#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg1 n SER 66 N 0.00 1.85 -0.30 1.61 3.41 -1.26 -4.46 113.62 114.47 2hg1 n SER 66 Ca 0.00 -1.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.32 2hg1 n SER 66 Cb 0.00 0.47 0.36 0.00 -0.26 0.00 0.00 64.21 64.77 2hg1 n SER 66 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2hg1 h HIS 67 N 2.16 0.89 -0.38 7.33 -0.00 -2.04 -1.86 115.15 121.25 2hg1 h HIS 67 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.29 2hg1 h HIS 67 Cb 0.71 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2hg1 h HIS 67 CO 0.00 0.30 -0.16 1.98 -0.00 0.00 0.00 177.93 180.05 2hg1 h MET 68 N 0.73 0.79 0.12 5.12 -1.53 -1.98 -2.25 114.93 115.93 2hg1 h MET 68 Ca 0.48 -0.33 -0.28 0.00 -3.44 0.00 0.00 59.70 56.13 2hg1 h MET 68 Cb 0.76 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.78 2hg1 h MET 68 CO -0.24 0.96 -1.28 -0.07 0.14 0.00 0.00 176.91 176.41 2hg1 h LEU 69 N 0.59 0.38 -1.26 3.39 4.07 -1.82 -1.71 115.31 118.95 2hg1 h LEU 69 Ca 0.09 -0.43 -0.06 0.00 0.08 0.00 0.00 57.88 57.55 2hg1 h LEU 69 Cb 0.71 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2hg1 h LEU 69 CO 0.05 1.34 -0.30 0.03 -1.08 0.00 0.00 178.44 178.48 2hg1 h ARG 70 N 0.07 0.00 -0.01 1.13 3.08 -1.39 -2.85 114.38 114.41 2hg1 h ARG 70 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2hg1 h ARG 70 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.02 2hg1 h ARG 70 CO 0.19 0.30 -0.71 0.39 -1.07 0.00 0.00 179.97 179.08 2hg1 n GLU 71 N -3.69 0.82 -3.12 0.04 1.02 -0.85 -4.99 120.64 109.87 2hg1 n GLU 71 Ca -0.01 -0.48 -0.21 0.00 -0.02 0.00 0.00 57.16 56.44 2hg1 n GLU 71 Cb 0.41 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 2hg1 n GLU 71 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hg1 n LYS 72 N -0.77 -3.66 0.00 3.49 5.02 -0.66 -4.84 118.16 116.74 2hg1 n LYS 72 Ca 0.06 0.63 0.02 0.00 -2.02 0.00 0.00 58.31 57.00 2hg1 n LYS 72 Cb 0.38 -5.37 0.13 0.00 -0.02 0.00 0.00 35.03 30.15 2hg1 n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2hg1 n SER 73 N -2.29 0.00 -0.02 4.39 3.41 -1.11 -2.14 113.62 115.86 2hg1 n SER 73 Ca -0.07 -0.89 0.10 0.00 -0.26 0.00 0.00 58.87 57.76 2hg1 n SER 73 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 2hg1 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hg1 n GLU 74 N -0.63 0.06 -3.42 4.33 1.02 -1.26 -4.93 120.64 115.81 2hg1 n GLU 74 Ca 0.03 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 2hg1 n GLU 74 Cb 0.02 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 2hg1 n GLU 74 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2hg1 s LYS 75 N -2.97 4.20 0.17 3.49 -0.14 -0.91 -1.52 119.74 122.06 2hg1 s LYS 75 Ca 0.09 0.35 0.03 0.00 -1.36 0.00 0.00 55.97 55.08 2hg1 s LYS 75 Cb 0.16 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 2hg1 s LYS 75 CO 0.84 0.32 -0.03 -0.06 -0.76 0.00 0.00 175.35 175.67 2hg1 s PHE 76 N 0.12 1.26 0.07 3.18 0.40 0.28 -5.00 117.98 118.29 2hg1 s PHE 76 Ca 0.23 -0.92 0.05 0.00 -0.60 0.00 0.00 56.93 55.69 2hg1 s PHE 76 Cb -0.15 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 2hg1 s PHE 76 CO 0.10 -0.10 -0.05 0.00 0.70 0.00 0.00 175.22 175.87 2hg1 s ALA 77 N -3.52 3.13 0.62 5.36 0.00 -1.26 -2.18 121.76 123.90 2hg1 s ALA 77 Ca 0.22 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 2hg1 s ALA 77 Cb 0.05 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 2hg1 s ALA 77 CO 0.03 0.66 1.05 -0.06 0.00 0.00 0.00 175.76 177.44 2hg1 s PHE 78 N -1.19 3.13 0.36 0.00 0.40 -1.26 -4.95 117.98 114.47 2hg1 s PHE 78 Ca 0.22 1.46 -0.26 0.00 -0.60 0.00 0.00 56.93 57.75 2hg1 s PHE 78 Cb -0.11 -2.92 -0.09 0.00 0.51 0.00 0.00 43.02 40.41 2hg1 s PHE 78 CO 0.14 -1.04 1.13 -1.14 0.70 0.00 0.00 175.22 175.00 2hg1 s GLN 79 N -4.49 4.26 0.23 0.44 0.74 -0.87 -4.87 119.66 115.09 2hg1 s GLN 79 Ca 0.60 1.76 -0.12 0.00 0.05 0.00 0.00 55.36 57.65 2hg1 s GLN 79 Cb -0.14 -2.80 0.28 0.00 1.10 0.00 0.00 33.01 31.45 2hg1 s GLN 79 CO 0.44 -0.12 1.61 0.00 -0.55 0.00 0.00 175.29 176.67 2hg1 h ALA 80 N 2.95 0.47 -0.94 1.58 0.00 -1.94 0.94 119.26 122.32 2hg1 h ALA 80 Ca -0.48 0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2hg1 h ALA 80 Cb 1.22 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.48 2hg1 h ALA 80 CO 0.64 -0.41 0.60 0.93 0.00 0.00 0.00 179.25 181.00 2hg1 h GLU 81 N -0.00 0.80 -0.36 0.00 3.07 -1.97 -0.73 114.58 115.40 2hg1 h GLU 81 Ca 0.34 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.02 2hg1 h GLU 81 Cb 0.52 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2hg1 h GLU 81 CO -0.73 0.53 -0.32 0.28 -1.40 0.00 0.00 179.01 177.36 2hg1 h VAL 82 N 0.83 1.28 -0.18 3.13 2.07 -1.19 -0.24 116.25 121.96 2hg1 h VAL 82 Ca 0.47 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2hg1 h VAL 82 Cb 0.62 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2hg1 h VAL 82 CO -0.24 0.49 0.08 0.78 0.02 0.00 0.00 177.57 178.70 2hg1 h ASN 83 N 0.66 0.23 -0.68 0.57 2.35 -0.51 0.47 115.58 118.68 2hg1 h ASN 83 Ca 0.07 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2hg1 h ASN 83 Cb 0.86 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 2hg1 h ASN 83 CO 0.08 0.30 0.45 0.03 -1.65 0.00 0.00 177.43 176.63 2hg1 h ARG 84 N 0.15 0.90 -0.33 0.81 3.08 -1.11 -2.55 114.38 115.33 2hg1 h ARG 84 Ca 0.06 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2hg1 h ARG 84 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2hg1 h ARG 84 CO -0.01 0.60 -0.06 1.98 -1.07 0.00 0.00 179.97 181.41 2hg1 h MET 85 N 0.92 0.63 -0.87 0.04 4.05 -0.51 -2.22 114.93 116.97 2hg1 h MET 85 Ca 0.25 -0.23 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 2hg1 h MET 85 Cb -0.10 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.60 2hg1 h MET 85 CO -0.05 0.79 0.56 0.52 0.23 0.00 0.00 176.91 178.96 2hg1 h MET 86 N 0.41 1.03 -0.07 0.39 2.86 -0.58 -0.87 114.93 118.10 2hg1 h MET 86 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2hg1 h MET 86 Cb 0.55 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2hg1 h MET 86 CO 0.03 0.68 0.01 0.87 1.06 0.00 0.00 176.91 179.56 2hg1 h LYS 87 N 1.06 0.11 -0.13 1.72 1.57 -1.36 0.28 116.57 119.83 2hg1 h LYS 87 Ca 0.36 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 2hg1 h LYS 87 Cb 0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2hg1 h LYS 87 CO -0.14 0.32 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.95 2hg1 h LEU 88 N -0.12 -0.16 -0.14 2.94 3.38 -1.15 0.17 115.31 120.22 2hg1 h LEU 88 Ca 0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2hg1 h LEU 88 Cb 0.26 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2hg1 h LEU 88 CO 0.00 -0.06 0.04 0.40 0.09 0.00 0.00 178.44 178.91 2hg1 h ILE 89 N -0.02 0.95 -0.28 1.22 2.04 -1.11 -1.39 117.51 118.92 2hg1 h ILE 89 Ca 0.07 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2hg1 h ILE 89 Cb 0.12 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2hg1 h ILE 89 CO -0.14 0.02 -0.09 0.40 0.00 0.00 0.00 178.15 178.34 2hg1 h ILE 90 N 0.10 1.21 0.06 -0.67 2.04 -0.67 -2.60 117.51 116.98 2hg1 h ILE 90 Ca 0.06 -0.91 -0.17 0.00 1.00 0.00 0.00 64.86 64.84 2hg1 h ILE 90 Cb 0.05 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2hg1 h ILE 90 CO -0.08 0.30 -0.71 0.78 0.00 0.00 0.00 178.15 178.44 2hg1 h ASN 91 N 0.43 0.52 -0.43 1.72 -0.26 -0.44 -3.24 115.58 113.87 2hg1 h ASN 91 Ca 0.09 -0.84 -0.12 0.00 -0.56 0.00 0.00 56.30 54.86 2hg1 h ASN 91 Cb 0.42 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2hg1 h ASN 91 CO 0.02 1.31 -0.21 0.77 -1.06 0.00 0.00 177.43 178.26 2hg1 h SER 92 N -0.20 0.94 -0.28 5.81 4.64 -1.28 -3.13 113.55 120.04 2hg1 h SER 92 Ca -0.11 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2hg1 h SER 92 Cb 1.47 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2hg1 h SER 92 CO 0.14 1.13 0.00 0.18 -0.87 0.00 0.00 176.83 177.41 2hg1 n LEU 93 N -4.18 2.29 -0.19 5.97 4.77 -0.98 -4.40 117.00 120.27 2hg1 n LEU 93 Ca -0.01 -1.16 0.16 0.00 -0.03 0.00 0.00 56.01 54.98 2hg1 n LEU 93 Cb 0.45 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.65 2hg1 n LEU 93 CO 0.46 0.42 1.21 1.88 -1.33 0.00 0.00 177.39 180.03 2hg1 h TYR 94 N 1.77 0.53 -0.00 -1.77 0.05 -1.57 -0.81 116.97 115.17 2hg1 h TYR 94 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2hg1 h TYR 94 Cb 0.75 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2hg1 h TYR 94 CO 0.33 0.18 -0.53 0.36 -1.05 0.00 0.00 178.16 177.45 2hg1 n LYS 95 N -4.49 0.07 -2.75 4.88 -0.00 -1.26 -4.27 118.16 110.33 2hg1 n LYS 95 Ca 0.16 -0.04 -0.21 0.00 -0.00 0.00 0.00 58.31 58.22 2hg1 n LYS 95 Cb 0.57 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.09 2hg1 n LYS 95 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2hg1 n ASN 96 N -1.43 3.20 0.03 -5.58 2.85 -0.33 -4.94 115.26 109.05 2hg1 n ASN 96 Ca 0.06 -3.34 0.11 0.00 -0.11 0.00 0.00 54.58 51.30 2hg1 n ASN 96 Cb 0.34 -0.53 0.56 0.00 1.24 0.00 0.00 39.78 41.39 2hg1 n ASN 96 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2hg1 h LYS 97 N 2.85 0.25 0.00 1.20 1.57 -1.68 -2.89 116.57 117.87 2hg1 h LYS 97 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2hg1 h LYS 97 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2hg1 h LYS 97 CO 0.70 0.17 0.03 1.05 -0.57 0.00 0.00 179.45 180.82 2hg1 h GLU 98 N 0.26 0.00 -0.00 3.15 9.09 -1.92 -2.75 114.58 122.41 2hg1 h GLU 98 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2hg1 h GLU 98 Cb 0.42 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2hg1 h GLU 98 CO -0.04 0.00 0.02 0.82 0.05 0.00 0.00 179.01 179.86 2hg1 h ILE 99 N 0.00 0.08 -0.71 -1.06 1.08 -1.90 -2.74 117.51 112.26 2hg1 h ILE 99 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2hg1 h ILE 99 Cb 0.06 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 2hg1 h ILE 99 CO 0.00 0.00 0.44 2.19 -0.69 0.00 0.00 178.15 180.09 2hg1 h PHE 100 N 0.00 0.82 -0.70 1.37 -0.00 -1.75 -1.89 116.94 114.79 2hg1 h PHE 100 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 57.99 2hg1 h PHE 100 Cb 0.03 -0.27 -0.03 0.00 -0.00 0.00 0.00 35.95 35.68 2hg1 h PHE 100 CO 0.00 0.46 0.43 1.25 -0.00 0.00 0.00 178.31 180.45 2hg1 h LEU 101 N 0.85 0.84 -0.89 2.10 5.85 -1.76 -0.93 115.31 121.38 2hg1 h LEU 101 Ca 0.29 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2hg1 h LEU 101 Cb 0.05 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2hg1 h LEU 101 CO -0.12 0.64 0.58 -0.09 -0.34 0.00 0.00 178.44 179.11 2hg1 h ARG 102 N 0.96 1.10 -0.06 1.25 2.43 -1.51 -1.36 114.38 117.19 2hg1 h ARG 102 Ca 0.25 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 2hg1 h ARG 102 Cb -0.05 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 2hg1 h ARG 102 CO -0.05 0.73 -0.59 0.93 -1.51 0.00 0.00 179.97 179.48 2hg1 h GLU 103 N 1.13 0.20 -0.09 0.20 4.39 -0.67 -1.24 114.58 118.50 2hg1 h GLU 103 Ca 0.35 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2hg1 h GLU 103 Cb -0.02 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2hg1 h GLU 103 CO -0.11 0.73 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.32 2hg1 h LEU 104 N 0.15 0.22 -1.23 1.33 3.38 -0.75 -0.35 115.31 118.06 2hg1 h LEU 104 Ca -0.00 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.53 2hg1 h LEU 104 Cb 1.08 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2hg1 h LEU 104 CO 0.09 0.64 0.53 0.40 0.09 0.00 0.00 178.44 180.19 2hg1 h ILE 105 N -0.19 1.15 -0.52 1.22 2.04 -1.24 0.13 117.51 120.10 2hg1 h ILE 105 Ca 0.02 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 2hg1 h ILE 105 Cb 0.57 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2hg1 h ILE 105 CO 0.02 0.19 -0.16 -1.28 0.00 0.00 0.00 178.15 176.91 2hg1 h SER 106 N 1.02 1.04 0.09 1.72 0.87 -1.09 0.75 113.55 117.95 2hg1 h SER 106 Ca 0.32 -0.37 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2hg1 h SER 106 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2hg1 h SER 106 CO -0.09 1.17 -0.36 0.78 -0.53 0.00 0.00 176.83 177.80 2hg1 h ASN 107 N 0.89 0.38 -0.33 6.23 2.35 -0.18 -2.00 115.58 122.92 2hg1 h ASN 107 Ca 0.13 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2hg1 h ASN 107 Cb 0.74 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2hg1 h ASN 107 CO 0.06 0.72 0.08 0.00 -1.65 0.00 0.00 177.43 176.64 2hg1 h ALA 108 N 1.31 0.44 -0.54 -0.83 0.00 -0.21 -1.99 119.26 117.45 2hg1 h ALA 108 Ca 0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2hg1 h ALA 108 Cb 0.78 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2hg1 h ALA 108 CO 0.06 0.10 0.24 1.03 0.00 0.00 0.00 179.25 180.69 2hg1 h SER 109 N 0.38 0.31 -0.56 0.00 0.87 -0.53 -0.89 113.55 113.13 2hg1 h SER 109 Ca 0.11 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2hg1 h SER 109 Cb 0.29 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2hg1 h SER 109 CO 0.00 0.21 0.31 0.44 -0.53 0.00 0.00 176.83 177.26 2hg1 h ASP 110 N 0.46 0.70 -0.45 6.23 3.45 -1.16 -1.05 116.42 124.60 2hg1 h ASP 110 Ca 0.25 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.62 2hg1 h ASP 110 Cb 0.22 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 2hg1 h ASP 110 CO -0.21 0.59 0.29 0.00 -1.57 0.00 0.00 179.24 178.35 2hg1 h ALA 111 N 1.14 1.66 -0.07 3.45 0.00 -0.69 -1.26 119.26 123.50 2hg1 h ALA 111 Ca 0.20 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2hg1 h ALA 111 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2hg1 h ALA 111 CO -0.03 0.31 -0.83 -0.07 0.00 0.00 0.00 179.25 178.63 2hg1 h LEU 112 N 0.62 0.64 -0.50 0.00 3.38 -0.55 -1.30 115.31 117.60 2hg1 h LEU 112 Ca 0.17 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2hg1 h LEU 112 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2hg1 h LEU 112 CO -0.03 1.23 0.17 0.44 0.09 0.00 0.00 178.44 180.34 2hg1 h ASP 113 N 0.33 0.72 -0.29 -0.43 3.32 -0.53 -1.72 116.42 117.83 2hg1 h ASP 113 Ca -0.06 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2hg1 h ASP 113 Cb 1.44 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 2hg1 h ASP 113 CO 0.15 0.72 0.12 0.11 -1.72 0.00 0.00 179.24 178.62 2hg1 h LYS 114 N 0.68 0.26 -0.19 3.56 1.57 -1.25 0.54 116.57 121.74 2hg1 h LYS 114 Ca 0.16 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2hg1 h LYS 114 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2hg1 h LYS 114 CO -0.01 0.17 -0.26 0.97 -0.57 0.00 0.00 179.45 179.75 2hg1 h ILE 115 N 0.26 1.26 -0.54 1.86 6.09 -1.39 -0.98 117.51 124.06 2hg1 h ILE 115 Ca 0.12 -1.22 -0.09 0.00 -1.37 0.00 0.00 64.86 62.30 2hg1 h ILE 115 Cb 0.07 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 2hg1 h ILE 115 CO -0.11 0.38 -0.02 -0.09 -3.07 0.00 0.00 178.15 175.24 2hg1 h ARG 116 N 0.32 0.94 -0.28 2.19 2.43 -0.72 0.17 114.38 119.42 2hg1 h ARG 116 Ca 0.05 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.86 2hg1 h ARG 116 Cb 0.63 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2hg1 h ARG 116 CO 0.05 0.94 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.27 2hg1 h LEU 117 N 0.86 0.58 -1.30 3.80 3.38 -0.45 -2.79 115.31 119.40 2hg1 h LEU 117 Ca 0.16 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2hg1 h LEU 117 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2hg1 h LEU 117 CO 0.03 0.84 0.11 0.40 0.09 0.00 0.00 178.44 179.91 2hg1 h ILE 118 N 0.32 1.18 0.00 1.22 2.04 -0.87 -1.52 117.51 119.87 2hg1 h ILE 118 Ca 0.07 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2hg1 h ILE 118 Cb 0.61 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2hg1 h ILE 118 CO 0.04 0.23 -0.06 0.77 0.00 0.00 0.00 178.15 179.12 2hg1 h SER 119 N 0.58 0.00 -0.62 1.72 4.64 -0.40 0.11 113.55 119.59 2hg1 h SER 119 Ca 0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 2hg1 h SER 119 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2hg1 h SER 119 CO -0.01 0.06 0.04 -0.07 -0.87 0.00 0.00 176.83 175.98 2hg1 h LEU 120 N 0.00 1.03 -0.03 5.97 3.38 -1.13 -3.31 115.31 121.23 2hg1 h LEU 120 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2hg1 h LEU 120 Cb 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2hg1 h LEU 120 CO 0.01 1.07 -0.61 0.35 0.09 0.00 0.00 178.44 179.34 2hg1 n THR 121 N -4.22 0.00 -4.03 0.22 -2.24 -0.97 -4.88 114.28 98.17 2hg1 n THR 121 Ca 0.03 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2hg1 n THR 121 Cb 0.32 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.41 2hg1 n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hg1 s ASP 122 N -2.23 4.65 0.58 3.42 3.68 0.34 -5.00 116.67 122.12 2hg1 s ASP 122 Ca 0.05 -1.82 0.28 0.00 2.13 0.00 0.00 52.55 53.19 2hg1 s ASP 122 Cb 0.10 -1.60 1.59 0.00 -1.45 0.00 0.00 42.92 41.56 2hg1 s ASP 122 CO 0.54 -0.30 2.07 1.05 0.13 0.00 0.00 175.17 178.65 2hg1 h GLU 123 N 7.70 0.00 -0.60 4.34 -0.00 -1.85 -1.98 114.58 122.19 2hg1 h GLU 123 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.04 2hg1 h GLU 123 Cb 1.03 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 29.66 2hg1 h GLU 123 CO 0.50 0.00 0.19 0.09 -0.00 0.00 0.00 179.01 179.79 2hg1 n ASN 124 N -3.88 3.96 0.02 3.06 3.02 -1.26 -4.69 115.26 115.49 2hg1 n ASN 124 Ca 0.03 -3.37 -0.12 0.00 -0.03 0.00 0.00 54.58 51.09 2hg1 n ASN 124 Cb 0.38 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 38.78 2hg1 n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hg1 h ALA 125 N 1.89 0.04 -0.38 5.41 0.00 -1.68 -3.20 119.26 121.34 2hg1 h ALA 125 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2hg1 h ALA 125 Cb 2.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2hg1 h ALA 125 CO 0.61 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2hg1 n LEU 126 N -5.01 3.05 -0.23 0.00 4.77 -1.26 -4.54 117.00 113.78 2hg1 n LEU 126 Ca -0.07 -1.54 0.02 0.00 -0.03 0.00 0.00 56.01 54.40 2hg1 n LEU 126 Cb 0.08 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 40.85 2hg1 n LEU 126 CO 0.33 0.52 1.00 0.00 -1.33 0.00 0.00 177.39 177.91 2hg1 h ALA 127 N 3.48 0.89 0.00 -1.18 0.00 -1.89 -2.15 119.26 118.40 2hg1 h ALA 127 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hg1 h ALA 127 Cb 0.98 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2hg1 h ALA 127 CO 0.15 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2hg1 n GLY 128 N -1.31 -1.10 3.15 0.00 0.00 -1.26 -4.62 105.19 100.04 2hg1 n GLY 128 Ca 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2hg1 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hg1 s ASN 129 N -3.34 -0.01 0.07 1.61 3.84 -0.82 -3.91 114.94 112.37 2hg1 s ASN 129 Ca 0.07 0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.29 2hg1 s ASN 129 Cb 0.10 1.00 0.63 0.00 -0.55 0.00 0.00 41.25 42.44 2hg1 s ASN 129 CO 0.31 -0.00 1.46 -1.84 -2.79 0.00 0.00 177.10 174.24 2hg1 n GLU 130 N 5.27 0.05 -3.25 0.43 -0.00 -1.13 -4.81 120.64 117.19 2hg1 n GLU 130 Ca -0.00 0.34 -0.24 0.00 -0.00 0.00 0.00 57.16 57.26 2hg1 n GLU 130 Cb 0.57 -1.60 -0.01 0.00 -0.00 0.00 0.00 31.44 30.40 2hg1 n GLU 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2hg1 s GLU 131 N -3.09 3.45 -0.52 3.44 -1.05 -1.26 -5.06 118.70 114.61 2hg1 s GLU 131 Ca 0.05 -0.29 0.03 0.00 -0.15 0.00 0.00 54.97 54.61 2hg1 s GLU 131 Cb 0.08 -2.62 0.15 0.00 -0.44 0.00 0.00 34.13 31.30 2hg1 s GLU 131 CO 0.25 0.07 0.33 -0.51 0.95 0.00 0.00 175.26 176.34 2hg1 s LEU 132 N -4.39 3.27 0.28 1.83 1.43 -1.26 -4.78 118.68 115.06 2hg1 s LEU 132 Ca 0.42 -3.08 0.04 0.00 -1.03 0.00 0.00 54.13 50.47 2hg1 s LEU 132 Cb -0.10 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2hg1 s LEU 132 CO 0.37 -0.20 0.21 0.42 0.23 0.00 0.00 176.35 177.39 2hg1 s THR 133 N -0.27 0.03 -0.09 5.49 -4.23 -1.26 -4.37 115.64 110.93 2hg1 s THR 133 Ca 0.22 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2hg1 s THR 133 Cb -0.15 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.22 2hg1 s THR 133 CO -0.08 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.26 2hg1 s VAL 134 N -3.72 0.82 -0.08 2.29 1.01 -0.90 -2.21 120.40 117.61 2hg1 s VAL 134 Ca 0.40 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2hg1 s VAL 134 Cb 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2hg1 s VAL 134 CO 0.21 0.32 -0.18 -0.54 0.00 0.00 0.00 175.10 174.92 2hg1 s LYS 135 N 1.58 2.30 -0.16 2.72 1.02 0.14 -0.43 119.74 126.90 2hg1 s LYS 135 Ca 0.01 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2hg1 s LYS 135 Cb -0.13 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2hg1 s LYS 135 CO -0.05 0.10 -0.08 0.42 -0.92 0.00 0.00 175.35 174.81 2hg1 s ILE 136 N 0.51 3.38 -0.06 2.17 1.01 0.94 -0.85 121.20 128.30 2hg1 s ILE 136 Ca -0.16 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2hg1 s ILE 136 Cb -0.17 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2hg1 s ILE 136 CO 0.06 0.49 -0.23 -0.54 0.00 0.00 0.00 174.94 174.72 2hg1 s LYS 137 N 0.64 2.41 -0.23 2.79 1.02 -0.57 -0.89 119.74 124.91 2hg1 s LYS 137 Ca -0.05 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 2hg1 s LYS 137 Cb -0.15 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 2hg1 s LYS 137 CO 0.03 0.32 0.01 0.00 -0.92 0.00 0.00 175.35 174.78 2hg1 s ASP 139 N 1.42 5.65 0.14 0.00 -1.08 0.28 -4.93 116.67 118.15 2hg1 s ASP 139 Ca 0.05 -3.34 -0.19 0.00 -0.52 0.00 0.00 52.55 48.55 2hg1 s ASP 139 Cb -0.15 -1.88 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 2hg1 s ASP 139 CO 0.01 -0.27 1.71 0.07 0.52 0.00 0.00 175.17 177.21 2hg1 h LYS 140 N 6.46 0.06 -0.97 4.34 5.09 -1.84 0.12 116.57 129.83 2hg1 h LYS 140 Ca 0.08 -0.00 0.14 0.00 0.09 0.00 0.00 60.65 60.96 2hg1 h LYS 140 Cb 0.88 -0.01 -0.08 0.00 0.10 0.00 0.00 32.23 33.11 2hg1 h LYS 140 CO 0.78 0.04 0.62 1.05 -2.09 0.00 0.00 179.45 179.85 2hg1 h GLU 141 N 0.06 0.86 -0.04 0.07 -0.00 -1.96 -1.43 114.58 112.15 2hg1 h GLU 141 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 2hg1 h GLU 141 Cb 0.17 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 28.72 2hg1 h GLU 141 CO -0.22 0.57 0.00 1.63 -0.00 0.00 0.00 179.01 180.99 2hg1 n LYS 142 N -4.62 2.11 -3.51 1.06 5.02 -0.90 -4.96 118.16 112.37 2hg1 n LYS 142 Ca 0.19 -1.61 -0.21 0.00 -2.02 0.00 0.00 58.31 54.66 2hg1 n LYS 142 Cb 0.41 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.04 2hg1 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hg1 n ASN 143 N 0.96 -4.61 -4.08 4.39 5.15 0.33 -4.96 115.26 112.44 2hg1 n ASN 143 Ca 0.16 -0.56 -0.19 0.00 -0.60 0.00 0.00 54.58 53.39 2hg1 n ASN 143 Cb 0.52 -4.98 -0.14 0.00 -0.53 0.00 0.00 39.78 34.65 2hg1 n ASN 143 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hg1 s LEU 144 N -6.82 2.09 -0.13 1.20 1.43 -0.63 -2.47 118.68 113.36 2hg1 s LEU 144 Ca 0.35 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2hg1 s LEU 144 Cb -0.15 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 2hg1 s LEU 144 CO 0.71 0.06 -0.17 -0.22 0.23 0.00 0.00 176.35 176.97 2hg1 s LEU 145 N -0.68 2.45 -0.10 1.79 2.96 -0.64 -0.55 118.68 123.92 2hg1 s LEU 145 Ca 0.02 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2hg1 s LEU 145 Cb -0.06 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2hg1 s LEU 145 CO 0.00 0.14 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.01 2hg1 s HIS 146 N 0.47 2.69 -0.25 5.38 3.76 -0.21 -0.37 115.29 126.76 2hg1 s HIS 146 Ca -0.12 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 2hg1 s HIS 146 Cb -0.16 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.84 2hg1 s HIS 146 CO 0.05 -0.17 -0.06 0.08 -0.85 0.00 0.00 174.74 173.79 2hg1 s VAL 147 N 0.07 1.69 -0.10 -0.90 1.01 0.23 -1.51 120.40 120.88 2hg1 s VAL 147 Ca -0.07 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.58 2hg1 s VAL 147 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2hg1 s VAL 147 CO 0.05 -0.11 -0.20 -0.89 0.00 0.00 0.00 175.10 173.95 2hg1 s THR 148 N 1.31 2.45 0.20 3.92 2.01 -0.03 -0.26 115.64 125.24 2hg1 s THR 148 Ca -0.06 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.16 2hg1 s THR 148 Cb -0.19 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2hg1 s THR 148 CO -0.06 0.55 -0.21 1.51 -0.69 0.00 0.00 174.62 175.72 2hg1 s ASP 149 N 0.25 3.16 -0.58 3.53 1.47 -0.26 0.25 116.67 124.50 2hg1 s ASP 149 Ca -0.13 -0.91 0.01 0.00 1.18 0.00 0.00 52.55 52.70 2hg1 s ASP 149 Cb -0.17 -0.22 0.43 0.00 -0.34 0.00 0.00 42.92 42.62 2hg1 s ASP 149 CO 0.07 0.04 1.67 0.35 0.68 0.00 0.00 175.17 177.97 2hg1 n THR 150 N 0.07 3.14 -0.27 2.11 -2.24 -0.94 -1.29 114.28 114.85 2hg1 n THR 150 Ca -0.11 -3.90 0.00 0.00 -2.27 0.00 0.00 64.05 57.77 2hg1 n THR 150 Cb 0.57 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2hg1 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg1 n GLY 151 N -0.71 0.01 0.31 3.38 0.00 -1.26 -4.70 105.19 102.22 2hg1 n GLY 151 Ca 0.52 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 45.06 2hg1 n GLY 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2hg1 h VAL 152 N 0.00 0.28 -0.64 1.61 3.04 -1.57 -3.18 116.25 115.79 2hg1 h VAL 152 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2hg1 h VAL 152 Cb 0.00 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2hg1 h VAL 152 CO 0.00 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.19 2hg1 n GLY 153 N -0.98 -1.67 3.09 3.17 0.00 -1.26 -4.33 105.19 103.22 2hg1 n GLY 153 Ca -0.02 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2hg1 n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hg1 s MET 154 N 0.00 0.25 0.99 1.61 -1.94 -1.26 -4.83 119.30 114.11 2hg1 s MET 154 Ca 0.00 0.44 -0.14 0.00 -1.71 0.00 0.00 55.69 54.28 2hg1 s MET 154 Cb 0.00 0.01 0.18 0.00 2.01 0.00 0.00 34.83 37.03 2hg1 s MET 154 CO 0.00 -0.10 1.13 0.95 -0.01 0.00 0.00 175.02 177.00 2hg1 s THR 155 N 0.69 1.94 0.21 2.05 -4.23 -1.26 -4.00 115.64 111.04 2hg1 s THR 155 Ca -0.05 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 2hg1 s THR 155 Cb -0.06 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.27 2hg1 s THR 155 CO -0.04 0.00 1.86 -0.09 -0.54 0.00 0.00 174.62 175.81 2hg1 h ARG 156 N -1.79 0.88 -0.82 3.99 2.43 -1.94 -1.34 114.38 115.79 2hg1 h ARG 156 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2hg1 h ARG 156 Cb 1.32 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 2hg1 h ARG 156 CO 0.55 0.58 0.52 0.93 -1.51 0.00 0.00 179.97 181.04 2hg1 h GLU 157 N 0.91 1.10 -0.09 0.20 3.07 -2.00 -2.66 114.58 115.09 2hg1 h GLU 157 Ca 0.28 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 2hg1 h GLU 157 Cb -0.01 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 2hg1 h GLU 157 CO -0.10 0.75 -0.47 0.93 -1.40 0.00 0.00 179.01 178.72 2hg1 h GLU 158 N 1.12 0.24 -0.49 2.33 5.08 -1.72 -1.75 114.58 119.38 2hg1 h GLU 158 Ca 0.30 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2hg1 h GLU 158 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2hg1 h GLU 158 CO -0.06 0.66 0.26 -0.07 -1.00 0.00 0.00 179.01 178.80 2hg1 h LEU 159 N 0.19 0.62 0.23 1.33 3.38 -0.94 0.26 115.31 120.38 2hg1 h LEU 159 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2hg1 h LEU 159 Cb 0.91 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2hg1 h LEU 159 CO 0.07 0.55 -0.11 0.58 0.09 0.00 0.00 178.44 179.62 2hg1 h VAL 160 N 0.65 0.83 0.22 1.22 2.07 -1.32 -2.87 116.25 117.05 2hg1 h VAL 160 Ca 0.17 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2hg1 h VAL 160 Cb 0.07 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2hg1 h VAL 160 CO -0.03 0.09 -0.11 0.50 0.02 0.00 0.00 177.57 178.05 2hg1 h LYS 161 N -0.51 -0.29 -0.51 1.57 3.64 -1.27 -0.14 116.57 119.06 2hg1 h LYS 161 Ca -0.03 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2hg1 h LYS 161 Cb 0.38 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2hg1 h LYS 161 CO 0.05 0.09 0.21 -0.91 -2.27 0.00 0.00 179.45 176.63 2hg1 h ASN 162 N -0.86 0.65 0.19 4.20 4.21 -0.64 -2.15 115.58 121.19 2hg1 h ASN 162 Ca -0.03 -0.07 -0.24 0.00 1.21 0.00 0.00 56.30 57.16 2hg1 h ASN 162 Cb 0.51 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.50 2hg1 h ASN 162 CO 0.05 0.58 -2.04 0.18 -1.29 0.00 0.00 177.43 174.91 2hg1 n LEU 163 N -4.35 0.26 -0.59 1.61 4.77 -1.08 -4.53 117.00 113.09 2hg1 n LEU 163 Ca 0.04 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2hg1 n LEU 163 Cb 0.15 0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2hg1 n LEU 163 CO 0.38 0.31 0.47 0.61 -1.33 0.00 0.00 177.39 177.83 2hg1 n GLY 164 N 1.56 0.21 3.41 -0.72 0.00 -0.07 -5.00 105.19 104.58 2hg1 n GLY 164 Ca -0.21 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 2hg1 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg1 s THR 165 N -2.33 0.00 0.00 2.61 -4.23 -0.81 -2.04 115.64 108.84 2hg1 s THR 165 Ca 0.23 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2hg1 s THR 165 Cb 0.19 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2hg1 s THR 165 CO 0.48 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 2hg1 n ILE 166 N -0.57 0.00 0.00 2.99 3.06 -1.26 -4.73 119.36 118.85 2hg1 n ILE 166 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 2hg1 n ILE 166 Cb 0.62 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 2hg1 n ILE 166 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2hg1 n GLY 170 N 0.00 0.00 0.17 4.50 0.00 -1.26 -5.01 105.19 103.58 2hg1 n GLY 170 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2hg1 n GLY 170 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hg1 h THR 171 N 0.00 1.15 -0.28 2.61 2.02 -2.04 -1.45 112.91 114.93 2hg1 h THR 171 Ca 0.00 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 2hg1 h THR 171 Cb 0.00 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2hg1 h THR 171 CO 0.00 0.16 -0.07 0.77 0.37 0.00 0.00 175.52 176.75 2hg1 h SER 172 N 0.43 0.54 -0.46 4.18 4.64 -2.01 -0.19 113.55 120.69 2hg1 h SER 172 Ca 0.12 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2hg1 h SER 172 Cb 0.09 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2hg1 h SER 172 CO -0.02 0.78 0.24 -0.08 -0.87 0.00 0.00 176.83 176.88 2hg1 h GLU 173 N 0.30 0.46 -0.26 4.77 4.22 -1.98 0.72 114.58 122.81 2hg1 h GLU 173 Ca 0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 2hg1 h GLU 173 Cb 0.54 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2hg1 h GLU 173 CO 0.03 0.30 -0.07 0.35 -2.18 0.00 0.00 179.01 177.44 2hg1 h PHE 174 N 0.47 0.43 -0.25 0.92 3.57 -1.17 0.64 116.94 121.55 2hg1 h PHE 174 Ca 0.20 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2hg1 h PHE 174 Cb 0.09 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2hg1 h PHE 174 CO -0.10 0.48 0.14 -0.07 -2.23 0.00 0.00 178.31 176.54 2hg1 h LEU 175 N 0.39 0.31 0.03 0.59 4.07 0.90 0.05 115.31 121.65 2hg1 h LEU 175 Ca 0.08 -0.07 -0.27 0.00 0.08 0.00 0.00 57.88 57.70 2hg1 h LEU 175 Cb 0.37 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 42.05 2hg1 h LEU 175 CO 0.02 0.29 -1.15 -0.55 -1.08 0.00 0.00 178.44 175.96 2hg1 h ASN 176 N 0.30 0.69 -0.90 -0.43 -0.00 -0.54 -3.08 115.58 111.61 2hg1 h ASN 176 Ca 0.09 -0.62 -0.00 0.00 -0.00 0.00 0.00 56.30 55.76 2hg1 h ASN 176 Cb 0.04 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.10 2hg1 h ASN 176 CO -0.02 1.44 0.55 0.07 -0.00 0.00 0.00 177.43 179.47 2hg1 h LYS 177 N 0.23 1.23 0.02 4.14 2.10 0.39 -1.49 116.57 123.18 2hg1 h LYS 177 Ca -0.14 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2hg1 h LYS 177 Cb 1.82 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 2hg1 h LYS 177 CO 0.21 0.86 -0.01 0.52 -2.00 0.00 0.00 179.45 179.03 2hg1 h MET 178 N 1.24 -0.03 -0.62 0.07 2.86 -1.05 0.48 114.93 117.88 2hg1 h MET 178 Ca 0.32 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.03 2hg1 h MET 178 Cb -0.05 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 2hg1 h MET 178 CO -0.06 0.24 0.31 1.15 1.06 0.00 0.00 176.91 179.61 2hg1 h THR 179 N -0.30 0.91 -0.02 2.22 2.02 -1.43 -0.53 112.91 115.80 2hg1 h THR 179 Ca -0.00 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 2hg1 h THR 179 Cb 0.28 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2hg1 h THR 179 CO 0.01 0.11 -0.43 -0.33 0.37 0.00 0.00 175.52 175.24 2hg1 h GLU 180 N 0.58 0.04 0.00 6.66 3.07 -1.21 -0.65 114.58 123.07 2hg1 h GLU 180 Ca 0.29 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2hg1 h GLU 180 Cb 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2hg1 h GLU 180 CO -0.21 0.47 0.00 0.00 -1.40 0.00 0.00 179.01 177.87 2hg1 n ALA 181 N -2.46 2.44 -0.03 3.43 0.00 0.15 -3.27 120.51 120.76 2hg1 n ALA 181 Ca -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2hg1 n ALA 181 Cb 0.46 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2hg1 n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg1 n GLN 182 N -1.13 2.05 -0.35 0.00 0.00 -0.74 -1.36 117.38 115.85 2hg1 n GLN 182 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 57.00 57.12 2hg1 n GLN 182 Cb 0.15 -1.15 0.05 0.00 0.00 0.00 0.00 30.24 29.29 2hg1 n GLN 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2hg1 n GLU 183 N -2.39 1.39 0.00 2.61 4.71 -0.30 -5.07 120.64 121.58 2hg1 n GLU 183 Ca -0.11 -0.87 0.00 0.00 -0.01 0.00 0.00 57.16 56.17 2hg1 n GLU 183 Cb 0.68 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 2hg1 n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hg1 n GLN 186 N 0.03 0.00 -3.22 3.49 10.64 -0.46 -4.83 117.38 123.03 2hg1 n GLN 186 Ca 0.17 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.95 2hg1 n GLN 186 Cb 0.83 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 30.15 2hg1 n GLN 186 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2hg1 s SER 187 N -1.07 6.91 0.00 2.61 0.15 -1.26 -4.96 113.70 116.08 2hg1 s SER 187 Ca 0.00 1.08 0.14 0.00 0.70 0.00 0.00 55.95 57.87 2hg1 s SER 187 Cb 0.00 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2hg1 s SER 187 CO 0.00 0.06 0.71 0.35 1.20 0.00 0.00 173.24 175.55 2hg1 n THR 188 N 3.04 0.00 -0.33 6.45 -2.24 -1.26 -4.60 114.28 115.34 2hg1 n THR 188 Ca -0.06 -0.31 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2hg1 n THR 188 Cb 0.51 1.11 0.27 0.00 -2.10 0.00 0.00 70.33 70.13 2hg1 n THR 188 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2hg1 h SER 189 N 1.08 0.65 -0.20 3.42 4.64 -1.95 -1.09 113.55 120.09 2hg1 h SER 189 Ca 0.00 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2hg1 h SER 189 Cb 0.42 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2hg1 h SER 189 CO 0.00 0.24 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.70 2hg1 h GLU 190 N 0.69 0.48 0.19 4.77 5.08 -1.99 -2.18 114.58 121.61 2hg1 h GLU 190 Ca 0.52 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2hg1 h GLU 190 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2hg1 h GLU 190 CO -0.38 0.81 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.26 2hg1 h LEU 191 N 0.15 -0.27 -0.74 1.33 3.38 -1.69 0.29 115.31 117.77 2hg1 h LEU 191 Ca 0.04 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2hg1 h LEU 191 Cb 0.71 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2hg1 h LEU 191 CO 0.04 -0.18 0.38 0.40 0.09 0.00 0.00 178.44 179.17 2hg1 h ILE 192 N -0.28 0.85 -0.44 1.22 2.04 -1.29 0.22 117.51 119.83 2hg1 h ILE 192 Ca -0.02 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 2hg1 h ILE 192 Cb 0.23 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2hg1 h ILE 192 CO 0.03 0.12 -0.14 1.23 0.00 0.00 0.00 178.15 179.38 2hg1 h GLY 193 N 0.64 0.89 0.87 5.37 0.00 -0.95 -1.99 103.07 107.89 2hg1 h GLY 193 Ca 0.36 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2hg1 h GLY 193 CO -0.27 0.64 -0.29 1.46 0.00 0.00 0.00 176.54 178.08 2hg1 h GLN 194 N 0.73 0.55 0.00 4.80 4.20 0.78 -3.09 115.11 123.09 2hg1 h GLN 194 Ca 0.12 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2hg1 h GLN 194 Cb 0.64 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2hg1 h GLN 194 CO 0.04 0.93 0.00 0.34 -0.67 0.00 0.00 178.83 179.47 2hg1 n PHE 195 N -4.35 0.00 -3.25 2.96 7.35 0.67 -4.94 117.46 115.90 2hg1 n PHE 195 Ca -0.06 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.43 2hg1 n PHE 195 Cb 0.47 -0.18 0.05 0.00 0.35 0.00 0.00 39.48 40.18 2hg1 n PHE 195 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hg1 n GLY 196 N 1.07 -0.33 0.48 7.13 0.00 -0.78 -4.93 105.19 107.84 2hg1 n GLY 196 Ca 0.17 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2hg1 n GLY 196 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hg1 n VAL 197 N -4.53 2.12 0.28 1.61 0.24 -1.03 -4.72 118.33 112.28 2hg1 n VAL 197 Ca -0.03 -2.40 0.13 0.00 -2.04 0.00 0.00 64.34 60.00 2hg1 n VAL 197 Cb 0.57 -0.25 0.62 0.00 -1.47 0.00 0.00 33.84 33.31 2hg1 n VAL 197 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2hg1 h GLY 198 N 0.70 0.00 -0.22 7.63 0.00 -1.91 -3.17 103.07 106.10 2hg1 h GLY 198 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.51 2hg1 h GLY 198 CO 0.10 0.00 0.01 -2.75 0.00 0.00 0.00 176.54 173.90 2hg1 h PHE 199 N 0.00 -0.03 0.00 5.60 3.57 -1.85 0.56 116.94 124.79 2hg1 h PHE 199 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2hg1 h PHE 199 Cb 0.18 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2hg1 h PHE 199 CO 0.00 -0.20 -0.01 1.88 -2.23 0.00 0.00 178.31 177.75 2hg1 h TYR 200 N 0.12 0.00 0.00 0.41 0.05 -1.97 -1.92 116.97 113.66 2hg1 h TYR 200 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 2hg1 h TYR 200 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2hg1 h TYR 200 CO -0.39 0.01 0.00 -1.13 -1.05 0.00 0.00 178.16 175.60 2hg1 n SER 201 N -3.71 0.34 0.25 3.88 3.41 0.19 -0.54 113.62 117.44 2hg1 n SER 201 Ca -0.03 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2hg1 n SER 201 Cb 0.09 -0.70 0.66 0.00 -0.26 0.00 0.00 64.21 64.00 2hg1 n SER 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hg1 h ALA 202 N 2.01 1.23 0.00 7.33 0.00 -1.48 -1.75 119.26 126.60 2hg1 h ALA 202 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hg1 h ALA 202 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2hg1 h ALA 202 CO 0.00 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.63 2hg1 n PHE 203 N -3.60 0.32 0.17 0.00 3.72 0.30 -1.28 117.46 117.08 2hg1 n PHE 203 Ca -0.01 0.13 0.03 0.00 -0.05 0.00 0.00 57.45 57.54 2hg1 n PHE 203 Cb 0.28 -0.71 0.31 0.00 -0.94 0.00 0.00 39.48 38.43 2hg1 n PHE 203 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2hg1 h LEU 204 N 0.00 0.00 -0.46 4.37 3.38 -1.50 -3.28 115.31 117.83 2hg1 h LEU 204 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hg1 h LEU 204 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2hg1 h LEU 204 CO 0.00 0.44 -0.07 1.33 0.09 0.00 0.00 178.44 180.23 2hg1 n VAL 205 N -3.84 0.00 -4.67 1.22 0.24 -0.92 -5.03 118.33 105.34 2hg1 n VAL 205 Ca -0.01 -0.46 -0.24 0.00 -2.04 0.00 0.00 64.34 61.58 2hg1 n VAL 205 Cb 0.49 1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 33.74 2hg1 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hg1 s ALA 206 N -0.84 1.51 0.04 2.33 0.00 -0.41 -1.39 121.76 123.00 2hg1 s ALA 206 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2hg1 s ALA 206 Cb 0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 23.12 22.58 2hg1 s ALA 206 CO 0.08 0.34 1.00 -0.44 0.00 0.00 0.00 175.76 176.74 2hg1 h ASP 207 N 5.24 0.14 -3.73 0.00 3.45 -1.48 -3.41 116.42 116.63 2hg1 h ASP 207 Ca -0.39 -0.19 -0.31 0.00 0.43 0.00 0.00 57.03 56.57 2hg1 h ASP 207 Cb 1.16 -0.05 -0.30 0.00 -0.56 0.00 0.00 39.33 39.58 2hg1 h ASP 207 CO 0.46 1.15 -0.74 -0.54 -1.57 0.00 0.00 179.24 178.00 2hg1 s LYS 208 N -2.65 0.29 -0.12 3.56 1.02 -1.23 -4.46 119.74 116.15 2hg1 s LYS 208 Ca -0.04 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.91 2hg1 s LYS 208 Cb 0.08 -0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.04 2hg1 s LYS 208 CO 0.83 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 175.18 2hg1 s VAL 209 N 0.28 2.73 -0.05 3.17 1.01 -0.28 -1.11 120.40 126.15 2hg1 s VAL 209 Ca -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2hg1 s VAL 209 Cb -0.05 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2hg1 s VAL 209 CO -0.01 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.81 2hg1 s ILE 210 N 0.32 1.59 -0.23 2.22 1.01 0.51 -1.47 121.20 125.15 2hg1 s ILE 210 Ca -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2hg1 s ILE 210 Cb -0.16 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 40.99 2hg1 s ILE 210 CO 0.07 0.45 -0.09 -0.69 0.00 0.00 0.00 174.94 174.68 2hg1 s VAL 211 N 0.09 1.80 -0.24 2.92 1.01 0.86 0.69 120.40 127.54 2hg1 s VAL 211 Ca -0.06 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.54 2hg1 s VAL 211 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2hg1 s VAL 211 CO 0.03 0.03 0.13 -0.89 0.00 0.00 0.00 175.10 174.40 2hg1 s THR 212 N 1.29 4.97 0.02 3.92 2.01 -0.09 -0.42 115.64 127.34 2hg1 s THR 212 Ca -0.05 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2hg1 s THR 212 Cb -0.18 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2hg1 s THR 212 CO -0.07 0.34 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.63 2hg1 s SER 213 N 1.25 0.26 -0.10 3.53 0.15 -0.28 0.27 113.70 118.78 2hg1 s SER 213 Ca 0.06 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 2hg1 s SER 213 Cb -0.14 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 2hg1 s SER 213 CO 0.05 -0.24 -0.05 -0.75 1.20 0.00 0.00 173.24 173.45 2hg1 s LYS 214 N -1.22 1.21 0.03 5.44 2.47 0.15 -1.41 119.74 126.41 2hg1 s LYS 214 Ca -0.13 -0.13 0.05 0.00 -1.56 0.00 0.00 55.97 54.20 2hg1 s LYS 214 Cb -0.08 -1.37 -0.03 0.00 -1.46 0.00 0.00 37.83 34.89 2hg1 s LYS 214 CO -0.01 -0.27 -0.10 -1.58 0.16 0.00 0.00 175.35 173.55 2hg1 s HIS 215 N 1.76 2.77 0.52 4.03 5.65 -1.26 -1.23 115.29 127.54 2hg1 s HIS 215 Ca 0.04 -0.12 0.29 0.00 0.25 0.00 0.00 55.06 55.52 2hg1 s HIS 215 Cb -0.13 -1.54 1.42 0.00 -1.18 0.00 0.00 32.58 31.16 2hg1 s HIS 215 CO -0.07 0.35 1.91 -0.91 -0.65 0.00 0.00 174.74 175.37 2hg1 h ASN 216 N 4.35 0.04 -0.40 9.88 2.35 -1.92 -0.89 115.58 129.00 2hg1 h ASN 216 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2hg1 h ASN 216 Cb 1.16 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2hg1 h ASN 216 CO 0.52 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.90 2hg1 n ASN 217 N -4.32 3.16 -3.46 5.81 3.02 -1.26 -4.96 115.26 113.25 2hg1 n ASN 217 Ca 0.16 -2.29 -0.08 0.00 -0.03 0.00 0.00 54.58 52.34 2hg1 n ASN 217 Cb 0.85 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 2hg1 n ASN 217 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hg1 s ASP 218 N -0.73 -0.09 0.46 6.41 -1.08 -0.34 -5.03 116.67 116.27 2hg1 s ASP 218 Ca 0.32 -0.89 -0.05 0.00 -0.52 0.00 0.00 52.55 51.41 2hg1 s ASP 218 Cb 0.21 0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 42.40 2hg1 s ASP 218 CO 0.15 -1.47 0.76 0.42 0.52 0.00 0.00 175.17 175.55 2hg1 s THR 219 N -3.23 4.93 0.33 1.71 -4.23 -1.26 -4.30 115.64 109.59 2hg1 s THR 219 Ca 0.15 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 2hg1 s THR 219 Cb -0.05 -3.86 -0.12 0.00 1.34 0.00 0.00 72.50 69.81 2hg1 s THR 219 CO 0.10 -0.81 1.44 1.67 -0.54 0.00 0.00 174.62 176.48 2hg1 n GLN 220 N -2.17 2.45 -4.17 3.99 7.27 -1.26 -4.71 117.38 118.79 2hg1 n GLN 220 Ca 0.00 0.86 -0.10 0.00 0.07 0.00 0.00 57.00 57.83 2hg1 n GLN 220 Cb 0.55 -2.55 -0.10 0.00 2.41 0.00 0.00 30.24 30.55 2hg1 n GLN 220 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2hg1 s HIS 221 N -0.76 0.87 -0.11 3.69 3.76 -0.50 -1.55 115.29 120.69 2hg1 s HIS 221 Ca 0.58 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2hg1 s HIS 221 Cb -0.53 -0.51 0.02 0.00 1.11 0.00 0.00 32.58 32.67 2hg1 s HIS 221 CO 0.59 -0.19 -0.15 0.42 -0.85 0.00 0.00 174.74 174.56 2hg1 s ILE 222 N -3.67 1.46 -0.10 0.60 1.01 0.88 -1.13 121.20 120.26 2hg1 s ILE 222 Ca 0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2hg1 s ILE 222 Cb 0.06 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2hg1 s ILE 222 CO -0.05 0.43 -0.01 0.86 0.00 0.00 0.00 174.94 176.18 2hg1 s TRP 223 N 1.03 3.11 -0.02 3.97 -0.00 0.44 -0.82 118.94 126.65 2hg1 s TRP 223 Ca -0.06 0.10 -0.05 0.00 -0.00 0.00 0.00 56.10 56.09 2hg1 s TRP 223 Cb -0.15 -1.81 0.01 0.00 -0.00 0.00 0.00 33.47 31.52 2hg1 s TRP 223 CO -0.02 0.37 0.11 -1.83 -0.00 0.00 0.00 176.95 175.58 2hg1 s GLU 224 N -0.66 0.26 -0.12 5.86 4.04 -0.32 -0.09 118.70 127.65 2hg1 s GLU 224 Ca 0.10 -0.08 -0.27 0.00 0.04 0.00 0.00 54.97 54.76 2hg1 s GLU 224 Cb -0.12 0.11 0.07 0.00 0.02 0.00 0.00 34.13 34.21 2hg1 s GLU 224 CO 0.02 -0.05 0.66 0.45 -1.84 0.00 0.00 175.26 174.50 2hg1 s SER 225 N -0.52 -0.65 0.00 0.83 0.15 -0.54 -1.55 113.70 111.42 2hg1 s SER 225 Ca -0.06 0.93 0.12 0.00 0.70 0.00 0.00 55.95 57.64 2hg1 s SER 225 Cb -0.04 0.85 0.34 0.00 -1.71 0.00 0.00 66.02 65.46 2hg1 s SER 225 CO 0.00 -0.46 1.28 -0.90 1.20 0.00 0.00 173.24 174.36 2hg1 n ASP 226 N 1.60 3.04 0.00 5.45 3.85 -1.24 -1.12 116.55 128.12 2hg1 n ASP 226 Ca -0.17 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 2hg1 n ASP 226 Cb 0.56 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 2hg1 n ASP 226 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2hg1 n SER 227 N 0.67 0.00 -0.51 -1.12 3.41 -1.26 -4.84 113.62 109.96 2hg1 n SER 227 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 2hg1 n SER 227 Cb 0.45 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.58 2hg1 n SER 227 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hg1 n ASN 228 N 0.00 1.87 0.00 4.04 3.02 -1.26 -4.99 115.26 117.95 2hg1 n ASN 228 Ca 0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 2hg1 n ASN 228 Cb 0.00 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2hg1 n ASN 228 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2hg1 n GLU 229 N 0.08 -1.86 -3.86 3.52 0.28 -1.26 -4.88 120.64 112.65 2hg1 n GLU 229 Ca 0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.03 2hg1 n GLU 229 Cb 0.45 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.27 2hg1 n GLU 229 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2hg1 s PHE 230 N -2.00 0.14 0.03 -1.84 -0.12 -0.93 -3.63 117.98 109.63 2hg1 s PHE 230 Ca 0.00 -0.50 -0.14 0.00 -0.05 0.00 0.00 56.93 56.24 2hg1 s PHE 230 Cb 0.00 0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2hg1 s PHE 230 CO 0.00 -0.85 0.31 -1.54 -0.05 0.00 0.00 175.22 173.09 2hg1 s SER 231 N -2.93 -0.15 -0.05 1.98 1.04 -0.59 -0.56 113.70 112.44 2hg1 s SER 231 Ca 0.14 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.49 2hg1 s SER 231 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2hg1 s SER 231 CO -0.00 -0.58 -0.16 -0.69 0.98 0.00 0.00 173.24 172.79 2hg1 s VAL 232 N -2.25 1.37 0.02 5.02 1.01 -0.57 -1.18 120.40 123.82 2hg1 s VAL 232 Ca -0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2hg1 s VAL 232 Cb -0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2hg1 s VAL 232 CO -0.01 0.40 -0.02 0.27 0.00 0.00 0.00 175.10 175.74 2hg1 s ILE 233 N 0.22 0.10 0.31 2.22 -4.36 0.00 -4.67 121.20 115.01 2hg1 s ILE 233 Ca -0.07 -0.81 -0.29 0.00 -0.26 0.00 0.00 60.65 59.21 2hg1 s ILE 233 Cb -0.13 -0.25 -0.11 0.00 1.25 0.00 0.00 42.46 43.23 2hg1 s ILE 233 CO 0.03 -0.45 1.48 0.00 0.24 0.00 0.00 174.94 176.24 2hg1 s ALA 234 N -1.32 3.63 -0.39 2.27 0.00 -1.26 -0.08 121.76 124.61 2hg1 s ALA 234 Ca -0.14 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2hg1 s ALA 234 Cb -0.09 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2hg1 s ALA 234 CO -0.01 -0.88 1.44 0.34 0.00 0.00 0.00 175.76 176.65 2hg1 s ASP 235 N 0.14 6.34 0.38 0.00 -1.08 -0.59 -4.75 116.67 117.11 2hg1 s ASP 235 Ca 0.57 0.94 0.26 0.00 -0.52 0.00 0.00 52.55 53.80 2hg1 s ASP 235 Cb -0.45 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 39.84 2hg1 s ASP 235 CO 0.51 -1.41 1.80 1.55 0.52 0.00 0.00 175.17 178.15 2hg1 h PRO 236 N 10.70 0.00 0.00 4.34 0.13 -1.90 -1.30 132.00 143.97 2hg1 h PRO 236 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2hg1 h PRO 236 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2hg1 h PRO 236 CO 1.07 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.38 2hg1 n ARG 237 N -2.43 0.18 0.00 0.86 1.74 -1.26 -5.02 116.66 110.73 2hg1 n ARG 237 Ca -0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2hg1 n ARG 237 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2hg1 n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hg1 n GLY 238 N 1.20 -1.87 3.56 -0.13 0.00 -0.49 -4.58 105.19 102.89 2hg1 n GLY 238 Ca 0.09 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2hg1 n GLY 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hg1 s ASN 239 N -4.00 6.73 0.05 1.61 2.47 -1.26 -4.70 114.94 115.84 2hg1 s ASN 239 Ca 0.00 -2.12 0.19 0.00 0.42 0.00 0.00 52.86 51.35 2hg1 s ASN 239 Cb 0.00 -2.56 -0.15 0.00 -1.45 0.00 0.00 41.25 37.09 2hg1 s ASN 239 CO 0.00 -1.26 0.75 0.35 -3.72 0.00 0.00 177.10 173.22 2hg1 n THR 240 N 6.45 0.92 0.32 -5.21 -2.24 -1.26 -4.16 114.28 109.10 2hg1 n THR 240 Ca 0.42 -0.65 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2hg1 n THR 240 Cb 0.48 -0.53 0.21 0.00 -2.10 0.00 0.00 70.33 68.39 2hg1 n THR 240 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hg1 h LEU 241 N 0.00 0.00 0.00 3.22 3.38 -1.97 -3.47 115.31 116.48 2hg1 h LEU 241 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hg1 h LEU 241 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2hg1 h LEU 241 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2hg1 n GLY 242 N 1.16 1.32 3.64 0.83 0.00 -1.26 -4.57 105.19 106.31 2hg1 n GLY 242 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2hg1 n GLY 242 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hg1 s ARG 243 N 0.00 0.33 0.00 1.61 3.52 -1.25 -4.58 118.95 118.58 2hg1 s ARG 243 Ca 0.00 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2hg1 s ARG 243 Cb 0.00 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2hg1 s ARG 243 CO 0.00 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2hg1 n GLY 244 N 2.28 0.61 3.26 8.12 0.00 -0.37 -4.46 105.19 114.63 2hg1 n GLY 244 Ca -0.13 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 2hg1 n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hg1 s THR 245 N -1.32 0.01 -0.16 2.61 2.01 -0.41 -0.68 115.64 117.70 2hg1 s THR 245 Ca 0.00 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.93 2hg1 s THR 245 Cb 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.98 2hg1 s THR 245 CO 0.00 -0.05 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.79 2hg1 s THR 246 N -0.09 2.04 -0.34 -0.82 2.01 0.14 -1.10 115.64 117.47 2hg1 s THR 246 Ca -0.03 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2hg1 s THR 246 Cb -0.03 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2hg1 s THR 246 CO 0.01 0.54 0.35 -0.63 -0.69 0.00 0.00 174.62 174.20 2hg1 s ILE 247 N 1.07 5.18 -0.20 1.82 -1.09 0.64 -0.91 121.20 127.72 2hg1 s ILE 247 Ca -0.01 -0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.37 2hg1 s ILE 247 Cb -0.14 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2hg1 s ILE 247 CO -0.08 -0.09 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.61 2hg1 s THR 248 N 1.98 3.53 -0.17 2.92 2.01 0.22 -0.60 115.64 125.52 2hg1 s THR 248 Ca 0.11 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2hg1 s THR 248 Cb -0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2hg1 s THR 248 CO 0.11 0.44 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.70 2hg1 s LEU 249 N 1.14 3.27 -0.58 4.42 1.43 0.50 -0.36 118.68 128.50 2hg1 s LEU 249 Ca 0.02 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2hg1 s LEU 249 Cb -0.15 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.37 2hg1 s LEU 249 CO -0.00 0.14 0.71 -0.69 0.23 0.00 0.00 176.35 176.74 2hg1 s VAL 250 N 0.52 4.79 0.25 -1.59 1.01 -0.26 -1.62 120.40 123.50 2hg1 s VAL 250 Ca -0.02 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2hg1 s VAL 250 Cb -0.14 -4.47 -0.10 0.00 0.00 0.00 0.00 36.38 31.67 2hg1 s VAL 250 CO 0.02 -1.09 1.39 -0.76 0.00 0.00 0.00 175.10 174.67 2hg1 s LEU 251 N 2.79 4.40 0.73 3.92 1.43 -1.03 -1.28 118.68 129.64 2hg1 s LEU 251 Ca 0.13 2.61 -0.15 0.00 -1.03 0.00 0.00 54.13 55.69 2hg1 s LEU 251 Cb -0.22 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.41 2hg1 s LEU 251 CO 0.08 -0.63 1.21 -0.54 0.23 0.00 0.00 176.35 176.70 2hg1 s LYS 252 N -0.58 2.10 0.23 1.70 1.02 -0.48 -4.76 119.74 118.97 2hg1 s LYS 252 Ca 0.57 1.79 -0.06 0.00 0.02 0.00 0.00 55.97 58.29 2hg1 s LYS 252 Cb -0.40 -1.83 0.41 0.00 -0.52 0.00 0.00 37.83 35.50 2hg1 s LYS 252 CO 0.44 -1.87 1.71 1.49 -0.92 0.00 0.00 175.35 176.19 2hg1 h GLU 253 N -0.31 0.32 0.00 1.68 4.81 -1.94 -0.03 114.58 119.10 2hg1 h GLU 253 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2hg1 h GLU 253 Cb 1.30 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2hg1 h GLU 253 CO 0.49 0.21 0.00 -0.85 -0.73 0.00 0.00 179.01 178.14 2hg1 n GLU 254 N -5.09 0.79 -0.38 1.92 0.00 -1.26 -3.09 120.64 113.53 2hg1 n GLU 254 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.36 2hg1 n GLU 254 Cb 0.41 -1.31 0.22 0.00 0.00 0.00 0.00 31.44 30.76 2hg1 n GLU 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hg1 n ALA 255 N -0.81 2.94 0.30 -1.84 0.00 -0.03 -4.70 120.51 116.38 2hg1 n ALA 255 Ca 0.12 -2.52 0.18 0.00 0.00 0.00 0.00 53.44 51.22 2hg1 n ALA 255 Cb 0.05 -0.61 0.98 0.00 0.00 0.00 0.00 19.45 19.87 2hg1 n ALA 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hg1 h SER 256 N 1.18 0.00 -0.35 0.00 4.64 -1.61 -2.57 113.55 114.83 2hg1 h SER 256 Ca 0.02 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2hg1 h SER 256 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2hg1 h SER 256 CO 0.17 0.02 0.24 -0.78 -0.87 0.00 0.00 176.83 175.62 2hg1 h ASP 257 N 0.00 0.14 0.00 4.97 3.58 -1.89 0.11 116.42 123.33 2hg1 h ASP 257 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg1 h ASP 257 Cb 0.09 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2hg1 h ASP 257 CO 0.00 0.09 0.00 -1.22 -2.88 0.00 0.00 179.24 175.23 2hg1 n TYR 258 N -4.47 0.00 1.00 0.28 4.02 -0.97 -1.08 117.16 115.94 2hg1 n TYR 258 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.04 2hg1 n TYR 258 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 2hg1 n TYR 258 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2hg1 n LEU 259 N -0.78 1.27 -4.71 7.72 4.77 0.39 -4.75 117.00 120.92 2hg1 n LEU 259 Ca 0.08 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 2hg1 n LEU 259 Cb 0.04 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2hg1 n LEU 259 CO 0.06 0.28 0.64 -1.61 -1.33 0.00 0.00 177.39 175.43 2hg1 s GLU 260 N -2.85 4.52 0.19 3.23 0.41 -0.24 -4.69 118.70 119.27 2hg1 s GLU 260 Ca 0.11 1.31 -0.12 0.00 -0.41 0.00 0.00 54.97 55.86 2hg1 s GLU 260 Cb 0.17 -3.47 0.15 0.00 -1.78 0.00 0.00 34.13 29.20 2hg1 s GLU 260 CO 0.78 -0.06 1.82 -0.07 -0.49 0.00 0.00 175.26 177.23 2hg1 h LEU 261 N 6.93 0.53 -0.75 1.80 3.38 -1.91 -1.77 115.31 123.53 2hg1 h LEU 261 Ca -0.40 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2hg1 h LEU 261 Cb 1.21 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2hg1 h LEU 261 CO 0.76 0.37 0.48 -2.24 0.09 0.00 0.00 178.44 177.90 2hg1 h ASP 262 N 0.66 0.79 0.12 -0.43 2.03 -1.94 0.47 116.42 118.12 2hg1 h ASP 262 Ca 0.24 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.53 2hg1 h ASP 262 Cb 0.07 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 2hg1 h ASP 262 CO -0.12 0.55 -0.06 0.74 -1.03 0.00 0.00 179.24 179.31 2hg1 h THR 263 N 0.93 0.95 -0.40 1.15 2.02 -1.74 -1.66 112.91 114.16 2hg1 h THR 263 Ca 0.30 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2hg1 h THR 263 Cb 0.01 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2hg1 h THR 263 CO -0.11 0.07 0.22 0.40 0.37 0.00 0.00 175.52 176.47 2hg1 h ILE 264 N -0.30 1.15 -0.97 3.11 1.08 -1.11 -1.80 117.51 118.68 2hg1 h ILE 264 Ca -0.02 -0.39 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 2hg1 h ILE 264 Cb 0.24 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 2hg1 h ILE 264 CO 0.03 0.16 0.63 0.11 -0.69 0.00 0.00 178.15 178.38 2hg1 h LYS 265 N 0.52 1.14 -0.33 2.37 1.57 -0.86 0.52 116.57 121.50 2hg1 h LYS 265 Ca 0.14 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 2hg1 h LYS 265 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2hg1 h LYS 265 CO -0.02 0.75 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.37 2hg1 h ASN 266 N 1.17 0.76 0.06 0.86 2.35 -0.96 -0.66 115.58 119.17 2hg1 h ASN 266 Ca 0.40 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2hg1 h ASN 266 Cb 0.09 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2hg1 h ASN 266 CO -0.15 1.03 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.56 2hg1 h LEU 267 N 0.61 -0.07 -0.99 1.61 3.38 -0.71 -2.53 115.31 116.61 2hg1 h LEU 267 Ca 0.07 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.58 2hg1 h LEU 267 Cb 0.86 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 2hg1 h LEU 267 CO 0.07 0.53 0.64 0.58 0.09 0.00 0.00 178.44 180.35 2hg1 h VAL 268 N -0.72 1.08 -0.46 1.22 2.07 -0.02 0.16 116.25 119.59 2hg1 h VAL 268 Ca -0.01 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 2hg1 h VAL 268 Cb 0.59 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2hg1 h VAL 268 CO 0.01 0.21 0.06 0.50 0.02 0.00 0.00 177.57 178.38 2hg1 h LYS 269 N 1.16 0.77 -0.47 1.57 3.64 -1.17 0.23 116.57 122.31 2hg1 h LYS 269 Ca 0.43 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2hg1 h LYS 269 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2hg1 h LYS 269 CO -0.18 0.80 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.34 2hg1 h LYS 270 N 0.64 0.97 0.00 1.90 3.64 -0.90 -2.80 116.57 120.02 2hg1 h LYS 270 Ca 0.14 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2hg1 h LYS 270 Cb 0.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2hg1 h LYS 270 CO 0.01 1.09 -0.36 0.66 -2.27 0.00 0.00 179.45 178.59 2hg1 n TYR 271 N -4.10 0.64 0.98 1.91 0.53 0.51 -3.76 117.16 113.87 2hg1 n TYR 271 Ca -0.00 0.19 0.10 0.00 -1.02 0.00 0.00 57.90 57.16 2hg1 n TYR 271 Cb 0.47 -0.73 -0.12 0.00 -1.03 0.00 0.00 39.34 37.92 2hg1 n TYR 271 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2hg1 n SER 272 N -2.11 0.98 -0.39 7.72 7.64 0.81 -4.52 113.62 123.76 2hg1 n SER 272 Ca 0.04 -0.99 0.31 0.00 1.01 0.00 0.00 58.87 59.25 2hg1 n SER 272 Cb 0.43 1.01 0.61 0.00 -1.01 0.00 0.00 64.21 65.25 2hg1 n SER 272 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2hg1 h GLN 273 N 0.00 0.19 -0.17 1.43 4.15 -1.58 -1.16 115.11 117.97 2hg1 h GLN 273 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2hg1 h GLN 273 Cb 0.50 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2hg1 h GLN 273 CO 0.00 0.13 -0.02 1.19 -1.93 0.00 0.00 178.83 178.20 2hg1 n PHE 274 N -4.56 0.60 -3.38 3.99 3.72 -1.26 -4.97 117.46 111.59 2hg1 n PHE 274 Ca 0.31 -1.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.33 2hg1 n PHE 274 Cb 1.20 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 39.41 2hg1 n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2hg1 s ILE 275 N -2.90 5.12 -0.23 4.37 -1.09 -0.44 -4.98 121.20 121.05 2hg1 s ILE 275 Ca 0.39 0.91 0.28 0.00 -2.23 0.00 0.00 60.65 59.99 2hg1 s ILE 275 Cb 0.33 -3.78 0.35 0.00 -1.58 0.00 0.00 42.46 37.78 2hg1 s ILE 275 CO 0.06 0.42 1.80 0.78 -1.23 0.00 0.00 174.94 176.76 2hg1 h ASN 276 N 6.01 0.00 -3.19 3.58 2.35 -1.93 -3.44 115.58 118.96 2hg1 h ASN 276 Ca -0.45 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.73 2hg1 h ASN 276 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 2hg1 h ASN 276 CO 0.71 0.00 -0.28 -0.36 -1.65 0.00 0.00 177.43 175.85 2hg1 s PHE 277 N -3.41 3.47 0.17 1.19 0.08 -1.26 -5.05 117.98 113.16 2hg1 s PHE 277 Ca 0.04 0.59 -0.30 0.00 0.12 0.00 0.00 56.93 57.38 2hg1 s PHE 277 Cb 0.08 -2.03 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 2hg1 s PHE 277 CO 0.58 0.40 1.27 -1.25 -0.10 0.00 0.00 175.22 176.12 2hg1 s PRO 278 N -2.74 4.42 -0.13 0.24 0.04 -1.26 -4.90 135.00 130.67 2hg1 s PRO 278 Ca 0.42 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2hg1 s PRO 278 Cb -0.12 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2hg1 s PRO 278 CO 0.25 -0.21 -0.18 0.42 0.04 0.00 0.00 177.00 177.31 2hg1 s ILE 279 N 0.23 2.56 0.15 0.56 1.01 -1.26 -2.11 121.20 122.34 2hg1 s ILE 279 Ca 0.56 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2hg1 s ILE 279 Cb -0.35 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2hg1 s ILE 279 CO 0.36 0.54 -0.16 -0.31 0.00 0.00 0.00 174.94 175.37 2hg1 s TYR 280 N 0.48 2.54 -0.10 3.97 2.02 0.43 -0.56 117.35 126.12 2hg1 s TYR 280 Ca -0.12 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2hg1 s TYR 280 Cb -0.16 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 2hg1 s TYR 280 CO 0.05 0.46 -0.13 0.08 -1.57 0.00 0.00 175.55 174.44 2hg1 s VAL 281 N -1.46 1.28 -0.57 0.71 1.01 -0.84 -0.04 120.40 120.49 2hg1 s VAL 281 Ca 0.21 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2hg1 s VAL 281 Cb -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2hg1 s VAL 281 CO 0.12 0.40 1.79 0.86 0.00 0.00 0.00 175.10 178.27 2hg1 s TRP 282 N 1.05 1.76 0.29 5.22 -0.11 -0.07 -1.69 118.94 125.39 2hg1 s TRP 282 Ca -0.06 0.71 0.05 0.00 1.22 0.00 0.00 56.10 58.02 2hg1 s TRP 282 Cb -0.15 -4.14 -0.06 0.00 -1.50 0.00 0.00 33.47 27.63 2hg1 s TRP 282 CO -0.01 -2.36 -0.01 -1.54 -4.62 0.00 0.00 176.95 168.40 2hg1 s SER 283 N 7.31 2.48 0.26 5.86 1.04 -0.99 -4.67 113.70 124.98 2hg1 s SER 283 Ca 0.67 -1.26 0.06 0.00 0.48 0.00 0.00 55.95 55.90 2hg1 s SER 283 Cb -0.14 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 2hg1 s SER 283 CO 0.23 -0.46 0.33 -0.94 0.98 0.00 0.00 173.24 173.38 2hg1 s SER 284 N -3.44 6.05 0.00 7.02 1.04 -1.26 -1.98 113.70 121.14 2hg1 s SER 284 Ca 0.32 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2hg1 s SER 284 Cb 0.06 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2hg1 s SER 284 CO 0.12 -0.12 0.00 0.29 0.98 0.00 0.00 173.24 174.51 2hg1 n LYS 285 N -1.39 0.00 -3.47 4.02 5.02 -1.26 -4.99 118.16 116.09 2hg1 n LYS 285 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 2hg1 n LYS 285 Cb 0.57 -0.03 -0.07 0.00 -0.02 0.00 0.00 35.03 35.48 2hg1 n LYS 285 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hg1 s THR 329 N 0.00 4.59 0.01 -0.18 -1.32 -1.26 -4.90 115.64 112.58 2hg1 s THR 329 Ca 0.00 -1.79 0.06 0.00 -1.21 0.00 0.00 61.69 58.75 2hg1 s THR 329 Cb 0.00 -3.98 -0.03 0.00 -1.51 0.00 0.00 72.50 66.98 2hg1 s THR 329 CO 0.00 -0.83 -0.17 0.68 -2.21 0.00 0.00 174.62 172.09 2hg1 s VAL 330 N 1.30 2.85 0.04 5.08 -7.23 -1.26 -5.13 120.40 116.05 2hg1 s VAL 330 Ca 0.06 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2hg1 s VAL 330 Cb -0.26 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2hg1 s VAL 330 CO -0.00 0.42 0.05 0.26 -0.31 0.00 0.00 175.10 175.52 2hg1 s TRP 331 N -0.86 3.17 -0.14 2.82 0.52 -1.26 -4.35 118.94 118.83 2hg1 s TRP 331 Ca 0.14 0.10 -0.34 0.00 0.02 0.00 0.00 56.10 56.02 2hg1 s TRP 331 Cb -0.11 -1.65 0.13 0.00 -1.15 0.00 0.00 33.47 30.69 2hg1 s TRP 331 CO 0.04 0.51 1.25 0.34 0.02 0.00 0.00 176.95 179.11 2hg1 s ASP 332 N -2.01 -0.10 0.34 2.95 2.15 -0.84 -5.02 116.67 114.14 2hg1 s ASP 332 Ca 0.25 -0.05 -0.28 0.00 0.43 0.00 0.00 52.55 52.90 2hg1 s ASP 332 Cb -0.12 0.14 -0.10 0.00 -0.30 0.00 0.00 42.92 42.54 2hg1 s ASP 332 CO 0.17 -0.24 1.29 0.26 -0.17 0.00 0.00 175.17 176.48 2hg1 s TRP 333 N -2.40 3.05 -0.14 -5.34 0.52 -1.26 -2.35 118.94 111.02 2hg1 s TRP 333 Ca 0.11 1.43 0.02 0.00 0.02 0.00 0.00 56.10 57.68 2hg1 s TRP 333 Cb 0.01 -3.65 0.01 0.00 -1.15 0.00 0.00 33.47 28.69 2hg1 s TRP 333 CO -0.04 -1.80 -0.20 -2.00 0.02 0.00 0.00 176.95 172.93 2hg1 s GLU 334 N -1.83 2.79 0.19 4.98 2.12 -0.68 -4.91 118.70 121.35 2hg1 s GLU 334 Ca 0.50 -0.77 -0.31 0.00 0.36 0.00 0.00 54.97 54.76 2hg1 s GLU 334 Cb -0.39 -2.32 -0.09 0.00 0.26 0.00 0.00 34.13 31.59 2hg1 s GLU 334 CO 0.52 -0.08 1.41 -1.17 -0.54 0.00 0.00 175.26 175.39 2hg1 s LEU 335 N 1.00 4.39 -0.00 2.70 2.96 -1.26 -1.99 118.68 126.47 2hg1 s LEU 335 Ca -0.04 2.50 0.11 0.00 -0.22 0.00 0.00 54.13 56.48 2hg1 s LEU 335 Cb -0.15 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.80 2hg1 s LEU 335 CO -0.05 -0.65 0.43 0.23 -1.32 0.00 0.00 176.35 174.99 2hg1 n MET 336 N 3.05 2.55 0.00 1.98 2.81 0.27 -4.97 117.12 122.81 2hg1 n MET 336 Ca 0.09 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2hg1 n MET 336 Cb 0.41 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 2hg1 n MET 336 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75