#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhf s GLN 92 N 0.00 0.79 0.00 -0.52 -2.07 -1.26 -4.03 119.66 112.57 3hhf s GLN 92 Ca 0.00 0.42 0.00 0.00 -1.82 0.00 0.00 55.36 53.96 3hhf s GLN 92 Cb 0.00 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 3hhf s GLN 92 CO 0.00 -0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 3hhf n GLY 93 N 1.87 -1.25 3.77 2.60 0.00 -0.91 -4.93 105.19 106.34 3hhf n GLY 93 Ca -0.17 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 3hhf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhf s VAL 94 N -0.86 4.44 -0.12 1.61 1.01 -1.26 -1.00 120.40 124.22 3hhf s VAL 94 Ca 0.00 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.71 3hhf s VAL 94 Cb 0.00 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.25 3hhf s VAL 94 CO 0.00 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.24 3hhf s LEU 95 N -0.87 1.51 -0.24 3.92 2.96 -1.04 -4.91 118.68 120.01 3hhf s LEU 95 Ca 0.37 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3hhf s LEU 95 Cb -0.23 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 3hhf s LEU 95 CO 0.26 -0.05 0.13 -0.94 -1.32 0.00 0.00 176.35 174.43 3hhf s SER 96 N 1.34 5.80 -0.18 3.68 1.04 -1.26 -0.51 113.70 123.62 3hhf s SER 96 Ca -0.00 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3hhf s SER 96 Cb -0.14 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 63.96 3hhf s SER 96 CO -0.06 0.05 -0.19 -0.69 0.98 0.00 0.00 173.24 173.33 3hhf s VAL 97 N 1.14 1.99 -0.11 5.02 1.01 0.85 -1.80 120.40 128.49 3hhf s VAL 97 Ca 0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3hhf s VAL 97 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3hhf s VAL 97 CO 0.05 0.53 0.02 -0.62 0.00 0.00 0.00 175.10 175.07 3hhf s ASP 98 N 1.32 5.33 0.19 3.32 2.15 -0.09 -1.01 116.67 127.87 3hhf s ASP 98 Ca 0.05 0.13 -0.23 0.00 0.43 0.00 0.00 52.55 52.92 3hhf s ASP 98 Cb -0.13 -1.63 0.05 0.00 -0.30 0.00 0.00 42.92 40.91 3hhf s ASP 98 CO -0.13 0.32 0.75 -0.94 -0.17 0.00 0.00 175.17 175.01 3hhf s SER 99 N -0.55 -0.34 0.00 -0.34 1.04 -0.86 -1.13 113.70 111.52 3hhf s SER 99 Ca 0.10 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3hhf s SER 99 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3hhf s SER 99 CO 0.02 -1.08 0.00 0.00 0.98 0.00 0.00 173.24 173.16 3hhf n ALA 100 N -0.42 0.00 -0.81 5.32 0.00 -1.26 -3.58 120.51 119.76 3hhf n ALA 100 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hhf n ALA 100 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3hhf n ALA 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hhf n PRO 102 N 0.00 -0.95 0.00 0.00 -0.04 -1.26 -4.75 135.00 128.00 3hhf n PRO 102 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hhf n PRO 102 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3hhf n PRO 102 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hhf n VAL 104 N -0.17 0.00 0.10 0.52 0.31 -1.26 -1.74 118.33 116.09 3hhf n VAL 104 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3hhf n VAL 104 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 3hhf n VAL 104 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hhf h LEU 105 N 0.00 0.46 0.00 7.52 3.38 -1.97 0.88 115.31 125.58 3hhf h LEU 105 Ca 0.00 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3hhf h LEU 105 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hhf h LEU 105 CO 0.00 1.40 -1.85 1.41 0.09 0.00 0.00 178.44 179.48 3hhf n HIS 106 N -3.54 0.18 0.02 1.13 8.25 -0.71 -4.47 115.22 116.07 3hhf n HIS 106 Ca -0.10 0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3hhf n HIS 106 Cb 1.03 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 3hhf n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hhf n LEU 107 N -2.38 0.61 0.06 2.41 4.32 -1.26 -4.76 117.00 116.01 3hhf n LEU 107 Ca -0.05 0.08 -0.12 0.00 -0.02 0.00 0.00 56.01 55.90 3hhf n LEU 107 Cb 0.61 -0.20 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 3hhf n LEU 107 CO 0.45 -0.34 0.46 -0.07 -1.22 0.00 0.00 177.39 176.67 3hhf h LEU 108 N -0.05 -0.18 -0.40 2.23 3.38 -1.85 -3.19 115.31 115.25 3hhf h LEU 108 Ca -0.02 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3hhf h LEU 108 Cb 0.55 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3hhf h LEU 108 CO -0.01 0.35 0.01 0.00 0.09 0.00 0.00 178.44 178.88 3hhf h ALA 109 N -0.14 0.38 -0.09 1.53 0.00 -1.06 -0.52 119.26 119.36 3hhf h ALA 109 Ca -0.02 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hhf h ALA 109 Cb 0.53 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hhf h ALA 109 CO 0.03 -0.38 0.08 -1.35 0.00 0.00 0.00 179.25 177.63 3hhf h PRO 110 N 0.12 0.00 0.00 0.00 0.11 -1.78 -2.39 132.00 128.06 3hhf h PRO 110 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3hhf h PRO 110 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3hhf h PRO 110 CO -0.32 0.00 -0.66 1.28 -0.21 0.00 0.00 178.00 178.09 3hhf n LEU 111 N -4.22 0.60 0.21 2.35 4.77 -0.44 -4.40 117.00 115.88 3hhf n LEU 111 Ca -0.01 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 3hhf n LEU 111 Cb 0.19 -0.19 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 3hhf n LEU 111 CO 0.32 0.04 0.86 0.00 -1.33 0.00 0.00 177.39 177.28 3hhf h ALA 112 N 2.72 1.62 -0.05 -1.18 0.00 -0.60 -2.06 119.26 119.71 3hhf h ALA 112 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3hhf h ALA 112 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hhf h ALA 112 CO 0.00 0.28 -0.81 0.00 0.00 0.00 0.00 179.25 178.72 3hhf h ALA 113 N 1.77 0.50 -0.19 0.00 0.00 -1.77 -1.51 119.26 118.06 3hhf h ALA 113 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 3hhf h ALA 113 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hhf h ALA 113 CO 0.03 0.78 -0.17 -0.22 0.00 0.00 0.00 179.25 179.67 3hhf h LYS 114 N 0.26 0.46 -0.84 0.00 3.64 -1.71 -2.05 116.57 116.34 3hhf h LYS 114 Ca -0.05 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3hhf h LYS 114 Cb 1.41 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.18 3hhf h LYS 114 CO 0.14 0.80 0.52 0.35 -2.27 0.00 0.00 179.45 178.99 3hhf h PHE 115 N 0.13 0.96 -0.78 1.91 3.57 -1.44 -2.43 116.94 118.87 3hhf h PHE 115 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3hhf h PHE 115 Cb 0.71 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3hhf h PHE 115 CO 0.08 0.50 0.51 -0.97 -2.23 0.00 0.00 178.31 176.20 3hhf h ASN 116 N 0.96 0.87 -0.23 0.41 -1.24 -1.12 0.24 115.58 115.46 3hhf h ASN 116 Ca 0.36 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.28 3hhf h ASN 116 Cb 0.14 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3hhf h ASN 116 CO -0.16 0.62 -0.08 -0.33 -1.29 0.00 0.00 177.43 176.18 3hhf h GLU 117 N 1.02 0.61 0.17 6.67 5.08 -1.09 -1.55 114.58 125.48 3hhf h GLU 117 Ca 0.30 -0.17 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 3hhf h GLU 117 Cb -0.07 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.14 3hhf h GLU 117 CO -0.08 0.69 -1.08 -0.09 -1.00 0.00 0.00 179.01 177.45 3hhf h ARG 118 N 0.56 0.43 -2.47 2.33 2.43 -1.01 -3.40 114.38 113.26 3hhf h ARG 118 Ca 0.11 -0.69 -0.60 0.00 -0.81 0.00 0.00 59.98 57.99 3hhf h ARG 118 Cb 0.48 0.25 -0.40 0.00 -0.42 0.00 0.00 29.97 29.88 3hhf h ARG 118 CO 0.03 1.32 -0.78 0.66 -1.51 0.00 0.00 179.97 179.69 3hhf n TYR 119 N -3.95 1.67 0.32 2.20 4.02 0.81 -4.97 117.16 117.26 3hhf n TYR 119 Ca -0.15 -3.89 0.09 0.00 -0.01 0.00 0.00 57.90 53.94 3hhf n TYR 119 Cb 0.93 -0.35 0.41 0.00 -0.02 0.00 0.00 39.34 40.31 3hhf n TYR 119 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hhf n PRO 120 N 1.77 0.11 -0.05 -0.72 -0.04 -0.59 -2.80 135.00 132.69 3hhf n PRO 120 Ca 0.25 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3hhf n PRO 120 Cb 0.43 -1.76 0.25 0.00 -0.04 0.00 0.00 33.50 32.38 3hhf n PRO 120 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hhf n HIS 121 N -1.98 0.12 -3.45 0.54 8.25 -1.26 -4.83 115.22 112.62 3hhf n HIS 121 Ca 0.01 -0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.03 3hhf n HIS 121 Cb 0.14 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 3hhf n HIS 121 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hhf s ILE 122 N -1.88 5.22 -0.75 1.59 1.01 -1.12 -2.13 121.20 123.15 3hhf s ILE 122 Ca 0.33 0.51 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 3hhf s ILE 122 Cb 0.21 -3.66 0.19 0.00 0.01 0.00 0.00 42.46 39.20 3hhf s ILE 122 CO 0.31 0.22 0.72 -0.13 0.00 0.00 0.00 174.94 176.06 3hhf s ARG 123 N 1.67 3.42 0.37 2.79 0.52 -0.17 -4.96 118.95 122.60 3hhf s ARG 123 Ca 0.14 -2.17 -0.28 0.00 -0.52 0.00 0.00 55.73 52.90 3hhf s ARG 123 Cb -0.15 -4.42 -0.10 0.00 0.52 0.00 0.00 34.95 30.80 3hhf s ARG 123 CO 0.09 -1.34 1.40 -0.51 0.02 0.00 0.00 175.30 174.96 3hhf s LEU 124 N 0.80 4.32 -0.23 2.53 1.43 -1.26 -2.51 118.68 123.75 3hhf s LEU 124 Ca 0.15 2.87 0.01 0.00 -1.03 0.00 0.00 54.13 56.13 3hhf s LEU 124 Cb -0.16 -3.72 0.06 0.00 0.03 0.00 0.00 46.19 42.40 3hhf s LEU 124 CO -0.05 -0.80 -0.06 -0.55 0.23 0.00 0.00 176.35 175.12 3hhf s SER 125 N -0.37 3.86 -0.33 2.29 0.15 0.33 -4.89 113.70 114.76 3hhf s SER 125 Ca 0.53 -1.18 -0.09 0.00 0.70 0.00 0.00 55.95 55.91 3hhf s SER 125 Cb -0.43 -1.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.69 3hhf s SER 125 CO 0.57 -0.23 0.15 -0.76 1.20 0.00 0.00 173.24 174.17 3hhf s LEU 126 N 1.38 4.22 0.18 3.45 1.43 -1.26 -0.11 118.68 127.97 3hhf s LEU 126 Ca -0.06 -0.74 0.10 0.00 -1.03 0.00 0.00 54.13 52.40 3hhf s LEU 126 Cb -0.19 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3hhf s LEU 126 CO -0.06 -0.26 -0.18 0.68 0.23 0.00 0.00 176.35 176.77 3hhf s VAL 127 N 1.55 2.75 -0.07 -1.59 -7.23 -0.18 -4.98 120.40 110.65 3hhf s VAL 127 Ca 0.03 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3hhf s VAL 127 Cb -0.18 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3hhf s VAL 127 CO 0.05 -0.08 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.04 3hhf s SER 128 N -2.64 2.32 0.15 4.85 0.15 -1.26 -2.03 113.70 115.24 3hhf s SER 128 Ca 0.22 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.48 3hhf s SER 128 Cb -0.09 -0.93 -0.00 0.00 -1.71 0.00 0.00 66.02 63.29 3hhf s SER 128 CO 0.12 0.11 0.17 -1.54 1.20 0.00 0.00 173.24 173.30 3hhf n SER 129 N 3.49 -0.45 -4.76 5.45 3.41 -1.23 -4.98 113.62 114.56 3hhf n SER 129 Ca -0.20 -1.88 -0.38 0.00 -0.26 0.00 0.00 58.87 56.14 3hhf n SER 129 Cb 0.52 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 65.33 3hhf n SER 129 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hhf s GLU 130 N -2.47 4.24 2.38 4.33 2.12 -1.26 -4.49 118.70 123.55 3hhf s GLU 130 Ca 0.15 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.98 3hhf s GLU 130 Cb 0.00 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3hhf s GLU 130 CO 0.11 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 3hhf n GLY 131 N 2.72 0.95 1.45 -1.50 0.00 -1.26 -3.98 105.19 103.57 3hhf n GLY 131 Ca -0.09 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.40 3hhf n GLY 131 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hhf n TYR 132 N 0.00 1.52 -0.09 1.61 4.01 -1.26 -4.66 117.16 118.29 3hhf n TYR 132 Ca 0.00 -0.75 -0.13 0.00 -0.16 0.00 0.00 57.90 56.86 3hhf n TYR 132 Cb 0.00 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 38.61 3hhf n TYR 132 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3hhf h ILE 133 N 3.19 1.31 -0.16 -0.72 2.04 -2.00 0.03 117.51 121.20 3hhf h ILE 133 Ca 0.00 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 3hhf h ILE 133 Cb 1.65 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3hhf h ILE 133 CO 0.33 0.46 0.10 0.78 0.00 0.00 0.00 178.15 179.82 3hhf h ASN 134 N 0.39 0.20 0.38 1.72 2.35 -1.85 -0.99 115.58 117.78 3hhf h ASN 134 Ca 0.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3hhf h ASN 134 Cb 0.85 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3hhf h ASN 134 CO 0.07 0.19 -0.18 0.25 -1.65 0.00 0.00 177.43 176.11 3hhf h LEU 135 N 0.18 -0.43 -0.38 1.61 5.85 -1.82 0.53 115.31 120.85 3hhf h LEU 135 Ca 0.06 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3hhf h LEU 135 Cb 0.03 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3hhf h LEU 135 CO -0.01 -0.28 0.02 0.40 -0.34 0.00 0.00 178.44 178.22 3hhf h ILE 136 N -0.54 0.73 -0.10 4.05 2.04 -0.97 -0.20 117.51 122.52 3hhf h ILE 136 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3hhf h ILE 136 Cb 0.41 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3hhf h ILE 136 CO 0.09 0.02 0.00 -0.62 0.00 0.00 0.00 178.15 177.64 3hhf n GLU 137 N -5.17 1.35 -2.06 2.37 1.02 -0.38 -4.89 120.64 112.88 3hhf n GLU 137 Ca 0.02 -0.41 -0.18 0.00 -0.02 0.00 0.00 57.16 56.57 3hhf n GLU 137 Cb 0.19 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3hhf n GLU 137 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hhf n ARG 138 N -0.10 -1.38 0.18 3.49 5.12 -0.09 -4.88 116.66 119.00 3hhf n ARG 138 Ca 0.04 0.97 0.07 0.00 -1.93 0.00 0.00 57.85 57.00 3hhf n ARG 138 Cb 0.19 -5.40 0.16 0.00 -1.16 0.00 0.00 32.46 26.25 3hhf n ARG 138 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3hhf h LYS 139 N 0.00 0.00 -5.37 5.56 1.57 -0.19 -3.46 116.57 114.68 3hhf h LYS 139 Ca -0.41 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 57.94 3hhf h LYS 139 Cb 1.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 3hhf h LYS 139 CO 0.52 0.30 -0.69 0.14 -0.57 0.00 0.00 179.45 179.15 3hhf s VAL 140 N -3.17 1.47 0.00 0.50 -7.23 -1.19 -4.99 120.40 105.79 3hhf s VAL 140 Ca 0.04 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3hhf s VAL 140 Cb 0.07 -2.21 -0.26 0.00 0.56 0.00 0.00 36.38 34.54 3hhf s VAL 140 CO 0.70 -0.46 0.85 0.44 -0.31 0.00 0.00 175.10 176.31 3hhf h ASP 141 N 2.48 0.30 -4.34 4.85 3.32 -1.68 -3.43 116.42 117.91 3hhf h ASP 141 Ca -0.38 -0.43 -0.15 0.00 0.02 0.00 0.00 57.03 56.09 3hhf h ASP 141 Cb 1.22 -0.10 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 3hhf h ASP 141 CO 0.64 1.36 -0.39 -0.51 -1.72 0.00 0.00 179.24 178.63 3hhf s ILE 142 N -2.62 0.03 -0.10 0.35 2.07 -0.97 -4.57 121.20 115.39 3hhf s ILE 142 Ca -0.08 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 58.95 3hhf s ILE 142 Cb 0.07 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 42.21 3hhf s ILE 142 CO 0.84 -0.14 -0.24 0.00 -1.91 0.00 0.00 174.94 173.50 3hhf s ALA 143 N -0.52 2.13 -0.48 1.50 0.00 0.04 -0.92 121.76 123.52 3hhf s ALA 143 Ca -0.06 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 3hhf s ALA 143 Cb -0.04 -0.79 0.09 0.00 0.00 0.00 0.00 23.12 22.38 3hhf s ALA 143 CO 0.02 0.29 0.40 -0.51 0.00 0.00 0.00 175.76 175.96 3hhf s LEU 144 N 0.31 5.71 0.01 0.00 1.02 -0.28 0.66 118.68 126.10 3hhf s LEU 144 Ca -0.18 -1.49 -0.11 0.00 0.02 0.00 0.00 54.13 52.37 3hhf s LEU 144 Cb -0.18 -2.16 0.01 0.00 0.02 0.00 0.00 46.19 43.89 3hhf s LEU 144 CO 0.08 -0.69 0.24 -0.13 0.02 0.00 0.00 176.35 175.87 3hhf s ARG 145 N 1.59 0.63 0.07 1.70 0.52 -0.72 -4.25 118.95 118.50 3hhf s ARG 145 Ca 0.04 -0.37 0.26 0.00 -0.52 0.00 0.00 55.73 55.14 3hhf s ARG 145 Cb -0.26 0.27 0.69 0.00 0.52 0.00 0.00 34.95 36.18 3hhf s ARG 145 CO 0.05 -0.17 1.58 0.00 0.02 0.00 0.00 175.30 176.77 3hhf n ALA 146 N 1.14 2.83 -1.00 2.13 0.00 -1.26 -2.33 120.51 122.02 3hhf n ALA 146 Ca -0.21 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3hhf n ALA 146 Cb 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3hhf n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhf n GLY 147 N 1.42 -0.61 0.00 0.00 0.00 -1.26 -4.82 105.19 99.91 3hhf n GLY 147 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hhf n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hhf n ASP 150 N 0.00 0.00 -4.56 1.61 9.92 -1.26 -5.08 116.55 117.19 3hhf n ASP 150 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 3hhf n ASP 150 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3hhf n ASP 150 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hhf s ASP 151 N 0.00 5.55 0.74 -2.24 2.15 -1.26 -4.88 116.67 116.73 3hhf s ASP 151 Ca 0.00 -0.53 -0.16 0.00 0.43 0.00 0.00 52.55 52.30 3hhf s ASP 151 Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3hhf s ASP 151 CO 0.00 -2.31 0.72 -1.20 -0.17 0.00 0.00 175.17 172.21 3hhf n SER 152 N 12.15 -0.53 0.00 -0.34 7.64 -1.26 -4.23 113.62 127.05 3hhf n SER 152 Ca 0.29 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3hhf n SER 152 Cb 0.49 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3hhf n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hhf n GLY 153 N 1.38 1.29 3.76 0.23 0.00 -1.26 -5.08 105.19 105.51 3hhf n GLY 153 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3hhf n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhf s LEU 154 N 0.00 4.49 0.14 0.99 1.43 -1.26 -1.16 118.68 123.31 3hhf s LEU 154 Ca 0.00 2.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.65 3hhf s LEU 154 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3hhf s LEU 154 CO 0.00 -0.34 -0.08 -0.13 0.23 0.00 0.00 176.35 176.03 3hhf s ARG 155 N -1.63 2.15 -0.11 1.70 1.81 0.19 -4.87 118.95 118.19 3hhf s ARG 155 Ca 0.47 -1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 53.35 3hhf s ARG 155 Cb -0.36 -2.27 0.03 0.00 -0.45 0.00 0.00 34.95 31.91 3hhf s ARG 155 CO 0.47 0.48 -0.02 0.00 -0.68 0.00 0.00 175.30 175.54 3hhf s ALA 156 N -1.46 0.98 -0.21 2.13 0.00 -1.26 -1.92 121.76 120.02 3hhf s ALA 156 Ca 0.23 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 3hhf s ALA 156 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3hhf s ALA 156 CO 0.15 -0.56 0.02 0.50 0.00 0.00 0.00 175.76 175.88 3hhf s ARG 157 N 1.86 3.67 0.27 0.00 6.06 0.37 -4.93 118.95 126.25 3hhf s ARG 157 Ca 0.04 -0.49 -0.30 0.00 -2.50 0.00 0.00 55.73 52.48 3hhf s ARG 157 Cb -0.13 -3.15 -0.11 0.00 0.06 0.00 0.00 34.95 31.61 3hhf s ARG 157 CO -0.07 -0.01 1.59 -1.58 -2.50 0.00 0.00 175.30 172.74 3hhf s HIS 158 N 1.08 2.81 -0.11 5.12 5.65 -1.26 -0.07 115.29 128.50 3hhf s HIS 158 Ca 0.03 0.75 -0.07 0.00 0.25 0.00 0.00 55.06 56.02 3hhf s HIS 158 Cb -0.14 -4.04 -0.05 0.00 -1.18 0.00 0.00 32.58 27.16 3hhf s HIS 158 CO 0.02 -3.56 -0.18 1.28 -0.65 0.00 0.00 174.74 171.65 3hhf n LEU 159 N 2.46 1.12 -3.66 8.88 4.77 0.32 -4.84 117.00 126.05 3hhf n LEU 159 Ca 0.09 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3hhf n LEU 159 Cb 0.37 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3hhf n LEU 159 CO 0.63 0.08 0.55 0.72 -1.33 0.00 0.00 177.39 178.04 3hhf s PHE 160 N -2.30 -0.29 -0.03 -1.77 -0.71 -1.11 -4.12 117.98 107.64 3hhf s PHE 160 Ca -0.18 -0.02 0.02 0.00 -1.04 0.00 0.00 56.93 55.71 3hhf s PHE 160 Cb 0.06 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.47 3hhf s PHE 160 CO 0.24 -0.93 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.61 3hhf s ASP 161 N -2.81 4.69 0.00 1.98 1.01 -1.26 -0.19 116.67 120.09 3hhf s ASP 161 Ca 0.08 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.29 3hhf s ASP 161 Cb -0.03 -1.15 -0.01 0.00 1.01 0.00 0.00 42.92 42.74 3hhf s ASP 161 CO -0.02 0.33 -0.04 -0.94 0.21 0.00 0.00 175.17 174.70 3hhf s SER 162 N -1.11 0.48 0.25 0.27 1.04 -0.36 -4.91 113.70 109.36 3hhf s SER 162 Ca 0.15 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 3hhf s SER 162 Cb -0.11 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 3hhf s SER 162 CO 0.05 0.02 0.49 -0.13 0.98 0.00 0.00 173.24 174.64 3hhf s ARG 163 N -0.26 3.60 0.41 4.02 0.52 -1.26 -1.27 118.95 124.71 3hhf s ARG 163 Ca -0.00 -0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3hhf s ARG 163 Cb -0.02 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3hhf s ARG 163 CO -0.00 0.29 0.73 -0.06 0.02 0.00 0.00 175.30 176.27 3hhf s PHE 164 N -1.99 3.51 0.00 -0.53 0.40 -1.26 -0.73 117.98 117.39 3hhf s PHE 164 Ca 0.42 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.60 3hhf s PHE 164 Cb -0.11 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 3hhf s PHE 164 CO 0.29 -0.12 -0.04 1.03 0.70 0.00 0.00 175.22 177.08 3hhf s ARG 165 N -4.21 0.33 -0.14 0.44 0.52 -0.34 -4.84 118.95 110.70 3hhf s ARG 165 Ca 0.48 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 3hhf s ARG 165 Cb -0.10 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.05 3hhf s ARG 165 CO 0.37 0.07 0.29 0.08 0.02 0.00 0.00 175.30 176.13 3hhf s VAL 166 N -0.31 5.30 0.06 3.52 1.01 -1.26 -1.76 120.40 126.96 3hhf s VAL 166 Ca -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3hhf s VAL 166 Cb -0.03 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hhf s VAL 166 CO -0.00 0.42 0.07 0.27 0.00 0.00 0.00 175.10 175.86 3hhf s ILE 167 N 0.22 0.17 0.10 2.22 -0.00 -0.53 -0.33 121.20 123.05 3hhf s ILE 167 Ca 0.17 -1.40 -0.08 0.00 -0.00 0.00 0.00 60.65 59.34 3hhf s ILE 167 Cb -0.13 -1.26 -0.01 0.00 -0.00 0.00 0.00 42.46 41.06 3hhf s ILE 167 CO 0.05 -0.77 0.19 0.00 -0.00 0.00 0.00 174.94 174.40 3hhf s ALA 168 N -3.48 -0.09 0.51 2.27 0.00 -0.87 -1.90 121.76 118.20 3hhf s ALA 168 Ca 0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 3hhf s ALA 168 Cb 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 3hhf s ALA 168 CO -0.09 -0.53 1.02 -1.54 0.00 0.00 0.00 175.76 174.63 3hhf s SER 169 N -2.89 6.32 0.39 0.00 1.04 -1.25 0.26 113.70 117.57 3hhf s SER 169 Ca 0.08 1.80 0.13 0.00 0.48 0.00 0.00 55.95 58.45 3hhf s SER 169 Cb 0.05 -2.54 0.96 0.00 0.10 0.00 0.00 66.02 64.59 3hhf s SER 169 CO -0.08 -0.79 1.87 -0.65 0.98 0.00 0.00 173.24 174.56 3hhf h PRO 170 N 1.18 0.51 -0.36 4.02 0.11 -1.87 -2.02 132.00 133.58 3hhf h PRO 170 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3hhf h PRO 170 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hhf h PRO 170 CO 0.59 0.34 -0.10 0.93 -0.21 0.00 0.00 178.00 179.55 3hhf h GLU 171 N 0.53 0.62 -0.16 1.05 3.07 -1.92 -2.09 114.58 115.68 3hhf h GLU 171 Ca 0.45 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 59.04 3hhf h GLU 171 Cb 0.92 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3hhf h GLU 171 CO -0.19 0.71 -0.22 -0.92 -1.40 0.00 0.00 179.01 176.99 3hhf h TYR 172 N 0.57 0.52 -0.19 4.33 5.03 -1.66 -3.08 116.97 122.50 3hhf h TYR 172 Ca 0.10 -0.17 -0.07 0.00 2.58 0.00 0.00 58.73 61.17 3hhf h TYR 172 Cb 0.51 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3hhf h TYR 172 CO 0.02 0.85 -0.18 -0.07 -1.32 0.00 0.00 178.16 177.46 3hhf h LEU 173 N 0.05 0.31 -0.90 2.82 3.38 -1.36 0.67 115.31 120.28 3hhf h LEU 173 Ca 0.02 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3hhf h LEU 173 Cb 0.79 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hhf h LEU 173 CO 0.05 0.51 -0.44 0.00 0.09 0.00 0.00 178.44 178.65 3hhf h ALA 174 N 1.52 1.07 0.00 1.53 0.00 -1.43 0.26 119.26 122.20 3hhf h ALA 174 Ca 0.05 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 3hhf h ALA 174 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hhf h ALA 174 CO 0.03 0.61 -1.29 0.87 0.00 0.00 0.00 179.25 179.47 3hhf h LYS 175 N 0.19 0.00 0.00 0.00 1.57 -1.29 -3.40 116.57 113.64 3hhf h LYS 175 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hhf h LYS 175 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3hhf h LYS 175 CO 0.07 0.48 0.00 0.72 -0.57 0.00 0.00 179.45 180.15 3hhf n HIS 176 N -3.05 0.00 -0.54 -1.35 8.25 0.17 -5.11 115.22 113.59 3hhf n HIS 176 Ca -0.08 -0.12 0.07 0.00 -0.26 0.00 0.00 57.72 57.32 3hhf n HIS 176 Cb 0.90 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 3hhf n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hhf n GLY 177 N -0.12 -2.34 3.60 -1.41 0.00 0.90 -4.92 105.19 100.91 3hhf n GLY 177 Ca 0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3hhf n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhf s THR 178 N -2.66 4.38 0.26 2.61 -4.23 -1.26 -4.59 115.64 110.15 3hhf s THR 178 Ca 0.00 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.02 3hhf s THR 178 Cb 0.00 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 3hhf s THR 178 CO 0.00 0.51 1.29 -2.16 -0.54 0.00 0.00 174.62 173.72 3hhf s PRO 179 N 0.05 4.40 -0.01 3.99 0.04 -1.26 -4.93 135.00 137.28 3hhf s PRO 179 Ca 0.03 2.09 0.19 0.00 0.04 0.00 0.00 61.00 63.36 3hhf s PRO 179 Cb -0.13 -3.15 -0.24 0.00 0.04 0.00 0.00 34.50 31.03 3hhf s PRO 179 CO 0.02 -0.18 0.72 1.04 0.04 0.00 0.00 177.00 178.63 3hhf n GLN 180 N 1.83 0.60 -4.02 4.56 1.13 -1.26 -4.55 117.38 115.67 3hhf n GLN 180 Ca 0.03 -0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 54.95 3hhf n GLN 180 Cb 0.42 -1.43 -0.09 0.00 0.11 0.00 0.00 30.24 29.26 3hhf n GLN 180 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hhf s SER 181 N -3.23 0.23 0.36 1.08 1.04 -1.26 -5.01 113.70 106.90 3hhf s SER 181 Ca 0.03 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.55 3hhf s SER 181 Cb 0.14 0.33 0.68 0.00 0.10 0.00 0.00 66.02 67.27 3hhf s SER 181 CO 0.81 -0.75 1.96 0.74 0.98 0.00 0.00 173.24 176.98 3hhf h THR 182 N 2.80 1.16 0.00 2.02 2.02 -1.93 -2.93 112.91 116.05 3hhf h THR 182 Ca -0.34 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 3hhf h THR 182 Cb 1.20 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3hhf h THR 182 CO 0.57 0.19 -0.25 -0.33 0.37 0.00 0.00 175.52 176.06 3hhf h GLU 183 N 0.62 0.00 0.00 6.66 3.07 -1.96 -2.30 114.58 120.67 3hhf h GLU 183 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3hhf h GLU 183 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3hhf h GLU 183 CO -0.02 0.25 0.00 0.93 -1.40 0.00 0.00 179.01 178.78 3hhf h GLU 184 N 0.00 0.00 -0.12 2.33 5.08 -1.93 -3.00 114.58 116.93 3hhf h GLU 184 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3hhf h GLU 184 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hhf h GLU 184 CO 0.03 0.00 0.15 -0.07 -1.00 0.00 0.00 179.01 178.12 3hhf h LEU 185 N 0.00 0.00 -1.75 1.33 3.38 -1.55 -0.88 115.31 115.85 3hhf h LEU 185 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hhf h LEU 185 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3hhf h LEU 185 CO 0.00 0.00 0.23 0.00 0.09 0.00 0.00 178.44 178.76 3hhf h ALA 186 N 1.82 1.91 0.00 1.53 0.00 -1.75 -2.27 119.26 120.50 3hhf h ALA 186 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hhf h ALA 186 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hhf h ALA 186 CO -0.00 0.05 -0.18 0.41 0.00 0.00 0.00 179.25 179.52 3hhf n GLY 187 N -1.51 -1.55 3.99 0.00 0.00 -0.34 -4.92 105.19 100.86 3hhf n GLY 187 Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 3hhf n GLY 187 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhf s HIS 188 N -3.08 2.65 -0.40 1.61 4.02 -0.85 -5.08 115.29 114.15 3hhf s HIS 188 Ca 0.11 -0.45 -0.20 0.00 1.02 0.00 0.00 55.06 55.53 3hhf s HIS 188 Cb 0.15 -2.33 0.01 0.00 -1.02 0.00 0.00 32.58 29.39 3hhf s HIS 188 CO 0.62 -0.44 0.63 -0.65 1.02 0.00 0.00 174.74 175.91 3hhf s GLN 189 N -4.34 3.45 -0.19 1.40 -0.21 -1.26 -4.99 119.66 113.51 3hhf s GLN 189 Ca 0.54 -0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.68 3hhf s GLN 189 Cb -0.08 -3.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 3hhf s GLN 189 CO 0.33 -0.88 -0.03 0.00 -2.12 0.00 0.00 175.29 172.59 3hhf s LEU 191 N 0.89 4.39 0.00 0.00 1.43 -0.19 -1.00 118.68 124.19 3hhf s LEU 191 Ca 0.00 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 3hhf s LEU 191 Cb -0.14 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 3hhf s LEU 191 CO 0.02 0.30 0.12 0.61 0.23 0.00 0.00 176.35 177.63 3hhf n GLY 192 N 1.41 3.53 3.81 -3.19 0.00 -0.49 -4.65 105.19 105.61 3hhf n GLY 192 Ca -0.14 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3hhf n GLY 192 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hhf s PHE 193 N -2.56 3.72 0.16 1.61 0.40 -1.26 -1.65 117.98 118.41 3hhf s PHE 193 Ca 0.17 1.33 -0.14 0.00 -0.60 0.00 0.00 56.93 57.69 3hhf s PHE 193 Cb 0.01 -2.56 0.05 0.00 0.51 0.00 0.00 43.02 41.03 3hhf s PHE 193 CO 0.12 0.45 1.78 1.79 0.70 0.00 0.00 175.22 180.06 3hhf h THR 194 N 3.06 1.17 -1.88 0.64 1.35 -1.53 -3.44 112.91 112.29 3hhf h THR 194 Ca -0.48 -0.42 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 3hhf h THR 194 Cb 1.20 0.51 -0.20 0.00 -1.73 0.00 0.00 68.15 67.93 3hhf h THR 194 CO 0.65 0.18 0.29 -1.83 -0.25 0.00 0.00 175.52 174.56 3hhf s GLU 195 N -5.89 0.91 0.38 4.72 -1.05 -1.26 -4.56 118.70 111.95 3hhf s GLU 195 Ca -0.13 0.28 -0.25 0.00 -0.15 0.00 0.00 54.97 54.72 3hhf s GLU 195 Cb 0.12 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 3hhf s GLU 195 CO 0.76 -0.27 1.06 -1.25 0.95 0.00 0.00 175.26 176.50 3hhf s PRO 196 N -1.05 4.26 0.51 -4.83 0.04 -1.26 -4.91 135.00 127.76 3hhf s PRO 196 Ca -0.08 1.56 0.29 0.00 0.04 0.00 0.00 61.00 62.81 3hhf s PRO 196 Cb -0.01 -2.66 1.34 0.00 0.04 0.00 0.00 34.50 33.21 3hhf s PRO 196 CO 0.07 -0.07 2.00 0.78 0.04 0.00 0.00 177.00 179.82 3hhf h GLY 197 N 2.75 0.00 1.97 0.56 0.00 -1.87 -2.67 103.07 103.81 3hhf h GLY 197 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hhf h GLY 197 CO 0.63 0.00 0.01 1.48 0.00 0.00 0.00 176.54 178.66 3hhf h SER 198 N 0.00 0.00 1.07 0.19 4.64 -1.97 -1.78 113.55 115.70 3hhf h SER 198 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hhf h SER 198 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hhf h SER 198 CO 0.02 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 3hhf h LEU 199 N 0.00 0.00 -0.35 5.97 4.07 -1.89 -2.39 115.31 120.72 3hhf h LEU 199 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3hhf h LEU 199 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3hhf h LEU 199 CO -0.00 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.95 3hhf n ASN 200 N -2.82 0.53 -4.54 -0.43 3.02 -0.67 -4.43 115.26 105.92 3hhf n ASN 200 Ca 0.02 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 3hhf n ASN 200 Cb 0.31 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3hhf n ASN 200 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hhf s THR 201 N -1.98 4.19 0.71 3.41 2.01 -0.90 -2.07 115.64 121.01 3hhf s THR 201 Ca 0.41 0.45 -0.11 0.00 0.31 0.00 0.00 61.69 62.74 3hhf s THR 201 Cb 0.20 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 68.07 3hhf s THR 201 CO 0.33 -1.30 1.07 0.26 -0.69 0.00 0.00 174.62 174.29 3hhf s TRP 202 N 4.48 3.12 -0.71 4.92 0.52 0.66 -4.92 118.94 127.00 3hhf s TRP 202 Ca 0.34 1.31 0.04 0.00 0.02 0.00 0.00 56.10 57.81 3hhf s TRP 202 Cb -0.11 -2.94 0.27 0.00 -1.15 0.00 0.00 33.47 29.55 3hhf s TRP 202 CO 0.20 -1.31 0.94 0.00 0.02 0.00 0.00 176.95 176.81 3hhf n ALA 203 N -3.15 3.00 -3.00 0.98 0.00 -1.26 -3.55 120.51 113.53 3hhf n ALA 203 Ca 0.07 -0.66 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 3hhf n ALA 203 Cb 0.55 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 3hhf n ALA 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hhf s VAL 204 N -1.56 4.29 0.01 0.00 0.11 -1.26 0.60 120.40 122.59 3hhf s VAL 204 Ca 0.18 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.85 3hhf s VAL 204 Cb 0.14 -2.96 -0.06 0.00 -1.53 0.00 0.00 36.38 31.97 3hhf s VAL 204 CO 0.05 0.40 0.53 -0.76 -3.33 0.00 0.00 175.10 171.99 3hhf s LEU 205 N 1.08 4.45 0.00 2.54 1.43 0.34 -0.83 118.68 127.70 3hhf s LEU 205 Ca 0.03 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 3hhf s LEU 205 Cb -0.14 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3hhf s LEU 205 CO 0.03 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 175.91 3hhf n ASP 206 N 2.28 -0.10 0.22 2.29 5.68 0.17 -4.70 116.55 122.40 3hhf n ASP 206 Ca -0.10 -0.91 0.06 0.00 -0.50 0.00 0.00 54.79 53.35 3hhf n ASP 206 Cb 0.51 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 3hhf n ASP 206 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hhf h ALA 207 N -2.00 1.81 -0.00 2.12 0.00 -1.99 -1.81 119.26 117.39 3hhf h ALA 207 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hhf h ALA 207 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hhf h ALA 207 CO 0.00 0.14 -0.25 1.04 0.00 0.00 0.00 179.25 180.18 3hhf n GLN 208 N -4.42 0.39 -1.25 0.00 3.00 -1.26 -4.93 117.38 108.91 3hhf n GLN 208 Ca -0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 3hhf n GLN 208 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.92 3hhf n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hhf n GLY 209 N 1.40 0.89 3.71 1.08 0.00 -0.68 -5.08 105.19 106.50 3hhf n GLY 209 Ca 0.10 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 3hhf n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhf s ASN 210 N -2.66 5.49 0.26 1.61 0.01 -1.26 -4.81 114.94 113.58 3hhf s ASN 210 Ca 0.00 0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 52.04 3hhf s ASN 210 Cb 0.00 -1.67 -0.10 0.00 0.41 0.00 0.00 41.25 39.89 3hhf s ASN 210 CO 0.00 0.35 1.49 -2.16 -1.51 0.00 0.00 177.10 175.27 3hhf s PRO 211 N -0.70 4.23 -0.22 -0.60 0.04 -1.26 -0.65 135.00 135.84 3hhf s PRO 211 Ca 0.11 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 3hhf s PRO 211 Cb -0.12 -3.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 3hhf s PRO 211 CO 0.02 -0.49 1.16 -0.47 0.04 0.00 0.00 177.00 177.27 3hhf s TYR 212 N 0.06 3.05 -0.16 0.56 5.04 -0.01 -4.78 117.35 121.11 3hhf s TYR 212 Ca 0.61 1.19 -0.19 0.00 -2.44 0.00 0.00 57.07 56.25 3hhf s TYR 212 Cb -0.43 -3.46 -0.04 0.00 0.35 0.00 0.00 41.96 38.38 3hhf s TYR 212 CO 0.44 -1.14 0.52 0.15 -1.34 0.00 0.00 175.55 174.18 3hhf s LYS 213 N 3.45 4.26 0.17 4.97 1.02 -1.26 -0.25 119.74 132.10 3hhf s LYS 213 Ca 0.50 0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.98 3hhf s LYS 213 Cb -0.18 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 3hhf s LYS 213 CO 0.12 -0.02 0.28 0.96 -0.92 0.00 0.00 175.35 175.77 3hhf s ILE 214 N 1.22 5.24 -0.56 2.17 -4.36 -0.88 -5.00 121.20 119.03 3hhf s ILE 214 Ca 0.26 -0.78 -0.16 0.00 -0.26 0.00 0.00 60.65 59.71 3hhf s ILE 214 Cb -0.15 -3.72 0.13 0.00 1.25 0.00 0.00 42.46 39.97 3hhf s ILE 214 CO 0.10 -0.14 0.52 -0.94 0.24 0.00 0.00 174.94 174.73 3hhf s SER 215 N -3.37 6.22 0.01 4.36 1.04 -1.26 -4.95 113.70 115.75 3hhf s SER 215 Ca 0.34 -1.83 -0.30 0.00 0.48 0.00 0.00 55.95 54.64 3hhf s SER 215 Cb -0.11 -2.21 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 3hhf s SER 215 CO 0.28 -0.85 1.73 -2.16 0.98 0.00 0.00 173.24 173.21 3hhf s PRO 216 N 1.56 4.18 0.02 4.02 0.04 -1.26 -4.67 135.00 138.89 3hhf s PRO 216 Ca 0.04 2.33 -0.28 0.00 0.04 0.00 0.00 61.00 63.14 3hhf s PRO 216 Cb -0.29 -3.90 -0.16 0.00 0.04 0.00 0.00 34.50 30.19 3hhf s PRO 216 CO 0.02 -0.84 1.24 1.25 0.04 0.00 0.00 177.00 178.71 3hhf h HIS 217 N 9.40 -0.78 -3.00 0.56 2.76 -1.44 -3.44 115.15 119.20 3hhf h HIS 217 Ca -0.43 -0.02 -0.61 0.00 -2.20 0.00 0.00 60.37 57.11 3hhf h HIS 217 Cb 1.20 0.26 -0.08 0.00 1.55 0.00 0.00 27.41 30.34 3hhf h HIS 217 CO 0.87 -0.44 -0.58 -0.06 -1.30 0.00 0.00 177.93 176.42 3hhf s PHE 218 N -4.94 3.19 0.25 5.26 0.40 -1.26 -5.03 117.98 115.84 3hhf s PHE 218 Ca -0.15 0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 3hhf s PHE 218 Cb 0.02 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 3hhf s PHE 218 CO 0.49 0.52 -0.11 0.95 0.70 0.00 0.00 175.22 177.77 3hhf s THR 219 N -1.52 1.77 0.11 0.64 -4.23 -1.26 -1.39 115.64 109.76 3hhf s THR 219 Ca 0.30 -2.19 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 3hhf s THR 219 Cb -0.11 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3hhf s THR 219 CO 0.23 -0.43 0.39 0.00 -0.54 0.00 0.00 174.62 174.26 3hhf s ALA 220 N -2.94 -0.89 -0.63 3.99 0.00 -0.66 -4.83 121.76 115.81 3hhf s ALA 220 Ca 0.27 -0.02 0.25 0.00 0.00 0.00 0.00 51.96 52.46 3hhf s ALA 220 Cb 0.01 0.61 0.61 0.00 0.00 0.00 0.00 23.12 24.35 3hhf s ALA 220 CO 0.10 -0.59 1.66 0.66 0.00 0.00 0.00 175.76 177.59 3hhf h SER 221 N 2.53 0.00 -4.68 0.00 4.64 -1.91 -1.17 113.55 112.96 3hhf h SER 221 Ca -0.33 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 60.76 3hhf h SER 221 Cb 1.24 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.11 3hhf h SER 221 CO 0.47 0.01 -0.71 -0.55 -0.87 0.00 0.00 176.83 175.18 3hhf s SER 222 N -5.00 0.33 0.50 4.97 0.15 -1.26 -4.92 113.70 108.47 3hhf s SER 222 Ca 0.09 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.60 3hhf s SER 222 Cb 0.10 0.06 1.28 0.00 -1.71 0.00 0.00 66.02 65.75 3hhf s SER 222 CO 0.64 -0.21 1.99 1.23 1.20 0.00 0.00 173.24 178.08 3hhf h GLY 223 N 4.94 0.00 1.11 9.45 0.00 -1.99 -2.67 103.07 113.92 3hhf h GLY 223 Ca -0.31 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 3hhf h GLY 223 CO 0.43 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.77 3hhf h GLU 224 N 0.00 1.03 -0.75 4.80 4.57 -1.98 -1.01 114.58 121.24 3hhf h GLU 224 Ca -0.00 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 3hhf h GLU 224 Cb 0.49 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3hhf h GLU 224 CO 0.02 1.07 0.29 0.82 -1.18 0.00 0.00 179.01 180.03 3hhf h ILE 225 N 0.92 1.26 -0.63 2.32 2.04 -1.90 -2.51 117.51 119.00 3hhf h ILE 225 Ca 0.14 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 3hhf h ILE 225 Cb 0.68 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3hhf h ILE 225 CO 0.05 0.33 0.15 -0.07 0.00 0.00 0.00 178.15 178.61 3hhf h LEU 226 N 1.10 0.94 -0.57 1.44 3.38 -1.31 -1.42 115.31 118.86 3hhf h LEU 226 Ca 0.25 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hhf h LEU 226 Cb 0.24 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3hhf h LEU 226 CO -0.02 0.91 0.36 -0.09 0.09 0.00 0.00 178.44 179.69 3hhf h ARG 227 N 0.95 0.69 -0.28 1.13 2.43 -0.92 -0.91 114.38 117.46 3hhf h ARG 227 Ca 0.20 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3hhf h ARG 227 Cb 0.35 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3hhf h ARG 227 CO 0.00 0.45 -0.00 0.77 -1.51 0.00 0.00 179.97 179.68 3hhf h SER 228 N 0.71 0.50 -0.45 -3.80 0.02 -1.15 -0.68 113.55 108.70 3hhf h SER 228 Ca 0.23 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3hhf h SER 228 Cb -0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3hhf h SER 228 CO -0.09 0.69 0.21 -0.07 -1.14 0.00 0.00 176.83 176.42 3hhf h LEU 229 N 0.29 0.28 0.11 5.07 3.38 -1.15 -0.82 115.31 122.46 3hhf h LEU 229 Ca 0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hhf h LEU 229 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hhf h LEU 229 CO 0.02 0.20 -0.17 0.00 0.09 0.00 0.00 178.44 178.57 3hhf h LEU 231 N -0.34 0.66 -0.08 0.00 3.38 -0.86 -1.47 115.31 116.59 3hhf h LEU 231 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hhf h LEU 231 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hhf h LEU 231 CO -0.09 0.34 -0.01 -1.20 0.09 0.00 0.00 178.44 177.57 3hhf n SER 232 N -4.55 0.13 0.00 -0.43 7.64 -0.34 -4.87 113.62 111.20 3hhf n SER 232 Ca 0.17 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.25 3hhf n SER 232 Cb 0.45 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3hhf n SER 232 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hhf n GLY 233 N 1.10 0.76 0.17 0.23 0.00 -0.55 -4.99 105.19 101.91 3hhf n GLY 233 Ca 0.21 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3hhf n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhf n GLY 235 N 1.16 -0.58 3.80 0.00 0.00 -1.26 -4.88 105.19 103.43 3hhf n GLY 235 Ca 0.03 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3hhf n GLY 235 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhf s ILE 236 N -3.00 5.03 0.11 -0.61 1.01 0.11 -4.56 121.20 119.29 3hhf s ILE 236 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3hhf s ILE 236 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 3hhf s ILE 236 CO 0.00 0.61 -0.08 0.68 0.00 0.00 0.00 174.94 176.15 3hhf s VAL 237 N -0.92 0.82 -0.24 2.92 -7.23 -0.80 -1.02 120.40 113.92 3hhf s VAL 237 Ca 0.14 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 3hhf s VAL 237 Cb -0.12 -1.68 0.05 0.00 0.56 0.00 0.00 36.38 35.19 3hhf s VAL 237 CO 0.03 -0.82 -0.12 0.00 -0.31 0.00 0.00 175.10 173.89 3hhf s LEU 239 N 1.18 2.12 0.38 0.00 1.43 -0.72 -4.92 118.68 118.15 3hhf s LEU 239 Ca -0.04 -1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 51.65 3hhf s LEU 239 Cb -0.18 0.11 -0.09 0.00 0.03 0.00 0.00 46.19 46.06 3hhf s LEU 239 CO -0.07 -0.62 1.31 -0.44 0.23 0.00 0.00 176.35 176.77 3hhf s SER 240 N -3.07 6.45 0.30 2.29 0.01 -1.26 -1.20 113.70 117.23 3hhf s SER 240 Ca 0.19 2.68 0.06 0.00 1.31 0.00 0.00 55.95 60.19 3hhf s SER 240 Cb 0.07 -2.64 0.76 0.00 0.21 0.00 0.00 66.02 64.42 3hhf s SER 240 CO -0.00 -0.75 1.74 -2.24 0.41 0.00 0.00 173.24 172.39 3hhf h ASP 241 N 2.90 0.60 0.83 2.44 3.04 -1.26 -0.98 116.42 123.99 3hhf h ASP 241 Ca -0.49 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 3hhf h ASP 241 Cb 1.24 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 3hhf h ASP 241 CO 0.63 0.13 0.00 2.19 -2.04 0.00 0.00 179.24 180.16 3hhf h PHE 242 N 0.59 0.00 0.07 4.15 -0.00 -1.91 0.46 116.94 120.30 3hhf h PHE 242 Ca 0.58 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 58.28 3hhf h PHE 242 Cb 1.03 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 37.00 3hhf h PHE 242 CO -0.05 0.00 -1.14 1.25 -0.00 0.00 0.00 178.31 178.37 3hhf h LEU 243 N 0.00 0.76 0.00 2.10 5.85 -1.53 -3.41 115.31 119.08 3hhf h LEU 243 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3hhf h LEU 243 Cb 0.42 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hhf h LEU 243 CO 0.00 1.48 -0.25 1.33 -0.34 0.00 0.00 178.44 180.67 3hhf n VAL 244 N -3.76 0.00 -0.35 1.05 0.24 -0.94 -4.75 118.33 109.81 3hhf n VAL 244 Ca -0.11 -0.39 0.05 0.00 -2.04 0.00 0.00 64.34 61.85 3hhf n VAL 244 Cb 0.94 0.93 0.21 0.00 -1.47 0.00 0.00 33.84 34.45 3hhf n VAL 244 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hhf h ASP 245 N 0.00 0.92 -0.28 -1.34 3.32 -0.32 -0.57 116.42 118.15 3hhf h ASP 245 Ca 0.00 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 3hhf h ASP 245 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3hhf h ASP 245 CO 0.00 0.52 -0.38 -1.13 -1.72 0.00 0.00 179.24 176.53 3hhf h ASN 246 N 1.01 0.87 -0.82 6.45 -0.73 -1.85 -0.79 115.58 119.71 3hhf h ASN 246 Ca 0.47 -0.39 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3hhf h ASN 246 Cb 0.39 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 3hhf h ASN 246 CO -0.24 1.15 0.45 0.44 -0.37 0.00 0.00 177.43 178.86 3hhf h ASP 247 N 0.67 1.02 -0.64 1.15 3.32 -1.58 0.78 116.42 121.15 3hhf h ASP 247 Ca 0.06 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3hhf h ASP 247 Cb 0.94 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3hhf h ASP 247 CO 0.09 0.82 0.17 0.40 -1.72 0.00 0.00 179.24 179.00 3hhf h ILE 248 N 1.14 1.25 -0.23 0.35 2.04 -0.96 0.16 117.51 121.27 3hhf h ILE 248 Ca 0.29 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hhf h ILE 248 Cb 0.02 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3hhf h ILE 248 CO -0.05 0.35 0.13 0.00 0.00 0.00 0.00 178.15 178.58 3hhf h ALA 249 N 1.19 0.29 0.00 1.87 0.00 -0.69 -2.79 119.26 119.13 3hhf h ALA 249 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hhf h ALA 249 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hhf h ALA 249 CO -0.00 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.45 3hhf n GLU 250 N -4.88 0.15 -1.00 0.00 1.02 0.23 -4.90 120.64 111.26 3hhf n GLU 250 Ca -0.03 0.11 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3hhf n GLU 250 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3hhf n GLU 250 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hhf n GLY 251 N 0.63 0.48 0.09 0.62 0.00 -0.12 -4.93 105.19 101.96 3hhf n GLY 251 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 3hhf n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhf h LYS 252 N 0.83 0.01 -5.74 1.61 1.57 -1.05 -3.45 116.57 110.35 3hhf h LYS 252 Ca -0.00 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 3hhf h LYS 252 Cb 0.04 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.10 3hhf h LYS 252 CO 0.00 0.86 -0.82 -0.51 -0.57 0.00 0.00 179.45 178.41 3hhf s LEU 253 N -7.06 2.17 -0.18 2.94 1.43 -1.13 -4.21 118.68 112.64 3hhf s LEU 253 Ca 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3hhf s LEU 253 Cb 0.11 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 3hhf s LEU 253 CO 0.80 0.10 -0.06 -0.63 0.23 0.00 0.00 176.35 176.80 3hhf s ILE 254 N -0.82 3.51 0.23 -0.59 -1.09 0.14 -4.02 121.20 118.56 3hhf s ILE 254 Ca 0.05 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 3hhf s ILE 254 Cb -0.08 -2.55 -0.09 0.00 -1.58 0.00 0.00 42.46 38.15 3hhf s ILE 254 CO 0.02 0.47 1.39 -2.84 -1.23 0.00 0.00 174.94 172.74 3hhf s PRO 255 N 0.86 4.31 0.20 2.79 0.02 -1.26 -2.06 135.00 139.86 3hhf s PRO 255 Ca -0.01 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.29 3hhf s PRO 255 Cb -0.15 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3hhf s PRO 255 CO 0.01 -0.36 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.76 3hhf s LEU 256 N -0.21 3.12 -1.37 -5.54 1.43 0.56 -4.80 118.68 111.86 3hhf s LEU 256 Ca 0.59 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3hhf s LEU 256 Cb -0.40 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3hhf s LEU 256 CO 0.41 0.08 0.39 0.18 0.23 0.00 0.00 176.35 177.64 3hhf n LEU 257 N -0.19 -1.33 -0.25 1.79 4.77 -1.26 -4.47 117.00 116.05 3hhf n LEU 257 Ca -0.10 -1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 54.65 3hhf n LEU 257 Cb 0.56 -1.86 0.05 0.00 -2.33 0.00 0.00 43.42 39.84 3hhf n LEU 257 CO 0.37 0.56 1.12 0.00 -1.33 0.00 0.00 177.39 178.11 3hhf h ALA 258 N 1.04 0.88 -0.16 -1.18 0.00 -1.94 -1.73 119.26 116.17 3hhf h ALA 258 Ca -0.67 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 3hhf h ALA 258 Cb 1.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hhf h ALA 258 CO 0.61 0.36 -0.47 0.93 0.00 0.00 0.00 179.25 180.68 3hhf h GLU 259 N 0.94 0.41 0.00 0.00 5.08 -2.01 -3.15 114.58 115.85 3hhf h GLU 259 Ca 0.25 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hhf h GLU 259 Cb -0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hhf h GLU 259 CO -0.05 0.80 0.00 1.96 -1.00 0.00 0.00 179.01 180.72 3hhf h GLN 260 N 0.33 0.00 -6.46 2.33 7.50 -1.83 -3.46 115.11 113.53 3hhf h GLN 260 Ca 0.02 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.64 3hhf h GLN 260 Cb 0.95 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.46 3hhf h GLN 260 CO 0.08 0.00 0.38 -0.08 -1.50 0.00 0.00 178.83 177.71 3hhf s THR 261 N -3.21 4.73 0.37 -0.54 -1.32 -0.67 -0.50 115.64 114.50 3hhf s THR 261 Ca 0.07 2.03 -0.27 0.00 -1.21 0.00 0.00 61.69 62.31 3hhf s THR 261 Cb 0.06 -4.30 -0.12 0.00 -1.51 0.00 0.00 72.50 66.63 3hhf s THR 261 CO 0.65 0.20 1.30 -0.24 -2.21 0.00 0.00 174.62 174.32 3hhf n SER 262 N 3.60 2.77 0.12 8.08 2.88 0.20 -4.92 113.62 126.35 3hhf n SER 262 Ca 0.05 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 3hhf n SER 262 Cb 0.50 -1.50 0.15 0.00 -0.75 0.00 0.00 64.21 62.61 3hhf n SER 262 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3hhf h ASP 263 N 2.45 0.00 -3.50 -3.46 2.03 -1.94 -3.43 116.42 108.57 3hhf h ASP 263 Ca -0.47 -0.07 -0.56 0.00 -0.73 0.00 0.00 57.03 55.20 3hhf h ASP 263 Cb 1.28 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.90 3hhf h ASP 263 CO 0.62 0.03 0.56 0.29 -1.03 0.00 0.00 179.24 179.71 3hhf n LYS 264 N -2.55 2.20 -4.17 4.15 4.76 -1.26 -4.91 118.16 116.38 3hhf n LYS 264 Ca 0.03 0.77 -0.26 0.00 -2.87 0.00 0.00 58.31 55.98 3hhf n LYS 264 Cb 0.49 -2.41 -0.07 0.00 -1.84 0.00 0.00 35.03 31.20 3hhf n LYS 264 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hhf s THR 265 N -1.12 3.96 -0.02 -0.18 -4.23 -1.26 -4.54 115.64 108.24 3hhf s THR 265 Ca 0.56 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.77 3hhf s THR 265 Cb -0.53 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 3hhf s THR 265 CO 0.62 -0.16 -0.26 -1.38 -0.54 0.00 0.00 174.62 172.90 3hhf s HIS 266 N -1.84 2.34 0.39 3.99 -3.43 -0.40 -4.88 115.29 111.47 3hhf s HIS 266 Ca 0.29 -0.43 -0.23 0.00 -0.80 0.00 0.00 55.06 53.89 3hhf s HIS 266 Cb -0.09 -1.50 -0.10 0.00 -1.43 0.00 0.00 32.58 29.45 3hhf s HIS 266 CO 0.21 -0.03 0.96 -1.25 -2.00 0.00 0.00 174.74 172.62 3hhf s PRO 267 N -0.61 4.35 -0.08 -0.38 0.04 -1.26 -1.22 135.00 135.84 3hhf s PRO 267 Ca 0.10 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.42 3hhf s PRO 267 Cb -0.10 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3hhf s PRO 267 CO -0.01 0.07 -0.18 -0.06 0.04 0.00 0.00 177.00 176.86 3hhf s PHE 268 N -1.90 2.63 0.21 0.56 0.08 0.73 -4.54 117.98 115.75 3hhf s PHE 268 Ca 0.57 -0.58 0.09 0.00 0.12 0.00 0.00 56.93 57.14 3hhf s PHE 268 Cb -0.14 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3hhf s PHE 268 CO 0.19 -0.13 -0.18 -0.80 -0.10 0.00 0.00 175.22 174.20 3hhf s ASN 269 N -0.11 2.95 -0.18 1.36 0.01 -0.99 -0.52 114.94 117.47 3hhf s ASN 269 Ca -0.03 -0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 50.99 3hhf s ASN 269 Cb -0.14 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 3hhf s ASN 269 CO 0.04 -0.05 0.42 0.00 -1.51 0.00 0.00 177.10 176.00 3hhf s ALA 270 N -2.45 3.54 -0.05 0.60 0.00 0.90 -1.75 121.76 122.54 3hhf s ALA 270 Ca 0.22 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.79 3hhf s ALA 270 Cb -0.04 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 3hhf s ALA 270 CO 0.09 -0.21 -0.21 0.08 0.00 0.00 0.00 175.76 175.51 3hhf s VAL 271 N 1.12 2.48 0.01 0.00 1.01 0.21 -0.48 120.40 124.76 3hhf s VAL 271 Ca 0.21 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3hhf s VAL 271 Cb -0.15 -1.93 0.10 0.00 0.00 0.00 0.00 36.38 34.40 3hhf s VAL 271 CO 0.08 0.57 0.85 -0.72 0.00 0.00 0.00 175.10 175.88 3hhf s TYR 272 N -0.40 -0.38 0.25 5.22 1.13 -0.81 -0.78 117.35 121.58 3hhf s TYR 272 Ca 0.04 0.27 -0.25 0.00 -1.41 0.00 0.00 57.07 55.71 3hhf s TYR 272 Cb -0.12 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.18 3hhf s TYR 272 CO 0.02 -0.58 0.86 0.71 -2.51 0.00 0.00 175.55 174.05 3hhf s TYR 273 N -3.06 3.79 0.24 -3.49 1.51 -1.26 0.52 117.35 115.60 3hhf s TYR 273 Ca 0.04 1.70 -0.07 0.00 -1.01 0.00 0.00 57.07 57.73 3hhf s TYR 273 Cb -0.01 -2.84 0.42 0.00 -0.11 0.00 0.00 41.96 39.42 3hhf s TYR 273 CO -0.09 0.35 1.65 0.66 -1.11 0.00 0.00 175.55 177.01 3hhf h SER 274 N 3.67 -0.29 -0.13 2.29 4.64 -1.47 -1.10 113.55 121.16 3hhf h SER 274 Ca -0.47 0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3hhf h SER 274 Cb 1.20 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3hhf h SER 274 CO 0.66 -0.15 0.09 -2.24 -0.87 0.00 0.00 176.83 174.31 3hhf h ASP 275 N 0.12 0.03 1.09 4.97 2.03 -1.94 -1.26 116.42 121.47 3hhf h ASP 275 Ca 0.40 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 3hhf h ASP 275 Cb 0.70 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 3hhf h ASP 275 CO -0.62 0.02 0.00 0.29 -1.03 0.00 0.00 179.24 177.90 3hhf n LYS 276 N -4.51 0.19 0.26 4.15 4.76 -0.42 -3.28 118.16 119.32 3hhf n LYS 276 Ca -0.00 0.26 0.17 0.00 -2.87 0.00 0.00 58.31 55.87 3hhf n LYS 276 Cb 0.18 -1.77 0.75 0.00 -1.84 0.00 0.00 35.03 32.35 3hhf n LYS 276 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hhf h ALA 277 N 2.49 1.00 0.00 7.82 0.00 -1.23 -2.74 119.26 126.59 3hhf h ALA 277 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hhf h ALA 277 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hhf h ALA 277 CO 0.00 0.00 -0.20 -0.24 0.00 0.00 0.00 179.25 178.81 3hhf h VAL 278 N 0.00 0.71 -3.01 0.00 3.04 -1.71 -3.44 116.25 111.84 3hhf h VAL 278 Ca 0.00 -0.86 -0.54 0.00 -1.01 0.00 0.00 66.70 64.28 3hhf h VAL 278 Cb 0.38 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3hhf h VAL 278 CO 0.00 0.20 0.75 0.20 -1.01 0.00 0.00 177.57 177.71 3hhf s ASN 279 N -6.32 6.94 0.15 3.17 0.02 -1.04 -4.94 114.94 112.91 3hhf s ASN 279 Ca -0.02 2.03 -0.17 0.00 -1.02 0.00 0.00 52.86 53.68 3hhf s ASN 279 Cb 0.13 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.83 3hhf s ASN 279 CO 0.63 -0.64 1.81 0.25 0.02 0.00 0.00 177.10 179.17 3hhf h LEU 280 N 7.95 0.41 -1.27 0.60 6.46 -1.89 -2.44 115.31 125.13 3hhf h LEU 280 Ca -0.38 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.31 3hhf h LEU 280 Cb 1.18 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3hhf h LEU 280 CO 0.88 0.30 -0.15 0.08 -0.62 0.00 0.00 178.44 178.93 3hhf h ARG 281 N 0.49 0.32 -0.56 1.25 0.11 -1.92 0.49 114.38 114.55 3hhf h ARG 281 Ca 0.13 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 60.02 3hhf h ARG 281 Cb -0.05 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 30.97 3hhf h ARG 281 CO -0.03 0.47 -0.07 1.25 0.10 0.00 0.00 179.97 181.69 3hhf h LEU 282 N 0.30 1.03 -0.28 0.08 5.85 -1.85 -1.86 115.31 118.58 3hhf h LEU 282 Ca 0.06 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3hhf h LEU 282 Cb 0.44 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hhf h LEU 282 CO 0.03 1.12 0.05 0.03 -0.34 0.00 0.00 178.44 179.33 3hhf h ARG 283 N 0.92 0.46 -0.04 1.25 3.08 -0.76 -0.09 114.38 119.19 3hhf h ARG 283 Ca 0.15 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3hhf h ARG 283 Cb 0.64 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3hhf h ARG 283 CO 0.04 0.57 -0.52 -0.39 -1.07 0.00 0.00 179.97 178.60 3hhf h VAL 284 N 0.27 1.37 -0.09 2.04 -1.51 -1.00 -0.88 116.25 116.46 3hhf h VAL 284 Ca 0.08 -1.79 -0.02 0.00 -1.23 0.00 0.00 66.70 63.74 3hhf h VAL 284 Cb 0.33 1.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3hhf h VAL 284 CO 0.01 0.52 -0.04 0.15 -1.23 0.00 0.00 177.57 176.98 3hhf h PHE 285 N 0.09 0.20 -0.38 5.19 3.57 -1.22 -1.24 116.94 123.15 3hhf h PHE 285 Ca -0.00 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.50 3hhf h PHE 285 Cb 0.95 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 3hhf h PHE 285 CO 0.01 0.53 0.13 -0.07 -2.23 0.00 0.00 178.31 176.68 3hhf h LEU 286 N -0.18 0.13 -0.33 0.59 3.38 -0.94 -0.05 115.31 117.91 3hhf h LEU 286 Ca 0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hhf h LEU 286 Cb 0.47 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hhf h LEU 286 CO 0.01 0.11 0.14 0.44 0.09 0.00 0.00 178.44 179.23 3hhf h ASP 287 N 0.28 0.19 -0.36 -0.43 3.32 -1.14 -0.85 116.42 117.43 3hhf h ASP 287 Ca 0.18 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3hhf h ASP 287 Cb 0.16 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3hhf h ASP 287 CO -0.18 0.15 0.15 0.15 -1.72 0.00 0.00 179.24 177.79 3hhf h PHE 288 N 0.30 0.28 -0.75 4.55 3.57 -0.92 -1.59 116.94 122.38 3hhf h PHE 288 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3hhf h PHE 288 Cb 0.08 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3hhf h PHE 288 CO -0.12 0.13 0.25 -0.07 -2.23 0.00 0.00 178.31 176.28 3hhf h LEU 289 N 0.32 1.06 -0.34 0.59 4.07 -0.62 0.96 115.31 121.36 3hhf h LEU 289 Ca 0.16 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3hhf h LEU 289 Cb 0.10 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3hhf h LEU 289 CO -0.14 0.97 0.05 0.58 -1.08 0.00 0.00 178.44 178.82 3hhf h VAL 290 N 1.10 1.24 0.17 1.22 2.07 -0.97 -0.06 116.25 121.02 3hhf h VAL 290 Ca 0.24 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3hhf h VAL 290 Cb 0.28 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3hhf h VAL 290 CO -0.01 0.28 -0.08 -0.08 0.02 0.00 0.00 177.57 177.70 3hhf h GLU 291 N 0.39 -0.22 -0.24 1.57 4.57 -1.06 -3.23 114.58 116.36 3hhf h GLU 291 Ca 0.10 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 3hhf h GLU 291 Cb 0.36 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3hhf h GLU 291 CO 0.01 -0.08 -0.42 0.93 -1.18 0.00 0.00 179.01 178.26 3hhf h GLU 292 N -0.30 0.71 -0.03 1.92 4.39 -0.79 -3.28 114.58 117.21 3hhf h GLU 292 Ca -0.02 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3hhf h GLU 292 Cb 0.23 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3hhf h GLU 292 CO 0.04 1.07 0.00 1.28 -1.16 0.00 0.00 179.01 180.23 3hhf n LEU 293 N -4.18 0.46 0.00 1.33 4.77 -0.04 -5.08 117.00 114.26 3hhf n LEU 293 Ca -0.05 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3hhf n LEU 293 Cb 0.55 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3hhf n LEU 293 CO 0.47 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.23