.95 3hiy h VAL 244 N 0.53 1.22 -0.78 0.00 2.07 -0.59 -1.79 116.25 116.91 3hiy h VAL 244 Ca 0.14 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hiy h VAL 244 Cb 0.15 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3hiy h VAL 244 CO -0.01 0.26 0.39 0.15 0.02 0.00 0.00 177.57 178.37 3hiy h PHE 245 N 0.87 1.11 -0.01 1.57 3.57 -0.57 0.58 116.94 124.07 3hiy h PHE 245 Ca 0.22 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3hiy h PHE 245 Cb 0.13 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3hiy h PHE 245 CO 0.00 0.80 -0.19 0.35 -2.23 0.00 0.00 178.31 177.04 3hiy h PHE 246 N 1.10 -0.51 -0.74 0.41 3.57 -0.38 0.17 116.94 120.55 3hiy h PHE 246 Ca 0.27 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3hiy h PHE 246 Cb 0.10 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3hiy h PHE 246 CO 0.01 -0.28 0.34 0.00 -2.23 0.00 0.00 178.31 176.16 3hiy h LEU 248 N 1.05 0.49 -0.15 0.00 3.38 -0.60 0.31 115.31 119.79 3hiy h LEU 248 Ca 0.25 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3hiy h LEU 248 Cb 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hiy h LEU 248 CO -0.03 0.36 -0.05 1.56 0.09 0.00 0.00 178.44 180.36 3hiy h GLN 249 N 0.60 -0.02 -0.15 1.13 4.20 -0.15 0.20 115.11 120.90 3hiy h GLN 249 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3hiy h GLN 249 Cb -0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3hiy h GLN 249 CO -0.06 -0.02 -0.00 0.00 -0.67 0.00 0.00 178.83 178.08 3hiy h ARG 250 N -0.02 0.21 0.04 1.46 2.47 -0.76 -0.14 114.38 117.63 3hiy h ARG 250 Ca 0.08 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3hiy h ARG 250 Cb 0.14 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3hiy h ARG 250 CO -0.17 0.24 -0.02 0.35 0.56 0.00 0.00 179.97 180.94 3hiy h PHE 251 N 0.21 -0.04 -0.54 3.04 3.57 0.34 -0.05 116.94 123.47 3hiy h PHE 251 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3hiy h PHE 251 Cb 0.16 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 3hiy h PHE 251 CO 0.00 0.47 0.16 0.00 -2.23 0.00 0.00 178.31 176.72 3hiy h ALA 252 N 0.33 0.65 0.69 2.41 0.00 -0.39 -2.86 119.26 120.10 3hiy h ALA 252 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hiy h ALA 252 Cb 0.54 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hiy h ALA 252 CO 0.01 -0.25 -0.33 1.49 0.00 0.00 0.00 179.25 180.17 3hiy h GLU 253 N 0.32 -0.89 -0.44 0.00 4.81 -1.00 -2.82 114.58 114.55 3hiy h GLU 253 Ca 0.27 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 3hiy h GLU 253 Cb 0.34 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 3hiy h GLU 253 CO -0.30 -0.57 -0.56 -0.92 -0.73 0.00 0.00 179.01 175.92 3hiy h TYR 254 N -1.00 -1.72 0.00 0.92 3.20 -0.84 -1.44 116.97 116.09 3hiy h TYR 254 Ca -0.09 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hiy h TYR 254 Cb 0.73 0.81 0.00 0.00 1.54 0.00 0.00 36.73 39.81 3hiy h TYR 254 CO -0.01 -0.48 0.00 0.66 -1.64 0.00 0.00 178.16 176.68 3hiy n TYR 255 N -5.36 0.00 0.10 -3.82 4.01 -1.09 -0.32 117.16 110.68 3hiy n TYR 255 Ca -0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 3hiy n TYR 255 Cb 0.34 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 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 3.21 0.57 -0.00 -0.72 0.00 -1.00 -3.39 119.26 117.92 3hiy h ALA 256 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3hiy h ALA 256 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hiy h ALA 256 CO 0.00 0.99 -0.04 0.36 0.00 0.00 0.00 179.25 180.56 3hiy n LYS 257 N -3.42 1.12 -2.29 0.00 2.85 -0.59 -4.88 118.16 110.95 3hiy n LYS 257 Ca 0.00 -0.53 -0.42 0.00 -1.05 0.00 0.00 58.31 56.31 3hiy n LYS 257 Cb 0.81 -0.96 -0.03 0.00 -0.65 0.00 0.00 35.03 34.20 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 -0.54 3.06 -0.79 5.58 5.04 0.57 -4.96 117.35 125.31 3hiy s TYR 258 Ca 0.03 0.99 -0.26 0.00 -2.44 0.00 0.00 57.07 55.39 3hiy s TYR 258 Cb 0.03 -3.58 0.03 0.00 0.35 0.00 0.00 41.96 38.78 3hiy s TYR 258 CO 0.06 -2.04 1.41 0.16 -1.34 0.00 0.00 175.55 173.80 3hiy s ASP 259 N 1.57 6.10 0.17 4.32 -4.77 -1.26 -4.79 116.67 118.01 3hiy s ASP 259 Ca 0.62 -0.59 0.26 0.00 -3.30 0.00 0.00 52.55 49.53 3hiy s ASP 259 Cb -0.31 -2.56 0.70 0.00 -1.09 0.00 0.00 42.92 39.67 3hiy s ASP 259 CO 0.27 -1.86 1.65 0.49 0.70 0.00 0.00 175.17 176.42 3hiy n PHE 260 N 9.81 0.75 0.33 2.11 3.72 -1.26 -1.33 117.46 131.59 3hiy n PHE 260 Ca 0.13 0.22 0.15 0.00 -0.05 0.00 0.00 57.45 57.89 3hiy n PHE 260 Cb 0.50 -0.82 0.63 0.00 -0.94 0.00 0.00 39.48 38.84 3hiy n PHE 260 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hiy h SER 261 N 0.00 0.00 0.00 4.37 4.64 -1.89 -3.32 113.55 117.34 3hiy h SER 261 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3hiy h SER 261 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3hiy h SER 261 CO 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 176.83 175.27 3hiy n ALA 262 N -1.90 2.71 -2.13 5.18 0.00 -1.21 -4.89 120.51 118.27 3hiy n ALA 262 Ca 0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 3hiy n ALA 262 Cb 0.22 0.33 0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.60 1.76 0.36 0.00 0.00 -0.44 0.11 107.32 104.51 3hiy s GLY 263 Ca -0.05 -1.35 0.07 0.00 0.00 0.00 0.00 44.72 43.39 3hiy s GLY 263 CO 0.07 -1.13 -0.02 -0.51 0.00 0.00 0.00 173.10 171.51 3hiy s THR 264 N -2.56 1.86 -0.21 0.90 -4.23 -0.09 -4.39 115.64 106.93 3hiy s THR 264 Ca 0.53 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.87 3hiy s THR 264 Cb -0.10 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 3hiy s THR 264 CO 0.36 -0.09 0.15 -0.69 -0.54 0.00 0.00 174.62 173.82 3hiy s VAL 265 N -2.84 5.39 -0.20 2.29 1.01 0.20 -2.85 120.40 123.39 3hiy s VAL 265 Ca 0.34 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 3hiy s VAL 265 Cb 0.07 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 33.02 3hiy s VAL 265 CO 0.16 0.41 0.51 -0.55 0.00 0.00 0.00 175.10 175.64 3hiy s SER 266 N 0.52 -0.58 0.06 3.32 0.15 -1.26 -0.71 113.70 115.20 3hiy s SER 266 Ca 0.09 1.06 0.26 0.00 0.70 0.00 0.00 55.95 58.06 3hiy s SER 266 Cb -0.12 1.03 0.73 0.00 -1.71 0.00 0.00 66.02 65.96 3hiy s SER 266 CO -0.00 -0.19 1.60 0.18 1.20 0.00 0.00 173.24 176.03 3hiy n LEU 267 N 3.34 0.45 -0.05 3.45 4.77 -1.26 -3.35 117.00 124.34 3hiy n LEU 267 Ca -0.17 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 3hiy n LEU 267 Cb 0.56 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 3hiy n LEU 267 CO 0.08 -0.00 -0.77 -0.38 -1.33 0.00 0.00 177.39 174.98 3hiy n ILE 268 N -1.76 1.66 -3.35 -0.08 5.41 -1.26 -1.36 119.36 118.61 3hiy n ILE 268 Ca 0.05 -0.40 -0.26 0.00 1.00 0.00 0.00 62.75 63.15 3hiy n ILE 268 Cb 0.38 -1.84 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 3hiy n ILE 268 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3hiy s HIS 269 N -2.48 0.91 0.19 1.39 5.04 -1.26 -3.22 115.29 115.86 3hiy s HIS 269 Ca -0.26 -2.21 -0.32 0.00 -1.54 0.00 0.00 55.06 50.72 3hiy s HIS 269 Cb 0.07 -0.84 -0.15 0.00 0.04 0.00 0.00 32.58 31.71 3hiy s HIS 269 CO 0.68 -0.86 1.30 -2.30 -2.34 0.00 0.00 174.74 171.22 3hiy n PRO 270 N 2.88 1.57 -1.02 2.88 -0.02 -1.21 -1.65 135.00 138.42 3hiy n PRO 270 Ca 0.29 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 62.32 3hiy n PRO 270 Cb 0.48 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.02 -0.55 -1.71 -0.52 1.74 -1.13 -4.96 116.66 111.55 3hiy n ARG 271 Ca 0.14 0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.98 3hiy n ARG 271 Cb 0.27 -3.65 -0.02 0.00 -1.02 0.00 0.00 32.46 28.04 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 -1.97 2.37 -1.83 5.56 0.63 -0.66 -4.24 116.66 116.52 3hiy n ARG 272 Ca -0.01 0.84 -0.37 0.00 -0.92 0.00 0.00 57.85 57.40 3hiy n ARG 272 Cb 0.15 -2.56 0.05 0.00 0.45 0.00 0.00 32.46 30.54 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 -0.04 2.20 0.23 -0.14 5.65 -1.26 -0.91 115.29 121.02 3hiy s HIS 273 Ca 0.66 1.47 -0.07 0.00 0.25 0.00 0.00 55.06 57.38 3hiy s HIS 273 Cb -0.57 -3.66 0.33 0.00 -1.18 0.00 0.00 32.58 27.50 3hiy s HIS 273 CO 0.49 -2.72 1.80 0.00 -0.65 0.00 0.00 174.74 173.66 3hiy h ARG 274 N 0.81 0.67 0.00 2.88 3.08 0.48 -0.71 114.38 121.60 3hiy h ARG 274 Ca -0.51 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 3hiy h ARG 274 Cb 1.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3hiy h ARG 274 CO 0.54 0.44 -0.19 1.79 -1.07 0.00 0.00 179.97 181.48 3hiy h THR 275 N 0.69 0.39 -0.04 2.04 1.35 -1.89 0.13 112.91 115.58 3hiy h THR 275 Ca 0.35 -1.26 -0.22 0.00 -0.55 0.00 0.00 66.41 64.73 3hiy h THR 275 Cb 0.31 1.95 0.02 0.00 -1.73 0.00 0.00 68.15 68.70 3hiy h THR 275 CO -0.24 0.19 -0.85 0.58 -0.25 0.00 0.00 175.52 174.96 3hiy h VAL 276 N 0.00 1.32 -0.71 6.82 2.07 -1.74 -2.79 116.25 121.21 3hiy h VAL 276 Ca -0.00 -2.11 0.09 0.00 0.82 0.00 0.00 66.70 65.50 3hiy h VAL 276 Cb 0.94 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 3hiy h VAL 276 CO 0.03 0.65 0.36 0.22 0.02 0.00 0.00 177.57 178.84 3hiy h TYR 277 N 0.30 0.64 -0.63 1.57 3.20 -0.68 0.14 116.97 121.51 3hiy h TYR 277 Ca -0.09 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.91 3hiy h TYR 277 Cb 1.51 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.51 3hiy h TYR 277 CO 0.11 0.24 0.20 1.49 -1.64 0.00 0.00 178.16 178.56 3hiy h GLU 278 N 0.61 0.35 -0.14 1.82 4.81 -0.96 0.34 114.58 121.41 3hiy h GLU 278 Ca 0.35 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 3hiy h GLU 278 Cb 0.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3hiy h GLU 278 CO -0.26 0.23 -0.55 -0.09 -0.73 0.00 0.00 179.01 177.61 3hiy h ARG 279 N 0.36 0.42 -0.45 1.92 9.65 -1.01 -0.94 114.38 124.34 3hiy h ARG 279 Ca 0.33 -0.27 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3hiy h ARG 279 Cb 0.45 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3hiy h ARG 279 CO -0.35 0.86 0.09 0.28 2.80 0.00 0.00 179.97 183.64 3hiy h VAL 280 N 0.33 1.24 -0.20 0.20 2.07 0.07 -1.27 116.25 118.69 3hiy h VAL 280 Ca 0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3hiy h VAL 280 Cb 1.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3hiy h VAL 280 CO 0.10 0.31 0.13 0.58 0.02 0.00 0.00 177.57 178.70 3hiy h VAL 281 N 0.61 1.06 -0.76 2.57 2.07 -0.22 -0.65 116.25 120.92 3hiy h VAL 281 Ca 0.14 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3hiy h VAL 281 Cb 0.36 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3hiy h VAL 281 CO 0.01 0.05 0.45 0.03 0.02 0.00 0.00 177.57 178.14 3hiy h ARG 282 N 0.27 0.81 -0.47 1.57 3.08 -0.95 0.23 114.38 118.92 3hiy h ARG 282 Ca 0.07 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3hiy h ARG 282 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3hiy h ARG 282 CO -0.02 0.54 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.29 3hiy h ARG 283 N 0.84 0.85 0.24 0.04 2.43 -1.08 -1.83 114.38 115.87 3hiy h ARG 283 Ca 0.33 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hiy h ARG 283 Cb 0.16 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3hiy h ARG 283 CO -0.17 0.92 -0.13 1.25 -1.51 0.00 0.00 179.97 180.32 3hiy h HIS 284 N 0.70 -0.35 0.00 2.20 2.76 -0.22 -1.82 115.15 118.42 3hiy h HIS 284 Ca 0.13 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3hiy h HIS 284 Cb 0.56 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 3hiy h HIS 284 CO 0.04 -0.21 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.22 3hiy h LEU 285 N -0.35 0.00 -0.47 0.26 3.38 -0.61 0.26 115.31 117.78 3hiy h LEU 285 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3hiy h LEU 285 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hiy h LEU 285 CO 0.04 0.17 -0.12 -0.33 0.09 0.00 0.00 178.44 178.28 3hiy h GLU 286 N 0.00 0.92 -0.39 1.13 5.08 -0.96 0.62 114.58 120.98 3hiy h GLU 286 Ca -0.00 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 57.84 3hiy h GLU 286 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3hiy h GLU 286 CO 0.02 1.01 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.60 3hiy h LEU 287 N 0.76 1.01 -0.25 1.33 3.38 -0.39 -2.69 115.31 118.46 3hiy h LEU 287 Ca 0.12 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3hiy h LEU 287 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hiy h LEU 287 CO 0.05 1.26 -0.15 0.25 0.09 0.00 0.00 178.44 179.94 3hiy h LEU 288 N 0.77 0.57 -0.94 1.67 6.46 -0.39 -2.82 115.31 120.63 3hiy h LEU 288 Ca 0.06 -0.42 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 3hiy h LEU 288 Cb 0.97 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 3hiy h LEU 288 CO 0.09 0.87 0.59 1.23 -0.62 0.00 0.00 178.44 180.60 3hiy h GLY 289 N 0.27 1.44 0.96 3.75 0.00 0.28 -0.14 103.07 109.63 3hiy h GLY 289 Ca 0.05 -0.43 -0.24 0.00 0.00 0.00 0.00 47.33 46.71 3hiy h GLY 289 CO 0.04 0.28 -1.03 1.48 0.00 0.00 0.00 176.54 177.31 3hiy h SER 290 N 1.06 0.67 -0.45 0.19 4.64 -1.45 -1.40 113.55 116.80 3hiy h SER 290 Ca 0.41 -0.88 0.09 0.00 -0.47 0.00 0.00 61.79 60.95 3hiy h SER 290 Cb 0.21 -0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3hiy h SER 290 CO -0.19 1.49 -0.15 -0.09 -0.87 0.00 0.00 176.83 177.03 3hiy h ARG 291 N -0.05 -0.04 -0.18 4.77 9.65 -1.36 -0.26 114.38 126.90 3hiy h ARG 291 Ca -0.17 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.76 3hiy h ARG 291 Cb 1.77 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 30.31 3hiy h ARG 291 CO 0.20 -0.03 -0.14 -0.22 2.80 0.00 0.00 179.97 182.57 3hiy h LYS 292 N -0.04 -0.15 -0.70 0.20 3.64 -0.97 -1.39 116.57 117.16 3hiy h LYS 292 Ca 0.22 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 3hiy h LYS 292 Cb 0.38 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 3hiy h LYS 292 CO -0.49 -0.10 0.36 -0.09 -2.27 0.00 0.00 179.45 176.86 3hiy h ARG 293 N -0.15 0.61 -0.89 1.90 2.43 -0.97 0.10 114.38 117.41 3hiy h ARG 293 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hiy h ARG 293 Cb 0.32 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3hiy h ARG 293 CO -0.27 0.41 0.47 1.25 -1.51 0.00 0.00 179.97 180.31 3hiy h LEU 294 N 0.63 1.12 -0.14 3.80 6.46 -0.25 -1.87 115.31 125.06 3hiy h LEU 294 Ca 0.34 -0.11 -0.21 0.00 -0.12 0.00 0.00 57.88 57.78 3hiy h LEU 294 Cb 0.31 -0.29 0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3hiy h LEU 294 CO -0.24 0.91 -0.72 -0.33 -0.62 0.00 0.00 178.44 177.44 3hiy h GLU 295 N 1.25 0.74 -0.93 1.25 4.39 -0.49 -1.71 114.58 119.07 3hiy h GLU 295 Ca 0.31 -0.61 0.05 0.00 0.34 0.00 0.00 59.36 59.45 3hiy h GLU 295 Cb 0.05 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 3hiy h GLU 295 CO -0.05 1.22 0.60 -1.49 -1.16 0.00 0.00 179.01 178.13 3hiy h TRP 296 N 0.45 1.12 -0.35 4.33 4.06 -0.96 -1.10 115.95 123.50 3hiy h TRP 296 Ca -0.05 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.83 3hiy h TRP 296 Cb 1.36 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 3hiy h TRP 296 CO 0.09 0.62 -0.19 1.49 -3.56 0.00 0.00 178.44 176.90 3hiy h GLU 297 N 1.14 0.66 -0.36 0.49 4.57 -1.08 -0.72 114.58 119.28 3hiy h GLU 297 Ca 0.38 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 58.17 3hiy h GLU 297 Cb 0.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3hiy h GLU 297 CO -0.14 0.81 -0.36 0.87 -1.18 0.00 0.00 179.01 179.01 3hiy h LYS 298 N 0.59 0.88 -0.55 1.92 1.57 -0.86 -1.34 116.57 118.78 3hiy h LYS 298 Ca 0.09 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3hiy h LYS 298 Cb 0.65 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3hiy h LYS 298 CO 0.05 1.11 0.33 1.25 -0.57 0.00 0.00 179.45 181.62 3hiy h HIS 299 N 0.68 0.73 -0.61 -1.35 2.76 -1.07 -2.70 115.15 113.60 3hiy h HIS 299 Ca 0.06 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3hiy h HIS 299 Cb 0.95 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 3hiy h HIS 299 CO 0.07 0.51 0.25 0.82 -1.30 0.00 0.00 177.93 178.27 3hiy h ILE 300 N 0.74 1.23 -0.17 6.26 2.04 -1.03 0.21 117.51 126.79 3hiy h ILE 300 Ca 0.20 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3hiy h ILE 300 Cb -0.00 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3hiy h ILE 300 CO -0.04 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.53 3hiy h ALA 301 N 1.09 2.03 0.00 1.87 0.00 -1.07 -1.63 119.26 121.55 3hiy h ALA 301 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hiy h ALA 301 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hiy h ALA 301 CO -0.02 -0.22 -1.33 0.39 0.00 0.00 0.00 179.25 178.07 3hiy n GLU 302 N -4.27 0.59 -3.26 0.00 -0.58 -0.80 -4.49 120.64 107.83 3hiy n GLU 302 Ca 0.01 0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.51 3hiy n GLU 302 Cb 0.26 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.36 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 -2.48 1.09 -0.34 -0.32 8.25 0.66 -4.99 115.22 117.09 3hiy n HIS 303 Ca -0.01 -3.78 0.23 0.00 -0.26 0.00 0.00 57.72 53.90 3hiy n HIS 303 Cb 0.55 -0.43 0.48 0.00 1.12 0.00 0.00 29.99 31.71 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 4.00 0.40 0.00 -0.41 1.79 -1.55 0.30 116.57 121.09 3hiy h LYS 304 Ca 0.12 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3hiy h LYS 304 Cb 0.80 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3hiy h LYS 304 CO 0.60 0.26 0.00 1.05 -1.08 0.00 0.00 179.45 180.28 3hiy h GLU 305 N 0.41 0.00 -0.00 3.15 9.09 -1.94 -0.04 114.58 125.25 3hiy h GLU 305 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 3hiy h GLU 305 Cb 1.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.65 3hiy h GLU 305 CO -0.39 0.00 -0.04 -0.25 0.05 0.00 0.00 179.01 178.38 3hiy n ASP 306 N -2.46 0.18 -1.99 3.06 8.00 0.10 -4.91 116.55 118.54 3hiy n ASP 306 Ca 0.01 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3hiy n ASP 306 Cb 0.19 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.26 2.43 3.72 0.44 0.00 -0.03 -4.82 105.19 108.20 3hiy n GLY 307 Ca 0.15 -2.15 -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 -1.97 -0.16 -0.11 1.61 0.04 -1.26 -5.01 135.00 128.14 3hiy s PRO 308 Ca 0.00 -0.04 -0.31 0.00 0.04 0.00 0.00 61.00 60.69 3hiy s PRO 308 Cb 0.00 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 3hiy s PRO 308 CO 0.00 -3.01 2.06 -0.11 0.04 0.00 0.00 177.00 175.98 3hiy n LEU 309 N -4.27 3.54 -4.50 -3.56 0.00 -1.26 -4.89 117.00 102.06 3hiy n LEU 309 Ca 0.12 0.65 -0.43 0.00 0.00 0.00 0.00 56.01 56.35 3hiy n LEU 309 Cb 0.59 -1.48 -0.06 0.00 0.00 0.00 0.00 43.42 42.48 3hiy n LEU 309 CO 0.49 -0.22 0.51 -0.62 0.00 0.00 0.00 177.39 177.55 3hiy s ASP 310 N 5.88 6.32 0.53 1.96 -1.08 -1.26 -4.93 116.67 124.09 3hiy s ASP 310 Ca 0.96 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 52.77 3hiy s ASP 310 Cb -0.50 -2.36 1.47 0.00 -1.46 0.00 0.00 42.92 40.07 3hiy s ASP 310 CO 0.43 -0.97 2.12 -0.33 0.52 0.00 0.00 175.17 176.93 3hiy h GLU 311 N 9.06 0.00 -0.39 4.34 4.39 -1.98 -0.86 114.58 129.14 3hiy h GLU 311 Ca -0.26 0.00 -0.04 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 0.99 0.09 0.07 -0.91 -1.16 0.00 0.00 179.01 178.08 3hiy h ASN 312 N 0.00 0.61 -0.43 1.42 4.21 -1.98 0.80 115.58 120.21 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 0.20 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3hiy h ASN 312 CO 0.01 0.71 0.07 -0.78 -1.29 0.00 0.00 177.43 176.15 3hiy h ASP 313 N 0.49 0.69 -0.10 5.81 3.58 -1.64 -0.12 116.42 125.13 3hiy h ASP 313 Ca 0.12 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 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 0.02 0.15 -2.88 0.00 0.00 179.24 177.31 3hiy h PHE 314 N 0.57 0.16 -0.67 0.28 3.57 -1.17 -1.51 116.94 118.17 3hiy h PHE 314 Ca 0.13 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 3hiy h PHE 314 Cb 0.38 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 3hiy h PHE 314 CO 0.03 0.33 0.25 1.03 -2.23 0.00 0.00 178.31 177.72 3hiy h SER 315 N -0.05 0.22 -0.14 0.41 0.87 -0.60 -2.12 113.55 112.13 3hiy h SER 315 Ca 0.03 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 3hiy h SER 315 Cb 0.25 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hiy h SER 315 CO 0.00 0.11 -0.29 0.00 -0.53 0.00 0.00 176.83 176.12 3hiy h ALA 316 N 1.48 0.94 0.00 6.23 0.00 -0.88 0.20 119.26 127.23 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 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hiy h ALA 316 CO -0.36 0.61 0.00 0.45 0.00 0.00 0.00 179.25 179.95 3hiy n SER 317 N -4.09 0.11 0.00 0.00 2.88 -0.58 -0.97 113.62 110.97 3hiy n SER 317 Ca -0.01 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 3hiy n SER 317 Cb 0.45 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.17 0.00 -0.08 -1.46 -0.06 0.70 -1.97 117.38 114.68 3hiy n GLN 319 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 3hiy n GLN 319 Cb 0.03 0.00 0.24 0.00 -4.06 0.00 0.00 30.24 26.45 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 0.66 -0.68 1.69 -0.00 -1.32 0.24 115.58 116.17 3hiy h ASN 320 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.13 3hiy h ASN 320 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.12 3hiy h ASN 320 CO 0.00 0.67 0.19 -0.33 -0.00 0.00 0.00 177.43 177.96 3hiy h GLU 321 N 0.69 1.07 -0.67 6.67 4.39 -1.68 -1.78 114.58 123.27 3hiy h GLU 321 Ca 0.15 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3hiy h GLU 321 Cb 0.28 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3hiy h GLU 321 CO -0.00 0.94 0.15 1.15 -1.16 0.00 0.00 179.01 180.09 3hiy h THR 322 N 1.00 1.26 0.00 1.13 2.02 -1.76 -2.74 112.91 113.82 3hiy h THR 322 Ca 0.22 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3hiy h THR 322 Cb 0.33 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hiy h THR 322 CO -0.00 0.36 -0.07 0.74 0.37 0.00 0.00 175.52 176.92 3hiy h THR 323 N 1.01 0.18 0.00 3.16 2.02 -0.74 -1.88 112.91 116.65 3hiy h THR 323 Ca 0.21 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3hiy h THR 323 Cb 0.37 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3hiy h THR 323 CO 0.00 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.96 3hiy n GLN 324 N -3.19 0.59 -2.69 6.66 6.02 -0.69 -4.40 117.38 119.68 3hiy n GLN 324 Ca 0.01 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 3hiy n GLN 324 Cb 0.36 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.18 1.43 -2.47 -1.09 1.74 -0.71 -1.10 116.66 113.29 3hiy n ARG 325 Ca 0.16 -3.38 -0.38 0.00 -0.77 0.00 0.00 57.85 53.48 3hiy n ARG 325 Cb 0.18 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.34 4.31 -0.01 5.56 0.04 -1.24 -4.89 135.00 135.44 3hiy s PRO 326 Ca 0.28 1.68 0.19 0.00 0.04 0.00 0.00 61.00 63.19 3hiy s PRO 326 Cb 0.42 -2.80 -0.23 0.00 0.04 0.00 0.00 34.50 31.92 3hiy s PRO 326 CO 0.01 -0.05 0.70 -1.13 0.04 0.00 0.00 177.00 176.57 3hiy n SER 327 N 0.41 0.80 -2.39 6.66 3.41 -1.26 -4.47 113.62 116.78 3hiy n SER 327 Ca 0.03 -0.69 -0.33 0.00 -0.26 0.00 0.00 58.87 57.62 3hiy n SER 327 Cb 0.47 1.24 0.05 0.00 -0.26 0.00 0.00 64.21 65.71 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 -1.64 6.68 -4.39 4.04 6.94 -1.26 -4.85 115.26 120.78 3hiy n ASN 328 Ca 0.02 -3.78 -0.21 0.00 -0.02 0.00 0.00 54.58 50.58 3hiy n ASN 328 Cb 0.35 -0.79 -0.10 0.00 -2.36 0.00 0.00 39.78 36.88 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 -2.29 2.96 0.28 0.53 1.04 -1.26 -5.04 113.70 109.92 3hiy s SER 329 Ca 0.57 -1.00 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 3hiy s SER 329 Cb 0.46 -0.20 0.53 0.00 0.10 0.00 0.00 66.02 66.91 3hiy s SER 329 CO -0.10 -0.07 1.58 -0.65 0.98 0.00 0.00 173.24 174.98 3hiy h PRO 330 N 2.58 0.02 -6.17 4.02 0.11 -1.91 -3.38 132.00 127.27 3hiy h PRO 330 Ca -0.40 -0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.12 3hiy h PRO 330 Cb 1.23 -0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.08 3hiy h PRO 330 CO 0.59 0.01 -0.85 0.71 -0.21 0.00 0.00 178.00 178.26 3hiy s TYR 331 N -6.16 1.89 -0.37 0.65 2.02 -1.26 -4.88 117.35 109.25 3hiy s TYR 331 Ca -0.14 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3hiy s TYR 331 Cb 0.26 -1.13 0.11 0.00 -0.40 0.00 0.00 41.96 40.80 3hiy s TYR 331 CO 0.77 0.09 0.10 0.08 -1.57 0.00 0.00 175.55 175.03 3hiy s VAL 332 N -0.79 1.94 -0.32 0.71 1.01 -1.26 -4.26 120.40 117.43 3hiy s VAL 332 Ca 0.08 -2.28 -0.05 0.00 0.00 0.00 0.00 61.98 59.73 3hiy s VAL 332 Cb -0.09 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3hiy s VAL 332 CO 0.02 -0.67 0.06 -0.69 0.00 0.00 0.00 175.10 173.82 3hiy s VAL 333 N 0.86 3.56 -0.24 2.92 1.01 -1.26 0.59 120.40 127.84 3hiy s VAL 333 Ca 0.12 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 3hiy s VAL 333 Cb -0.20 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3hiy s VAL 333 CO -0.10 -0.09 0.90 -0.70 0.00 0.00 0.00 175.10 175.10 3hiy s GLU 334 N 1.38 4.21 -0.00 2.72 2.12 0.12 -1.15 118.70 128.09 3hiy s GLU 334 Ca -0.02 1.08 -0.30 0.00 0.36 0.00 0.00 54.97 56.09 3hiy s GLU 334 Cb -0.19 -3.64 -0.06 0.00 0.26 0.00 0.00 34.13 30.50 3hiy s GLU 334 CO 0.01 -0.56 1.52 0.34 -0.54 0.00 0.00 175.26 176.04 3hiy s ASP 335 N 1.29 6.75 0.03 -1.70 -1.08 0.14 -4.62 116.67 117.48 3hiy s ASP 335 Ca 0.38 2.22 0.19 0.00 -0.52 0.00 0.00 52.55 54.82 3hiy s ASP 335 Cb -0.15 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.55 3hiy s ASP 335 CO 0.07 -0.81 1.60 2.22 0.52 0.00 0.00 175.17 178.77 3hiy n PHE 336 N 5.89 0.11 0.92 -5.34 -1.74 -1.26 -1.21 117.46 114.83 3hiy n PHE 336 Ca 0.15 0.04 0.10 0.00 -0.56 0.00 0.00 57.45 57.18 3hiy n PHE 336 Cb 0.43 -0.57 0.00 0.00 1.52 0.00 0.00 39.48 40.86 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 -1.60 0.00 -1.89 1.97 0.24 -1.26 -0.67 118.33 115.11 3hiy n VAL 337 Ca 0.04 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3hiy n VAL 337 Cb 0.22 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 0.03 0.00 -0.52 -1.34 0.23 -1.19 -4.69 115.26 107.78 3hiy n ASN 338 Ca 0.09 -0.95 -0.05 0.00 -0.53 0.00 0.00 54.58 53.14 3hiy n ASN 338 Cb 0.44 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.12 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 -0.10 -1.69 -2.53 4.01 -0.35 -4.94 117.16 111.56 3hiy n TYR 339 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3hiy n TYR 339 Cb 0.39 -2.01 -0.01 0.00 -0.31 0.00 0.00 39.34 37.40 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 -1.63 1.94 -2.99 -0.72 0.31 -1.25 -4.66 118.33 109.33 3hiy n VAL 340 Ca -0.05 -0.49 -0.44 0.00 -0.01 0.00 0.00 64.34 63.35 3hiy n VAL 340 Cb 0.40 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.30 6.95 0.10 4.52 3.84 -0.26 0.28 114.94 130.07 3hiy s ASN 341 Ca 0.56 -2.75 0.07 0.00 0.21 0.00 0.00 52.86 50.95 3hiy s ASN 341 Cb -0.59 -2.38 0.36 0.00 -0.55 0.00 0.00 41.25 38.10 3hiy s ASN 341 CO 0.61 -0.80 1.21 0.00 -2.79 0.00 0.00 177.10 175.33 3hiy n GLY 343 N -1.44 2.82 0.22 0.00 0.00 -1.24 -4.57 105.19 100.99 3hiy n GLY 343 Ca -0.00 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 3.51 0.00 0.00 1.61 0.11 -1.17 -3.05 114.38 115.39 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 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3hiy h ARG 344 CO 0.13 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.20 3hiy h ARG 345 N 0.00 0.00 -6.32 0.08 3.08 -1.81 -3.44 114.38 105.97 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 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3hiy h ARG 345 CO 0.00 0.00 1.13 0.08 -1.07 0.00 0.00 179.97 180.11 3hiy s VAL 346 N -3.17 3.73 0.53 2.04 1.01 -1.15 -4.88 120.40 118.50 3hiy s VAL 346 Ca 0.09 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 3hiy s VAL 346 Cb 0.09 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3hiy s VAL 346 CO 0.62 -0.40 1.03 -1.10 0.00 0.00 0.00 175.10 175.26 3hiy s GLN 347 N 4.85 3.66 0.40 2.72 -1.52 -1.26 -4.48 119.66 124.02 3hiy s GLN 347 Ca 0.70 1.24 0.19 0.00 -1.95 0.00 0.00 55.36 55.55 3hiy s GLN 347 Cb -0.22 -2.08 1.14 0.00 -0.22 0.00 0.00 33.01 31.63 3hiy s GLN 347 CO 0.30 -0.54 1.73 0.00 -0.25 0.00 0.00 175.29 176.54 3hiy h ALA 348 N 1.08 2.27 0.00 6.09 0.00 -1.97 0.14 119.26 126.87 3hiy h ALA 348 Ca -0.48 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3hiy h ALA 348 Cb 1.21 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 -0.22 0.66 0.00 0.00 0.00 179.25 179.54 3hiy h SER 349 N 0.35 0.00 1.75 0.00 4.64 -2.01 -2.78 113.55 115.50 3hiy h SER 349 Ca 0.65 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.93 3hiy h SER 349 Cb 1.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 3hiy h SER 349 CO -0.35 0.22 -0.19 0.03 -0.87 0.00 0.00 176.83 175.67 3hiy h ARG 350 N 0.00 0.00 -0.41 4.77 2.47 -1.08 -3.32 114.38 116.80 3hiy h ARG 350 Ca -0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 3hiy h ARG 350 Cb 0.57 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 3hiy h ARG 350 CO 0.03 0.19 0.65 0.28 0.56 0.00 0.00 179.97 181.68 3hiy h VAL 351 N 0.00 0.16 0.18 2.04 2.07 -1.43 0.08 116.25 119.35 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 1.12 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hiy h VAL 351 CO 0.03 0.00 -0.09 -0.09 0.02 0.00 0.00 177.57 177.44 3hiy h ARG 352 N 0.00 -0.24 0.00 1.57 2.43 -1.77 -3.11 114.38 113.27 3hiy h ARG 352 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3hiy h ARG 352 Cb 1.49 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 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 -4.94 0.00 -0.18 2.20 -0.00 0.01 -1.44 115.22 110.87 3hiy n HIS 353 Ca -0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.12 3hiy n HIS 353 Cb 0.25 -0.12 0.04 0.00 -0.12 0.00 0.00 29.99 30.04 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 -1.07 -0.23 0.90 3.57 5.41 -1.20 -0.30 119.36 126.43 3hiy n ILE 354 Ca 0.00 1.13 0.13 0.00 1.00 0.00 0.00 62.75 65.00 3hiy n ILE 354 Cb 0.00 -1.52 0.56 0.00 -0.71 0.00 0.00 39.64 37.97 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 -4.75 0.01 -0.10 0.38 -0.06 -0.96 -1.37 117.38 110.54 3hiy n GLN 355 Ca 0.06 0.05 -0.16 0.00 -2.00 0.00 0.00 57.00 54.96 3hiy n GLN 355 Cb 0.22 -1.51 -0.07 0.00 -4.06 0.00 0.00 30.24 24.81 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 -1.53 0.53 0.00 3.69 7.27 0.59 -3.77 117.38 124.15 3hiy n GLN 356 Ca 0.06 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.62 3hiy n GLN 356 Cb 0.31 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.29 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 -0.01 3.69 1.02 -0.40 0.84 120.64 121.30 3hiy n GLU 357 Ca -0.25 0.44 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 3hiy n GLU 357 Cb 0.55 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.36 -0.22 -0.32 0.04 -1.40 -2.32 116.94 113.08 3hiy h PHE 358 Ca 0.00 -0.26 0.06 0.00 2.80 0.00 0.00 57.97 60.57 3hiy h PHE 358 Cb 0.06 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3hiy h PHE 358 CO 0.00 1.55 0.23 -0.91 -0.60 0.00 0.00 178.31 178.58 3hiy h ASN 359 N -0.39 0.00 0.26 2.17 -0.26 0.35 -2.17 115.58 115.53 3hiy h ASN 359 Ca -0.31 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.09 3hiy h ASN 359 Cb 1.69 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.92 3hiy h ASN 359 CO 0.02 0.00 -1.90 -1.14 -1.06 0.00 0.00 177.43 173.35 3hiy n ARG 360 N -3.87 0.71 -0.29 0.81 0.63 0.61 -3.13 116.66 112.13 3hiy n ARG 360 Ca 0.03 0.27 -0.05 0.00 -0.92 0.00 0.00 57.85 57.18 3hiy n ARG 360 Cb 0.36 -1.74 0.07 0.00 0.45 0.00 0.00 32.46 31.60 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 0.05 0.98 -0.25 6.15 5.85 -1.05 -3.04 115.31 124.00 3hiy h LEU 361 Ca -0.38 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hiy h LEU 361 Cb 2.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.81 3hiy h LEU 361 CO 0.08 0.79 0.00 0.08 -0.34 0.00 0.00 178.44 179.05 3hiy h ARG 362 N 1.09 0.00 -0.98 1.25 -0.00 -1.53 -2.12 114.38 112.10 3hiy h ARG 362 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.25 3hiy h ARG 362 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.99 3hiy h ARG 362 CO -0.05 0.00 0.01 -1.91 -0.00 0.00 0.00 179.97 178.02 3hiy n GLU 363 N -2.47 1.22 0.00 0.08 2.13 -1.15 -2.09 120.64 118.36 3hiy n GLU 363 Ca 0.04 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.66 3hiy n GLU 363 Cb 0.40 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.65 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 0.11 0.00 0.00 4.31 4.77 -0.80 -0.47 117.00 124.92 3hiy n LEU 365 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3hiy n LEU 365 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hiy n LEU 365 CO 0.03 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.71 3hiy n ILE 366 N 0.00 0.00 0.24 -0.08 5.41 -0.89 -4.47 119.36 119.57 3hiy n ILE 366 Ca 0.00 0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 3hiy n ILE 366 Cb 0.00 -1.08 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 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 -0.80 -0.29 4.38 3.32 -1.61 -2.99 116.42 118.42 3hiy h ASP 367 Ca 0.00 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 3hiy h ASP 367 Cb 0.00 0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 3hiy h ASP 367 CO 0.00 -0.45 0.22 0.29 -1.72 0.00 0.00 179.24 177.58 3hiy n LYS 368 N -4.26 1.41 -0.25 3.56 4.76 0.38 -4.55 118.16 119.22 3hiy n LYS 368 Ca -0.09 -0.90 0.01 0.00 -2.87 0.00 0.00 58.31 54.47 3hiy n LYS 368 Cb 0.30 -1.35 0.14 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.70 0.61 0.00 1.97 4.81 -1.74 -0.43 114.58 120.49 3hiy h GLU 369 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3hiy h GLU 369 Cb 1.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3hiy h GLU 369 CO 0.38 0.40 0.00 0.43 -0.73 0.00 0.00 179.01 179.49 3hiy n SER 370 N -4.84 0.00 -0.92 1.04 7.64 -1.26 -2.50 113.62 112.78 3hiy n SER 370 Ca 0.11 0.49 0.08 0.00 1.01 0.00 0.00 58.87 60.55 3hiy n SER 370 Cb 0.26 -0.49 0.25 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.49 3.06 -2.47 1.43 2.13 -0.17 -4.51 120.64 118.61 3hiy n GLU 371 Ca 0.03 -2.70 -0.42 0.00 0.66 0.00 0.00 57.16 54.73 3hiy n GLU 371 Cb 0.12 -1.75 -0.03 0.00 0.27 0.00 0.00 31.44 30.05 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 -2.40 4.37 -0.08 4.31 1.43 -1.04 -5.04 118.68 120.22 3hiy s LEU 372 Ca 0.39 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 3hiy s LEU 372 Cb 0.30 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.96 3hiy s LEU 372 CO 0.11 -0.43 -0.08 -0.54 0.23 0.00 0.00 176.35 175.64 3hiy s LYS 373 N 1.03 1.41 0.15 1.70 1.02 -1.26 -4.63 119.74 119.15 3hiy s LYS 373 Ca 0.57 -0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.13 3hiy s LYS 373 Cb -0.28 -1.37 0.05 0.00 -0.52 0.00 0.00 37.83 35.71 3hiy s LYS 373 CO 0.29 -0.14 1.70 0.35 -0.92 0.00 0.00 175.35 176.62 3hiy h PHE 374 N 7.64 -0.09 0.00 3.18 3.57 -1.90 -2.36 116.94 126.97 3hiy h PHE 374 Ca -0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.22 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 0.00 178.31 176.22 3hiy n ASP 375 N -5.21 0.63 0.00 0.41 8.00 -1.26 -2.69 116.55 116.43 3hiy n ASP 375 Ca 0.00 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3hiy n ASP 375 Cb 0.17 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.08 2.24 0.10 -1.24 4.07 -0.90 -4.69 120.64 120.15 3hiy n GLU 376 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 3hiy n GLU 376 Cb 0.16 -0.93 -0.15 0.00 -0.06 0.00 0.00 31.44 30.45 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 1.19 -2.24 6.31 2.07 -1.45 -3.39 116.25 118.73 3hiy h VAL 377 Ca 0.00 -2.72 -0.76 0.00 0.82 0.00 0.00 66.70 64.04 3hiy h VAL 377 Cb 0.47 2.89 -0.31 0.00 -1.52 0.00 0.00 31.29 32.83 3hiy h VAL 377 CO 0.00 0.84 0.65 0.49 0.02 0.00 0.00 177.57 179.56 3hiy n PHE 378 N -3.60 3.07 -3.82 1.57 3.01 -1.10 -4.92 117.46 111.68 3hiy n PHE 378 Ca -0.18 -2.88 -0.12 0.00 1.01 0.00 0.00 57.45 55.29 3hiy n PHE 378 Cb 1.07 -1.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.42 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 -4.13 0.59 0.07 -1.08 1.70 -1.26 -4.88 118.95 109.96 3hiy s ARG 379 Ca 0.42 -0.36 -0.11 0.00 -0.47 0.00 0.00 55.73 55.21 3hiy s ARG 379 Cb 0.22 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.79 3hiy s ARG 379 CO -0.15 -0.16 0.22 0.39 -1.08 0.00 0.00 175.30 174.53 3hiy n GLU 380 N 1.25 0.00 -3.24 3.89 -0.58 -1.18 -4.63 120.64 116.15 3hiy n GLU 380 Ca -0.22 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.28 3hiy n GLU 380 Cb 0.56 -0.40 -0.08 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.05 -4.55 1.62 2.88 -1.20 -4.98 113.62 108.17 3hiy n SER 381 Ca 0.07 -2.62 -0.32 0.00 -1.33 0.00 0.00 58.87 54.66 3hiy n SER 381 Cb 0.09 -0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 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 -0.89 4.76 0.00 -3.46 3.84 -1.26 -4.58 116.67 115.08 3hiy s ASP 382 Ca 0.35 0.40 0.00 0.00 -0.00 0.00 0.00 52.55 53.30 3hiy s ASP 382 Cb 0.14 -2.53 0.00 0.00 -1.38 0.00 0.00 42.92 39.15 3hiy s ASP 382 CO -0.13 -2.82 0.00 0.41 -0.00 0.00 0.00 175.17 172.63 3hiy n THR 383 N 7.80 0.00 0.08 2.11 -1.04 -1.26 -5.24 114.28 116.73 3hiy n THR 383 Ca 0.33 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.35 3hiy n THR 383 Cb 0.51 -0.02 0.01 0.00 -1.82 0.00 0.00 70.33 69.01 3hiy n THR 383 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98