#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih1 n LYS 7 N 0.00 1.85 -0.75 1.20 5.02 -1.26 -5.12 118.16 119.10 3ih1 n LYS 7 Ca 0.00 -3.55 -0.33 0.00 -2.02 0.00 0.00 58.31 52.41 3ih1 n LYS 7 Cb 0.00 -1.63 0.14 0.00 -0.02 0.00 0.00 35.03 33.52 3ih1 n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ih1 n GLN 8 N -0.54 -0.99 -3.07 1.97 10.64 -1.26 -5.03 117.38 119.11 3ih1 n GLN 8 Ca 0.11 -0.26 -0.18 0.00 -1.83 0.00 0.00 57.00 54.83 3ih1 n GLN 8 Cb 0.82 -1.68 0.02 0.00 -0.86 0.00 0.00 30.24 28.54 3ih1 n GLN 8 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3ih1 s SER 9 N -1.81 5.45 0.32 2.61 0.01 -1.26 -5.13 113.70 113.90 3ih1 s SER 9 Ca 0.54 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 3ih1 s SER 9 Cb -0.14 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 3ih1 s SER 9 CO 0.67 -0.92 0.57 0.28 0.41 0.00 0.00 173.24 174.26 3ih1 s THR 10 N -2.45 5.04 0.20 1.44 -1.32 -1.26 -4.96 115.64 112.33 3ih1 s THR 10 Ca 0.56 -0.09 -0.10 0.00 -1.21 0.00 0.00 61.69 60.85 3ih1 s THR 10 Cb -0.08 -3.78 0.12 0.00 -1.51 0.00 0.00 72.50 67.25 3ih1 s THR 10 CO 0.34 -0.44 1.77 -0.61 -2.21 0.00 0.00 174.62 173.47 3ih1 h GLN 11 N 1.26 0.48 0.00 7.08 -0.00 -1.89 0.14 115.11 122.18 3ih1 h GLN 11 Ca -0.48 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.07 3ih1 h GLN 11 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.56 3ih1 h GLN 11 CO 0.64 0.32 -0.32 1.49 0.00 0.00 0.00 178.83 180.96 3ih1 h GLU 12 N 0.49 0.00 -0.36 1.69 4.81 -1.93 0.14 114.58 119.42 3ih1 h GLU 12 Ca 0.28 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3ih1 h GLU 12 Cb 0.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3ih1 h GLU 12 CO -0.24 0.32 -0.29 0.93 -0.73 0.00 0.00 179.01 179.01 3ih1 h GLU 13 N 0.00 0.78 -0.23 1.92 5.08 -1.61 -2.88 114.58 117.64 3ih1 h GLU 13 Ca -0.00 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 3ih1 h GLU 13 Cb 0.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ih1 h GLU 13 CO 0.04 0.97 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.59 3ih1 h LEU 14 N 0.66 0.72 -0.52 1.33 3.38 0.13 -1.10 115.31 119.92 3ih1 h LEU 14 Ca 0.08 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3ih1 h LEU 14 Cb 0.82 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ih1 h LEU 14 CO 0.07 1.10 0.30 0.00 0.09 0.00 0.00 178.44 180.00 3ih1 h ALA 15 N 0.64 0.66 -0.27 1.53 0.00 -0.89 -0.34 119.26 120.60 3ih1 h ALA 15 Ca 0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3ih1 h ALA 15 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ih1 h ALA 15 CO 0.08 0.16 -0.39 -0.91 0.00 0.00 0.00 179.25 178.19 3ih1 h ASN 16 N 0.69 0.66 -0.67 0.00 -0.26 -1.49 -0.24 115.58 114.28 3ih1 h ASN 16 Ca 0.18 -0.29 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 3ih1 h ASN 16 Cb 0.01 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 3ih1 h ASN 16 CO -0.03 0.98 0.31 -0.09 -1.06 0.00 0.00 177.43 177.54 3ih1 h ARG 17 N 0.52 0.96 0.54 0.81 2.43 -0.96 0.45 114.38 119.13 3ih1 h ARG 17 Ca 0.05 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3ih1 h ARG 17 Cb 0.90 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3ih1 h ARG 17 CO 0.08 0.77 -0.27 0.35 -1.51 0.00 0.00 179.97 179.39 3ih1 h PHE 18 N 0.93 -0.69 -0.30 2.20 3.57 -0.78 -0.57 116.94 121.30 3ih1 h PHE 18 Ca 0.23 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.78 3ih1 h PHE 18 Cb 0.13 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 3ih1 h PHE 18 CO 0.01 -0.43 -0.28 -0.09 -2.23 0.00 0.00 178.31 175.29 3ih1 h ARG 19 N -0.74 -0.25 -0.55 1.11 2.43 -0.88 -0.41 114.38 115.09 3ih1 h ARG 19 Ca -0.07 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3ih1 h ARG 19 Cb 0.57 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 3ih1 h ARG 19 CO 0.12 -0.17 -0.33 0.00 -1.51 0.00 0.00 179.97 178.07 3ih1 h ALA 20 N 0.76 -0.32 -1.03 2.80 0.00 -0.77 0.13 119.26 120.82 3ih1 h ALA 20 Ca 0.15 0.07 0.37 0.00 0.00 0.00 0.00 54.91 55.50 3ih1 h ALA 20 Cb 0.50 1.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.34 3ih1 h ALA 20 CO -0.45 -0.56 0.58 -0.07 0.00 0.00 0.00 179.25 178.76 3ih1 h LEU 21 N -0.01 0.41 0.09 0.00 3.38 0.44 0.85 115.31 120.48 3ih1 h LEU 21 Ca 0.09 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3ih1 h LEU 21 Cb 0.24 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ih1 h LEU 21 CO -0.53 -0.27 -0.04 0.58 0.09 0.00 0.00 178.44 178.28 3ih1 h VAL 22 N 0.17 1.16 0.00 1.22 2.07 0.60 -3.16 116.25 118.30 3ih1 h VAL 22 Ca 0.79 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3ih1 h VAL 22 Cb 2.00 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3ih1 h VAL 22 CO -0.66 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 176.60 3ih1 n GLU 23 N -4.88 0.14 -1.44 1.57 -0.58 0.11 -4.79 120.64 110.78 3ih1 n GLU 23 Ca -0.08 0.50 -0.37 0.00 -0.42 0.00 0.00 57.16 56.79 3ih1 n GLU 23 Cb 0.28 -1.85 0.06 0.00 -0.57 0.00 0.00 31.44 29.36 3ih1 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ih1 n ALA 24 N -1.73 -0.59 -0.25 0.62 0.00 -0.14 -4.90 120.51 113.52 3ih1 n ALA 24 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 3ih1 n ALA 24 Cb 0.13 -2.00 0.10 0.00 0.00 0.00 0.00 19.45 17.68 3ih1 n ALA 24 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3ih1 h ASN 25 N 0.02 1.02 -3.17 0.00 -0.00 -1.89 -3.43 115.58 108.12 3ih1 h ASN 25 Ca -0.47 -0.16 -0.59 0.00 -0.00 0.00 0.00 56.30 55.08 3ih1 h ASN 25 Cb 1.36 -0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 39.36 3ih1 h ASN 25 CO 0.47 0.91 -0.14 -1.61 -0.00 0.00 0.00 177.43 177.07 3ih1 s GLU 26 N -5.48 4.13 0.22 6.67 0.41 -1.26 -5.03 118.70 118.36 3ih1 s GLU 26 Ca -0.12 0.51 -0.31 0.00 -0.41 0.00 0.00 54.97 54.64 3ih1 s GLU 26 Cb 0.16 -3.29 -0.15 0.00 -1.78 0.00 0.00 34.13 29.07 3ih1 s GLU 26 CO 0.83 0.51 1.20 1.51 -0.49 0.00 0.00 175.26 178.82 3ih1 n ILE 27 N 2.38 1.17 -3.25 -1.63 0.13 -1.26 -4.93 119.36 111.96 3ih1 n ILE 27 Ca -0.11 -0.29 -0.40 0.00 -1.10 0.00 0.00 62.75 60.85 3ih1 n ILE 27 Cb 0.52 -1.06 -0.08 0.00 -0.84 0.00 0.00 39.64 38.18 3ih1 n ILE 27 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3ih1 s LEU 28 N 0.43 4.12 -0.10 9.51 2.96 -0.89 -4.99 118.68 129.72 3ih1 s LEU 28 Ca 0.68 0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 3ih1 s LEU 28 Cb -0.76 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3ih1 s LEU 28 CO 0.53 -0.33 0.55 -1.10 -1.32 0.00 0.00 176.35 174.69 3ih1 s GLN 29 N 2.31 4.37 -0.33 1.98 -0.21 -1.26 -0.44 119.66 126.09 3ih1 s GLN 29 Ca 0.20 0.59 0.01 0.00 0.02 0.00 0.00 55.36 56.18 3ih1 s GLN 29 Cb -0.16 -3.44 0.10 0.00 1.00 0.00 0.00 33.01 30.52 3ih1 s GLN 29 CO 0.10 0.12 0.09 0.42 -2.12 0.00 0.00 175.29 173.91 3ih1 s ILE 30 N 0.69 1.37 0.22 1.08 1.01 0.11 -4.47 121.20 121.20 3ih1 s ILE 30 Ca 0.30 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 3ih1 s ILE 30 Cb -0.16 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 3ih1 s ILE 30 CO 0.13 -0.66 0.96 -2.84 0.00 0.00 0.00 174.94 172.53 3ih1 s PRO 31 N 1.32 4.81 0.19 2.79 0.02 -1.25 -1.71 135.00 141.17 3ih1 s PRO 31 Ca 0.11 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 3ih1 s PRO 31 Cb -0.18 -3.29 -0.08 0.00 0.02 0.00 0.00 34.50 30.97 3ih1 s PRO 31 CO -0.19 0.43 1.24 0.20 -0.33 0.00 0.00 177.00 178.35 3ih1 s GLY 32 N -0.92 2.60 -0.25 0.52 0.00 0.90 0.32 107.32 110.50 3ih1 s GLY 32 Ca 0.43 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.15 3ih1 s GLY 32 CO 0.32 1.93 -0.01 0.00 0.00 0.00 0.00 173.10 175.35 3ih1 s ALA 33 N 0.01 1.86 -0.55 3.20 0.00 0.16 -4.43 121.76 122.01 3ih1 s ALA 33 Ca 0.54 -1.43 0.26 0.00 0.00 0.00 0.00 51.96 51.33 3ih1 s ALA 33 Cb -0.34 -1.48 0.84 0.00 0.00 0.00 0.00 23.12 22.14 3ih1 s ALA 33 CO 0.37 -1.31 1.75 1.12 0.00 0.00 0.00 175.76 177.70 3ih1 h HIS 34 N 7.98 0.00 -3.83 0.00 2.07 -1.90 -3.42 115.15 116.05 3ih1 h HIS 34 Ca -0.16 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.19 3ih1 h HIS 34 Cb 1.06 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.97 3ih1 h HIS 34 CO 0.45 0.00 -0.11 0.16 -3.07 0.00 0.00 177.93 175.35 3ih1 s ASP 35 N -4.80 0.46 0.00 3.10 -4.77 -1.26 -4.83 116.67 104.56 3ih1 s ASP 35 Ca 0.08 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.06 3ih1 s ASP 35 Cb 0.10 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.59 3ih1 s ASP 35 CO 0.55 -1.29 0.29 0.00 0.70 0.00 0.00 175.17 175.42 3ih1 n ALA 36 N -0.50 1.80 0.00 2.11 0.00 -1.26 -1.62 120.51 121.05 3ih1 n ALA 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ih1 n ALA 36 Cb 0.62 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3ih1 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih1 n ALA 38 N 0.95 0.00 -0.29 0.00 0.00 -1.26 -1.49 120.51 118.42 3ih1 n ALA 38 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ih1 n ALA 38 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.65 3ih1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih1 h ALA 39 N 0.00 1.02 -0.38 0.00 0.00 -1.63 -1.10 119.26 117.17 3ih1 h ALA 39 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3ih1 h ALA 39 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3ih1 h ALA 39 CO 0.00 0.47 -0.36 -0.07 0.00 0.00 0.00 179.25 179.29 3ih1 h LEU 40 N 1.09 0.95 -0.88 0.00 3.38 -1.55 -2.37 115.31 115.93 3ih1 h LEU 40 Ca 0.29 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3ih1 h LEU 40 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3ih1 h LEU 40 CO -0.06 1.20 -0.10 0.58 0.09 0.00 0.00 178.44 180.16 3ih1 h VAL 41 N 0.74 1.25 0.08 1.22 2.07 -1.79 -1.27 116.25 118.55 3ih1 h VAL 41 Ca 0.07 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3ih1 h VAL 41 Cb 0.94 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3ih1 h VAL 41 CO 0.09 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 178.02 3ih1 h ALA 42 N 1.24 -0.10 0.00 1.67 0.00 -1.13 -0.48 119.26 120.46 3ih1 h ALA 42 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ih1 h ALA 42 Cb 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ih1 h ALA 42 CO 0.03 -0.47 -0.22 -0.09 0.00 0.00 0.00 179.25 178.51 3ih1 h ARG 43 N -0.28 -0.33 0.00 0.00 1.12 -1.34 -1.25 114.38 112.30 3ih1 h ARG 43 Ca -0.01 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 3ih1 h ARG 43 Cb 0.24 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.27 3ih1 h ARG 43 CO 0.02 -0.22 -0.03 -0.91 -3.11 0.00 0.00 179.97 175.72 3ih1 h ASN 44 N -0.34 0.00 0.35 -3.80 2.35 -1.17 0.12 115.58 113.08 3ih1 h ASN 44 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3ih1 h ASN 44 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3ih1 h ASN 44 CO -0.19 0.03 -0.15 0.41 -1.65 0.00 0.00 177.43 175.87 3ih1 n THR 45 N -3.48 0.00 0.00 2.81 -1.04 -0.19 -4.94 114.28 107.43 3ih1 n THR 45 Ca -0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3ih1 n THR 45 Cb 0.13 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 3ih1 n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ih1 n GLY 46 N 1.31 0.82 3.79 3.41 0.00 0.42 -5.06 105.19 109.88 3ih1 n GLY 46 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3ih1 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ih1 s PHE 47 N -2.00 3.55 -0.96 1.61 0.08 -0.81 -4.96 117.98 114.49 3ih1 s PHE 47 Ca 0.00 1.72 0.09 0.00 0.12 0.00 0.00 56.93 58.86 3ih1 s PHE 47 Cb 0.00 -2.91 0.17 0.00 -0.57 0.00 0.00 43.02 39.71 3ih1 s PHE 47 CO 0.00 0.07 1.02 1.28 -0.10 0.00 0.00 175.22 177.49 3ih1 n LEU 48 N 0.14 2.32 -3.49 -0.37 4.77 -1.26 -4.39 117.00 114.72 3ih1 n LEU 48 Ca 0.04 -1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 54.33 3ih1 n LEU 48 Cb 0.51 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3ih1 n LEU 48 CO 0.42 0.53 0.47 0.00 -1.33 0.00 0.00 177.39 177.48 3ih1 s ALA 49 N -0.90 -1.73 0.19 -1.18 0.00 -1.26 -4.33 121.76 112.56 3ih1 s ALA 49 Ca 0.16 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.20 3ih1 s ALA 49 Cb 0.09 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3ih1 s ALA 49 CO 0.13 -0.53 -0.12 -0.51 0.00 0.00 0.00 175.76 174.72 3ih1 s LEU 50 N -1.83 2.54 -0.06 0.00 1.43 -0.58 -3.82 118.68 116.36 3ih1 s LEU 50 Ca -0.05 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 3ih1 s LEU 50 Cb -0.00 -0.56 0.01 0.00 0.03 0.00 0.00 46.19 45.66 3ih1 s LEU 50 CO -0.00 -0.23 -0.16 -0.47 0.23 0.00 0.00 176.35 175.72 3ih1 s TYR 51 N -3.10 1.69 -0.34 0.29 5.04 0.15 -1.30 117.35 119.78 3ih1 s TYR 51 Ca 0.21 -0.59 -0.07 0.00 -2.44 0.00 0.00 57.07 54.18 3ih1 s TYR 51 Cb 0.01 -1.18 0.04 0.00 0.35 0.00 0.00 41.96 41.18 3ih1 s TYR 51 CO 0.05 -0.25 0.12 -1.17 -1.34 0.00 0.00 175.55 172.95 3ih1 s LEU 52 N 0.39 4.38 -0.01 6.97 2.96 -0.49 0.36 118.68 133.25 3ih1 s LEU 52 Ca -0.11 -1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 52.59 3ih1 s LEU 52 Cb -0.14 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3ih1 s LEU 52 CO 0.04 -0.34 0.22 -0.94 -1.32 0.00 0.00 176.35 174.00 3ih1 s SER 53 N 1.44 6.42 0.30 3.68 1.04 -1.26 -1.51 113.70 123.82 3ih1 s SER 53 Ca -0.01 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 3ih1 s SER 53 Cb -0.20 -2.04 0.47 0.00 0.10 0.00 0.00 66.02 64.35 3ih1 s SER 53 CO 0.03 0.27 1.94 1.23 0.98 0.00 0.00 173.24 177.69 3ih1 h GLY 54 N 3.94 1.24 0.94 7.32 0.00 -1.97 -0.99 103.07 113.55 3ih1 h GLY 54 Ca -0.50 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 3ih1 h GLY 54 CO 0.67 0.38 -0.36 0.00 0.00 0.00 0.00 176.54 177.23 3ih1 h ALA 55 N 1.49 -0.95 -0.62 3.60 0.00 -1.96 0.35 119.26 121.17 3ih1 h ALA 55 Ca 0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ih1 h ALA 55 Cb 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ih1 h ALA 55 CO -0.10 -1.04 0.11 0.00 0.00 0.00 0.00 179.25 178.21 3ih1 h ALA 56 N -0.64 1.01 0.31 0.00 0.00 -1.82 -0.52 119.26 117.61 3ih1 h ALA 56 Ca -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ih1 h ALA 56 Cb 0.74 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ih1 h ALA 56 CO 0.12 0.63 -0.19 -0.92 0.00 0.00 0.00 179.25 178.89 3ih1 h TYR 57 N 0.95 -0.51 -0.39 0.00 3.20 -1.02 0.60 116.97 119.81 3ih1 h TYR 57 Ca 0.19 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.14 3ih1 h TYR 57 Cb 0.40 0.18 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 3ih1 h TYR 57 CO 0.03 -0.28 -0.19 1.79 -1.64 0.00 0.00 178.16 177.86 3ih1 h THR 58 N -0.47 0.42 -0.98 1.81 1.35 -0.90 0.13 112.91 114.28 3ih1 h THR 58 Ca -0.04 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.97 3ih1 h THR 58 Cb 0.37 0.42 -0.10 0.00 -1.73 0.00 0.00 68.15 67.12 3ih1 h THR 58 CO 0.04 0.00 0.59 0.00 -0.25 0.00 0.00 175.52 175.90 3ih1 h ALA 59 N 1.15 1.54 -0.49 6.62 0.00 -1.05 0.17 119.26 127.20 3ih1 h ALA 59 Ca 0.19 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3ih1 h ALA 59 Cb 0.42 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3ih1 h ALA 59 CO -0.47 0.06 0.00 0.77 0.00 0.00 0.00 179.25 179.61 3ih1 h SER 60 N 0.84 -0.20 0.21 0.00 0.02 0.17 -0.58 113.55 114.00 3ih1 h SER 60 Ca 0.53 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3ih1 h SER 60 Cb 0.68 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3ih1 h SER 60 CO -0.33 -0.07 0.00 0.29 -1.14 0.00 0.00 176.83 175.58 3ih1 n LYS 61 N -5.23 0.51 -1.71 3.45 5.02 0.45 -4.86 118.16 115.79 3ih1 n LYS 61 Ca 0.05 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3ih1 n LYS 61 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3ih1 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ih1 n GLY 62 N 0.49 0.51 3.48 0.72 0.00 -0.23 -5.07 105.19 105.10 3ih1 n GLY 62 Ca 0.14 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 3ih1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ih1 s LEU 63 N 0.00 2.62 0.43 0.99 1.43 -0.36 -4.98 118.68 118.82 3ih1 s LEU 63 Ca 0.00 -1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 51.82 3ih1 s LEU 63 Cb 0.00 -1.05 -0.10 0.00 0.03 0.00 0.00 46.19 45.07 3ih1 s LEU 63 CO 0.00 -0.03 0.98 -2.16 0.23 0.00 0.00 176.35 175.36 3ih1 s PRO 64 N -3.54 4.14 -1.21 1.29 0.05 -1.26 -3.22 135.00 131.25 3ih1 s PRO 64 Ca 0.30 1.21 -0.19 0.00 0.05 0.00 0.00 61.00 62.37 3ih1 s PRO 64 Cb -0.03 -2.22 -0.02 0.00 0.05 0.00 0.00 34.50 32.28 3ih1 s PRO 64 CO 0.15 -0.11 1.91 -3.47 0.05 0.00 0.00 177.00 175.52 3ih1 n ASP 65 N -0.61 3.82 -0.76 6.66 2.03 -1.26 -4.54 116.55 121.89 3ih1 n ASP 65 Ca 0.07 -2.80 0.04 0.00 0.52 0.00 0.00 54.79 52.62 3ih1 n ASP 65 Cb 0.53 -1.63 0.06 0.00 -0.72 0.00 0.00 41.12 39.36 3ih1 n ASP 65 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ih1 n LEU 66 N 9.72 1.15 -3.07 -2.67 4.77 -1.26 -5.02 117.00 120.62 3ih1 n LEU 66 Ca 0.48 -2.14 -0.15 0.00 -0.03 0.00 0.00 56.01 54.18 3ih1 n LEU 66 Cb 0.44 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3ih1 n LEU 66 CO 0.81 0.59 0.10 0.61 -1.33 0.00 0.00 177.39 178.17 3ih1 n GLY 67 N -0.26 -0.25 0.04 -0.72 0.00 -1.26 -4.94 105.19 97.80 3ih1 n GLY 67 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3ih1 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ih1 n ILE 68 N -3.73 0.00 -2.33 -0.61 -5.35 -1.26 -5.00 119.36 101.08 3ih1 n ILE 68 Ca -0.23 -0.47 -0.28 0.00 -0.27 0.00 0.00 62.75 61.50 3ih1 n ILE 68 Cb 0.64 1.02 0.02 0.00 -1.74 0.00 0.00 39.64 39.58 3ih1 n ILE 68 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3ih1 s VAL 69 N -0.75 4.27 0.25 7.28 -7.23 -1.26 -5.09 120.40 117.87 3ih1 s VAL 69 Ca 0.02 0.28 0.07 0.00 -1.81 0.00 0.00 61.98 60.55 3ih1 s VAL 69 Cb 0.02 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3ih1 s VAL 69 CO 0.06 -0.75 0.15 0.42 -0.31 0.00 0.00 175.10 174.68 3ih1 s THR 70 N -2.98 4.25 0.50 5.32 -4.23 -1.26 -5.00 115.64 112.24 3ih1 s THR 70 Ca 0.52 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.70 3ih1 s THR 70 Cb -0.11 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.75 3ih1 s THR 70 CO 0.47 -0.35 2.08 0.77 -0.54 0.00 0.00 174.62 177.06 3ih1 h SER 71 N 1.61 0.11 -0.48 3.99 4.64 -1.96 -2.02 113.55 119.43 3ih1 h SER 71 Ca -0.48 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3ih1 h SER 71 Cb 1.24 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3ih1 h SER 71 CO 0.61 0.07 -0.05 0.74 -0.87 0.00 0.00 176.83 177.33 3ih1 h THR 72 N 0.12 1.27 -0.29 2.95 2.02 -1.99 -1.15 112.91 115.84 3ih1 h THR 72 Ca 0.11 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 3ih1 h THR 72 Cb 0.27 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3ih1 h THR 72 CO -0.01 0.40 -0.06 -0.33 0.37 0.00 0.00 175.52 175.88 3ih1 h GLU 73 N 0.73 0.56 -0.66 6.66 5.08 -1.79 -2.46 114.58 122.70 3ih1 h GLU 73 Ca 0.13 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3ih1 h GLU 73 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3ih1 h GLU 73 CO 0.03 0.75 0.16 0.28 -1.00 0.00 0.00 179.01 179.23 3ih1 h VAL 74 N 0.33 1.26 0.00 3.13 2.07 -1.37 -2.15 116.25 119.52 3ih1 h VAL 74 Ca 0.08 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3ih1 h VAL 74 Cb 0.54 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ih1 h VAL 74 CO 0.03 0.36 -0.25 0.00 0.02 0.00 0.00 177.57 177.73 3ih1 h ALA 75 N 1.06 1.27 0.01 1.67 0.00 -1.17 -1.90 119.26 120.21 3ih1 h ALA 75 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ih1 h ALA 75 Cb 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ih1 h ALA 75 CO 0.00 0.32 -0.23 0.93 0.00 0.00 0.00 179.25 180.26 3ih1 h GLU 76 N 0.00 0.14 -0.43 0.00 5.08 -1.03 -1.83 114.58 116.50 3ih1 h GLU 76 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3ih1 h GLU 76 Cb 0.56 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3ih1 h GLU 76 CO 0.03 0.94 0.28 -0.09 -1.00 0.00 0.00 179.01 179.17 3ih1 h ARG 77 N -0.59 0.57 -0.55 2.33 9.65 -1.35 -1.58 114.38 122.87 3ih1 h ARG 77 Ca -0.03 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 3ih1 h ARG 77 Cb 1.03 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 3ih1 h ARG 77 CO 0.05 0.39 0.04 0.00 2.80 0.00 0.00 179.97 183.24 3ih1 h ALA 78 N 1.72 0.73 -0.27 2.80 0.00 -1.37 -2.42 119.26 120.45 3ih1 h ALA 78 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ih1 h ALA 78 Cb -0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 3ih1 h ALA 78 CO -0.03 0.52 -0.50 -0.09 0.00 0.00 0.00 179.25 179.15 3ih1 h ARG 79 N 0.82 -0.44 -0.96 0.00 9.65 -0.43 -1.19 114.38 121.83 3ih1 h ARG 79 Ca 0.16 0.03 0.31 0.00 -1.10 0.00 0.00 59.98 59.38 3ih1 h ARG 79 Cb 0.49 0.10 -0.16 0.00 -1.39 0.00 0.00 29.97 29.00 3ih1 h ARG 79 CO 0.02 -0.29 0.32 -0.44 2.80 0.00 0.00 179.97 182.38 3ih1 h ASP 80 N -0.46 0.05 0.04 -3.80 5.19 -0.87 0.77 116.42 117.34 3ih1 h ASP 80 Ca 0.08 0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3ih1 h ASP 80 Cb 0.63 0.30 0.00 0.00 0.18 0.00 0.00 39.33 40.44 3ih1 h ASP 80 CO -0.51 -0.28 -0.02 -0.07 -3.12 0.00 0.00 179.24 175.25 3ih1 h LEU 81 N 0.12 -0.04 -0.11 1.55 4.07 -0.79 -2.46 115.31 117.66 3ih1 h LEU 81 Ca 0.68 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 3ih1 h LEU 81 Cb 1.54 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.29 3ih1 h LEU 81 CO -0.75 0.35 0.02 0.58 -1.08 0.00 0.00 178.44 177.57 3ih1 h VAL 82 N -0.44 1.20 -0.83 1.22 2.07 -0.92 -2.37 116.25 116.18 3ih1 h VAL 82 Ca -0.00 -0.62 0.22 0.00 0.82 0.00 0.00 66.70 67.11 3ih1 h VAL 82 Cb 0.41 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3ih1 h VAL 82 CO 0.01 0.18 0.58 0.03 0.02 0.00 0.00 177.57 178.39 3ih1 h ARG 83 N -0.04 0.16 0.05 1.57 3.08 -0.92 0.20 114.38 118.48 3ih1 h ARG 83 Ca 0.03 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.80 3ih1 h ARG 83 Cb 0.26 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3ih1 h ARG 83 CO 0.00 0.11 -1.44 0.00 -1.07 0.00 0.00 179.97 177.57 3ih1 h ALA 84 N 1.61 0.45 0.00 0.04 0.00 -1.23 -3.43 119.26 116.70 3ih1 h ALA 84 Ca 0.41 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3ih1 h ALA 84 Cb 1.36 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3ih1 h ALA 84 CO -0.07 1.31 -0.84 0.25 0.00 0.00 0.00 179.25 179.89 3ih1 n THR 85 N -3.30 0.00 -2.40 0.00 -2.24 -0.46 -4.92 114.28 100.95 3ih1 n THR 85 Ca -0.12 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 3ih1 n THR 85 Cb 1.02 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3ih1 n THR 85 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ih1 n ASP 86 N -1.75 -4.90 -4.81 3.42 2.03 0.57 -5.02 116.55 106.10 3ih1 n ASP 86 Ca 0.00 -0.05 -0.31 0.00 0.52 0.00 0.00 54.79 54.95 3ih1 n ASP 86 Cb 0.41 -3.97 -0.06 0.00 -0.72 0.00 0.00 41.12 36.78 3ih1 n ASP 86 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ih1 s LEU 87 N -4.80 3.95 0.18 -2.67 1.43 -1.26 -4.89 118.68 110.61 3ih1 s LEU 87 Ca 0.04 0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 3ih1 s LEU 87 Cb -0.02 -2.50 -0.10 0.00 0.03 0.00 0.00 46.19 43.60 3ih1 s LEU 87 CO 0.05 0.21 1.55 -2.84 0.23 0.00 0.00 176.35 175.55 3ih1 s PRO 88 N -2.17 4.22 -0.13 1.29 0.02 -1.26 -4.72 135.00 132.24 3ih1 s PRO 88 Ca 0.28 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.69 3ih1 s PRO 88 Cb -0.12 -3.15 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3ih1 s PRO 88 CO 0.20 -0.59 -0.21 0.08 -0.33 0.00 0.00 177.00 176.16 3ih1 s VAL 89 N 0.98 1.95 -0.21 3.83 1.01 -1.26 -1.52 120.40 125.17 3ih1 s VAL 89 Ca 0.69 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 3ih1 s VAL 89 Cb -0.44 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3ih1 s VAL 89 CO 0.33 0.53 0.57 -0.22 0.00 0.00 0.00 175.10 176.31 3ih1 s LEU 90 N 0.77 4.12 -0.19 3.92 2.96 -0.42 -2.32 118.68 127.53 3ih1 s LEU 90 Ca -0.09 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3ih1 s LEU 90 Cb -0.16 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 3ih1 s LEU 90 CO -0.00 -0.24 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.03 3ih1 s VAL 91 N 1.90 3.36 -0.38 1.68 1.01 -0.58 -1.39 120.40 125.99 3ih1 s VAL 91 Ca 0.25 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 3ih1 s VAL 91 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3ih1 s VAL 91 CO 0.10 0.46 1.79 -0.62 0.00 0.00 0.00 175.10 176.82 3ih1 s ASP 92 N 1.07 5.81 -0.32 3.32 2.15 -0.57 -0.52 116.67 127.61 3ih1 s ASP 92 Ca 0.01 1.11 0.10 0.00 0.43 0.00 0.00 52.55 54.19 3ih1 s ASP 92 Cb -0.15 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.67 3ih1 s ASP 92 CO -0.01 -1.81 1.78 2.30 -0.17 0.00 0.00 175.17 177.26 3ih1 n ILE 93 N 7.36 2.90 0.00 4.11 -5.35 0.35 -4.50 119.36 124.24 3ih1 n ILE 93 Ca 0.22 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.98 3ih1 n ILE 93 Cb 0.48 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 3ih1 n ILE 93 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3ih1 n ASP 94 N -0.26 0.00 -0.89 7.28 8.00 -1.24 -0.76 116.55 128.68 3ih1 n ASP 94 Ca 0.40 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.98 3ih1 n ASP 94 Cb 1.36 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 42.68 3ih1 n ASP 94 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ih1 n THR 95 N 0.00 1.10 -0.01 -3.53 -2.24 -1.26 -0.60 114.28 107.74 3ih1 n THR 95 Ca 0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 3ih1 n THR 95 Cb 0.00 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3ih1 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih1 n GLY 96 N 0.80 0.85 3.47 3.38 0.00 0.06 -4.55 105.19 109.20 3ih1 n GLY 96 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3ih1 n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ih1 n PHE 97 N -2.01 -2.18 0.00 1.61 3.72 -1.26 -3.02 117.46 114.33 3ih1 n PHE 97 Ca 0.00 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.22 3ih1 n PHE 97 Cb 0.00 -4.37 0.00 0.00 -0.94 0.00 0.00 39.48 34.17 3ih1 n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ih1 n GLY 98 N -1.35 0.38 0.00 1.37 0.00 -1.26 -4.70 105.19 99.63 3ih1 n GLY 98 Ca -0.19 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3ih1 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih1 n GLY 99 N 0.00 1.17 0.36 -0.02 0.00 -1.26 -4.70 105.19 100.74 3ih1 n GLY 99 Ca 0.00 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.16 3ih1 n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ih1 h VAL 100 N -0.14 0.77 0.03 1.61 2.07 -1.96 0.50 116.25 119.13 3ih1 h VAL 100 Ca 0.00 -0.27 -0.27 0.00 0.82 0.00 0.00 66.70 66.98 3ih1 h VAL 100 Cb 0.00 -0.10 0.02 0.00 -1.52 0.00 0.00 31.29 29.69 3ih1 h VAL 100 CO 0.00 0.15 -1.08 -0.07 0.02 0.00 0.00 177.57 176.59 3ih1 h LEU 101 N 0.80 0.85 -0.08 2.57 3.38 -1.98 -1.14 115.31 119.71 3ih1 h LEU 101 Ca 0.54 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ih1 h LEU 101 Cb 0.79 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ih1 h LEU 101 CO -0.32 1.51 0.05 0.78 0.09 0.00 0.00 178.44 180.55 3ih1 h ASN 102 N 0.34 0.10 -0.97 -0.43 2.35 -1.62 -1.59 115.58 113.76 3ih1 h ASN 102 Ca -0.14 -0.05 0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3ih1 h ASN 102 Cb 1.74 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.99 3ih1 h ASN 102 CO 0.21 0.12 0.59 0.58 -1.65 0.00 0.00 177.43 177.27 3ih1 h VAL 103 N 0.07 0.81 -0.81 2.81 2.07 0.06 0.11 116.25 121.37 3ih1 h VAL 103 Ca 0.03 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3ih1 h VAL 103 Cb 0.04 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 3ih1 h VAL 103 CO -0.01 0.15 0.38 0.00 0.02 0.00 0.00 177.57 178.12 3ih1 h ALA 104 N 1.58 1.04 -0.04 1.67 0.00 -0.75 -1.84 119.26 120.91 3ih1 h ALA 104 Ca 0.52 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 55.03 3ih1 h ALA 104 Cb 0.66 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ih1 h ALA 104 CO -0.32 0.61 -0.92 -0.09 0.00 0.00 0.00 179.25 178.52 3ih1 h ARG 105 N 1.14 0.59 -0.97 0.00 2.43 -0.22 -2.83 114.38 114.52 3ih1 h ARG 105 Ca 0.28 -0.58 0.10 0.00 -0.81 0.00 0.00 59.98 58.96 3ih1 h ARG 105 Cb 0.13 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 3ih1 h ARG 105 CO -0.03 1.20 0.62 1.15 -1.51 0.00 0.00 179.97 181.39 3ih1 h THR 106 N 0.35 0.98 -0.49 0.20 2.02 -0.74 -0.72 112.91 114.51 3ih1 h THR 106 Ca -0.09 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 3ih1 h THR 106 Cb 1.56 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3ih1 h THR 106 CO 0.17 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 176.12 3ih1 h ALA 107 N 1.52 0.84 -0.14 6.16 0.00 -1.24 -3.07 119.26 123.34 3ih1 h ALA 107 Ca 0.45 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ih1 h ALA 107 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ih1 h ALA 107 CO -0.21 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 179.85 3ih1 h VAL 108 N 0.82 1.34 0.00 0.00 2.07 -1.15 -2.38 116.25 116.95 3ih1 h VAL 108 Ca 0.13 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3ih1 h VAL 108 Cb 0.67 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3ih1 h VAL 108 CO 0.05 0.37 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 3ih1 n GLU 109 N -4.59 0.00 0.00 1.57 1.02 -0.34 -0.76 120.64 117.54 3ih1 n GLU 109 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3ih1 n GLU 109 Cb 0.34 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3ih1 n GLU 109 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ih1 n VAL 111 N 0.75 0.00 -0.19 2.62 0.31 -0.90 -1.82 118.33 119.10 3ih1 n VAL 111 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3ih1 n VAL 111 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 3ih1 n VAL 111 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ih1 h GLU 112 N 0.00 0.99 0.00 5.55 5.08 -1.22 -1.36 114.58 123.62 3ih1 h GLU 112 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3ih1 h GLU 112 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3ih1 h GLU 112 CO 0.00 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 3ih1 n ALA 113 N -2.46 2.27 -2.56 3.43 0.00 -0.75 -4.86 120.51 115.59 3ih1 n ALA 113 Ca 0.05 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 3ih1 n ALA 113 Cb 0.25 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.34 3ih1 n ALA 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ih1 n LYS 114 N -1.07 -2.48 -1.90 0.00 5.02 -0.51 -4.55 118.16 112.67 3ih1 n LYS 114 Ca 0.15 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 3ih1 n LYS 114 Cb 0.10 -5.26 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 3ih1 n LYS 114 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ih1 s VAL 115 N -2.94 2.31 0.05 -0.18 1.01 -1.26 -4.76 120.40 114.62 3ih1 s VAL 115 Ca 0.10 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3ih1 s VAL 115 Cb -0.05 -3.18 -0.30 0.00 0.00 0.00 0.00 36.38 32.86 3ih1 s VAL 115 CO 0.13 0.06 1.04 0.00 0.00 0.00 0.00 175.10 176.32 3ih1 h ALA 116 N 4.06 0.10 -2.67 5.51 0.00 -1.78 -3.43 119.26 121.04 3ih1 h ALA 116 Ca -0.48 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 53.42 3ih1 h ALA 116 Cb 1.23 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 3ih1 h ALA 116 CO 0.72 0.97 -0.18 0.00 0.00 0.00 0.00 179.25 180.76 3ih1 s ALA 117 N -2.64 -0.65 0.05 0.00 0.00 -1.04 -2.72 121.76 114.77 3ih1 s ALA 117 Ca -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.64 3ih1 s ALA 117 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3ih1 s ALA 117 CO 0.89 -0.61 -0.11 0.14 0.00 0.00 0.00 175.76 176.07 3ih1 s VAL 118 N -3.83 0.82 -0.16 0.00 -7.23 -0.77 -1.53 120.40 107.70 3ih1 s VAL 118 Ca 0.05 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 3ih1 s VAL 118 Cb 0.03 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 3ih1 s VAL 118 CO -0.11 -0.22 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.79 3ih1 s GLN 119 N -1.44 3.41 0.03 4.82 0.74 0.32 -1.05 119.66 126.49 3ih1 s GLN 119 Ca -0.04 -0.65 0.07 0.00 0.05 0.00 0.00 55.36 54.79 3ih1 s GLN 119 Cb -0.09 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.21 3ih1 s GLN 119 CO 0.01 0.07 -0.19 -1.50 -0.55 0.00 0.00 175.29 173.13 3ih1 s ILE 120 N 0.75 1.54 0.25 -2.34 2.07 -0.71 -0.49 121.20 122.25 3ih1 s ILE 120 Ca -0.04 -1.09 0.11 0.00 -1.41 0.00 0.00 60.65 58.22 3ih1 s ILE 120 Cb -0.15 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 41.06 3ih1 s ILE 120 CO 0.02 0.21 -0.20 -1.83 -1.91 0.00 0.00 174.94 171.23 3ih1 s GLU 121 N -1.04 1.58 0.00 3.50 -1.05 0.23 -0.03 118.70 121.90 3ih1 s GLU 121 Ca 0.06 -1.67 0.20 0.00 -0.15 0.00 0.00 54.97 53.41 3ih1 s GLU 121 Cb -0.08 -1.68 0.69 0.00 -0.44 0.00 0.00 34.13 32.62 3ih1 s GLU 121 CO 0.01 0.32 1.51 -0.40 0.95 0.00 0.00 175.26 177.66 3ih1 n ASP 122 N -0.34 1.70 -4.70 0.83 5.68 -0.98 -4.60 116.55 114.14 3ih1 n ASP 122 Ca -0.07 -1.75 -0.35 0.00 -0.50 0.00 0.00 54.79 52.12 3ih1 n ASP 122 Cb 0.59 -0.12 0.11 0.00 -1.14 0.00 0.00 41.12 40.56 3ih1 n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ih1 n GLN 123 N 0.36 0.47 -4.01 0.11 1.13 -1.26 -0.76 117.38 113.41 3ih1 n GLN 123 Ca 0.16 0.23 -0.35 0.00 -1.94 0.00 0.00 57.00 55.10 3ih1 n GLN 123 Cb 0.33 -2.46 -0.11 0.00 0.11 0.00 0.00 30.24 28.10 3ih1 n GLN 123 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3ih1 s GLN 124 N -3.88 3.85 -0.00 -1.09 -0.44 -1.08 -4.45 119.66 112.57 3ih1 s GLN 124 Ca 0.76 -0.40 -0.04 0.00 -2.50 0.00 0.00 55.36 53.18 3ih1 s GLN 124 Cb -0.32 -3.20 -0.00 0.00 -1.64 0.00 0.00 33.01 27.85 3ih1 s GLN 124 CO 0.48 0.15 0.09 -0.51 0.50 0.00 0.00 175.29 175.99 3ih1 s LEU 125 N 0.69 1.74 0.00 3.68 1.43 -1.26 -4.39 118.68 120.57 3ih1 s LEU 125 Ca 0.03 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 3ih1 s LEU 125 Cb -0.13 0.44 0.22 0.00 0.03 0.00 0.00 46.19 46.74 3ih1 s LEU 125 CO 0.02 -0.26 1.15 -0.81 0.23 0.00 0.00 176.35 176.68 3ih1 n PRO 126 N 1.93 -1.61 -3.21 1.29 -0.04 -1.26 -4.97 135.00 127.14 3ih1 n PRO 126 Ca -0.20 -1.79 -0.35 0.00 -0.04 0.00 0.00 63.50 61.12 3ih1 n PRO 126 Cb 0.56 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 3ih1 n PRO 126 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ih1 s LYS 127 N -5.53 4.12 0.32 0.54 -0.14 -1.26 -5.03 119.74 112.75 3ih1 s LYS 127 Ca 0.67 0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 55.69 3ih1 s LYS 127 Cb -0.03 -2.86 -0.12 0.00 -1.68 0.00 0.00 37.83 33.14 3ih1 s LYS 127 CO 0.48 0.40 1.41 1.17 -0.76 0.00 0.00 175.35 178.05 3ih1 n LYS 128 N 0.64 2.31 -1.45 1.68 4.81 -1.26 -4.80 118.16 120.09 3ih1 n LYS 128 Ca -0.03 0.82 -0.47 0.00 -0.87 0.00 0.00 58.31 57.76 3ih1 n LYS 128 Cb 0.52 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 3ih1 n LYS 128 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ih1 n GLY 130 N 1.78 1.78 2.74 0.00 0.00 -1.26 -4.71 105.19 105.52 3ih1 n GLY 130 Ca 0.16 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3ih1 n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ih1 n HIS 131 N 0.00 3.13 0.69 1.61 8.25 -0.89 -4.73 115.22 123.27 3ih1 n HIS 131 Ca 0.00 -2.89 0.09 0.00 -0.26 0.00 0.00 57.72 54.65 3ih1 n HIS 131 Cb 0.00 -0.98 0.40 0.00 1.12 0.00 0.00 29.99 30.53 3ih1 n HIS 131 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ih1 n LEU 132 N -0.19 0.00 -2.31 2.41 7.94 -1.21 -2.51 117.00 121.14 3ih1 n LEU 132 Ca 0.44 0.43 -0.32 0.00 -1.11 0.00 0.00 56.01 55.44 3ih1 n LEU 132 Cb 0.31 -0.43 0.07 0.00 0.53 0.00 0.00 43.42 43.90 3ih1 n LEU 132 CO 0.47 -0.17 1.43 -3.20 -1.11 0.00 0.00 177.39 174.81 3ih1 n ASN 133 N -1.43 7.47 -4.78 1.96 2.85 -1.26 -4.87 115.26 115.21 3ih1 n ASN 133 Ca 0.06 -3.66 -0.31 0.00 -0.11 0.00 0.00 54.58 50.56 3ih1 n ASN 133 Cb 0.18 -1.01 0.09 0.00 1.24 0.00 0.00 39.78 40.29 3ih1 n ASN 133 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3ih1 s GLY 134 N -1.39 1.65 0.00 8.20 0.00 -1.04 -4.98 107.32 109.75 3ih1 s GLY 134 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3ih1 s GLY 134 CO -0.04 0.45 0.30 0.58 0.00 0.00 0.00 173.10 174.38 3ih1 n LYS 135 N -3.49 0.10 -1.99 2.90 2.85 -1.26 -5.08 118.16 112.19 3ih1 n LYS 135 Ca 0.08 -0.34 -0.34 0.00 -1.05 0.00 0.00 58.31 56.66 3ih1 n LYS 135 Cb 0.54 -0.62 0.03 0.00 -0.65 0.00 0.00 35.03 34.33 3ih1 n LYS 135 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3ih1 s LYS 136 N -0.09 3.06 0.34 -1.58 -2.85 -1.26 -4.95 119.74 112.41 3ih1 s LYS 136 Ca 0.00 1.49 0.09 0.00 -1.00 0.00 0.00 55.97 56.55 3ih1 s LYS 136 Cb 0.00 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.74 3ih1 s LYS 136 CO 0.00 -1.06 -0.04 -0.51 0.10 0.00 0.00 175.35 173.84 3ih1 s LEU 137 N -4.38 2.88 0.65 2.77 1.43 -1.26 -2.62 118.68 118.15 3ih1 s LEU 137 Ca 0.70 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 3ih1 s LEU 137 Cb -0.22 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.78 3ih1 s LEU 137 CO 0.35 -0.20 1.02 0.68 0.23 0.00 0.00 176.35 178.42 3ih1 s VAL 138 N -2.54 3.80 0.92 -1.59 -7.23 0.06 -4.75 120.40 109.06 3ih1 s VAL 138 Ca 0.34 0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 3ih1 s VAL 138 Cb 0.00 -3.55 0.13 0.00 0.56 0.00 0.00 36.38 33.52 3ih1 s VAL 138 CO 0.18 -0.68 1.05 0.35 -0.31 0.00 0.00 175.10 175.69 3ih1 n THR 139 N -2.82 0.11 -0.08 5.32 -2.24 -1.26 -4.88 114.28 108.42 3ih1 n THR 139 Ca 0.06 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3ih1 n THR 139 Cb 0.57 -0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3ih1 n THR 139 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ih1 h THR 140 N -1.81 0.97 -0.72 4.28 2.02 -1.97 -2.11 112.91 113.57 3ih1 h THR 140 Ca -0.43 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 66.73 3ih1 h THR 140 Cb 1.27 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 3ih1 h THR 140 CO 0.40 0.05 0.47 -0.08 0.37 0.00 0.00 175.52 176.74 3ih1 h GLU 141 N 0.29 0.64 -0.46 6.66 4.81 -1.98 -1.29 114.58 123.25 3ih1 h GLU 141 Ca 0.13 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3ih1 h GLU 141 Cb 0.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ih1 h GLU 141 CO -0.10 0.42 0.28 1.49 -0.73 0.00 0.00 179.01 180.37 3ih1 h GLU 142 N 0.66 0.54 -0.03 1.92 4.81 -1.72 -0.17 114.58 120.59 3ih1 h GLU 142 Ca 0.32 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.33 3ih1 h GLU 142 Cb 0.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3ih1 h GLU 142 CO -0.11 0.36 -0.82 1.25 -0.73 0.00 0.00 179.01 178.96 3ih1 h LEU 143 N 0.56 0.39 -0.54 1.64 5.85 -1.40 -3.19 115.31 118.62 3ih1 h LEU 143 Ca 0.18 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3ih1 h LEU 143 Cb 0.00 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3ih1 h LEU 143 CO -0.08 1.06 0.16 0.58 -0.34 0.00 0.00 178.44 179.82 3ih1 h VAL 144 N 0.20 0.76 -0.51 1.05 2.07 -0.19 0.99 116.25 120.62 3ih1 h VAL 144 Ca -0.04 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3ih1 h VAL 144 Cb 1.42 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3ih1 h VAL 144 CO 0.13 0.06 -0.10 1.56 0.02 0.00 0.00 177.57 179.24 3ih1 h GLN 145 N 0.32 0.93 -0.76 1.57 4.20 -1.14 -1.64 115.11 118.58 3ih1 h GLN 145 Ca 0.27 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3ih1 h GLN 145 Cb 0.34 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3ih1 h GLN 145 CO -0.30 0.98 0.49 0.87 -0.67 0.00 0.00 178.83 180.20 3ih1 h LYS 146 N 0.84 1.01 -0.66 1.46 1.57 -1.25 0.55 116.57 120.08 3ih1 h LYS 146 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3ih1 h LYS 146 Cb 0.63 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3ih1 h LYS 146 CO 0.04 0.68 0.24 0.82 -0.57 0.00 0.00 179.45 180.66 3ih1 h ILE 147 N 1.04 1.25 -0.61 1.86 2.04 -0.57 -2.06 117.51 120.45 3ih1 h ILE 147 Ca 0.28 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3ih1 h ILE 147 Cb -0.10 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3ih1 h ILE 147 CO -0.06 0.32 0.16 0.11 0.00 0.00 0.00 178.15 178.68 3ih1 h LYS 148 N 0.95 0.94 -0.57 2.37 1.57 -0.83 -0.81 116.57 120.19 3ih1 h LYS 148 Ca 0.22 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3ih1 h LYS 148 Cb 0.25 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3ih1 h LYS 148 CO -0.01 0.83 0.31 0.00 -0.57 0.00 0.00 179.45 180.00 3ih1 h ALA 149 N 1.27 0.74 0.51 3.86 0.00 -0.53 -0.32 119.26 124.79 3ih1 h ALA 149 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ih1 h ALA 149 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ih1 h ALA 149 CO -0.00 -0.02 -0.24 0.82 0.00 0.00 0.00 179.25 179.81 3ih1 h ILE 150 N 0.59 0.00 -1.54 0.00 2.04 -0.74 -1.27 117.51 116.59 3ih1 h ILE 150 Ca 0.25 -0.03 0.49 0.00 1.00 0.00 0.00 64.86 66.56 3ih1 h ILE 150 Cb 0.13 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.09 3ih1 h ILE 150 CO -0.15 0.00 1.04 0.11 0.00 0.00 0.00 178.15 179.15 3ih1 h LYS 151 N -0.72 0.03 0.23 2.37 1.79 -1.12 0.30 116.57 119.45 3ih1 h LYS 151 Ca -0.07 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3ih1 h LYS 151 Cb 0.52 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3ih1 h LYS 151 CO 0.11 0.02 -0.11 1.49 -1.08 0.00 0.00 179.45 179.89 3ih1 h GLU 152 N 0.03 -0.29 0.00 3.15 4.57 -0.75 -3.28 114.58 118.01 3ih1 h GLU 152 Ca 0.87 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.91 3ih1 h GLU 152 Cb 3.02 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 31.65 3ih1 h GLU 152 CO -0.29 0.07 -0.98 0.28 -1.18 0.00 0.00 179.01 176.91 3ih1 h VAL 153 N -0.91 0.84 -2.10 0.32 2.07 0.00 -3.41 116.25 113.07 3ih1 h VAL 153 Ca -0.03 -2.33 -0.56 0.00 0.82 0.00 0.00 66.70 64.60 3ih1 h VAL 153 Cb 0.50 2.33 -0.38 0.00 -1.52 0.00 0.00 31.29 32.23 3ih1 h VAL 153 CO 0.05 0.48 -1.03 0.00 0.02 0.00 0.00 177.57 177.09 3ih1 n ALA 154 N -2.33 2.47 1.28 1.67 0.00 0.92 -4.92 120.51 119.60 3ih1 n ALA 154 Ca -0.04 -3.19 0.11 0.00 0.00 0.00 0.00 53.44 50.32 3ih1 n ALA 154 Cb 0.82 -0.81 0.64 0.00 0.00 0.00 0.00 19.45 20.10 3ih1 n ALA 154 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ih1 n PRO 155 N 2.06 0.54 0.00 0.00 -0.02 -1.24 -2.12 135.00 134.22 3ih1 n PRO 155 Ca 0.25 0.04 0.14 0.00 -2.02 0.00 0.00 63.50 61.90 3ih1 n PRO 155 Cb 0.51 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 33.01 3ih1 n PRO 155 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ih1 n SER 156 N -1.13 1.33 -4.63 2.55 3.41 -1.26 -4.86 113.62 109.02 3ih1 n SER 156 Ca 0.14 -1.35 -0.38 0.00 -0.26 0.00 0.00 58.87 57.03 3ih1 n SER 156 Cb 0.13 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 3ih1 n SER 156 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ih1 s LEU 157 N -2.10 4.08 0.00 1.04 2.96 -0.90 -4.70 118.68 119.05 3ih1 s LEU 157 Ca 0.36 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 54.12 3ih1 s LEU 157 Cb 0.21 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3ih1 s LEU 157 CO 0.37 -0.04 1.20 -0.47 -1.32 0.00 0.00 176.35 176.09 3ih1 s TYR 158 N 1.50 3.31 -0.20 5.38 5.04 -1.10 -4.96 117.35 126.32 3ih1 s TYR 158 Ca 0.10 1.26 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 3ih1 s TYR 158 Cb -0.15 -3.41 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 3ih1 s TYR 158 CO 0.08 -1.27 -0.01 0.42 -1.34 0.00 0.00 175.55 173.43 3ih1 s ILE 159 N 1.63 3.81 -0.20 3.14 1.01 -1.26 -1.84 121.20 127.48 3ih1 s ILE 159 Ca 0.57 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 3ih1 s ILE 159 Cb -0.27 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3ih1 s ILE 159 CO 0.26 0.43 0.04 -0.69 0.00 0.00 0.00 174.94 174.98 3ih1 s VAL 160 N 1.08 4.39 -0.20 2.92 1.01 -0.21 -0.46 120.40 128.93 3ih1 s VAL 160 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3ih1 s VAL 160 Cb -0.14 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3ih1 s VAL 160 CO 0.01 0.42 0.06 0.00 0.00 0.00 0.00 175.10 175.60 3ih1 s ALA 161 N 0.82 3.31 -0.10 5.51 0.00 -0.61 -1.74 121.76 128.95 3ih1 s ALA 161 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 3ih1 s ALA 161 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3ih1 s ALA 161 CO 0.02 -0.02 0.24 0.50 0.00 0.00 0.00 175.76 176.50 3ih1 s ARG 162 N 0.75 3.78 -0.06 0.00 3.52 0.96 -0.91 118.95 126.99 3ih1 s ARG 162 Ca 0.03 0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 3ih1 s ARG 162 Cb -0.13 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3ih1 s ARG 162 CO 0.02 0.61 -0.12 -0.08 -0.81 0.00 0.00 175.30 174.92 3ih1 s THR 163 N -0.64 1.13 -0.33 4.11 -1.32 -0.79 -2.32 115.64 115.47 3ih1 s THR 163 Ca 0.17 -0.49 0.10 0.00 -1.21 0.00 0.00 61.69 60.26 3ih1 s THR 163 Cb -0.13 -1.03 0.74 0.00 -1.51 0.00 0.00 72.50 70.56 3ih1 s THR 163 CO 0.06 0.35 1.81 0.47 -2.21 0.00 0.00 174.62 175.10 3ih1 n ASP 164 N 3.74 4.70 0.23 8.08 8.00 -1.26 -2.12 116.55 137.91 3ih1 n ASP 164 Ca -0.22 -3.27 0.12 0.00 0.71 0.00 0.00 54.79 52.13 3ih1 n ASP 164 Cb 0.52 -0.75 0.37 0.00 -0.02 0.00 0.00 41.12 41.24 3ih1 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 h ALA 165 N 2.50 0.96 0.35 2.24 0.00 -1.92 -3.30 119.26 120.08 3ih1 h ALA 165 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ih1 h ALA 165 Cb 2.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 3ih1 h ALA 165 CO 0.75 0.16 -0.30 -0.09 0.00 0.00 0.00 179.25 179.77 3ih1 h ARG 166 N 0.00 -0.64 0.00 0.00 9.65 -1.81 0.12 114.38 121.70 3ih1 h ARG 166 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3ih1 h ARG 166 Cb 0.85 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3ih1 h ARG 166 CO 0.02 -0.43 0.00 0.41 2.80 0.00 0.00 179.97 182.77 3ih1 n GLY 167 N -1.42 -1.04 0.00 2.80 0.00 -1.24 -1.91 105.19 102.37 3ih1 n GLY 167 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3ih1 n GLY 167 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ih1 n VAL 168 N -1.11 0.00 0.00 1.61 3.14 -1.17 -4.89 118.33 115.91 3ih1 n VAL 168 Ca 0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 3ih1 n VAL 168 Cb 0.15 0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 3ih1 n VAL 168 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3ih1 n GLU 169 N -0.92 2.43 0.00 1.45 1.02 0.31 -5.10 120.64 119.84 3ih1 n GLU 169 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3ih1 n GLU 169 Cb 0.01 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3ih1 n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ih1 n GLY 170 N 1.99 2.87 0.40 0.62 0.00 -0.58 -4.72 105.19 105.76 3ih1 n GLY 170 Ca 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 3ih1 n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ih1 h LEU 171 N 0.00 -0.99 -2.03 0.99 5.85 -1.85 -1.16 115.31 116.12 3ih1 h LEU 171 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3ih1 h LEU 171 Cb 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3ih1 h LEU 171 CO 0.00 -0.56 0.10 0.44 -0.34 0.00 0.00 178.44 178.07 3ih1 h ASP 172 N -0.89 0.00 -0.06 1.25 3.32 -1.97 0.16 116.42 118.24 3ih1 h ASP 172 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ih1 h ASP 172 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3ih1 h ASP 172 CO 0.05 0.00 0.03 -0.08 -1.72 0.00 0.00 179.24 177.52 3ih1 h GLU 173 N 0.00 0.08 -0.68 3.56 4.57 -1.77 -1.38 114.58 118.96 3ih1 h GLU 173 Ca 0.06 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3ih1 h GLU 173 Cb 0.26 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3ih1 h GLU 173 CO -0.00 0.16 0.42 0.00 -1.18 0.00 0.00 179.01 178.41 3ih1 h ALA 174 N 0.92 0.87 -0.92 2.92 0.00 0.24 -1.39 119.26 121.89 3ih1 h ALA 174 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ih1 h ALA 174 Cb 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3ih1 h ALA 174 CO -0.00 0.33 0.60 0.82 0.00 0.00 0.00 179.25 181.00 3ih1 h ILE 175 N 0.93 1.17 0.45 0.00 2.04 -0.95 0.17 117.51 121.31 3ih1 h ILE 175 Ca 0.25 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3ih1 h ILE 175 Cb -0.05 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 35.92 3ih1 h ILE 175 CO -0.05 0.22 -0.21 -0.33 0.00 0.00 0.00 178.15 177.77 3ih1 h GLU 176 N 1.18 -0.58 -0.40 2.37 4.39 -0.81 -1.94 114.58 118.79 3ih1 h GLU 176 Ca 0.36 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.18 3ih1 h GLU 176 Cb -0.03 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 3ih1 h GLU 176 CO -0.11 -0.29 -0.32 0.00 -1.16 0.00 0.00 179.01 177.13 3ih1 h ARG 177 N -0.83 -0.24 -0.40 2.33 3.08 -1.05 -2.37 114.38 114.89 3ih1 h ARG 177 Ca -0.06 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.09 3ih1 h ARG 177 Cb 0.56 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 3ih1 h ARG 177 CO 0.10 -0.16 -0.27 0.00 -1.07 0.00 0.00 179.97 178.57 3ih1 h ALA 178 N 0.77 -0.05 0.00 0.04 0.00 -0.57 -0.39 119.26 119.06 3ih1 h ALA 178 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ih1 h ALA 178 Cb 0.53 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ih1 h ALA 178 CO -0.54 -0.65 -0.10 -0.91 0.00 0.00 0.00 179.25 177.06 3ih1 h ASN 179 N -0.20 0.00 0.08 0.00 2.35 -1.00 -1.38 115.58 115.43 3ih1 h ASN 179 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3ih1 h ASN 179 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3ih1 h ASN 179 CO -0.51 0.10 -0.04 0.00 -1.65 0.00 0.00 177.43 175.32 3ih1 h ALA 180 N 1.90 -0.11 -0.56 -0.83 0.00 -0.60 -2.41 119.26 116.65 3ih1 h ALA 180 Ca -0.00 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3ih1 h ALA 180 Cb 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ih1 h ALA 180 CO 0.01 -0.30 0.38 1.88 0.00 0.00 0.00 179.25 181.22 3ih1 h TYR 181 N -0.63 0.40 0.12 0.00 0.05 -0.79 -1.19 116.97 114.92 3ih1 h TYR 181 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3ih1 h TYR 181 Cb 0.52 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3ih1 h TYR 181 CO 0.09 0.19 -0.06 0.28 -1.05 0.00 0.00 178.16 177.61 3ih1 h VAL 182 N 0.38 1.05 0.00 -2.88 2.07 -1.25 -0.42 116.25 115.19 3ih1 h VAL 182 Ca 0.26 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3ih1 h VAL 182 Cb 0.52 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3ih1 h VAL 182 CO -0.07 0.18 -0.05 0.07 0.02 0.00 0.00 177.57 177.72 3ih1 h LYS 183 N -0.53 0.00 0.00 1.57 2.10 -0.88 -1.11 116.57 117.72 3ih1 h LYS 183 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3ih1 h LYS 183 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 3ih1 h LYS 183 CO 0.03 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.53 3ih1 h ALA 184 N 1.95 1.00 0.00 0.07 0.00 -1.06 -3.46 119.26 117.75 3ih1 h ALA 184 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ih1 h ALA 184 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ih1 h ALA 184 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3ih1 n GLY 185 N 0.98 0.40 3.77 0.00 0.00 -0.43 -4.27 105.19 105.65 3ih1 n GLY 185 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3ih1 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih1 s ALA 186 N -0.04 3.58 -0.40 4.61 0.00 -0.19 -4.75 121.76 124.56 3ih1 s ALA 186 Ca 0.00 1.47 0.23 0.00 0.00 0.00 0.00 51.96 53.66 3ih1 s ALA 186 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3ih1 s ALA 186 CO 0.00 -0.92 0.95 -0.25 0.00 0.00 0.00 175.76 175.54 3ih1 n ASP 187 N 0.88 0.58 -3.55 0.00 8.00 0.39 -4.51 116.55 118.34 3ih1 n ASP 187 Ca 0.02 -0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3ih1 n ASP 187 Cb 0.40 0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 42.34 3ih1 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 s ALA 188 N -3.30 -1.30 -0.06 2.24 0.00 -1.03 -4.09 121.76 114.22 3ih1 s ALA 188 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3ih1 s ALA 188 Cb 0.13 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 3ih1 s ALA 188 CO 0.81 -0.59 -0.22 0.42 0.00 0.00 0.00 175.76 176.19 3ih1 s ILE 189 N -3.03 1.80 -0.58 0.00 -1.09 -0.31 -1.57 121.20 116.41 3ih1 s ILE 189 Ca -0.02 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.39 3ih1 s ILE 189 Cb -0.00 -1.54 0.15 0.00 -1.58 0.00 0.00 42.46 39.49 3ih1 s ILE 189 CO -0.06 0.51 0.46 0.12 -1.23 0.00 0.00 174.94 174.73 3ih1 s PHE 190 N -0.02 3.49 -0.71 3.97 2.19 -0.09 -0.45 117.98 126.36 3ih1 s PHE 190 Ca -0.06 -2.10 -0.22 0.00 0.33 0.00 0.00 56.93 54.88 3ih1 s PHE 190 Cb -0.13 -3.50 0.07 0.00 -1.31 0.00 0.00 43.02 38.15 3ih1 s PHE 190 CO 0.04 -0.96 1.02 -1.25 1.83 0.00 0.00 175.22 175.90 3ih1 s PRO 191 N 0.77 3.19 0.18 10.12 0.05 -1.26 -1.89 135.00 146.16 3ih1 s PRO 191 Ca 0.11 -0.92 -0.31 0.00 0.05 0.00 0.00 61.00 59.92 3ih1 s PRO 191 Cb -0.22 -4.35 -0.11 0.00 0.05 0.00 0.00 34.50 29.88 3ih1 s PRO 191 CO -0.03 -1.85 1.59 -2.00 0.05 0.00 0.00 177.00 174.77 3ih1 s GLU 192 N 4.04 4.19 -1.23 4.56 2.56 -0.90 -3.79 118.70 128.13 3ih1 s GLU 192 Ca 0.25 2.42 -0.08 0.00 0.00 0.00 0.00 54.97 57.56 3ih1 s GLU 192 Cb -0.14 -3.13 -0.01 0.00 2.00 0.00 0.00 34.13 32.85 3ih1 s GLU 192 CO 0.07 -0.63 0.72 0.00 -0.56 0.00 0.00 175.26 174.87 3ih1 n ALA 193 N 3.79 -2.26 -1.63 6.30 0.00 -1.26 -4.58 120.51 120.88 3ih1 n ALA 193 Ca 0.14 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3ih1 n ALA 193 Cb 0.38 -3.10 0.03 0.00 0.00 0.00 0.00 19.45 16.76 3ih1 n ALA 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ih1 s LEU 194 N -6.49 3.56 0.00 0.00 1.43 -1.25 -4.61 118.68 111.32 3ih1 s LEU 194 Ca 0.22 2.14 0.13 0.00 -1.03 0.00 0.00 54.13 55.59 3ih1 s LEU 194 Cb -0.07 -4.57 0.33 0.00 0.03 0.00 0.00 46.19 41.91 3ih1 s LEU 194 CO 0.83 -1.51 1.26 0.00 0.23 0.00 0.00 176.35 177.15 3ih1 n GLN 195 N -1.90 2.59 0.00 1.70 6.02 -1.26 -4.98 117.38 119.55 3ih1 n GLN 195 Ca 0.11 -2.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.06 3ih1 n GLN 195 Cb 0.51 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.46 3ih1 n GLN 195 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3ih1 n SER 196 N 0.72 0.00 -0.28 1.08 3.41 -1.26 -4.97 113.62 112.31 3ih1 n SER 196 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.85 3ih1 n SER 196 Cb 0.44 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.65 3ih1 n SER 196 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3ih1 h GLU 197 N 0.00 0.28 -0.22 4.33 4.81 -1.99 -0.97 114.58 120.82 3ih1 h GLU 197 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3ih1 h GLU 197 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3ih1 h GLU 197 CO 0.00 0.19 -0.26 1.05 -0.73 0.00 0.00 179.01 179.25 3ih1 h GLU 198 N 0.29 0.42 -0.28 1.92 4.11 -1.99 -1.32 114.58 117.74 3ih1 h GLU 198 Ca 0.51 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 59.64 3ih1 h GLU 198 Cb 0.96 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3ih1 h GLU 198 CO -0.57 0.66 -0.40 0.93 0.07 0.00 0.00 179.01 179.70 3ih1 h GLU 199 N 0.37 0.66 0.85 1.06 5.08 -1.67 -0.40 114.58 120.54 3ih1 h GLU 199 Ca 0.05 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3ih1 h GLU 199 Cb 0.66 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.93 3ih1 h GLU 199 CO 0.05 0.94 -0.41 0.74 -1.00 0.00 0.00 179.01 179.33 3ih1 h PHE 200 N 0.54 -1.06 -0.80 4.33 0.04 -0.80 0.13 116.94 119.32 3ih1 h PHE 200 Ca 0.05 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3ih1 h PHE 200 Cb 0.92 0.35 -0.05 0.00 2.20 0.00 0.00 35.95 39.38 3ih1 h PHE 200 CO 0.04 -0.66 0.53 0.00 -0.60 0.00 0.00 178.31 177.62 3ih1 h ARG 201 N -1.21 0.92 -0.26 1.51 3.08 -1.27 -0.12 114.38 117.03 3ih1 h ARG 201 Ca -0.12 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.70 3ih1 h ARG 201 Cb 0.89 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3ih1 h ARG 201 CO 0.19 0.61 -0.53 1.25 -1.07 0.00 0.00 179.97 180.42 3ih1 h LEU 202 N 0.95 0.92 -0.22 3.04 5.85 -0.98 -1.53 115.31 123.33 3ih1 h LEU 202 Ca 0.33 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3ih1 h LEU 202 Cb 0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3ih1 h LEU 202 CO -0.10 1.29 0.04 0.15 -0.34 0.00 0.00 178.44 179.48 3ih1 h PHE 203 N 0.58 0.39 -0.92 1.25 3.57 -0.16 -1.62 116.94 120.03 3ih1 h PHE 203 Ca 0.01 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.58 3ih1 h PHE 203 Cb 1.14 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 3ih1 h PHE 203 CO 0.08 0.50 0.54 -0.97 -2.23 0.00 0.00 178.31 176.23 3ih1 h ASN 204 N 0.17 0.75 0.35 0.41 -1.24 -1.05 -0.77 115.58 114.19 3ih1 h ASN 204 Ca 0.07 0.07 -0.11 0.00 0.71 0.00 0.00 56.30 57.03 3ih1 h ASN 204 Cb 0.32 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 3ih1 h ASN 204 CO 0.00 0.37 -0.46 -1.28 -1.29 0.00 0.00 177.43 174.77 3ih1 h SER 205 N 0.82 0.15 -0.01 1.15 0.87 -0.73 -3.15 113.55 112.64 3ih1 h SER 205 Ca 0.48 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3ih1 h SER 205 Cb 0.56 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3ih1 h SER 205 CO -0.30 0.59 -0.39 1.17 -0.53 0.00 0.00 176.83 177.37 3ih1 n LYS 206 N -3.98 1.51 -4.89 2.24 3.00 -0.66 -4.92 118.16 110.46 3ih1 n LYS 206 Ca -0.02 -0.86 -0.33 0.00 -0.00 0.00 0.00 58.31 57.11 3ih1 n LYS 206 Cb 0.50 -1.35 -0.15 0.00 0.00 0.00 0.00 35.03 34.04 3ih1 n LYS 206 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3ih1 s VAL 207 N -2.11 2.84 -1.21 3.15 1.01 -0.33 -4.96 120.40 118.78 3ih1 s VAL 207 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3ih1 s VAL 207 Cb 0.15 -2.16 0.21 0.00 0.00 0.00 0.00 36.38 34.58 3ih1 s VAL 207 CO 0.47 0.54 1.79 -0.46 0.00 0.00 0.00 175.10 177.44 3ih1 n ASN 208 N 3.33 5.74 -3.61 3.32 6.94 -1.26 -4.80 115.26 124.91 3ih1 n ASN 208 Ca -0.18 -3.22 -0.02 0.00 -0.02 0.00 0.00 54.58 51.13 3ih1 n ASN 208 Cb 0.53 -1.40 -0.02 0.00 -2.36 0.00 0.00 39.78 36.53 3ih1 n ASN 208 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ih1 s ALA 209 N -0.83 -2.18 0.56 -2.53 0.00 -1.26 -5.04 121.76 110.48 3ih1 s ALA 209 Ca 0.38 1.55 -0.20 0.00 0.00 0.00 0.00 51.96 53.69 3ih1 s ALA 209 Cb 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3ih1 s ALA 209 CO 0.03 -0.67 1.24 -2.14 0.00 0.00 0.00 175.76 174.21 3ih1 s PRO 210 N -2.24 3.15 0.05 0.00 0.02 -1.26 -4.82 135.00 129.91 3ih1 s PRO 210 Ca 0.11 1.92 0.07 0.00 0.02 0.00 0.00 61.00 63.12 3ih1 s PRO 210 Cb 0.01 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 3ih1 s PRO 210 CO -0.04 -1.09 -0.15 -0.51 -0.33 0.00 0.00 177.00 174.89 3ih1 s LEU 211 N -3.74 2.79 -0.07 -5.54 1.43 -1.26 -1.17 118.68 111.12 3ih1 s LEU 211 Ca 0.73 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3ih1 s LEU 211 Cb -0.33 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3ih1 s LEU 211 CO 0.37 0.24 -0.00 -0.22 0.23 0.00 0.00 176.35 176.97 3ih1 s LEU 212 N -1.62 3.53 -0.09 1.79 0.20 0.40 -2.10 118.68 120.79 3ih1 s LEU 212 Ca 0.16 0.10 0.01 0.00 0.69 0.00 0.00 54.13 55.09 3ih1 s LEU 212 Cb -0.11 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 3ih1 s LEU 212 CO 0.07 0.36 -0.12 0.00 -0.29 0.00 0.00 176.35 176.37 3ih1 s ALA 213 N -0.92 2.72 0.57 5.97 0.00 -1.26 -4.18 121.76 124.66 3ih1 s ALA 213 Ca 0.15 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.27 3ih1 s ALA 213 Cb -0.11 -1.16 0.08 0.00 0.00 0.00 0.00 23.12 21.93 3ih1 s ALA 213 CO 0.04 0.40 0.78 1.21 0.00 0.00 0.00 175.76 178.20 3ih1 s ASN 214 N -0.20 5.10 0.00 0.00 3.04 -1.26 -1.12 114.94 120.49 3ih1 s ASN 214 Ca 0.01 -0.71 0.00 0.00 0.04 0.00 0.00 52.86 52.20 3ih1 s ASN 214 Cb -0.13 0.10 0.00 0.00 -1.54 0.00 0.00 41.25 39.68 3ih1 s ASN 214 CO 0.03 -1.32 0.00 1.07 -3.04 0.00 0.00 177.10 173.84 3ih1 n THR 216 N -2.26 0.00 -2.51 -5.21 5.66 -1.26 -4.87 114.28 103.83 3ih1 n THR 216 Ca 0.14 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.80 3ih1 n THR 216 Cb 0.61 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 3ih1 n THR 216 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3ih1 s GLU 217 N -4.94 3.77 -1.59 1.09 8.01 -1.26 -3.76 118.70 120.02 3ih1 s GLU 217 Ca 0.00 1.39 -0.03 0.00 0.01 0.00 0.00 54.97 56.35 3ih1 s GLU 217 Cb 0.00 -2.10 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 3ih1 s GLU 217 CO 0.00 -0.47 0.37 1.19 0.01 0.00 0.00 175.26 176.36 3ih1 n PHE 218 N -0.97 -1.54 -3.72 1.61 3.72 -1.26 -4.98 117.46 110.32 3ih1 n PHE 218 Ca 0.09 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 3ih1 n PHE 218 Cb 0.52 -4.19 0.00 0.00 -0.94 0.00 0.00 39.48 34.87 3ih1 n PHE 218 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ih1 n GLY 219 N -1.32 5.02 0.14 1.37 0.00 -1.25 -5.01 105.19 104.15 3ih1 n GLY 219 Ca -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3ih1 n GLY 219 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ih1 n LYS 220 N -0.02 0.86 -4.92 1.61 4.76 -1.26 -4.72 118.16 114.47 3ih1 n LYS 220 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3ih1 n LYS 220 Cb 0.00 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 3ih1 n LYS 220 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3ih1 s THR 221 N -1.71 1.58 0.79 -0.18 2.01 -1.26 -4.94 115.64 111.93 3ih1 s THR 221 Ca 0.00 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 3ih1 s THR 221 Cb 0.00 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.21 3ih1 s THR 221 CO 0.00 0.45 1.11 -2.84 -0.69 0.00 0.00 174.62 172.65 3ih1 s PRO 222 N 0.17 2.14 -1.32 4.92 0.02 -1.26 -4.85 135.00 134.82 3ih1 s PRO 222 Ca -0.08 0.53 -0.10 0.00 0.02 0.00 0.00 61.00 61.37 3ih1 s PRO 222 Cb -0.14 -1.93 0.14 0.00 0.02 0.00 0.00 34.50 32.59 3ih1 s PRO 222 CO 0.04 -1.55 2.00 0.66 -0.33 0.00 0.00 177.00 177.82 3ih1 n TYR 223 N -3.37 2.97 -2.37 6.54 4.02 -1.26 -4.95 117.16 118.74 3ih1 n TYR 223 Ca 0.07 -2.82 -0.35 0.00 -0.01 0.00 0.00 57.90 54.79 3ih1 n TYR 223 Cb 0.57 -2.05 -0.01 0.00 -0.02 0.00 0.00 39.34 37.83 3ih1 n TYR 223 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3ih1 s TYR 224 N 0.74 2.81 0.97 -0.72 1.51 -1.26 -5.06 117.35 116.34 3ih1 s TYR 224 Ca 0.43 1.56 -0.15 0.00 -1.01 0.00 0.00 57.07 57.89 3ih1 s TYR 224 Cb 0.11 -3.19 0.18 0.00 -0.11 0.00 0.00 41.96 38.95 3ih1 s TYR 224 CO -0.02 -1.26 1.21 -1.54 -1.11 0.00 0.00 175.55 172.83 3ih1 s SER 225 N -1.89 3.01 0.19 2.29 1.04 -1.26 -4.85 113.70 112.23 3ih1 s SER 225 Ca 0.70 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.67 3ih1 s SER 225 Cb -0.20 -0.91 0.09 0.00 0.10 0.00 0.00 66.02 65.10 3ih1 s SER 225 CO 0.24 -2.83 1.57 0.00 0.98 0.00 0.00 173.24 173.21 3ih1 h ALA 226 N -1.70 0.76 -0.74 5.32 0.00 -1.99 -1.74 119.26 119.18 3ih1 h ALA 226 Ca -0.46 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.05 3ih1 h ALA 226 Cb 1.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3ih1 h ALA 226 CO 0.48 0.66 0.49 1.49 0.00 0.00 0.00 179.25 182.37 3ih1 h GLU 227 N 0.72 0.98 0.48 0.00 4.57 -1.98 -0.34 114.58 119.01 3ih1 h GLU 227 Ca 0.08 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3ih1 h GLU 227 Cb 0.83 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ih1 h GLU 227 CO 0.07 0.65 -0.26 0.93 -1.18 0.00 0.00 179.01 179.22 3ih1 h GLU 228 N 1.00 -0.66 -0.99 1.92 5.08 -1.87 -2.30 114.58 116.76 3ih1 h GLU 228 Ca 0.27 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.88 3ih1 h GLU 228 Cb -0.11 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 3ih1 h GLU 228 CO -0.06 -0.44 0.62 0.74 -1.00 0.00 0.00 179.01 178.87 3ih1 h PHE 229 N -0.68 0.92 -0.50 4.33 0.05 -1.16 -2.94 116.94 116.96 3ih1 h PHE 229 Ca -0.06 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.68 3ih1 h PHE 229 Cb 0.54 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.20 3ih1 h PHE 229 CO -0.06 0.18 -0.00 0.00 -0.18 0.00 0.00 178.31 178.25 3ih1 h ALA 230 N 1.64 0.68 -0.16 2.45 0.00 -0.50 -1.54 119.26 121.82 3ih1 h ALA 230 Ca 0.57 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 3ih1 h ALA 230 Cb 1.06 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 3ih1 h ALA 230 CO -0.34 0.49 0.10 0.27 0.00 0.00 0.00 179.25 179.77 3ih1 n ASN 231 N -4.31 5.82 -0.24 0.00 0.23 -1.01 -3.84 115.26 111.90 3ih1 n ASN 231 Ca 0.01 -2.70 0.05 0.00 -0.53 0.00 0.00 54.58 51.40 3ih1 n ASN 231 Cb 0.32 -1.37 0.07 0.00 -2.08 0.00 0.00 39.78 36.71 3ih1 n ASN 231 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ih1 n GLY 233 N 2.08 2.57 3.70 4.83 0.00 -0.91 -5.06 105.19 112.41 3ih1 n GLY 233 Ca 0.47 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3ih1 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ih1 s PHE 234 N -1.43 2.99 -0.14 1.61 0.08 -0.63 -4.53 117.98 115.93 3ih1 s PHE 234 Ca 0.15 -0.04 0.15 0.00 0.12 0.00 0.00 56.93 57.31 3ih1 s PHE 234 Cb 0.13 -1.50 0.32 0.00 -0.57 0.00 0.00 43.02 41.41 3ih1 s PHE 234 CO 0.01 0.50 1.17 1.04 -0.10 0.00 0.00 175.22 177.84 3ih1 n GLN 235 N 0.27 1.23 -3.64 0.44 6.02 -0.89 -4.22 117.38 116.59 3ih1 n GLN 235 Ca -0.10 -2.70 -0.05 0.00 -0.01 0.00 0.00 57.00 54.13 3ih1 n GLN 235 Cb 0.53 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 3ih1 n GLN 235 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ih1 s VAL 237 N -2.64 0.00 -0.04 5.09 0.11 0.42 -2.08 120.40 121.25 3ih1 s VAL 237 Ca 0.32 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.35 3ih1 s VAL 237 Cb 0.30 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3ih1 s VAL 237 CO -0.02 0.00 0.06 0.27 -3.33 0.00 0.00 175.10 172.08 3ih1 s ILE 238 N 0.58 4.70 -0.72 7.04 -4.36 -0.27 0.04 121.20 128.20 3ih1 s ILE 238 Ca -0.00 -0.28 0.04 0.00 -0.26 0.00 0.00 60.65 60.15 3ih1 s ILE 238 Cb -0.04 -3.08 0.18 0.00 1.25 0.00 0.00 42.46 40.76 3ih1 s ILE 238 CO -0.11 0.46 0.54 -1.22 0.24 0.00 0.00 174.94 174.85 3ih1 n TYR 239 N 1.58 3.38 -0.10 1.37 4.01 -0.69 -4.34 117.16 122.37 3ih1 n TYR 239 Ca -0.16 -4.29 -0.13 0.00 -0.16 0.00 0.00 57.90 53.16 3ih1 n TYR 239 Cb 0.53 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.85 3ih1 n TYR 239 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3ih1 h PRO 240 N 5.37 0.72 -0.00 -0.72 0.11 -1.92 0.26 132.00 135.82 3ih1 h PRO 240 Ca 0.15 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ih1 h PRO 240 Cb 0.75 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3ih1 h PRO 240 CO 0.74 1.00 -0.03 0.28 -0.21 0.00 0.00 178.00 179.78 3ih1 n VAL 241 N -4.25 0.00 -0.23 3.15 0.31 -1.26 -4.18 118.33 111.87 3ih1 n VAL 241 Ca -0.04 -0.49 0.01 0.00 -0.01 0.00 0.00 64.34 63.81 3ih1 n VAL 241 Cb 0.47 1.04 0.12 0.00 -0.91 0.00 0.00 33.84 34.57 3ih1 n VAL 241 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ih1 h THR 242 N 0.35 0.81 -0.97 2.52 2.02 -1.89 -1.95 112.91 113.80 3ih1 h THR 242 Ca 0.00 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.11 3ih1 h THR 242 Cb 0.09 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 3ih1 h THR 242 CO 0.00 0.09 0.62 0.77 0.37 0.00 0.00 175.52 177.37 3ih1 h SER 243 N 0.52 0.90 0.95 4.18 4.64 -1.84 -1.49 113.55 121.41 3ih1 h SER 243 Ca 0.33 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.48 3ih1 h SER 243 Cb 0.37 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3ih1 h SER 243 CO -0.28 0.51 -1.11 0.25 -0.87 0.00 0.00 176.83 175.32 3ih1 h LEU 244 N 0.98 0.00 -0.19 5.97 6.46 -1.75 -2.79 115.31 123.99 3ih1 h LEU 244 Ca 0.46 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.21 3ih1 h LEU 244 Cb 0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3ih1 h LEU 244 CO -0.22 0.86 0.06 0.03 -0.62 0.00 0.00 178.44 178.55 3ih1 h ARG 245 N 0.00 0.29 -0.24 1.25 3.08 -0.61 -0.89 114.38 117.26 3ih1 h ARG 245 Ca -0.09 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 3ih1 h ARG 245 Cb 1.73 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 3ih1 h ARG 245 CO 0.10 0.40 -0.47 -0.39 -1.07 0.00 0.00 179.97 178.54 3ih1 h VAL 246 N 0.13 1.30 -0.28 2.04 -1.51 -1.41 -2.56 116.25 113.97 3ih1 h VAL 246 Ca 0.06 -1.67 -0.06 0.00 -1.23 0.00 0.00 66.70 63.80 3ih1 h VAL 246 Cb 0.23 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 3ih1 h VAL 246 CO -0.00 0.53 -0.07 0.00 -1.23 0.00 0.00 177.57 176.80 3ih1 h ALA 247 N 0.98 0.38 -0.46 5.19 0.00 -1.45 -1.82 119.26 122.09 3ih1 h ALA 247 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3ih1 h ALA 247 Cb 1.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3ih1 h ALA 247 CO 0.09 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.66 3ih1 h ALA 248 N 0.78 1.36 -0.69 0.00 0.00 -1.17 -0.78 119.26 118.76 3ih1 h ALA 248 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ih1 h ALA 248 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ih1 h ALA 248 CO 0.03 0.46 0.20 -0.22 0.00 0.00 0.00 179.25 179.71 3ih1 h LYS 249 N 0.66 1.09 -0.34 0.00 1.63 -1.34 -2.91 116.57 115.36 3ih1 h LYS 249 Ca 0.15 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 3ih1 h LYS 249 Cb 0.23 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3ih1 h LYS 249 CO -0.01 0.95 -0.25 0.00 -3.45 0.00 0.00 179.45 176.70 3ih1 h ALA 250 N 1.09 0.93 0.40 5.00 0.00 -0.41 -2.34 119.26 123.92 3ih1 h ALA 250 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ih1 h ALA 250 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ih1 h ALA 250 CO -0.00 0.61 -0.25 1.88 0.00 0.00 0.00 179.25 181.49 3ih1 h TYR 251 N 0.59 -0.65 -0.55 0.00 0.05 -1.13 -2.31 116.97 112.98 3ih1 h TYR 251 Ca 0.08 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.96 3ih1 h TYR 251 Cb 0.73 0.23 -0.11 0.00 1.01 0.00 0.00 36.73 38.60 3ih1 h TYR 251 CO 0.03 -0.38 -0.28 1.49 -1.05 0.00 0.00 178.16 177.97 3ih1 h GLU 252 N -0.62 -0.14 -0.39 4.88 4.81 -1.31 0.31 114.58 122.12 3ih1 h GLU 252 Ca -0.04 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3ih1 h GLU 252 Cb 0.51 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3ih1 h GLU 252 CO 0.04 -0.09 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.28 3ih1 h ASN 253 N -0.14 0.61 0.55 1.04 2.35 -1.37 -0.38 115.58 118.23 3ih1 h ASN 253 Ca 0.24 -0.14 -0.29 0.00 -0.55 0.00 0.00 56.30 55.56 3ih1 h ASN 253 Cb 0.52 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3ih1 h ASN 253 CO -0.63 0.70 -1.56 1.62 -1.65 0.00 0.00 177.43 175.91 3ih1 h VAL 254 N 0.60 1.06 -0.31 2.81 3.04 -0.76 -2.91 116.25 119.77 3ih1 h VAL 254 Ca 0.12 -2.83 -0.10 0.00 -1.01 0.00 0.00 66.70 62.88 3ih1 h VAL 254 Cb 0.43 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 32.28 3ih1 h VAL 254 CO 0.02 0.69 -0.18 -0.26 -1.01 0.00 0.00 177.57 176.83 3ih1 h PHE 255 N 0.02 0.79 -0.55 3.17 0.04 -0.39 -1.36 116.94 118.66 3ih1 h PHE 255 Ca -0.23 -0.20 0.09 0.00 2.80 0.00 0.00 57.97 60.42 3ih1 h PHE 255 Cb 1.97 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 39.87 3ih1 h PHE 255 CO 0.02 0.91 0.14 1.15 -0.60 0.00 0.00 178.31 179.93 3ih1 h THR 256 N 0.44 0.71 -0.45 -1.55 2.02 -1.17 -1.26 112.91 111.65 3ih1 h THR 256 Ca 0.07 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3ih1 h THR 256 Cb 0.72 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3ih1 h THR 256 CO 0.05 0.05 0.17 0.25 0.37 0.00 0.00 175.52 176.41 3ih1 h LEU 257 N 0.29 0.63 -0.83 2.58 5.85 -1.35 0.25 115.31 122.73 3ih1 h LEU 257 Ca 0.28 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3ih1 h LEU 257 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3ih1 h LEU 257 CO -0.34 0.64 -0.34 0.40 -0.34 0.00 0.00 178.44 178.46 3ih1 h ILE 258 N 0.58 1.29 -0.03 4.05 2.04 -0.91 0.15 117.51 124.67 3ih1 h ILE 258 Ca 0.15 -1.44 -0.19 0.00 1.00 0.00 0.00 64.86 64.38 3ih1 h ILE 258 Cb 0.21 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ih1 h ILE 258 CO -0.01 0.45 -0.72 0.50 0.00 0.00 0.00 178.15 178.37 3ih1 h LYS 259 N 0.40 0.54 0.06 2.37 1.63 -0.98 -0.01 116.57 120.58 3ih1 h LYS 259 Ca 0.05 -0.54 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3ih1 h LYS 259 Cb 0.79 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 3ih1 h LYS 259 CO 0.06 1.17 -0.03 0.93 -3.45 0.00 0.00 179.45 178.13 3ih1 h GLU 260 N 0.13 -0.07 0.00 1.90 5.08 -0.38 -3.35 114.58 117.88 3ih1 h GLU 260 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ih1 h GLU 260 Cb 1.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3ih1 h GLU 260 CO 0.14 0.37 -0.93 0.25 -1.00 0.00 0.00 179.01 177.84 3ih1 n THR 261 N -4.91 0.00 -1.01 1.13 -2.24 0.50 -4.97 114.28 102.78 3ih1 n THR 261 Ca -0.08 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3ih1 n THR 261 Cb 0.25 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3ih1 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih1 n GLY 262 N 1.44 0.40 3.35 3.38 0.00 -0.02 -4.99 105.19 108.75 3ih1 n GLY 262 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3ih1 n GLY 262 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ih1 s SER 263 N -2.05 -0.36 -0.03 1.61 0.15 -1.23 -4.98 113.70 106.82 3ih1 s SER 263 Ca 0.00 0.14 0.21 0.00 0.70 0.00 0.00 55.95 57.01 3ih1 s SER 263 Cb 0.00 0.44 0.67 0.00 -1.71 0.00 0.00 66.02 65.42 3ih1 s SER 263 CO 0.00 -0.65 1.56 0.00 1.20 0.00 0.00 173.24 175.35 3ih1 n GLN 264 N 0.62 2.96 -0.24 5.44 0.00 -1.26 -3.79 117.38 121.12 3ih1 n GLN 264 Ca -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 57.00 54.13 3ih1 n GLN 264 Cb 0.59 -1.65 0.04 0.00 0.00 0.00 0.00 30.24 29.22 3ih1 n GLN 264 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3ih1 n LYS 265 N 1.51 -0.13 0.00 2.61 4.81 -1.26 -1.63 118.16 124.07 3ih1 n LYS 265 Ca 0.25 0.98 0.15 0.00 -0.87 0.00 0.00 58.31 58.81 3ih1 n LYS 265 Cb 0.69 -1.45 0.73 0.00 0.02 0.00 0.00 35.03 35.02 3ih1 n LYS 265 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ih1 n ASP 266 N -4.95 0.41 -0.56 3.14 8.00 -1.26 -3.47 116.55 117.86 3ih1 n ASP 266 Ca 0.07 -0.81 0.05 0.00 0.71 0.00 0.00 54.79 54.81 3ih1 n ASP 266 Cb 0.27 -0.06 0.13 0.00 -0.02 0.00 0.00 41.12 41.43 3ih1 n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 n ALA 267 N -0.84 2.19 -0.11 2.24 0.00 -0.65 -4.63 120.51 118.72 3ih1 n ALA 267 Ca 0.18 -1.08 0.10 0.00 0.00 0.00 0.00 53.44 52.64 3ih1 n ALA 267 Cb 0.23 -0.39 0.45 0.00 0.00 0.00 0.00 19.45 19.74 3ih1 n ALA 267 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ih1 h LEU 268 N 1.84 0.46 -0.87 0.00 4.07 -1.62 0.05 115.31 119.24 3ih1 h LEU 268 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ih1 h LEU 268 Cb 0.68 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.33 3ih1 h LEU 268 CO 0.00 0.28 0.00 0.28 -1.08 0.00 0.00 178.44 177.92 3ih1 h SER 269 N 0.51 0.00 -1.35 -0.43 0.02 -1.88 -3.45 113.55 106.97 3ih1 h SER 269 Ca 0.28 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.48 3ih1 h SER 269 Cb 0.44 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.84 3ih1 h SER 269 CO -0.09 0.00 2.18 0.59 -1.14 0.00 0.00 176.83 178.37 3ih1 n ASN 270 N -2.76 7.44 -4.56 3.07 5.03 0.00 -5.12 115.26 118.36 3ih1 n ASN 270 Ca 0.02 -3.20 -0.34 0.00 0.87 0.00 0.00 54.58 51.94 3ih1 n ASN 270 Cb 0.33 -1.36 -0.11 0.00 -1.02 0.00 0.00 39.78 37.62 3ih1 n ASN 270 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3ih1 s GLN 272 N -1.24 3.03 0.59 3.52 0.74 -1.26 -5.13 119.66 119.91 3ih1 s GLN 272 Ca 0.49 -0.54 -0.12 0.00 0.05 0.00 0.00 55.36 55.25 3ih1 s GLN 272 Cb 0.17 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.54 3ih1 s GLN 272 CO -0.07 0.54 1.00 0.95 -0.55 0.00 0.00 175.29 177.16 3ih1 s THR 273 N -0.47 4.69 0.58 -0.34 -4.23 -1.26 -4.88 115.64 109.72 3ih1 s THR 273 Ca 0.07 0.91 0.27 0.00 -1.18 0.00 0.00 61.69 61.76 3ih1 s THR 273 Cb -0.12 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.24 3ih1 s THR 273 CO 0.02 -1.03 2.10 0.03 -0.54 0.00 0.00 174.62 175.21 3ih1 h ARG 274 N -0.00 0.00 -0.07 3.99 3.08 -2.03 0.15 114.38 119.50 3ih1 h ARG 274 Ca -0.45 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.47 3ih1 h ARG 274 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.25 3ih1 h ARG 274 CO 0.62 0.00 -0.47 0.77 -1.07 0.00 0.00 179.97 179.82 3ih1 h SER 275 N 0.00 0.53 -0.10 7.04 0.02 -1.99 0.17 113.55 119.23 3ih1 h SER 275 Ca 0.09 -0.67 -0.10 0.00 -0.84 0.00 0.00 61.79 60.27 3ih1 h SER 275 Cb 0.48 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3ih1 h SER 275 CO -0.00 1.12 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.23 3ih1 h GLU 276 N -0.02 0.54 -0.06 3.45 5.08 -1.61 -2.47 114.58 119.50 3ih1 h GLU 276 Ca -0.04 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3ih1 h GLU 276 Cb 1.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ih1 h GLU 276 CO 0.10 0.75 -0.01 1.25 -1.00 0.00 0.00 179.01 180.09 3ih1 h LEU 277 N 0.48 0.11 -0.71 1.33 5.85 -0.70 0.37 115.31 122.04 3ih1 h LEU 277 Ca 0.07 -0.37 0.16 0.00 0.84 0.00 0.00 57.88 58.58 3ih1 h LEU 277 Cb 0.69 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 3ih1 h LEU 277 CO 0.05 0.45 0.05 0.22 -0.34 0.00 0.00 178.44 178.88 3ih1 h TYR 278 N -0.23 0.05 0.00 1.25 3.20 -0.50 -0.93 116.97 119.81 3ih1 h TYR 278 Ca 0.01 0.05 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 3ih1 h TYR 278 Cb 0.40 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3ih1 h TYR 278 CO 0.05 -0.17 -0.85 1.49 -1.64 0.00 0.00 178.16 177.04 3ih1 h GLU 279 N 0.15 0.00 -0.22 1.82 4.57 -1.37 0.43 114.58 119.96 3ih1 h GLU 279 Ca 0.39 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.46 3ih1 h GLU 279 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3ih1 h GLU 279 CO -0.58 0.68 -0.27 1.15 -1.18 0.00 0.00 179.01 178.82 3ih1 h THR 280 N 0.00 1.33 -0.34 0.32 2.02 0.20 -2.73 112.91 113.71 3ih1 h THR 280 Ca -0.04 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.69 3ih1 h THR 280 Cb 1.59 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 3ih1 h THR 280 CO 0.09 0.45 0.00 2.30 0.37 0.00 0.00 175.52 178.73 3ih1 n ILE 281 N -4.36 1.34 -3.48 3.11 -5.35 -0.46 -4.92 119.36 105.24 3ih1 n ILE 281 Ca -0.05 -0.74 -0.25 0.00 -0.27 0.00 0.00 62.75 61.44 3ih1 n ILE 281 Cb 0.45 -0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.13 3ih1 n ILE 281 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3ih1 n SER 282 N 0.43 -4.49 -0.28 7.28 7.64 -1.03 -4.84 113.62 118.33 3ih1 n SER 282 Ca 0.15 -0.50 0.10 0.00 1.01 0.00 0.00 58.87 59.64 3ih1 n SER 282 Cb 0.69 -3.65 0.26 0.00 -1.01 0.00 0.00 64.21 60.50 3ih1 n SER 282 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3ih1 h TYR 283 N -1.38 0.40 -0.79 1.43 3.20 -1.19 -1.13 116.97 117.51 3ih1 h TYR 283 Ca -0.50 0.05 0.15 0.00 3.14 0.00 0.00 58.73 61.57 3ih1 h TYR 283 Cb 1.33 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.46 3ih1 h TYR 283 CO 0.61 -0.12 0.34 1.25 -1.64 0.00 0.00 178.16 178.60 3ih1 h HIS 284 N 0.28 0.59 0.00 -3.82 2.76 -1.89 -2.18 115.15 110.90 3ih1 h HIS 284 Ca 0.51 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 3ih1 h HIS 284 Cb 0.96 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.77 3ih1 h HIS 284 CO -0.23 0.09 0.00 -0.44 -1.30 0.00 0.00 177.93 176.04 3ih1 h ASP 285 N 0.49 0.00 0.06 3.26 5.19 -1.58 -1.66 116.42 122.17 3ih1 h ASP 285 Ca 0.44 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.70 3ih1 h ASP 285 Cb 0.67 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.19 3ih1 h ASP 285 CO -0.40 0.00 -0.62 -0.26 -3.12 0.00 0.00 179.24 174.84 3ih1 h PHE 286 N 0.00 0.50 -0.39 4.55 0.04 -1.44 -3.01 116.94 117.19 3ih1 h PHE 286 Ca 0.00 -0.32 0.06 0.00 2.80 0.00 0.00 57.97 60.52 3ih1 h PHE 286 Cb 0.43 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 3ih1 h PHE 286 CO 0.00 1.18 0.05 0.93 -0.60 0.00 0.00 178.31 179.87 3ih1 h GLU 287 N -0.32 0.16 0.00 1.51 5.08 -1.29 0.81 114.58 120.54 3ih1 h GLU 287 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3ih1 h GLU 287 Cb 1.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3ih1 h GLU 287 CO 0.12 0.11 0.00 1.05 -1.00 0.00 0.00 179.01 179.28 3ih1 h GLU 288 N 0.16 0.00 0.05 2.33 4.11 -1.43 -1.76 114.58 118.04 3ih1 h GLU 288 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 3ih1 h GLU 288 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ih1 h GLU 288 CO -0.28 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 180.03 3ih1 h LEU 289 N 0.00 -0.06 -1.71 3.06 5.85 -0.78 -2.73 115.31 118.94 3ih1 h LEU 289 Ca 0.00 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 3ih1 h LEU 289 Cb 0.26 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ih1 h LEU 289 CO 0.00 0.67 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.86 3ih1 h ASP 290 N -0.87 0.02 0.65 1.25 3.58 -0.46 -1.86 116.42 118.74 3ih1 h ASP 290 Ca -0.01 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 3ih1 h ASP 290 Cb 0.66 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 3ih1 h ASP 290 CO 0.01 0.15 -1.48 0.41 -2.88 0.00 0.00 179.24 175.45 3ih1 n THR 291 N -4.38 1.30 -0.10 2.25 -1.04 -0.72 -2.24 114.28 109.36 3ih1 n THR 291 Ca -0.02 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.05 61.18 3ih1 n THR 291 Cb 0.20 -0.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.88 3ih1 n THR 291 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3ih1 h GLY 292 N 3.66 0.46 1.46 3.41 0.00 -1.14 -2.90 103.07 108.02 3ih1 h GLY 292 Ca -0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3ih1 h GLY 292 CO 0.05 0.19 -0.15 -2.22 0.00 0.00 0.00 176.54 174.41 3ih1 h ILE 293 N 0.41 1.25 0.00 2.60 1.08 -1.43 -3.16 117.51 118.26 3ih1 h ILE 293 Ca 0.11 -1.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 3ih1 h ILE 293 Cb 0.02 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3ih1 h ILE 293 CO -0.02 0.39 -0.01 0.00 -0.69 0.00 0.00 178.15 177.82 3ih1 h ALA 294 N 1.26 1.01 0.00 1.87 0.00 -1.25 -3.52 119.26 118.64 3ih1 h ALA 294 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ih1 h ALA 294 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ih1 h ALA 294 CO 0.04 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.93