#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsi h LYS 5 N 0.00 0.45 -0.24 1.20 2.10 -2.04 0.12 116.57 118.15 3hsi h LYS 5 Ca 0.00 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.46 3hsi h LYS 5 Cb 0.00 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 3hsi h LYS 5 CO 0.00 0.38 -0.39 1.15 -2.00 0.00 0.00 179.45 178.59 3hsi h THR 6 N 0.45 1.31 -0.14 0.07 2.02 -1.99 -1.27 112.91 113.36 3hsi h THR 6 Ca 0.11 -1.60 -0.15 0.00 0.77 0.00 0.00 66.41 65.54 3hsi h THR 6 Cb 0.11 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3hsi h THR 6 CO -0.01 0.50 -0.56 0.11 0.37 0.00 0.00 175.52 175.93 3hsi h LYS 7 N 0.41 0.43 -0.34 6.66 1.57 -1.90 -2.40 116.57 121.00 3hsi h LYS 7 Ca 0.02 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3hsi h LYS 7 Cb 0.99 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3hsi h LYS 7 CO 0.09 0.88 0.22 -0.09 -0.57 0.00 0.00 179.45 179.98 3hsi h ARG 8 N 0.33 0.40 -0.10 3.15 2.43 -0.66 -2.34 114.38 117.59 3hsi h ARG 8 Ca 0.00 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 3hsi h ARG 8 Cb 1.09 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3hsi h ARG 8 CO 0.10 0.27 -0.48 0.00 -1.51 0.00 0.00 179.97 178.35 3hsi h ALA 9 N 1.80 0.20 -0.33 2.80 0.00 -0.82 -1.47 119.26 121.44 3hsi h ALA 9 Ca 0.13 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3hsi h ALA 9 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hsi h ALA 9 CO -0.03 0.37 0.14 1.49 0.00 0.00 0.00 179.25 181.21 3hsi h GLU 10 N 0.10 0.29 -0.35 0.00 4.81 -1.24 -1.14 114.58 117.04 3hsi h GLU 10 Ca -0.03 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3hsi h GLU 10 Cb 1.12 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 3hsi h GLU 10 CO 0.10 0.19 0.07 1.96 -0.73 0.00 0.00 179.01 180.59 3hsi h GLN 11 N 0.29 0.18 -0.53 1.92 4.20 -1.41 -0.28 115.11 119.48 3hsi h GLN 11 Ca 0.14 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3hsi h GLN 11 Cb 0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3hsi h GLN 11 CO -0.13 0.12 0.27 -0.91 -0.67 0.00 0.00 178.83 177.51 3hsi h ASN 12 N 0.18 0.69 -0.29 1.46 2.35 -1.00 -1.82 115.58 117.16 3hsi h ASN 12 Ca 0.17 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3hsi h ASN 12 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3hsi h ASN 12 CO -0.22 0.61 0.12 -0.07 -1.65 0.00 0.00 177.43 176.21 3hsi h LEU 13 N 0.71 0.39 -2.01 1.61 3.38 -1.00 -2.62 115.31 115.77 3hsi h LEU 13 Ca 0.18 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hsi h LEU 13 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hsi h LEU 13 CO -0.03 0.45 0.12 0.78 0.09 0.00 0.00 178.44 179.85 3hsi h ASN 14 N 0.31 0.00 0.91 -0.43 2.35 -0.86 -1.95 115.58 115.91 3hsi h ASN 14 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hsi h ASN 14 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3hsi h ASN 14 CO -0.01 0.00 -0.13 0.59 -1.65 0.00 0.00 177.43 176.23 3hsi n ASN 15 N -4.48 0.19 -4.78 5.81 3.02 -0.70 -4.05 115.26 110.27 3hsi n ASN 15 Ca 0.01 0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 3hsi n ASN 15 Cb 0.25 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3hsi n ASN 15 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hsi s LEU 16 N -3.13 4.32 0.22 3.41 1.43 -0.74 -4.93 118.68 119.26 3hsi s LEU 16 Ca 0.13 3.03 -0.19 0.00 -1.03 0.00 0.00 54.13 56.07 3hsi s LEU 16 Cb 0.18 -3.67 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3hsi s LEU 16 CO 0.58 -0.86 0.72 -2.16 0.23 0.00 0.00 176.35 174.86 3hsi s PRO 17 N -2.08 4.23 0.00 1.29 0.04 -1.26 -4.36 135.00 132.86 3hsi s PRO 17 Ca 0.53 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3hsi s PRO 17 Cb -0.46 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 3hsi s PRO 17 CO 0.63 0.39 -0.02 -0.06 0.04 0.00 0.00 177.00 177.98 3hsi s PHE 18 N -1.53 0.15 -0.15 0.56 0.08 -0.41 -4.52 117.98 112.16 3hsi s PHE 18 Ca 0.43 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 57.34 3hsi s PHE 18 Cb -0.16 -0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.16 3hsi s PHE 18 CO 0.21 -0.03 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.09 3hsi s LEU 19 N -0.29 3.27 0.32 -0.37 2.96 -0.18 -1.67 118.68 122.72 3hsi s LEU 19 Ca -0.02 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 3hsi s LEU 19 Cb -0.02 -1.78 -0.10 0.00 0.50 0.00 0.00 46.19 44.78 3hsi s LEU 19 CO -0.00 0.19 1.41 0.00 -1.32 0.00 0.00 176.35 176.63 3hsi s ALA 20 N 0.21 3.57 -0.06 5.97 0.00 -1.26 -0.75 121.76 129.44 3hsi s ALA 20 Ca -0.02 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3hsi s ALA 20 Cb -0.14 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3hsi s ALA 20 CO 0.03 -0.80 0.03 -1.17 0.00 0.00 0.00 175.76 173.84 3hsi s LEU 21 N -1.45 0.42 0.48 0.00 0.20 0.11 -4.87 118.68 113.57 3hsi s LEU 21 Ca 0.53 -0.01 -0.21 0.00 0.69 0.00 0.00 54.13 55.13 3hsi s LEU 21 Cb -0.43 -0.31 -0.08 0.00 -0.43 0.00 0.00 46.19 44.95 3hsi s LEU 21 CO 0.53 -0.21 1.09 -1.10 -0.29 0.00 0.00 176.35 176.37 3hsi s GLN 22 N 2.03 3.72 0.33 1.98 -0.21 -1.26 -4.51 119.66 121.74 3hsi s GLN 22 Ca 0.05 1.54 0.03 0.00 0.02 0.00 0.00 55.36 57.00 3hsi s GLN 22 Cb -0.12 -2.20 0.59 0.00 1.00 0.00 0.00 33.01 32.27 3hsi s GLN 22 CO -0.04 -0.53 1.90 0.00 -2.12 0.00 0.00 175.29 174.49 3hsi h ALA 23 N 1.70 1.39 0.00 6.09 0.00 -1.94 -1.06 119.26 125.43 3hsi h ALA 23 Ca -0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hsi h ALA 23 Cb 1.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hsi h ALA 23 CO 0.59 0.44 -0.01 1.05 0.00 0.00 0.00 179.25 181.33 3hsi h GLU 24 N 0.61 0.00 -0.00 0.00 4.11 -1.98 -2.60 114.58 114.72 3hsi h GLU 24 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3hsi h GLU 24 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hsi h GLU 24 CO -0.00 0.01 -0.07 1.04 0.07 0.00 0.00 179.01 180.05 3hsi n GLN 25 N -3.12 0.38 -5.15 1.06 6.02 -0.40 -4.79 117.38 111.38 3hsi n GLN 25 Ca -0.01 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 3hsi n GLN 25 Cb 0.20 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.81 3hsi n GLN 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hsi s ILE 26 N -2.67 2.34 -0.05 5.09 1.01 -0.98 -1.46 121.20 124.47 3hsi s ILE 26 Ca 0.24 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3hsi s ILE 26 Cb 0.20 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3hsi s ILE 26 CO 0.50 0.57 -0.12 -1.61 0.00 0.00 0.00 174.94 174.28 3hsi s GLU 27 N -0.22 1.56 -0.35 2.79 2.02 -0.13 -4.99 118.70 119.37 3hsi s GLU 27 Ca -0.01 -0.42 -0.19 0.00 0.02 0.00 0.00 54.97 54.36 3hsi s GLU 27 Cb -0.13 -1.33 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 3hsi s GLU 27 CO 0.03 0.08 0.55 -0.06 0.02 0.00 0.00 175.26 175.89 3hsi s PHE 28 N 0.46 3.17 0.65 1.61 0.40 -1.26 -0.70 117.98 122.31 3hsi s PHE 28 Ca -0.10 0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 56.32 3hsi s PHE 28 Cb -0.14 -2.99 -0.01 0.00 0.51 0.00 0.00 43.02 40.39 3hsi s PHE 28 CO 0.03 -0.57 1.07 -0.51 0.70 0.00 0.00 175.22 175.94 3hsi s LEU 29 N 2.49 3.34 0.02 -0.37 1.43 -0.36 -4.99 118.68 120.25 3hsi s LEU 29 Ca 0.20 1.82 0.17 0.00 -1.03 0.00 0.00 54.13 55.30 3hsi s LEU 29 Cb -0.15 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.37 3hsi s LEU 29 CO 0.14 -1.44 0.69 0.61 0.23 0.00 0.00 176.35 176.58 3hsi n GLY 30 N -1.10 -1.15 3.74 -3.19 0.00 -1.26 -4.54 105.19 97.68 3hsi n GLY 30 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3hsi n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsi s SER 31 N -5.64 -0.34 0.41 1.61 1.04 -1.26 -4.99 113.70 104.53 3hsi s SER 31 Ca -0.04 -0.44 0.19 0.00 0.48 0.00 0.00 55.95 56.13 3hsi s SER 31 Cb 0.09 0.69 0.87 0.00 0.10 0.00 0.00 66.02 67.76 3hsi s SER 31 CO 0.82 -1.24 1.84 0.77 0.98 0.00 0.00 173.24 176.41 3hsi h SER 32 N 2.00 0.00 -0.27 7.02 4.64 -1.90 -2.08 113.55 122.97 3hsi h SER 32 Ca -0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 3hsi h SER 32 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3hsi h SER 32 CO 0.27 0.32 -0.06 0.00 -0.87 0.00 0.00 176.83 176.49 3hsi h ALA 33 N 1.68 0.37 -0.75 5.18 0.00 -1.87 -1.16 119.26 122.71 3hsi h ALA 33 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hsi h ALA 33 Cb 0.70 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3hsi h ALA 33 CO 0.04 0.18 0.43 0.93 0.00 0.00 0.00 179.25 180.83 3hsi h GLU 34 N 0.27 0.75 0.07 0.00 5.08 -1.88 -1.32 114.58 117.55 3hsi h GLU 34 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hsi h GLU 34 Cb 0.53 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hsi h GLU 34 CO 0.03 0.50 -0.09 0.35 -1.00 0.00 0.00 179.01 178.80 3hsi h PHE 35 N 0.78 -0.23 -0.54 4.33 3.57 -1.16 0.19 116.94 123.88 3hsi h PHE 35 Ca 0.34 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.94 3hsi h PHE 35 Cb 0.23 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 3hsi h PHE 35 CO -0.06 -0.14 0.11 -0.22 -2.23 0.00 0.00 178.31 175.77 3hsi h LYS 36 N -0.19 0.24 -0.52 1.11 3.64 -1.05 -0.91 116.57 118.89 3hsi h LYS 36 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hsi h LYS 36 Cb 0.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3hsi h LYS 36 CO -0.04 0.16 0.29 1.15 -2.27 0.00 0.00 179.45 178.73 3hsi h THR 37 N 0.25 1.18 -0.12 1.00 2.02 -0.61 -2.40 112.91 114.23 3hsi h THR 37 Ca 0.28 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3hsi h THR 37 Cb 0.38 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3hsi h THR 37 CO -0.35 0.19 0.08 1.56 0.37 0.00 0.00 175.52 177.36 3hsi h GLN 38 N 0.69 0.16 -0.34 6.66 1.08 -0.32 -1.44 115.11 121.60 3hsi h GLN 38 Ca 0.18 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.44 3hsi h GLN 38 Cb 0.05 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.36 3hsi h GLN 38 CO -0.03 0.13 -0.39 0.82 -0.95 0.00 0.00 178.83 178.42 3hsi h ILE 39 N 0.15 0.17 -0.37 2.54 2.04 -1.07 0.34 117.51 121.31 3hsi h ILE 39 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3hsi h ILE 39 Cb 0.01 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3hsi h ILE 39 CO -0.01 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.64 3hsi h ILE 40 N -0.33 0.85 -0.76 -0.67 2.04 -1.26 -0.79 117.51 116.59 3hsi h ILE 40 Ca 0.14 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3hsi h ILE 40 Cb 0.57 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3hsi h ILE 40 CO -0.52 0.04 0.29 -0.08 0.00 0.00 0.00 178.15 177.88 3hsi h GLU 41 N 0.24 1.15 -0.35 2.37 4.81 -0.79 -1.60 114.58 120.40 3hsi h GLU 41 Ca 0.17 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 3hsi h GLU 41 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hsi h GLU 41 CO -0.20 0.95 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.58 3hsi h LEU 42 N 1.12 0.89 -0.22 1.64 3.38 -0.61 -2.54 115.31 118.97 3hsi h LEU 42 Ca 0.25 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hsi h LEU 42 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hsi h LEU 42 CO -0.02 1.16 0.04 0.40 0.09 0.00 0.00 178.44 180.11 3hsi h ILE 43 N 0.69 1.22 0.00 1.22 2.04 -0.90 -2.45 117.51 119.33 3hsi h ILE 43 Ca 0.06 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3hsi h ILE 43 Cb 0.94 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3hsi h ILE 43 CO 0.09 0.23 -0.08 0.03 0.00 0.00 0.00 178.15 178.41 3hsi h ARG 44 N 0.16 0.00 -0.00 2.37 3.08 -1.26 -2.70 114.38 116.03 3hsi h ARG 44 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hsi h ARG 44 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hsi h ARG 44 CO 0.00 0.08 -0.71 0.09 -1.07 0.00 0.00 179.97 178.37 3hsi n ASN 45 N -4.20 1.15 -4.75 7.04 3.02 -0.96 -4.97 115.26 111.59 3hsi n ASN 45 Ca -0.03 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.14 3hsi n ASN 45 Cb 0.16 0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 3hsi n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsi s ALA 46 N -2.83 3.71 -0.02 5.41 0.00 -0.93 -4.94 121.76 122.16 3hsi s ALA 46 Ca 0.13 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3hsi s ALA 46 Cb 0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3hsi s ALA 46 CO 0.73 -0.89 0.02 1.63 0.00 0.00 0.00 175.76 177.25 3hsi n LYS 47 N 2.28 2.44 -0.04 0.00 4.01 -1.26 -4.93 118.16 120.66 3hsi n LYS 47 Ca 0.08 -0.01 -0.08 0.00 -0.51 0.00 0.00 58.31 57.79 3hsi n LYS 47 Cb 0.38 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 33.81 3hsi n LYS 47 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3hsi n LYS 48 N -1.93 0.17 -3.57 1.97 5.02 -1.26 -4.72 118.16 113.84 3hsi n LYS 48 Ca -0.03 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 3hsi n LYS 48 Cb 0.41 -0.87 -0.05 0.00 -0.02 0.00 0.00 35.03 34.51 3hsi n LYS 48 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3hsi s ARG 49 N -2.15 1.05 -0.19 1.97 1.70 -1.26 -1.45 118.95 118.62 3hsi s ARG 49 Ca -0.11 -0.32 -0.04 0.00 -0.47 0.00 0.00 55.73 54.79 3hsi s ARG 49 Cb 0.04 0.48 0.08 0.00 -0.57 0.00 0.00 34.95 34.98 3hsi s ARG 49 CO 0.15 -0.39 0.16 0.42 -1.08 0.00 0.00 175.30 174.55 3hsi s ILE 50 N -2.72 -0.21 -0.08 4.99 1.01 -0.11 -1.19 121.20 122.89 3hsi s ILE 50 Ca -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3hsi s ILE 50 Cb -0.00 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 3hsi s ILE 50 CO -0.04 -0.27 -0.13 -0.31 0.00 0.00 0.00 174.94 174.20 3hsi s TYR 51 N 2.23 2.77 -0.03 3.97 2.02 -0.07 -0.77 117.35 127.48 3hsi s TYR 51 Ca 0.05 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3hsi s TYR 51 Cb -0.16 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3hsi s TYR 51 CO -0.12 0.09 0.03 0.08 -1.57 0.00 0.00 175.55 174.06 3hsi s VAL 52 N -0.41 0.01 -0.15 0.71 1.01 -0.75 0.59 120.40 121.41 3hsi s VAL 52 Ca 0.05 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3hsi s VAL 52 Cb -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.10 3hsi s VAL 52 CO 0.02 0.13 -0.19 0.42 0.00 0.00 0.00 175.10 175.48 3hsi s THR 53 N 1.32 2.30 0.11 3.92 -4.23 -0.83 0.30 115.64 118.53 3hsi s THR 53 Ca -0.06 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.49 3hsi s THR 53 Cb -0.13 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 3hsi s THR 53 CO -0.03 0.53 0.17 0.00 -0.54 0.00 0.00 174.62 174.76 3hsi s ALA 54 N 0.86 0.08 0.09 3.99 0.00 -0.68 -3.63 121.76 122.48 3hsi s ALA 54 Ca -0.05 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 3hsi s ALA 54 Cb -0.15 0.61 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 3hsi s ALA 54 CO -0.02 -0.53 1.62 1.25 0.00 0.00 0.00 175.76 178.08 3hsi h LEU 55 N 2.76 0.30 -7.85 0.00 5.85 -1.83 -3.30 115.31 111.24 3hsi h LEU 55 Ca -0.33 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3hsi h LEU 55 Cb 1.20 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 3hsi h LEU 55 CO 0.56 0.41 -0.09 -0.72 -0.34 0.00 0.00 178.44 178.25 3hsi s TYR 56 N -5.46 0.08 -0.21 1.25 -0.85 -1.26 -2.06 117.35 108.84 3hsi s TYR 56 Ca -0.14 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 3hsi s TYR 56 Cb 0.07 0.24 0.07 0.00 0.38 0.00 0.00 41.96 42.72 3hsi s TYR 56 CO 0.71 -0.87 0.06 -0.46 -1.52 0.00 0.00 175.55 173.47 3hsi s TRP 57 N -3.91 0.89 0.24 -3.49 -0.11 -1.26 -2.56 118.94 108.73 3hsi s TRP 57 Ca 0.13 -0.84 -0.21 0.00 1.22 0.00 0.00 56.10 56.40 3hsi s TRP 57 Cb 0.00 -1.02 -0.09 0.00 -1.50 0.00 0.00 33.47 30.87 3hsi s TRP 57 CO -0.01 -0.63 0.76 -1.14 -4.62 0.00 0.00 176.95 171.31 3hsi s GLN 58 N 1.90 4.30 0.00 5.86 2.00 0.53 -4.89 119.66 129.35 3hsi s GLN 58 Ca 0.01 0.94 0.01 0.00 -2.00 0.00 0.00 55.36 54.32 3hsi s GLN 58 Cb -0.17 -2.85 0.07 0.00 0.80 0.00 0.00 33.01 30.86 3hsi s GLN 58 CO -0.12 0.37 0.40 0.36 -0.50 0.00 0.00 175.29 175.81 3hsi n LYS 59 N 0.67 0.32 -0.01 1.67 2.85 -1.26 -3.86 118.16 118.54 3hsi n LYS 59 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3hsi n LYS 59 Cb 0.51 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 3hsi n LYS 59 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3hsi n ASP 60 N -0.55 0.00 -0.11 -5.58 5.68 -1.26 -4.69 116.55 110.04 3hsi n ASP 60 Ca 0.01 -0.56 -0.09 0.00 -0.50 0.00 0.00 54.79 53.65 3hsi n ASP 60 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.05 3hsi n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hsi h GLU 61 N 0.00 0.85 -0.24 0.11 3.07 -1.98 -1.81 114.58 114.58 3hsi h GLU 61 Ca 0.00 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 3hsi h GLU 61 Cb 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3hsi h GLU 61 CO 0.00 0.98 0.04 0.00 -1.40 0.00 0.00 179.01 178.64 3hsi h ALA 62 N 1.01 0.31 -0.87 3.43 0.00 -1.91 -1.83 119.26 119.41 3hsi h ALA 62 Ca 0.10 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3hsi h ALA 62 Cb 0.75 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 3hsi h ALA 62 CO 0.06 -0.01 0.45 0.78 0.00 0.00 0.00 179.25 180.53 3hsi h GLY 63 N 0.20 1.44 0.97 0.00 0.00 -1.61 -0.71 103.07 103.36 3hsi h GLY 63 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3hsi h GLY 63 CO 0.00 -0.06 -0.40 -1.61 0.00 0.00 0.00 176.54 174.47 3hsi h GLN 64 N 0.62 0.67 -0.63 4.80 5.75 -1.23 -0.84 115.11 124.24 3hsi h GLN 64 Ca 0.49 -0.42 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3hsi h GLN 64 Cb 0.72 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 3hsi h GLN 64 CO -0.38 1.04 0.32 1.49 -2.65 0.00 0.00 178.83 178.65 3hsi h GLU 65 N 0.38 0.89 -0.23 1.69 4.81 -0.81 0.42 114.58 121.73 3hsi h GLU 65 Ca 0.01 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 3hsi h GLU 65 Cb 1.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3hsi h GLU 65 CO 0.09 0.70 -0.11 0.82 -0.73 0.00 0.00 179.01 179.78 3hsi h ILE 66 N 0.86 1.30 -0.47 2.32 1.08 -1.05 -2.27 117.51 119.28 3hsi h ILE 66 Ca 0.22 -1.19 -0.06 0.00 -0.39 0.00 0.00 64.86 63.44 3hsi h ILE 66 Cb 0.09 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3hsi h ILE 66 CO -0.03 0.36 0.05 0.25 -0.69 0.00 0.00 178.15 178.10 3hsi h LEU 67 N 0.19 0.71 -0.83 1.44 5.85 -1.03 -1.75 115.31 119.90 3hsi h LEU 67 Ca 0.05 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3hsi h LEU 67 Cb 0.61 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3hsi h LEU 67 CO 0.03 0.75 0.50 0.44 -0.34 0.00 0.00 178.44 179.82 3hsi h ASP 68 N 0.72 0.75 -0.81 1.25 3.32 -0.80 -1.62 116.42 119.23 3hsi h ASP 68 Ca 0.15 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hsi h ASP 68 Cb 0.36 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3hsi h ASP 68 CO 0.01 0.47 0.52 -0.33 -1.72 0.00 0.00 179.24 178.19 3hsi h GLU 69 N 0.88 1.08 0.10 3.56 4.39 -0.73 -1.86 114.58 122.00 3hsi h GLU 69 Ca 0.37 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3hsi h GLU 69 Cb 0.24 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hsi h GLU 69 CO -0.20 0.73 -0.05 0.82 -1.16 0.00 0.00 179.01 179.15 3hsi h ILE 70 N 1.10 0.91 -0.39 3.13 1.08 -0.87 -2.21 117.51 120.27 3hsi h ILE 70 Ca 0.30 -0.04 -0.07 0.00 -0.39 0.00 0.00 64.86 64.66 3hsi h ILE 70 Cb -0.10 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3hsi h ILE 70 CO -0.06 0.01 -0.03 1.88 -0.69 0.00 0.00 178.15 179.26 3hsi h TYR 71 N -0.15 0.67 -0.25 1.37 0.05 -1.24 -0.15 116.97 117.27 3hsi h TYR 71 Ca -0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 3hsi h TYR 71 Cb 0.12 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3hsi h TYR 71 CO -0.07 0.66 0.10 -0.09 -1.05 0.00 0.00 178.16 177.71 3hsi h ARG 72 N 0.59 0.37 -0.17 4.88 2.43 -1.16 0.68 114.38 122.01 3hsi h ARG 72 Ca 0.12 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3hsi h ARG 72 Cb 0.42 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3hsi h ARG 72 CO 0.02 0.40 -0.51 -0.39 -1.51 0.00 0.00 179.97 177.99 3hsi h VAL 73 N 0.26 1.33 -0.18 0.20 -1.51 -0.92 -2.55 116.25 112.87 3hsi h VAL 73 Ca 0.08 -1.74 -0.09 0.00 -1.23 0.00 0.00 66.70 63.72 3hsi h VAL 73 Cb 0.17 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 3hsi h VAL 73 CO -0.01 0.54 -0.28 0.50 -1.23 0.00 0.00 177.57 177.08 3hsi h LYS 74 N 0.36 0.35 0.00 5.19 1.63 -0.91 0.15 116.57 123.34 3hsi h LYS 74 Ca 0.01 -0.13 -0.14 0.00 -0.85 0.00 0.00 60.65 59.54 3hsi h LYS 74 Cb 1.02 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 3hsi h LYS 74 CO 0.09 0.61 -0.67 -0.56 -3.45 0.00 0.00 179.45 175.47 3hsi h GLN 75 N 0.31 0.00 0.00 1.90 3.07 -0.63 -3.12 115.11 116.64 3hsi h GLN 75 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 3hsi h GLN 75 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 3hsi h GLN 75 CO 0.05 0.67 -0.53 -1.91 0.09 0.00 0.00 178.83 177.20 3hsi n GLU 76 N -3.56 0.24 -3.63 0.06 2.13 -0.98 -4.58 120.64 110.32 3hsi n GLU 76 Ca -0.00 0.08 -0.28 0.00 0.66 0.00 0.00 57.16 57.62 3hsi n GLU 76 Cb 0.70 -1.66 -0.12 0.00 0.27 0.00 0.00 31.44 30.63 3hsi n GLU 76 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3hsi s ASN 77 N -4.04 3.12 0.61 4.31 0.01 0.50 -5.01 114.94 114.43 3hsi s ASN 77 Ca 0.08 -3.04 0.33 0.00 -0.71 0.00 0.00 52.86 49.52 3hsi s ASN 77 Cb 0.14 -0.92 1.96 0.00 0.41 0.00 0.00 41.25 42.84 3hsi s ASN 77 CO 0.70 -0.19 2.27 1.55 -1.51 0.00 0.00 177.10 179.92 3hsi h PRO 78 N 6.06 0.00 -0.22 -0.60 0.13 -1.80 -1.87 132.00 133.70 3hsi h PRO 78 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hsi h PRO 78 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hsi h PRO 78 CO 0.48 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.97 3hsi n HIS 79 N -3.66 0.28 -1.68 1.56 8.25 -1.26 -4.92 115.22 113.79 3hsi n HIS 79 Ca -0.03 -0.14 -0.45 0.00 -0.26 0.00 0.00 57.72 56.84 3hsi n HIS 79 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 3hsi n HIS 79 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3hsi n LEU 80 N 0.59 3.57 -4.50 2.41 7.94 -0.70 -4.91 117.00 121.41 3hsi n LEU 80 Ca 0.17 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3hsi n LEU 80 Cb 0.39 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 3hsi n LEU 80 CO 0.13 -0.04 0.94 -0.62 -1.11 0.00 0.00 177.39 176.70 3hsi s ASP 81 N 2.74 6.17 -0.20 1.96 2.15 -0.53 -4.98 116.67 123.98 3hsi s ASP 81 Ca 0.85 -0.74 -0.04 0.00 0.43 0.00 0.00 52.55 53.05 3hsi s ASP 81 Cb -0.61 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 39.51 3hsi s ASP 81 CO 0.43 -1.62 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.09 3hsi s VAL 82 N 4.82 3.66 -0.06 1.11 1.01 -1.26 -0.93 120.40 128.75 3hsi s VAL 82 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3hsi s VAL 82 Cb -0.13 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3hsi s VAL 82 CO 0.12 0.43 -0.02 -0.54 0.00 0.00 0.00 175.10 175.10 3hsi s LYS 83 N 1.15 0.68 -0.21 2.72 1.02 0.05 -4.87 119.74 120.27 3hsi s LYS 83 Ca 0.02 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.04 3hsi s LYS 83 Cb -0.15 -0.86 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 3hsi s LYS 83 CO 0.00 -0.19 -0.16 0.08 -0.92 0.00 0.00 175.35 174.16 3hsi s VAL 84 N 1.40 2.14 -0.22 3.17 1.01 -1.26 -1.80 120.40 124.83 3hsi s VAL 84 Ca -0.04 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 3hsi s VAL 84 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3hsi s VAL 84 CO -0.03 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.70 3hsi s LEU 85 N 1.23 3.47 0.27 3.92 1.02 0.15 -0.18 118.68 128.55 3hsi s LEU 85 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.04 3hsi s LEU 85 Cb -0.15 -1.91 -0.06 0.00 0.02 0.00 0.00 46.19 44.09 3hsi s LEU 85 CO -0.10 0.03 0.00 0.27 0.02 0.00 0.00 176.35 176.57 3hsi s ILE 86 N 1.22 1.19 0.23 -0.59 -0.00 -0.46 -1.68 121.20 121.10 3hsi s ILE 86 Ca 0.04 -2.04 -0.31 0.00 -0.00 0.00 0.00 60.65 58.34 3hsi s ILE 86 Cb -0.14 -2.49 -0.10 0.00 -0.00 0.00 0.00 42.46 39.73 3hsi s ILE 86 CO 0.03 -0.23 1.52 -0.62 -0.00 0.00 0.00 174.94 175.64 3hsi s ASP 87 N -3.38 6.57 0.08 4.36 2.15 -0.87 -0.61 116.67 124.96 3hsi s ASP 87 Ca 0.31 2.71 -0.24 0.00 0.43 0.00 0.00 52.55 55.76 3hsi s ASP 87 Cb 0.06 -2.61 -0.16 0.00 -0.30 0.00 0.00 42.92 39.91 3hsi s ASP 87 CO 0.11 -0.79 1.68 -0.25 -0.17 0.00 0.00 175.17 175.75 3hsi h TRP 88 N 5.65 -0.11 -0.29 -5.34 2.91 -1.52 -2.58 115.95 114.68 3hsi h TRP 88 Ca -0.45 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.50 3hsi h TRP 88 Cb 1.21 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3hsi h TRP 88 CO 0.62 -0.03 -0.08 0.45 -1.03 0.00 0.00 178.44 178.37 3hsi h HIS 89 N -0.16 0.64 -0.55 2.65 3.86 -1.91 -3.16 115.15 116.52 3hsi h HIS 89 Ca -0.01 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 3hsi h HIS 89 Cb 0.13 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 3hsi h HIS 89 CO -0.06 0.77 0.28 -0.09 0.86 0.00 0.00 177.93 179.69 3hsi h ARG 90 N 0.33 0.76 0.00 2.45 9.65 -1.91 -2.05 114.38 123.62 3hsi h ARG 90 Ca 0.07 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3hsi h ARG 90 Cb 0.56 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 3hsi h ARG 90 CO 0.03 0.58 0.00 0.00 2.80 0.00 0.00 179.97 183.38 3hsi n ALA 91 N -2.45 1.71 -1.32 2.80 0.00 -0.97 -3.52 120.51 116.75 3hsi n ALA 91 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3hsi n ALA 91 Cb 0.11 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.36 3hsi n ALA 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hsi n GLN 92 N -2.05 1.33 -4.12 0.00 6.02 -0.77 -0.91 117.38 116.88 3hsi n GLN 92 Ca 0.03 -2.79 -0.08 0.00 -0.01 0.00 0.00 57.00 54.14 3hsi n GLN 92 Cb 0.23 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 3hsi n GLN 92 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hsi s ARG 93 N -2.88 0.73 0.89 -1.09 1.70 -1.22 -4.99 118.95 112.10 3hsi s ARG 93 Ca 0.33 -1.30 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 3hsi s ARG 93 Cb 0.31 0.14 0.19 0.00 -0.57 0.00 0.00 34.95 35.01 3hsi s ARG 93 CO -0.01 -0.13 1.22 -0.80 -1.08 0.00 0.00 175.30 174.50 3hsi s ASN 94 N -2.98 3.41 0.70 -2.89 0.01 -1.26 -4.65 114.94 107.28 3hsi s ASN 94 Ca 0.12 -0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 52.14 3hsi s ASN 94 Cb 0.07 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.68 3hsi s ASN 94 CO -0.06 -2.52 1.07 -0.76 -1.51 0.00 0.00 177.10 173.33 3hsi s LEU 95 N -5.66 2.90 0.00 0.60 1.43 -1.26 -5.15 118.68 111.54 3hsi s LEU 95 Ca 0.73 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 3hsi s LEU 95 Cb -0.03 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3hsi s LEU 95 CO 0.50 -1.37 0.00 0.18 0.23 0.00 0.00 176.35 175.89 3hsi n LEU 96 N -2.97 0.00 -0.12 1.79 4.77 -1.26 -5.30 117.00 113.91 3hsi n LEU 96 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 3hsi n LEU 96 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3hsi n LEU 96 CO 0.57 0.00 -1.05 -0.24 -1.33 0.00 0.00 177.39 175.34 3hsi n SER 101 N 2.04 1.93 -4.77 -1.43 2.88 -1.26 -5.21 113.62 107.80 3hsi n SER 101 Ca 0.00 0.33 -0.40 0.00 -1.33 0.00 0.00 58.87 57.47 3hsi n SER 101 Cb 0.00 -0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 62.59 3hsi n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hsi s ALA 102 N -2.46 3.41 0.65 -1.46 0.00 -1.26 -4.89 121.76 115.75 3hsi s ALA 102 Ca -0.34 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3hsi s ALA 102 Cb 0.11 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3hsi s ALA 102 CO 0.55 -0.62 1.02 0.95 0.00 0.00 0.00 175.76 177.66 3hsi s THR 103 N -1.19 3.90 0.22 0.00 -4.23 -1.26 -4.91 115.64 108.17 3hsi s THR 103 Ca 0.51 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 61.39 3hsi s THR 103 Cb -0.38 -3.59 0.20 0.00 1.34 0.00 0.00 72.50 70.07 3hsi s THR 103 CO 0.50 -0.74 1.68 0.78 -0.54 0.00 0.00 174.62 176.30 3hsi h ASN 104 N -0.42 -0.13 -0.55 3.99 2.35 -1.81 -1.26 115.58 117.75 3hsi h ASN 104 Ca -0.45 0.14 0.07 0.00 -0.55 0.00 0.00 56.30 55.51 3hsi h ASN 104 Cb 1.24 0.22 -0.06 0.00 0.05 0.00 0.00 38.32 39.77 3hsi h ASN 104 CO 0.63 -0.06 0.23 0.00 -1.65 0.00 0.00 177.43 176.58 3hsi h ALA 105 N 1.55 0.71 -0.68 -0.83 0.00 -1.33 0.11 119.26 118.80 3hsi h ALA 105 Ca 0.34 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.36 3hsi h ALA 105 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3hsi h ALA 105 CO -0.49 -0.15 0.40 -0.44 0.00 0.00 0.00 179.25 178.57 3hsi h ASP 106 N 0.44 0.63 -0.73 0.00 3.32 -1.58 -2.42 116.42 116.07 3hsi h ASP 106 Ca 0.26 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 3hsi h ASP 106 Cb 0.26 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3hsi h ASP 106 CO -0.24 0.42 0.19 -0.25 -1.72 0.00 0.00 179.24 177.65 3hsi h TRP 107 N 0.76 1.21 -0.76 4.55 7.01 -0.46 -1.53 115.95 126.72 3hsi h TRP 107 Ca 0.29 -0.14 0.04 0.00 2.11 0.00 0.00 58.89 61.19 3hsi h TRP 107 Cb 0.11 -0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 26.77 3hsi h TRP 107 CO -0.06 0.97 0.47 1.88 -2.79 0.00 0.00 178.44 178.91 3hsi h TYR 108 N 1.10 0.88 -0.25 2.65 0.05 -0.54 -0.13 116.97 120.73 3hsi h TYR 108 Ca 0.23 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 3hsi h TYR 108 Cb 0.36 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3hsi h TYR 108 CO 0.03 0.49 0.10 0.00 -1.05 0.00 0.00 178.16 177.73 3hsi h GLU 110 N 0.26 -0.37 -0.27 0.00 4.81 -0.95 -0.56 114.58 117.50 3hsi h GLU 110 Ca 0.08 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3hsi h GLU 110 Cb 0.17 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 3hsi h GLU 110 CO -0.01 -0.24 -0.02 1.96 -0.73 0.00 0.00 179.01 179.97 3hsi h GLN 111 N -0.38 0.05 -0.63 1.92 1.08 -0.91 -0.14 115.11 116.10 3hsi h GLN 111 Ca 0.08 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 3hsi h GLN 111 Cb 0.49 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 3hsi h GLN 111 CO -0.27 0.03 0.35 -0.09 -0.95 0.00 0.00 178.83 177.91 3hsi h ARG 112 N 0.05 0.64 -0.56 1.46 2.43 -1.08 0.46 114.38 117.79 3hsi h ARG 112 Ca 0.13 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3hsi h ARG 112 Cb 0.18 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hsi h ARG 112 CO -0.24 0.42 -0.05 1.96 -1.51 0.00 0.00 179.97 180.56 3hsi h GLN 113 N 0.66 1.01 -0.13 0.20 1.08 -0.80 -2.09 115.11 115.03 3hsi h GLN 113 Ca 0.28 -0.34 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 3hsi h GLN 113 Cb 0.15 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3hsi h GLN 113 CO -0.17 1.02 -0.51 1.15 -0.95 0.00 0.00 178.83 179.37 3hsi h THR 114 N 0.91 1.35 -0.10 -0.54 2.02 -0.76 -3.20 112.91 112.59 3hsi h THR 114 Ca 0.15 -1.80 -0.12 0.00 0.77 0.00 0.00 66.41 65.41 3hsi h THR 114 Cb 0.60 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3hsi h THR 114 CO 0.04 0.55 -0.49 1.88 0.37 0.00 0.00 175.52 177.87 3hsi h TYR 115 N 0.22 0.32 -6.07 3.16 0.05 -0.98 -3.48 116.97 110.19 3hsi h TYR 115 Ca -0.03 -0.10 -0.27 0.00 0.05 0.00 0.00 58.73 58.38 3hsi h TYR 115 Cb 1.14 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 3hsi h TYR 115 CO 0.10 0.71 -0.59 0.00 -1.05 0.00 0.00 178.16 177.33 3hsi n GLN 116 N -3.96 -0.80 -1.70 4.88 10.64 -0.79 -4.91 117.38 120.74 3hsi n GLN 116 Ca -0.02 0.33 -0.40 0.00 -1.83 0.00 0.00 57.00 55.08 3hsi n GLN 116 Cb 0.54 -1.14 0.02 0.00 -0.86 0.00 0.00 30.24 28.80 3hsi n GLN 116 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3hsi n LEU 117 N -1.80 4.20 -0.25 2.61 4.77 -1.26 -4.91 117.00 120.37 3hsi n LEU 117 Ca -0.16 1.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.83 3hsi n LEU 117 Cb 0.36 -1.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.00 3hsi n LEU 117 CO 0.35 -0.72 1.13 -0.65 -1.33 0.00 0.00 177.39 176.17 3hsi h PRO 118 N 1.89 0.92 0.27 3.23 0.11 -1.98 -2.82 132.00 133.63 3hsi h PRO 118 Ca -0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3hsi h PRO 118 Cb 1.30 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hsi h PRO 118 CO 0.59 0.64 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.43 3hsi h ASP 119 N 0.93 -0.38 -1.85 -2.05 3.32 -1.94 -3.47 116.42 110.99 3hsi h ASP 119 Ca 0.25 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3hsi h ASP 119 Cb -0.05 0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.62 3hsi h ASP 119 CO -0.05 -0.24 -0.09 -0.67 -1.72 0.00 0.00 179.24 176.47 3hsi n ASP 120 N -3.16 -2.39 -4.90 6.45 2.03 -1.07 -5.05 116.55 108.46 3hsi n ASP 120 Ca -0.05 -0.07 -0.29 0.00 0.52 0.00 0.00 54.79 54.90 3hsi n ASP 120 Cb 0.16 -1.07 0.08 0.00 -0.72 0.00 0.00 41.12 39.57 3hsi n ASP 120 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hsi s PRO 121 N -4.88 2.15 0.72 -0.67 0.04 -1.26 -5.05 135.00 126.05 3hsi s PRO 121 Ca 0.05 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 3hsi s PRO 121 Cb -0.02 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3hsi s PRO 121 CO 0.09 -1.45 1.08 -0.80 0.04 0.00 0.00 177.00 175.96 3hsi s ASN 122 N -4.53 5.25 0.00 6.66 0.01 -1.26 -5.12 114.94 115.95 3hsi s ASN 122 Ca 0.61 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 3hsi s ASN 122 Cb -0.11 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.42 3hsi s ASN 122 CO 0.49 -1.48 0.00 0.49 -1.51 0.00 0.00 177.10 175.09 3hsi n PHE 124 N -3.12 0.00 -5.04 2.20 3.72 -1.26 -4.92 117.46 109.04 3hsi n PHE 124 Ca 0.07 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.18 3hsi n PHE 124 Cb 0.56 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.94 3hsi n PHE 124 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hsi s PHE 125 N 0.00 2.04 -0.25 1.38 0.08 0.74 0.04 117.98 122.02 3hsi s PHE 125 Ca 0.00 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.35 3hsi s PHE 125 Cb 0.00 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 3hsi s PHE 125 CO 0.00 -0.18 0.22 0.20 -0.10 0.00 0.00 175.22 175.36 3hsi s GLY 126 N -0.08 1.98 -0.28 4.36 0.00 0.78 -1.36 107.32 112.72 3hsi s GLY 126 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 3hsi s GLY 126 CO 0.03 0.57 0.10 0.14 0.00 0.00 0.00 173.10 173.93 3hsi s VAL 127 N 1.34 4.38 -0.33 1.40 1.01 0.22 -2.77 120.40 125.65 3hsi s VAL 127 Ca 0.10 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3hsi s VAL 127 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3hsi s VAL 127 CO 0.07 0.21 0.37 -2.16 0.00 0.00 0.00 175.10 173.59 3hsi s PRO 128 N 1.60 3.68 0.09 2.72 0.04 -1.26 -1.47 135.00 140.39 3hsi s PRO 128 Ca 0.05 -0.30 0.25 0.00 0.04 0.00 0.00 61.00 61.05 3hsi s PRO 128 Cb -0.16 -3.77 0.57 0.00 0.04 0.00 0.00 34.50 31.19 3hsi s PRO 128 CO 0.04 -0.47 1.50 -0.89 0.04 0.00 0.00 177.00 177.22 3hsi n ILE 129 N 5.23 0.27 -3.83 0.56 2.08 -1.26 -4.81 119.36 117.59 3hsi n ILE 129 Ca -0.09 -0.18 -0.07 0.00 0.56 0.00 0.00 62.75 62.98 3hsi n ILE 129 Cb 0.50 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 3hsi n ILE 129 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3hsi s ASN 130 N -3.83 -0.11 0.39 4.38 3.84 -1.24 -4.79 114.94 113.57 3hsi s ASN 130 Ca 0.09 -0.82 0.26 0.00 0.21 0.00 0.00 52.86 52.60 3hsi s ASN 130 Cb 0.15 0.74 0.79 0.00 -0.55 0.00 0.00 41.25 42.37 3hsi s ASN 130 CO 0.67 -1.42 1.75 0.71 -2.79 0.00 0.00 177.10 176.03 3hsi h THR 131 N 2.00 0.00 -3.69 -5.21 1.35 -1.90 -3.42 112.91 102.03 3hsi h THR 131 Ca -0.26 -0.65 -0.34 0.00 -0.55 0.00 0.00 66.41 64.61 3hsi h THR 131 Cb 1.24 1.62 -0.31 0.00 -1.73 0.00 0.00 68.15 68.97 3hsi h THR 131 CO 0.32 0.00 -0.75 -0.13 -0.25 0.00 0.00 175.52 174.70 3hsi s ARG 132 N -3.31 0.46 0.31 4.72 0.52 -1.26 -4.97 118.95 115.42 3hsi s ARG 132 Ca 0.06 -0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 3hsi s ARG 132 Cb 0.08 -0.50 0.88 0.00 0.52 0.00 0.00 34.95 35.93 3hsi s ARG 132 CO 0.58 0.00 1.65 1.49 0.02 0.00 0.00 175.30 179.04 3hsi h GLU 133 N 6.60 0.23 0.00 3.54 4.81 -1.82 -0.93 114.58 127.01 3hsi h GLU 133 Ca -0.34 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 3hsi h GLU 133 Cb 1.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3hsi h GLU 133 CO 0.49 0.15 -0.15 -0.24 -0.73 0.00 0.00 179.01 178.54 3hsi h VAL 134 N 0.24 1.01 -0.53 0.32 3.04 -1.97 -1.92 116.25 116.44 3hsi h VAL 134 Ca 0.64 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 3hsi h VAL 134 Cb 1.37 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3hsi h VAL 134 CO -0.65 0.15 0.00 0.49 -1.01 0.00 0.00 177.57 176.54 3hsi n PHE 135 N -4.22 0.71 0.00 3.17 3.01 -0.36 -4.94 117.46 114.83 3hsi n PHE 135 Ca -0.02 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.08 3hsi n PHE 135 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3hsi n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hsi n GLY 136 N 1.39 4.01 3.41 1.37 0.00 -0.72 -4.72 105.19 109.94 3hsi n GLY 136 Ca 0.19 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3hsi n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsi s VAL 137 N -0.70 1.35 -0.52 1.61 -7.23 -1.26 -3.61 120.40 110.03 3hsi s VAL 137 Ca 0.00 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 57.83 3hsi s VAL 137 Cb 0.00 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.43 3hsi s VAL 137 CO 0.00 -0.21 1.35 -0.22 -0.31 0.00 0.00 175.10 175.71 3hsi s LEU 138 N -3.42 3.47 -0.02 1.32 2.96 -1.26 -1.80 118.68 119.92 3hsi s LEU 138 Ca 0.31 0.39 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 3hsi s LEU 138 Cb 0.06 -3.23 0.23 0.00 0.50 0.00 0.00 46.19 43.75 3hsi s LEU 138 CO 0.12 -1.57 1.18 1.41 -1.32 0.00 0.00 176.35 176.17 3hsi n HIS 139 N 9.08 0.33 -1.88 5.38 8.25 0.35 -4.06 115.22 132.68 3hsi n HIS 139 Ca 0.13 -0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 56.61 3hsi n HIS 139 Cb 0.49 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3hsi n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsi s VAL 140 N -1.28 2.34 0.34 1.59 1.01 -0.85 -4.34 120.40 119.21 3hsi s VAL 140 Ca 0.18 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.53 3hsi s VAL 140 Cb 0.11 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3hsi s VAL 140 CO 0.09 0.04 0.03 -0.54 0.00 0.00 0.00 175.10 174.72 3hsi s LYS 141 N -0.34 2.12 0.00 2.72 -0.14 -1.26 -4.09 119.74 118.76 3hsi s LYS 141 Ca 0.62 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.52 3hsi s LYS 141 Cb -0.45 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3hsi s LYS 141 CO 0.45 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 3hsi n GLY 142 N -0.97 4.25 3.19 -3.33 0.00 -1.24 -4.87 105.19 102.22 3hsi n GLY 142 Ca -0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3hsi n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hsi s PHE 143 N -0.48 2.20 -0.15 1.61 0.08 -0.41 -1.96 117.98 118.87 3hsi s PHE 143 Ca 0.00 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.30 3hsi s PHE 143 Cb 0.00 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3hsi s PHE 143 CO 0.00 -0.29 -0.21 0.08 -0.10 0.00 0.00 175.22 174.70 3hsi s VAL 144 N 0.17 2.12 -0.26 -0.44 1.01 0.20 -0.70 120.40 122.50 3hsi s VAL 144 Ca -0.11 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3hsi s VAL 144 Cb -0.15 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.43 3hsi s VAL 144 CO 0.05 0.55 -0.10 -0.36 0.00 0.00 0.00 175.10 175.23 3hsi s PHE 145 N 0.86 3.24 0.00 5.22 0.40 -0.09 -0.89 117.98 126.72 3hsi s PHE 145 Ca -0.06 -2.23 0.00 0.00 -0.60 0.00 0.00 56.93 54.04 3hsi s PHE 145 Cb -0.15 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.43 3hsi s PHE 145 CO -0.03 -0.87 0.00 -0.25 0.70 0.00 0.00 175.22 174.78 3hsi n ASP 146 N 4.46 0.00 -1.39 1.36 8.00 -0.33 -0.50 116.55 128.16 3hsi n ASP 146 Ca -0.14 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.44 3hsi n ASP 146 Cb 0.43 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.85 3hsi n ASP 146 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hsi n ASP 147 N 8.01 4.67 -4.35 -2.24 8.00 -1.26 -4.85 116.55 124.54 3hsi n ASP 147 Ca 0.00 -2.77 -0.33 0.00 0.71 0.00 0.00 54.79 52.40 3hsi n ASP 147 Cb 0.00 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 3hsi n ASP 147 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hsi s THR 148 N -2.42 3.11 -0.20 -3.53 2.01 0.35 -1.80 115.64 113.16 3hsi s THR 148 Ca 0.47 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 3hsi s THR 148 Cb 0.35 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 3hsi s THR 148 CO 0.16 0.50 0.31 -0.69 -0.69 0.00 0.00 174.62 174.21 3hsi s VAL 149 N 0.66 5.27 -0.32 3.82 1.01 0.17 -0.91 120.40 130.09 3hsi s VAL 149 Ca -0.06 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 3hsi s VAL 149 Cb -0.15 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3hsi s VAL 149 CO 0.02 0.31 0.07 -0.22 0.00 0.00 0.00 175.10 175.29 3hsi s LEU 150 N 1.01 4.13 -0.14 3.92 2.96 0.12 0.14 118.68 130.83 3hsi s LEU 150 Ca 0.16 -1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 52.91 3hsi s LEU 150 Cb -0.14 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3hsi s LEU 150 CO 0.06 -0.29 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.29 3hsi s TYR 151 N 1.37 3.02 -0.08 5.38 5.04 0.85 -1.29 117.35 131.63 3hsi s TYR 151 Ca -0.02 -0.22 -0.30 0.00 -2.44 0.00 0.00 57.07 54.09 3hsi s TYR 151 Cb -0.19 -1.90 0.11 0.00 0.35 0.00 0.00 41.96 40.32 3hsi s TYR 151 CO 0.02 0.06 0.88 0.45 -1.34 0.00 0.00 175.55 175.61 3hsi s SER 152 N 0.08 -0.45 0.00 4.32 0.15 -1.26 -0.90 113.70 115.64 3hsi s SER 152 Ca -0.01 0.37 0.24 0.00 0.70 0.00 0.00 55.95 57.25 3hsi s SER 152 Cb -0.14 0.39 1.18 0.00 -1.71 0.00 0.00 66.02 65.75 3hsi s SER 152 CO 0.03 -0.50 1.78 0.61 1.20 0.00 0.00 173.24 176.36 3hsi n GLY 153 N 0.50 -1.08 3.76 9.45 0.00 -1.26 -4.51 105.19 112.05 3hsi n GLY 153 Ca -0.12 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3hsi n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsi s ALA 154 N -2.60 3.31 0.54 4.61 0.00 -1.26 -4.95 121.76 121.41 3hsi s ALA 154 Ca 0.22 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3hsi s ALA 154 Cb 0.16 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 20.08 3hsi s ALA 154 CO 0.36 -0.05 0.53 0.43 0.00 0.00 0.00 175.76 177.03 3hsi n SER 155 N 0.97 0.78 -4.31 0.00 7.64 -1.26 -4.85 113.62 112.59 3hsi n SER 155 Ca 0.00 -1.64 -0.41 0.00 1.01 0.00 0.00 58.87 57.83 3hsi n SER 155 Cb 0.47 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.24 3hsi n SER 155 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hsi s ILE 156 N -1.49 4.53 0.39 0.44 -1.09 -1.06 -4.75 121.20 118.17 3hsi s ILE 156 Ca 0.36 -1.27 -0.14 0.00 -2.23 0.00 0.00 60.65 57.36 3hsi s ILE 156 Cb -0.02 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 3hsi s ILE 156 CO 0.23 -0.51 0.78 -0.46 -1.23 0.00 0.00 174.94 173.75 3hsi n ASN 157 N 5.00 -2.26 -0.06 3.58 0.23 -1.26 -0.35 115.26 120.14 3hsi n ASN 157 Ca -0.11 -2.61 -0.07 0.00 -0.53 0.00 0.00 54.58 51.26 3hsi n ASN 157 Cb 0.43 3.78 -0.01 0.00 -2.08 0.00 0.00 39.78 41.91 3hsi n ASN 157 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3hsi h ASN 158 N 1.98 -0.48 -0.50 0.53 2.35 -1.94 -2.83 115.58 114.69 3hsi h ASN 158 Ca -0.33 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.44 3hsi h ASN 158 Cb 1.24 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.85 3hsi h ASN 158 CO 0.42 -0.18 -0.02 -0.37 -1.65 0.00 0.00 177.43 175.63 3hsi h VAL 159 N -0.12 1.26 0.00 2.81 -1.51 -1.96 0.56 116.25 117.29 3hsi h VAL 159 Ca 0.14 -1.12 -0.04 0.00 -1.23 0.00 0.00 66.70 64.45 3hsi h VAL 159 Cb 0.33 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 3hsi h VAL 159 CO -0.33 0.39 -0.19 1.88 -1.23 0.00 0.00 177.57 178.09 3hsi h TYR 160 N 0.77 0.00 -0.45 5.19 -1.99 -1.76 -1.65 116.97 117.09 3hsi h TYR 160 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 3hsi h TYR 160 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 3hsi h TYR 160 CO 0.04 0.19 0.00 1.28 -0.00 0.00 0.00 178.16 179.67 3hsi n LEU 161 N -3.98 3.30 -3.78 3.88 4.32 -1.07 -4.73 117.00 114.93 3hsi n LEU 161 Ca -0.02 -1.77 -0.25 0.00 -0.02 0.00 0.00 56.01 53.95 3hsi n LEU 161 Cb 0.27 -0.29 0.02 0.00 -1.62 0.00 0.00 43.42 41.80 3hsi n LEU 161 CO 0.34 0.78 -0.13 1.57 -1.22 0.00 0.00 177.39 178.73 3hsi n HIS 162 N 1.14 -1.82 -0.22 -1.77 -0.00 -0.28 -4.44 115.22 107.83 3hsi n HIS 162 Ca 0.17 0.70 -0.06 0.00 0.46 0.00 0.00 57.72 58.99 3hsi n HIS 162 Cb 0.52 -3.89 0.04 0.00 -0.12 0.00 0.00 29.99 26.54 3hsi n HIS 162 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3hsi h GLN 163 N -1.84 0.85 0.00 1.57 5.75 -1.17 -3.45 115.11 116.82 3hsi h GLN 163 Ca -0.63 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 57.78 3hsi h GLN 163 Cb 1.36 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.74 3hsi h GLN 163 CO 0.56 0.63 0.00 1.19 -2.65 0.00 0.00 178.83 178.56 3hsi n PHE 164 N -4.58 0.00 0.06 3.99 3.01 -1.26 -5.04 117.46 113.64 3hsi n PHE 164 Ca 0.04 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.34 3hsi n PHE 164 Cb 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.40 3hsi n PHE 164 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3hsi h GLU 165 N 0.00 0.23 -6.60 -1.08 -0.00 -1.98 -3.47 114.58 101.69 3hsi h GLU 165 Ca 0.00 -0.40 -0.51 0.00 -0.00 0.00 0.00 59.36 58.45 3hsi h GLU 165 Cb 0.00 0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 28.87 3hsi h GLU 165 CO 0.00 1.08 0.06 -1.59 -0.00 0.00 0.00 179.01 178.57 3hsi s LYS 166 N -2.62 4.07 0.12 1.06 -2.85 -1.26 -5.05 119.74 113.22 3hsi s LYS 166 Ca -0.09 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 3hsi s LYS 166 Cb 0.07 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 3hsi s LYS 166 CO 0.85 0.29 0.01 1.52 0.10 0.00 0.00 175.35 178.11 3hsi s TYR 167 N -1.75 0.90 -0.20 1.78 -0.85 -1.26 -4.40 117.35 111.58 3hsi s TYR 167 Ca 0.48 -1.10 0.01 0.00 -0.52 0.00 0.00 57.07 55.94 3hsi s TYR 167 Cb -0.13 -0.53 0.04 0.00 0.38 0.00 0.00 41.96 41.72 3hsi s TYR 167 CO 0.19 -0.35 -0.14 0.50 -1.52 0.00 0.00 175.55 174.23 3hsi s ARG 168 N -3.96 2.37 -0.03 -3.49 3.52 -0.67 -1.51 118.95 115.19 3hsi s ARG 168 Ca 0.19 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3hsi s ARG 168 Cb 0.07 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 3hsi s ARG 168 CO -0.01 -0.37 1.01 -0.47 -0.81 0.00 0.00 175.30 174.66 3hsi s TYR 169 N 1.32 3.58 0.10 5.12 5.04 0.01 -4.46 117.35 128.07 3hsi s TYR 169 Ca -0.00 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 3hsi s TYR 169 Cb -0.16 -3.17 -0.01 0.00 0.35 0.00 0.00 41.96 38.97 3hsi s TYR 169 CO -0.09 -0.22 0.06 -3.47 -1.34 0.00 0.00 175.55 170.49 3hsi n ASP 170 N 4.26 0.38 -4.60 4.32 -0.08 -1.26 -0.67 116.55 118.90 3hsi n ASP 170 Ca 0.07 -1.58 -0.29 0.00 -1.51 0.00 0.00 54.79 51.49 3hsi n ASP 170 Cb 0.50 0.36 -0.09 0.00 2.34 0.00 0.00 41.12 44.23 3hsi n ASP 170 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hsi s ARG 171 N -2.38 2.19 -0.06 -0.67 0.52 -1.26 -4.89 118.95 112.40 3hsi s ARG 171 Ca 0.08 -1.06 -0.02 0.00 -0.52 0.00 0.00 55.73 54.21 3hsi s ARG 171 Cb 0.00 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 33.20 3hsi s ARG 171 CO 0.06 0.49 0.11 0.71 0.02 0.00 0.00 175.30 176.69 3hsi s TYR 172 N -1.37 -0.09 -0.09 -0.53 2.02 -1.26 -4.02 117.35 112.02 3hsi s TYR 172 Ca 0.23 0.42 0.03 0.00 -0.37 0.00 0.00 57.07 57.38 3hsi s TYR 172 Cb -0.11 -0.26 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 3hsi s TYR 172 CO 0.15 -0.20 -0.17 -0.65 -1.57 0.00 0.00 175.55 173.11 3hsi s GLN 173 N 1.77 2.32 -0.25 -0.62 1.11 -0.07 -1.22 119.66 122.69 3hsi s GLN 173 Ca -0.02 -0.62 -0.08 0.00 0.01 0.00 0.00 55.36 54.65 3hsi s GLN 173 Cb -0.12 -1.84 -0.03 0.00 -1.01 0.00 0.00 33.01 30.00 3hsi s GLN 173 CO -0.05 0.07 0.10 0.21 0.01 0.00 0.00 175.29 175.63 3hsi s LYS 174 N 0.60 3.74 -0.20 2.91 2.20 0.13 -0.10 119.74 129.01 3hsi s LYS 174 Ca -0.15 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 3hsi s LYS 174 Cb -0.16 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3hsi s LYS 174 CO 0.05 -0.16 -0.10 0.42 -0.36 0.00 0.00 175.35 175.20 3hsi s ILE 175 N 1.57 1.61 -0.68 5.43 1.01 0.12 -0.96 121.20 129.30 3hsi s ILE 175 Ca 0.06 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 3hsi s ILE 175 Cb -0.15 -1.71 0.09 0.00 0.01 0.00 0.00 42.46 40.70 3hsi s ILE 175 CO 0.05 0.14 0.93 -0.89 0.00 0.00 0.00 174.94 175.18 3hsi s THR 176 N 1.41 4.48 -0.29 2.92 2.01 -0.54 0.41 115.64 126.03 3hsi s THR 176 Ca -0.02 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3hsi s THR 176 Cb -0.16 -4.66 0.19 0.00 0.01 0.00 0.00 72.50 67.88 3hsi s THR 176 CO -0.08 -1.40 0.59 -2.28 -0.69 0.00 0.00 174.62 170.76 3hsi s HIS 177 N 3.59 -1.73 0.27 4.92 5.04 -0.74 -4.82 115.29 121.82 3hsi s HIS 177 Ca 0.21 1.36 -0.01 0.00 -1.54 0.00 0.00 55.06 55.08 3hsi s HIS 177 Cb -0.17 0.42 0.51 0.00 0.04 0.00 0.00 32.58 33.38 3hsi s HIS 177 CO 0.07 -0.99 1.81 0.00 -2.34 0.00 0.00 174.74 173.28 3hsi h ALA 178 N 8.01 1.36 -0.08 1.58 0.00 -1.93 0.50 119.26 128.69 3hsi h ALA 178 Ca -0.11 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3hsi h ALA 178 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hsi h ALA 178 CO 0.20 0.10 -0.82 1.49 0.00 0.00 0.00 179.25 180.22 3hsi h GLU 179 N 0.83 0.57 -0.39 0.00 4.81 -1.97 0.19 114.58 118.62 3hsi h GLU 179 Ca 0.46 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3hsi h GLU 179 Cb 0.51 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3hsi h GLU 179 CO -0.29 1.13 0.12 1.25 -0.73 0.00 0.00 179.01 180.49 3hsi h LEU 180 N 0.37 0.58 -0.02 1.64 5.85 -1.80 -1.22 115.31 120.71 3hsi h LEU 180 Ca -0.06 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3hsi h LEU 180 Cb 1.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3hsi h LEU 180 CO 0.15 0.63 -0.01 0.00 -0.34 0.00 0.00 178.44 178.87 3hsi h ALA 181 N 0.97 0.01 -0.84 1.25 0.00 -0.68 -2.21 119.26 117.75 3hsi h ALA 181 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hsi h ALA 181 Cb 0.26 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hsi h ALA 181 CO -0.00 -0.50 0.55 -0.44 0.00 0.00 0.00 179.25 178.85 3hsi h ASP 182 N -0.01 0.84 0.00 0.00 3.32 -0.57 -2.12 116.42 117.87 3hsi h ASP 182 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hsi h ASP 182 Cb 0.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3hsi h ASP 182 CO -0.03 0.54 0.00 -0.24 -1.72 0.00 0.00 179.24 177.79 3hsi n SER 183 N -4.48 0.48 0.00 6.45 2.88 -0.47 -1.25 113.62 117.23 3hsi n SER 183 Ca 0.12 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 3hsi n SER 183 Cb 0.19 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3hsi n SER 183 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3hsi n VAL 185 N 0.45 0.00 -0.30 2.46 0.31 -0.80 -2.07 118.33 118.38 3hsi n VAL 185 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3hsi n VAL 185 Cb 0.10 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.10 3hsi n VAL 185 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hsi h ASN 186 N 0.00 0.95 -0.54 4.52 2.35 -1.43 -0.68 115.58 120.74 3hsi h ASN 186 Ca 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3hsi h ASN 186 Cb 0.00 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3hsi h ASN 186 CO 0.00 0.71 0.34 0.15 -1.65 0.00 0.00 177.43 176.97 3hsi h PHE 187 N 1.10 0.71 0.16 1.19 3.57 -1.68 0.44 116.94 122.43 3hsi h PHE 187 Ca 0.29 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hsi h PHE 187 Cb -0.09 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3hsi h PHE 187 CO -0.01 0.48 -0.08 0.82 -2.23 0.00 0.00 178.31 177.29 3hsi h ILE 188 N 0.73 0.91 -0.12 1.41 2.04 -1.78 0.50 117.51 121.20 3hsi h ILE 188 Ca 0.20 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3hsi h ILE 188 Cb -0.03 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3hsi h ILE 188 CO -0.04 0.07 0.02 0.78 0.00 0.00 0.00 178.15 178.98 3hsi h ASN 189 N -0.35 0.19 -0.00 1.72 2.35 -0.94 0.16 115.58 118.72 3hsi h ASN 189 Ca -0.02 -0.26 -0.22 0.00 -0.55 0.00 0.00 56.30 55.24 3hsi h ASN 189 Cb 0.27 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.60 3hsi h ASN 189 CO 0.04 0.41 -0.81 0.44 -1.65 0.00 0.00 177.43 175.85 3hsi h ASP 190 N -0.03 0.81 0.00 5.81 3.32 -0.08 -3.38 116.42 122.88 3hsi h ASP 190 Ca 0.04 -0.55 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 3hsi h ASP 190 Cb 0.30 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hsi h ASP 190 CO 0.00 1.34 -1.43 -1.22 -1.72 0.00 0.00 179.24 176.21 3hsi n TYR 191 N -3.89 0.00 -0.03 4.55 4.01 0.17 -4.84 117.16 117.13 3hsi n TYR 191 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.53 3hsi n TYR 191 Cb 0.76 -0.28 -0.11 0.00 -0.31 0.00 0.00 39.34 39.41 3hsi n TYR 191 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hsi h LEU 192 N -0.17 0.15 -5.34 7.72 3.38 -0.92 -3.37 115.31 116.77 3hsi h LEU 192 Ca -0.18 -0.68 -0.65 0.00 0.09 0.00 0.00 57.88 56.46 3hsi h LEU 192 Cb 1.21 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hsi h LEU 192 CO -0.08 0.80 3.50 0.18 0.09 0.00 0.00 178.44 182.94 3hsi n LEU 193 N -4.63 7.75 -4.53 1.67 4.77 0.52 -4.89 117.00 117.66 3hsi n LEU 193 Ca -0.09 -4.10 -0.42 0.00 -0.03 0.00 0.00 56.01 51.36 3hsi n LEU 193 Cb 0.40 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 39.90 3hsi n LEU 193 CO 0.37 1.60 0.29 -0.62 -1.33 0.00 0.00 177.39 177.70 3hsi s ASP 194 N 2.65 6.30 0.00 -1.43 2.15 -1.26 -4.90 116.67 120.19 3hsi s ASP 194 Ca 0.61 -0.28 0.22 0.00 0.43 0.00 0.00 52.55 53.52 3hsi s ASP 194 Cb 0.16 -2.29 1.23 0.00 -0.30 0.00 0.00 42.92 41.72 3hsi s ASP 194 CO -0.06 -0.65 1.69 0.49 -0.17 0.00 0.00 175.17 176.48 3hsi n PHE 195 N 5.98 0.00 0.41 -5.34 3.72 -1.26 -0.90 117.46 120.07 3hsi n PHE 195 Ca -0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 3hsi n PHE 195 Cb 0.48 -0.11 0.48 0.00 -0.94 0.00 0.00 39.48 39.39 3hsi n PHE 195 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hsi h SER 196 N 0.00 0.00 0.00 4.37 4.64 -1.97 -3.38 113.55 117.21 3hsi h SER 196 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hsi h SER 196 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hsi h SER 196 CO 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 175.29 3hsi n ALA 197 N -1.88 1.59 -2.68 5.18 0.00 -0.43 -4.78 120.51 117.51 3hsi n ALA 197 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3hsi n ALA 197 Cb 0.33 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 3hsi n ALA 197 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hsi s VAL 198 N -1.59 5.15 0.06 0.00 1.01 -0.08 -4.56 120.40 120.40 3hsi s VAL 198 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 61.98 62.95 3hsi s VAL 198 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3hsi s VAL 198 CO 0.00 0.23 -0.21 -0.31 0.00 0.00 0.00 175.10 174.81 3hsi s TYR 199 N 1.32 1.85 0.26 5.22 2.02 -1.11 -4.48 117.35 122.43 3hsi s TYR 199 Ca 0.23 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 3hsi s TYR 199 Cb -0.15 -1.07 -0.10 0.00 -0.40 0.00 0.00 41.96 40.23 3hsi s TYR 199 CO 0.09 0.13 1.49 -1.25 -1.57 0.00 0.00 175.55 174.45 3hsi s PRO 200 N -1.42 4.22 0.00 -1.71 0.04 -1.26 -0.16 135.00 134.71 3hsi s PRO 200 Ca 0.08 2.40 0.23 0.00 0.04 0.00 0.00 61.00 63.74 3hsi s PRO 200 Cb -0.09 -3.08 0.13 0.00 0.04 0.00 0.00 34.50 31.49 3hsi s PRO 200 CO 0.03 -0.50 1.15 1.28 0.04 0.00 0.00 177.00 179.00 3hsi n LEU 201 N 2.32 0.91 -1.94 -3.56 4.77 0.11 -4.34 117.00 115.27 3hsi n LEU 201 Ca 0.07 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 3hsi n LEU 201 Cb 0.39 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.58 3hsi n LEU 201 CO 0.62 0.21 1.06 -0.90 -1.33 0.00 0.00 177.39 177.05 3hsi n ASP 202 N -1.30 3.98 -4.35 -1.43 5.68 -1.24 -4.43 116.55 113.45 3hsi n ASP 202 Ca 0.06 -3.20 -0.19 0.00 -0.50 0.00 0.00 54.79 50.95 3hsi n ASP 202 Cb 0.35 -0.75 -0.10 0.00 -1.14 0.00 0.00 41.12 39.47 3hsi n ASP 202 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3hsi s VAL 203 N -2.68 1.79 0.15 2.12 -7.23 -1.26 -4.39 120.40 108.90 3hsi s VAL 203 Ca 0.47 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3hsi s VAL 203 Cb 0.39 -2.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.19 3hsi s VAL 203 CO 0.10 -0.52 1.38 0.71 -0.31 0.00 0.00 175.10 176.46 3hsi h THR 204 N 2.72 1.38 -1.97 5.32 1.35 -1.94 -3.36 112.91 116.40 3hsi h THR 204 Ca -0.39 -2.25 -0.78 0.00 -0.55 0.00 0.00 66.41 62.44 3hsi h THR 204 Cb 1.22 2.22 -0.21 0.00 -1.73 0.00 0.00 68.15 69.65 3hsi h THR 204 CO 0.59 0.68 1.52 0.59 -0.25 0.00 0.00 175.52 178.65 3hsi n ASN 205 N -3.81 6.78 -4.76 5.36 4.13 -1.26 -4.98 115.26 116.72 3hsi n ASN 205 Ca -0.05 -3.36 -0.40 0.00 1.68 0.00 0.00 54.58 52.45 3hsi n ASN 205 Cb 0.76 -1.31 -0.06 0.00 -1.54 0.00 0.00 39.78 37.63 3hsi n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hsi s ARG 206 N -2.12 4.63 0.80 3.52 0.52 -1.26 -5.04 118.95 120.00 3hsi s ARG 206 Ca 0.41 1.24 -0.12 0.00 -0.52 0.00 0.00 55.73 56.74 3hsi s ARG 206 Cb 0.13 -3.30 0.08 0.00 0.52 0.00 0.00 34.95 32.38 3hsi s ARG 206 CO -0.03 0.46 1.14 -1.25 0.02 0.00 0.00 175.30 175.64 3hsi s PRO 207 N -0.79 1.84 0.38 3.54 0.04 -1.26 -5.02 135.00 133.73 3hsi s PRO 207 Ca 0.39 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 3hsi s PRO 207 Cb -0.23 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3hsi s PRO 207 CO 0.27 -2.00 0.82 1.03 0.04 0.00 0.00 177.00 177.16 3hsi s ARG 208 N -4.53 4.02 0.12 4.56 0.52 -1.26 -5.01 118.95 117.37 3hsi s ARG 208 Ca 0.66 0.78 -0.32 0.00 -0.52 0.00 0.00 55.73 56.33 3hsi s ARG 208 Cb -0.22 -2.34 -0.12 0.00 0.52 0.00 0.00 34.95 32.80 3hsi s ARG 208 CO 0.53 0.05 1.53 1.15 0.02 0.00 0.00 175.30 178.57 3hsi h THR 209 N 1.74 0.00 -1.29 0.02 2.02 -1.96 -1.42 112.91 112.03 3hsi h THR 209 Ca -0.48 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.07 3hsi h THR 209 Cb 1.18 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3hsi h THR 209 CO 0.64 0.00 0.92 0.07 0.37 0.00 0.00 175.52 177.52 3hsi h LYS 210 N -0.51 0.02 0.00 6.66 2.10 -1.95 1.08 116.57 123.96 3hsi h LYS 210 Ca 0.04 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.63 3hsi h LYS 210 Cb 0.63 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 3hsi h LYS 210 CO -0.46 0.01 -0.30 1.49 -2.00 0.00 0.00 179.45 178.19 3hsi h GLU 211 N 0.02 0.00 0.00 0.07 4.81 -1.65 -3.30 114.58 114.52 3hsi h GLU 211 Ca 0.62 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.83 3hsi h GLU 211 Cb 2.45 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.77 3hsi h GLU 211 CO -0.03 0.30 -0.37 0.44 -0.73 0.00 0.00 179.01 178.62 3hsi n ILE 212 N -3.44 1.39 -0.07 2.32 -5.35 0.37 -4.88 119.36 109.70 3hsi n ILE 212 Ca 0.00 -1.98 -0.07 0.00 -0.27 0.00 0.00 62.75 60.43 3hsi n ILE 212 Cb 0.48 0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.43 3hsi n ILE 212 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3hsi h ARG 213 N 0.42 -0.04 -0.89 6.28 3.08 -1.47 -1.40 114.38 120.36 3hsi h ARG 213 Ca -0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3hsi h ARG 213 Cb 1.19 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 3hsi h ARG 213 CO 0.01 -0.03 0.59 0.78 -1.07 0.00 0.00 179.97 180.26 3hsi h GLY 214 N -0.04 1.26 0.98 0.04 0.00 -1.89 -1.23 103.07 102.19 3hsi h GLY 214 Ca 0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3hsi h GLY 214 CO -0.32 0.43 -0.13 3.43 0.00 0.00 0.00 176.54 179.95 3hsi h ASN 215 N 1.17 0.77 0.06 0.19 2.35 -1.79 -2.09 115.58 116.25 3hsi h ASN 215 Ca 0.34 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3hsi h ASN 215 Cb -0.08 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 3hsi h ASN 215 CO -0.08 0.98 -0.20 0.40 -1.65 0.00 0.00 177.43 176.87 3hsi h ILE 216 N 0.56 0.53 -0.04 2.81 1.08 -0.47 -0.07 117.51 121.92 3hsi h ILE 216 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3hsi h ILE 216 Cb 0.66 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 3hsi h ILE 216 CO 0.05 0.00 -0.49 0.03 -0.69 0.00 0.00 178.15 177.05 3hsi h ARG 217 N -0.36 -0.59 -0.81 2.37 3.08 -1.17 0.28 114.38 117.18 3hsi h ARG 217 Ca 0.04 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.23 3hsi h ARG 217 Cb 0.40 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3hsi h ARG 217 CO -0.15 -0.39 0.53 0.00 -1.07 0.00 0.00 179.97 178.89 3hsi h ALA 218 N -0.21 1.77 -0.41 0.04 0.00 -1.26 -1.82 119.26 117.37 3hsi h ALA 218 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3hsi h ALA 218 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hsi h ALA 218 CO -0.37 0.05 -0.08 -0.92 0.00 0.00 0.00 179.25 177.93 3hsi h TYR 219 N 0.72 0.88 0.01 0.00 3.20 -0.14 -1.60 116.97 120.04 3hsi h TYR 219 Ca 0.38 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3hsi h TYR 219 Cb 0.49 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3hsi h TYR 219 CO -0.00 0.90 -0.00 -0.09 -1.64 0.00 0.00 178.16 177.32 3hsi h ARG 220 N 0.61 -0.01 -0.71 1.82 2.43 -0.58 -0.63 114.38 117.31 3hsi h ARG 220 Ca 0.11 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3hsi h ARG 220 Cb 0.60 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 3hsi h ARG 220 CO 0.04 0.21 0.41 -0.22 -1.51 0.00 0.00 179.97 178.90 3hsi h LYS 221 N -0.23 0.73 -0.26 0.20 3.64 -1.34 0.12 116.57 119.43 3hsi h LYS 221 Ca -0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3hsi h LYS 221 Cb 0.23 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3hsi h LYS 221 CO 0.00 0.48 -0.04 0.22 -2.27 0.00 0.00 179.45 177.84 3hsi h ASP 222 N 0.75 0.49 -0.57 4.20 3.58 -1.11 -2.40 116.42 121.36 3hsi h ASP 222 Ca 0.32 -0.35 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 3hsi h ASP 222 Cb 0.19 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3hsi h ASP 222 CO -0.18 0.72 0.04 0.25 -2.88 0.00 0.00 179.24 177.19 3hsi h LEU 223 N 0.24 0.95 -0.86 2.28 5.85 -0.67 -0.00 115.31 123.11 3hsi h LEU 223 Ca 0.07 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3hsi h LEU 223 Cb 0.50 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hsi h LEU 223 CO 0.02 1.00 0.53 0.00 -0.34 0.00 0.00 178.44 179.65 3hsi h ALA 224 N 0.98 1.09 0.00 1.25 0.00 -0.77 0.21 119.26 122.02 3hsi h ALA 224 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3hsi h ALA 224 Cb 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hsi h ALA 224 CO 0.02 0.54 -1.12 -0.56 0.00 0.00 0.00 179.25 178.14 3hsi h GLN 225 N 1.18 0.00 0.00 0.00 3.07 -1.19 -3.42 115.11 114.74 3hsi h GLN 225 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.04 3hsi h GLN 225 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.49 3hsi h GLN 225 CO -0.06 0.34 -1.14 0.09 0.09 0.00 0.00 178.83 178.15 3hsi n ASN 226 N -2.98 4.34 -4.70 0.06 3.02 -0.03 -5.02 115.26 109.95 3hsi n ASN 226 Ca -0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.06 3hsi n ASN 226 Cb 0.79 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.95 3hsi n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hsi n GLY 227 N 2.43 1.45 3.47 7.41 0.00 0.05 -4.97 105.19 115.04 3hsi n GLY 227 Ca -0.01 0.65 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 3hsi n GLY 227 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hsi s GLU 228 N 1.43 1.15 0.30 1.61 -1.05 -1.26 -4.88 118.70 115.99 3hsi s GLU 228 Ca 0.78 -0.06 -0.10 0.00 -0.15 0.00 0.00 54.97 55.43 3hsi s GLU 228 Cb -0.55 0.53 -0.07 0.00 -0.44 0.00 0.00 34.13 33.60 3hsi s GLU 228 CO 0.35 -0.42 0.65 0.71 0.95 0.00 0.00 175.26 177.49 3hsi s TYR 229 N -2.28 3.43 0.04 4.83 2.02 -1.26 -4.86 117.35 119.27 3hsi s TYR 229 Ca -0.06 0.96 0.08 0.00 -0.37 0.00 0.00 57.07 57.67 3hsi s TYR 229 Cb -0.00 -2.34 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 3hsi s TYR 229 CO 0.00 0.12 -0.20 -1.12 -1.57 0.00 0.00 175.55 172.78 3hsi s SER 230 N -2.66 3.61 0.06 2.29 0.01 -1.26 -5.05 113.70 110.70 3hsi s SER 230 Ca 0.49 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.38 3hsi s SER 230 Cb -0.11 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 3hsi s SER 230 CO 0.24 0.26 -0.25 -0.76 0.41 0.00 0.00 173.24 173.14 3hsi s LEU 231 N -1.32 2.27 -0.18 2.44 1.43 -1.26 -4.69 118.68 117.38 3hsi s LEU 231 Ca 0.13 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 3hsi s LEU 231 Cb -0.10 -1.31 -0.21 0.00 0.03 0.00 0.00 46.19 44.59 3hsi s LEU 231 CO 0.04 0.24 0.23 0.29 0.23 0.00 0.00 176.35 177.38 3hsi n LYS 232 N 1.54 0.64 -1.58 1.70 5.02 -1.26 -4.62 118.16 119.60 3hsi n LYS 232 Ca -0.17 0.43 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 3hsi n LYS 232 Cb 0.52 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3hsi n LYS 232 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hsi n SER 233 N -4.05 5.31 -4.75 4.39 3.41 -1.26 -5.03 113.62 111.64 3hsi n SER 233 Ca -0.34 -3.77 -0.40 0.00 -0.26 0.00 0.00 58.87 54.10 3hsi n SER 233 Cb 0.84 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 3hsi n SER 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsi s ALA 234 N -3.60 3.33 0.23 7.33 0.00 -1.26 -4.76 121.76 123.02 3hsi s ALA 234 Ca 0.54 0.66 0.10 0.00 0.00 0.00 0.00 51.96 53.27 3hsi s ALA 234 Cb 0.44 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3hsi s ALA 234 CO 0.02 0.08 -0.19 0.14 0.00 0.00 0.00 175.76 175.80 3hsi s VAL 235 N -0.84 2.19 0.31 0.00 -7.23 -0.67 -4.78 120.40 109.38 3hsi s VAL 235 Ca 0.43 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.20 3hsi s VAL 235 Cb -0.26 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 3hsi s VAL 235 CO 0.33 -0.39 0.76 -0.54 -0.31 0.00 0.00 175.10 174.95 3hsi s LYS 236 N -3.31 4.11 -1.23 4.82 1.02 -1.26 -1.29 119.74 122.59 3hsi s LYS 236 Ca 0.25 0.79 -0.33 0.00 0.02 0.00 0.00 55.97 56.70 3hsi s LYS 236 Cb -0.05 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3hsi s LYS 236 CO 0.11 0.20 0.65 1.28 -0.92 0.00 0.00 175.35 176.66 3hsi n LEU 237 N -0.11 -0.31 -4.70 3.17 4.77 -1.26 -4.92 117.00 113.64 3hsi n LEU 237 Ca 0.02 -1.30 -0.30 0.00 -0.03 0.00 0.00 56.01 54.41 3hsi n LEU 237 Cb 0.53 -1.63 0.15 0.00 -2.33 0.00 0.00 43.42 40.13 3hsi n LEU 237 CO 0.41 0.80 0.66 -2.16 -1.33 0.00 0.00 177.39 175.77 3hsi s PRO 238 N -7.43 1.09 -0.32 3.23 0.04 -1.26 -4.93 135.00 125.42 3hsi s PRO 238 Ca 0.47 0.84 0.09 0.00 0.04 0.00 0.00 61.00 62.44 3hsi s PRO 238 Cb -0.26 -1.79 0.61 0.00 0.04 0.00 0.00 34.50 33.11 3hsi s PRO 238 CO 0.97 -2.36 1.66 -1.71 0.04 0.00 0.00 177.00 175.60 3hsi n ASN 239 N -3.97 3.62 -3.82 6.66 5.15 -1.26 -4.91 115.26 116.74 3hsi n ASN 239 Ca 0.07 -3.47 -0.11 0.00 -0.60 0.00 0.00 54.58 50.46 3hsi n ASN 239 Cb 0.55 -0.70 -0.08 0.00 -0.53 0.00 0.00 39.78 39.02 3hsi n ASN 239 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hsi s VAL 240 N -3.13 0.09 0.15 3.44 0.11 -1.26 -4.79 120.40 115.01 3hsi s VAL 240 Ca 0.50 -0.76 -0.34 0.00 -2.93 0.00 0.00 61.98 58.46 3hsi s VAL 240 Cb 0.42 -0.79 -0.16 0.00 -1.53 0.00 0.00 36.38 34.32 3hsi s VAL 240 CO 0.07 -0.42 1.18 -0.11 -3.33 0.00 0.00 175.10 172.50 3hsi n LEU 241 N 0.88 1.44 -3.60 2.54 7.94 -1.26 -4.69 117.00 120.25 3hsi n LEU 241 Ca -0.20 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 55.73 3hsi n LEU 241 Cb 0.58 -1.19 -0.04 0.00 0.53 0.00 0.00 43.42 43.29 3hsi n LEU 241 CO 0.22 -1.30 0.20 -0.44 -1.11 0.00 0.00 177.39 174.96 3hsi s SER 242 N 0.08 -0.30 -0.02 1.96 0.01 0.32 -0.71 113.70 115.04 3hsi s SER 242 Ca 0.76 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.78 3hsi s SER 242 Cb -0.89 0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3hsi s SER 242 CO 0.51 -0.88 -0.07 0.54 0.41 0.00 0.00 173.24 173.76 3hsi s VAL 243 N -3.80 0.60 -0.17 3.43 0.11 0.07 -0.23 120.40 120.42 3hsi s VAL 243 Ca 0.03 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3hsi s VAL 243 Cb 0.01 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3hsi s VAL 243 CO -0.12 0.19 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.22 3hsi s SER 244 N 0.20 2.95 0.09 3.54 0.15 0.92 -1.01 113.70 120.54 3hsi s SER 244 Ca -0.02 -0.70 -0.27 0.00 0.70 0.00 0.00 55.95 55.66 3hsi s SER 244 Cb -0.07 -1.01 -0.06 0.00 -1.71 0.00 0.00 66.02 63.17 3hsi s SER 244 CO 0.00 -0.17 0.83 -2.16 1.20 0.00 0.00 173.24 172.94 3hsi s PRO 245 N 1.57 4.58 0.03 5.44 0.04 -1.26 -1.06 135.00 144.33 3hsi s PRO 245 Ca 0.01 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.29 3hsi s PRO 245 Cb -0.15 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3hsi s PRO 245 CO -0.08 0.31 -0.12 -0.51 0.04 0.00 0.00 177.00 176.64 3hsi s LEU 246 N -0.21 2.14 0.04 -3.56 1.43 0.75 -4.61 118.68 114.65 3hsi s LEU 246 Ca 0.41 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3hsi s LEU 246 Cb -0.22 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 3hsi s LEU 246 CO 0.26 0.03 -0.12 0.12 0.23 0.00 0.00 176.35 176.86 3hsi s PHE 247 N -0.74 1.07 -0.15 0.29 5.36 -1.26 -1.08 117.98 121.47 3hsi s PHE 247 Ca 0.01 -0.35 -0.13 0.00 -0.96 0.00 0.00 56.93 55.49 3hsi s PHE 247 Cb -0.07 -0.64 0.04 0.00 -0.34 0.00 0.00 43.02 42.01 3hsi s PHE 247 CO 0.01 0.01 0.39 0.20 -1.46 0.00 0.00 175.22 174.37 3hsi s GLY 248 N -1.13 -0.29 -0.15 13.12 0.00 -0.35 -3.00 107.32 115.52 3hsi s GLY 248 Ca -0.00 1.09 -0.06 0.00 0.00 0.00 0.00 44.72 45.75 3hsi s GLY 248 CO 0.01 0.94 0.32 -2.27 0.00 0.00 0.00 173.10 172.11 3hsi s LEU 249 N 0.21 -0.17 0.00 0.66 2.96 -1.26 -0.44 118.68 120.64 3hsi s LEU 249 Ca -0.00 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 3hsi s LEU 249 Cb -0.03 0.99 0.00 0.00 0.50 0.00 0.00 46.19 47.65 3hsi s LEU 249 CO 0.01 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3hsi n GLY 250 N 4.86 0.15 0.09 7.98 0.00 -1.25 -4.64 105.19 112.38 3hsi n GLY 250 Ca -0.15 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 3hsi n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsi h ALA 251 N 0.00 0.29 -2.70 4.61 0.00 -1.72 -3.41 119.26 116.33 3hsi h ALA 251 Ca 0.00 -0.86 -0.65 0.00 0.00 0.00 0.00 54.91 53.40 3hsi h ALA 251 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3hsi h ALA 251 CO 0.00 1.07 -0.45 -1.54 0.00 0.00 0.00 179.25 178.32 3hsi s SER 252 N -6.93 6.42 -1.75 0.00 1.04 -1.26 -4.40 113.70 106.82 3hsi s SER 252 Ca -0.02 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.89 3hsi s SER 252 Cb 0.09 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.15 3hsi s SER 252 CO 0.85 0.34 0.00 0.61 0.98 0.00 0.00 173.24 176.02 3hsi n GLY 253 N 1.54 -0.42 3.49 7.32 0.00 -1.26 -4.92 105.19 110.94 3hsi n GLY 253 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3hsi n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsi s ASN 254 N -2.07 6.23 0.13 1.61 3.84 -1.26 -4.93 114.94 118.48 3hsi s ASN 254 Ca 0.00 -0.70 -0.17 0.00 0.21 0.00 0.00 52.86 52.20 3hsi s ASN 254 Cb 0.00 -2.45 -0.02 0.00 -0.55 0.00 0.00 41.25 38.23 3hsi s ASN 254 CO 0.00 -1.43 1.73 -0.08 -2.79 0.00 0.00 177.10 174.53 3hsi h GLU 255 N 9.55 0.47 -0.13 0.43 4.81 -1.92 -0.68 114.58 127.11 3hsi h GLU 255 Ca -0.28 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 3hsi h GLU 255 Cb 1.07 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3hsi h GLU 255 CO 1.17 0.39 -0.14 1.25 -0.73 0.00 0.00 179.01 180.94 3hsi h LEU 256 N 0.42 -0.44 -0.92 1.64 5.85 -1.89 0.13 115.31 120.10 3hsi h LEU 256 Ca 0.12 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3hsi h LEU 256 Cb 0.06 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3hsi h LEU 256 CO -0.02 -0.19 0.16 0.78 -0.34 0.00 0.00 178.44 178.84 3hsi h ASN 257 N -0.18 0.89 -0.58 1.25 2.35 -1.85 -0.80 115.58 116.67 3hsi h ASN 257 Ca 0.09 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3hsi h ASN 257 Cb 0.31 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3hsi h ASN 257 CO -0.23 0.86 0.36 1.56 -1.65 0.00 0.00 177.43 178.33 3hsi h GLN 258 N 0.92 0.71 -0.23 0.81 4.20 -0.73 -0.99 115.11 119.80 3hsi h GLN 258 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3hsi h GLN 258 Cb 0.31 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3hsi h GLN 258 CO -0.00 0.47 0.13 0.28 -0.67 0.00 0.00 178.83 179.04 3hsi h VAL 259 N 0.73 1.10 -0.24 -0.54 2.07 -0.29 -0.80 116.25 118.28 3hsi h VAL 259 Ca 0.22 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3hsi h VAL 259 Cb -0.02 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3hsi h VAL 259 CO -0.08 0.10 0.02 0.40 0.02 0.00 0.00 177.57 178.03 3hsi h ILE 260 N 0.27 0.85 -0.75 4.57 2.04 -0.99 0.25 117.51 123.76 3hsi h ILE 260 Ca 0.08 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3hsi h ILE 260 Cb 0.04 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3hsi h ILE 260 CO -0.01 0.02 0.44 -0.33 0.00 0.00 0.00 178.15 178.27 3hsi h GLU 261 N 0.10 0.79 -0.08 2.37 5.08 -1.07 -1.24 114.58 120.53 3hsi h GLU 261 Ca 0.11 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3hsi h GLU 261 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hsi h GLU 261 CO -0.17 0.52 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.37 3hsi h ASP 262 N 0.81 0.28 -0.42 1.42 3.32 -0.68 -2.07 116.42 119.08 3hsi h ASP 262 Ca 0.33 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hsi h ASP 262 Cb 0.18 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3hsi h ASP 262 CO -0.18 0.77 0.27 -0.07 -1.72 0.00 0.00 179.24 178.32 3hsi h LEU 263 N 0.19 0.48 -0.93 1.55 3.38 0.25 -1.74 115.31 118.50 3hsi h LEU 263 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hsi h LEU 263 Cb 1.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3hsi h LEU 263 CO 0.09 0.35 0.06 -0.26 0.09 0.00 0.00 178.44 178.77 3hsi h PHE 264 N 0.56 0.89 0.00 1.13 0.05 -1.07 -2.23 116.94 116.28 3hsi h PHE 264 Ca 0.15 -0.11 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 3hsi h PHE 264 Cb -0.06 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.64 3hsi h PHE 264 CO -0.05 0.78 -0.24 -0.07 -0.18 0.00 0.00 178.31 178.56 3hsi h LEU 265 N 0.80 0.00 -3.06 1.54 3.38 -1.18 -3.27 115.31 113.51 3hsi h LEU 265 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hsi h LEU 265 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hsi h LEU 265 CO 0.01 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3hsi n GLN 266 N -3.38 3.51 -1.80 1.13 1.13 -0.67 -4.95 117.38 112.35 3hsi n GLN 266 Ca 0.00 -2.82 -0.42 0.00 -1.94 0.00 0.00 57.00 51.82 3hsi n GLN 266 Cb 0.45 -1.81 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 3hsi n GLN 266 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hsi s VAL 267 N -1.68 2.64 -0.17 5.09 1.01 -1.13 -4.91 120.40 121.25 3hsi s VAL 267 Ca 0.50 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.78 3hsi s VAL 267 Cb 0.31 -3.14 -0.23 0.00 0.00 0.00 0.00 36.38 33.32 3hsi s VAL 267 CO 0.26 0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.52 3hsi n GLN 268 N 5.33 0.68 0.07 2.72 1.13 -1.26 -4.90 117.38 121.15 3hsi n GLN 268 Ca 0.17 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 3hsi n GLN 268 Cb 0.39 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3hsi n GLN 268 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3hsi n LYS 269 N -3.05 0.00 -3.81 -1.09 5.02 -1.26 -4.89 118.16 109.08 3hsi n LYS 269 Ca -0.33 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.84 3hsi n LYS 269 Cb 1.08 -0.21 -0.13 0.00 -0.02 0.00 0.00 35.03 35.75 3hsi n LYS 269 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hsi s LYS 270 N -2.00 0.18 -0.11 1.97 2.20 -1.26 -0.27 119.74 120.46 3hsi s LYS 270 Ca 0.00 0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3hsi s LYS 270 Cb 0.00 0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3hsi s LYS 270 CO 0.00 -0.04 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.56 3hsi s LEU 271 N 0.19 2.20 -0.06 5.43 2.96 -0.04 -0.49 118.68 128.88 3hsi s LEU 271 Ca -0.01 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 3hsi s LEU 271 Cb -0.02 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3hsi s LEU 271 CO -0.00 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 3hsi s VAL 272 N 0.36 2.83 -0.02 1.68 1.01 -0.24 -0.81 120.40 125.19 3hsi s VAL 272 Ca -0.17 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3hsi s VAL 272 Cb -0.18 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3hsi s VAL 272 CO 0.08 0.58 -0.05 -0.63 0.00 0.00 0.00 175.10 175.08 3hsi s ILE 273 N -0.52 0.52 -0.11 2.22 1.01 -0.26 -0.96 121.20 123.10 3hsi s ILE 273 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 3hsi s ILE 273 Cb -0.11 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3hsi s ILE 273 CO 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 174.94 175.04 3hsi s THR 275 N -0.07 0.03 0.06 0.00 -1.32 -1.06 -1.75 115.64 111.53 3hsi s THR 275 Ca -0.01 -0.27 -0.26 0.00 -1.21 0.00 0.00 61.69 59.95 3hsi s THR 275 Cb -0.14 -0.43 -0.17 0.00 -1.51 0.00 0.00 72.50 70.25 3hsi s THR 275 CO 0.03 -0.15 1.57 -0.65 -2.21 0.00 0.00 174.62 173.22 3hsi h PRO 276 N 4.98 -0.22 -6.40 7.08 0.11 -1.74 -3.38 132.00 132.43 3hsi h PRO 276 Ca -0.28 0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.16 3hsi h PRO 276 Cb 1.19 0.05 -0.22 0.00 0.11 0.00 0.00 31.00 32.13 3hsi h PRO 276 CO 0.37 -0.04 -0.77 0.71 -0.21 0.00 0.00 178.00 178.06 3hsi s TYR 277 N -5.65 2.68 -0.92 0.65 2.02 -1.26 -3.46 117.35 111.42 3hsi s TYR 277 Ca -0.14 -0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.14 3hsi s TYR 277 Cb 0.04 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3hsi s TYR 277 CO 0.64 0.24 1.77 0.12 -1.57 0.00 0.00 175.55 176.74 3hsi s PHE 278 N -0.84 2.04 -0.44 2.71 5.36 -1.26 -4.75 117.98 120.80 3hsi s PHE 278 Ca 0.13 0.17 0.07 0.00 -0.96 0.00 0.00 56.93 56.34 3hsi s PHE 278 Cb -0.11 -4.27 0.30 0.00 -0.34 0.00 0.00 43.02 38.61 3hsi s PHE 278 CO 0.03 -1.85 0.95 -1.71 -1.46 0.00 0.00 175.22 171.18 3hsi n ASN 279 N 12.19 -1.64 -4.77 6.13 5.15 -1.26 -4.71 115.26 126.34 3hsi n ASN 279 Ca 0.36 -3.41 -0.38 0.00 -0.60 0.00 0.00 54.58 50.55 3hsi n ASN 279 Cb 0.49 1.22 -0.02 0.00 -0.53 0.00 0.00 39.78 40.93 3hsi n ASN 279 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3hsi s PHE 280 N -0.29 3.08 0.51 1.20 0.08 -1.25 -4.08 117.98 117.24 3hsi s PHE 280 Ca 0.29 1.57 -0.21 0.00 0.12 0.00 0.00 56.93 58.69 3hsi s PHE 280 Cb 0.28 -3.32 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 3hsi s PHE 280 CO -0.10 -1.18 1.03 -2.30 -0.10 0.00 0.00 175.22 172.56 3hsi n PRO 281 N -0.08 1.22 -0.36 0.24 -0.02 -1.25 -4.71 135.00 130.04 3hsi n PRO 281 Ca 0.05 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3hsi n PRO 281 Cb 0.48 -2.16 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 3hsi n PRO 281 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hsi h ARG 282 N 1.10 0.78 -0.54 -0.52 -0.00 -1.99 -0.67 114.38 112.55 3hsi h ARG 282 Ca -0.47 -0.05 0.02 0.00 -0.00 0.00 0.00 59.98 59.49 3hsi h ARG 282 Cb 1.34 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.97 31.11 3hsi h ARG 282 CO 0.54 0.52 0.36 0.00 -0.00 0.00 0.00 179.97 181.39 3hsi h THR 283 N 0.81 1.09 0.00 0.08 1.03 -2.00 -1.09 112.91 112.82 3hsi h THR 283 Ca 0.57 -0.23 -0.20 0.00 -0.01 0.00 0.00 66.41 66.54 3hsi h THR 283 Cb 0.83 0.37 -0.03 0.00 -1.07 0.00 0.00 68.15 68.25 3hsi h THR 283 CO -0.36 0.12 -0.98 -0.07 -0.01 0.00 0.00 175.52 174.22 3hsi h LEU 284 N 0.66 0.00 -0.25 0.00 3.38 -1.50 -2.77 115.31 114.84 3hsi h LEU 284 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3hsi h LEU 284 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hsi h LEU 284 CO -0.05 0.91 -0.00 1.56 0.09 0.00 0.00 178.44 180.94 3hsi h GLN 285 N 0.00 0.44 -0.82 1.13 4.20 -0.69 -1.41 115.11 117.95 3hsi h GLN 285 Ca -0.03 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.59 3hsi h GLN 285 Cb 1.72 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.41 3hsi h GLN 285 CO 0.11 0.62 0.51 0.45 -0.67 0.00 0.00 178.83 179.85 3hsi h HIS 286 N 0.21 0.94 -0.15 2.96 3.86 -1.26 -1.66 115.15 120.05 3hsi h HIS 286 Ca 0.07 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 3hsi h HIS 286 Cb 0.42 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3hsi h HIS 286 CO 0.04 0.49 -0.43 0.87 0.86 0.00 0.00 177.93 179.75 3hsi h LYS 287 N 0.94 0.35 -0.74 2.45 1.57 -1.18 -2.00 116.57 117.96 3hsi h LYS 287 Ca 0.35 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3hsi h LYS 287 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hsi h LYS 287 CO -0.16 0.72 0.33 0.82 -0.57 0.00 0.00 179.45 180.59 3hsi h ILE 288 N 0.29 1.24 -0.55 1.86 2.04 -0.98 -2.30 117.51 119.11 3hsi h ILE 288 Ca 0.02 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 3hsi h ILE 288 Cb 0.89 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3hsi h ILE 288 CO 0.07 0.30 0.14 0.00 0.00 0.00 0.00 178.15 178.66 3hsi h ALA 289 N 1.16 1.21 -0.24 1.87 0.00 -0.89 -1.26 119.26 121.11 3hsi h ALA 289 Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3hsi h ALA 289 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hsi h ALA 289 CO -0.03 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 180.85 3hsi h THR 290 N 0.81 1.29 -0.38 0.00 2.02 -1.20 0.06 112.91 115.50 3hsi h THR 290 Ca 0.18 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.34 3hsi h THR 290 Cb 0.29 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 3hsi h THR 290 CO -0.00 0.33 0.10 -0.07 0.37 0.00 0.00 175.52 176.25 3hsi h LEU 291 N 0.21 0.06 -0.63 2.58 3.38 -1.21 -0.46 115.31 119.24 3hsi h LEU 291 Ca 0.06 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3hsi h LEU 291 Cb 0.53 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3hsi h LEU 291 CO 0.03 0.07 0.04 -0.07 0.09 0.00 0.00 178.44 178.59 3hsi h LEU 292 N 0.23 1.05 -1.91 1.67 3.38 -1.11 -1.25 115.31 117.38 3hsi h LEU 292 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hsi h LEU 292 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hsi h LEU 292 CO -0.22 1.08 -0.09 -0.33 0.09 0.00 0.00 178.44 178.97 3hsi h GLU 293 N 0.99 0.00 -0.44 1.13 5.08 -0.51 -3.00 114.58 117.83 3hsi h GLU 293 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hsi h GLU 293 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hsi h GLU 293 CO 0.03 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 3hsi n ASN 294 N -3.45 4.49 0.00 1.42 3.02 -0.22 -4.96 115.26 115.55 3hsi n ASN 294 Ca -0.01 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 3hsi n ASN 294 Cb 0.24 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3hsi n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hsi n GLY 295 N 0.25 0.74 3.85 7.41 0.00 -1.03 -5.01 105.19 111.39 3hsi n GLY 295 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3hsi n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsi s LYS 296 N -0.10 3.78 0.23 1.61 -0.14 -0.52 -5.02 119.74 119.59 3hsi s LYS 296 Ca 0.00 0.93 -0.10 0.00 -1.36 0.00 0.00 55.97 55.44 3hsi s LYS 296 Cb 0.00 -2.11 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 3hsi s LYS 296 CO 0.00 -0.41 0.55 1.03 -0.76 0.00 0.00 175.35 175.76 3hsi s ARG 297 N -4.37 3.80 -0.02 1.68 1.81 0.63 -4.44 118.95 118.04 3hsi s ARG 297 Ca 0.58 0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.86 3hsi s ARG 297 Cb -0.11 -2.65 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 3hsi s ARG 297 CO 0.38 0.32 0.04 0.08 -0.68 0.00 0.00 175.30 175.43 3hsi s VAL 298 N -1.81 -0.05 -0.11 3.52 1.01 -0.79 -0.86 120.40 121.29 3hsi s VAL 298 Ca 0.47 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.68 3hsi s VAL 298 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.19 3hsi s VAL 298 CO 0.21 0.08 -0.21 -0.70 0.00 0.00 0.00 175.10 174.48 3hsi s GLU 299 N 0.98 2.84 -0.10 2.72 2.12 0.01 -0.39 118.70 126.89 3hsi s GLU 299 Ca -0.08 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.48 3hsi s GLU 299 Cb -0.12 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 32.04 3hsi s GLU 299 CO -0.03 0.07 -0.19 0.42 -0.54 0.00 0.00 175.26 174.99 3hsi s ILE 300 N 0.62 1.72 -0.19 -3.70 1.01 0.41 -1.10 121.20 119.97 3hsi s ILE 300 Ca -0.13 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3hsi s ILE 300 Cb -0.17 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3hsi s ILE 300 CO 0.03 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.65 3hsi s ILE 301 N 0.58 2.22 0.25 2.92 1.01 -0.42 -0.46 121.20 127.29 3hsi s ILE 301 Ca -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.57 3hsi s ILE 301 Cb -0.17 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hsi s ILE 301 CO 0.05 0.47 0.03 0.68 0.00 0.00 0.00 174.94 176.17 3hsi s VAL 302 N 1.29 0.90 0.33 2.92 -7.23 -0.85 -2.56 120.40 115.20 3hsi s VAL 302 Ca 0.04 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 3hsi s VAL 302 Cb -0.14 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 3hsi s VAL 302 CO -0.11 -0.21 1.06 -0.83 -0.31 0.00 0.00 175.10 174.70 3hsi s GLY 303 N -3.32 2.91 0.47 2.32 0.00 -1.22 -0.77 107.32 107.71 3hsi s GLY 303 Ca 0.32 0.77 -0.23 0.00 0.00 0.00 0.00 44.72 45.58 3hsi s GLY 303 CO 0.11 1.29 0.97 1.34 0.00 0.00 0.00 173.10 176.81 3hsi n ASP 304 N 0.62 1.04 -0.12 1.64 2.03 0.15 -4.73 116.55 117.19 3hsi n ASP 304 Ca 0.02 0.97 0.01 0.00 0.52 0.00 0.00 54.79 56.31 3hsi n ASP 304 Cb 0.47 -1.35 0.04 0.00 -0.72 0.00 0.00 41.12 39.56 3hsi n ASP 304 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3hsi n LYS 305 N -0.11 -0.04 0.20 -0.67 5.02 -1.26 0.61 118.16 121.90 3hsi n LYS 305 Ca 0.10 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 57.03 3hsi n LYS 305 Cb 0.41 -0.74 0.49 0.00 -0.02 0.00 0.00 35.03 35.17 3hsi n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hsi h VAL 306 N 0.00 0.00 -0.23 -0.18 2.07 -1.93 -2.73 116.25 113.25 3hsi h VAL 306 Ca 0.14 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hsi h VAL 306 Cb 0.22 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3hsi h VAL 306 CO -0.33 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.26 3hsi n ALA 307 N -1.95 2.49 -2.15 1.67 0.00 0.20 -4.81 120.51 115.96 3hsi n ALA 307 Ca 0.02 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 3hsi n ALA 307 Cb 0.35 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 3hsi n ALA 307 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hsi s ASN 308 N -1.47 7.24 0.00 0.00 3.84 -1.03 -0.11 114.94 123.41 3hsi s ASN 308 Ca 0.32 1.47 0.24 0.00 0.21 0.00 0.00 52.86 55.10 3hsi s ASN 308 Cb 0.18 -2.44 1.22 0.00 -0.55 0.00 0.00 41.25 39.65 3hsi s ASN 308 CO 0.26 0.20 1.79 -0.90 -2.79 0.00 0.00 177.10 175.66 3hsi n ASP 309 N 1.84 0.00 -0.11 -4.21 5.75 -1.26 -2.40 116.55 116.16 3hsi n ASP 309 Ca -0.07 -0.09 0.12 0.00 -0.01 0.00 0.00 54.79 54.74 3hsi n ASP 309 Cb 0.50 -0.27 0.26 0.00 -1.03 0.00 0.00 41.12 40.58 3hsi n ASP 309 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3hsi n PHE 310 N -1.27 0.00 -1.72 2.11 3.72 -1.26 -4.93 117.46 114.11 3hsi n PHE 310 Ca 0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 3hsi n PHE 310 Cb 0.18 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 3hsi n PHE 310 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hsi n TYR 311 N -1.14 2.66 -4.10 1.38 4.19 -1.01 -3.82 117.16 115.32 3hsi n TYR 311 Ca 0.08 0.25 -0.32 0.00 3.31 0.00 0.00 57.90 61.22 3hsi n TYR 311 Cb 0.34 -2.58 -0.16 0.00 0.49 0.00 0.00 39.34 37.43 3hsi n TYR 311 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 3hsi s ILE 312 N 0.27 1.97 0.14 2.97 1.01 -1.26 -5.03 121.20 121.27 3hsi s ILE 312 Ca 0.68 -0.91 -0.34 0.00 0.00 0.00 0.00 60.65 60.07 3hsi s ILE 312 Cb -0.54 -1.81 -0.16 0.00 0.01 0.00 0.00 42.46 39.96 3hsi s ILE 312 CO 0.45 0.50 1.18 -2.65 0.00 0.00 0.00 174.94 174.42 3hsi n PRO 313 N 4.64 1.04 0.19 2.79 -0.02 -1.26 -4.80 135.00 137.58 3hsi n PRO 313 Ca -0.20 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.79 3hsi n PRO 313 Cb 0.50 -1.89 0.66 0.00 -0.02 0.00 0.00 33.50 32.74 3hsi n PRO 313 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hsi h PRO 314 N 3.59 0.00 0.00 0.52 0.11 -1.99 -0.00 132.00 134.23 3hsi h PRO 314 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3hsi h PRO 314 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 3hsi h PRO 314 CO 0.71 0.00 -0.57 0.93 -0.21 0.00 0.00 178.00 178.87 3hsi h GLU 315 N 0.00 0.00 -7.44 1.05 3.07 -2.07 -3.46 114.58 105.74 3hsi h GLU 315 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 3hsi h GLU 315 Cb 0.16 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.16 3hsi h GLU 315 CO 0.00 0.57 0.38 -0.65 -1.40 0.00 0.00 179.01 177.91 3hsi s GLN 316 N -3.44 2.56 0.15 2.33 -0.21 -0.02 -4.99 119.66 116.03 3hsi s GLN 316 Ca -0.00 0.57 -0.31 0.00 0.02 0.00 0.00 55.36 55.64 3hsi s GLN 316 Cb 0.11 -1.98 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 3hsi s GLN 316 CO 0.74 -1.27 1.38 -1.25 -2.12 0.00 0.00 175.29 172.76 3hsi s PRO 317 N -5.25 4.33 0.11 2.91 0.04 -1.26 -4.93 135.00 130.96 3hsi s PRO 317 Ca 0.59 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 3hsi s PRO 317 Cb -0.13 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 3hsi s PRO 317 CO 0.53 -0.39 1.09 0.12 0.04 0.00 0.00 177.00 178.39 3hsi s PHE 318 N 0.76 3.59 0.00 0.56 5.36 -1.26 -5.04 117.98 121.95 3hsi s PHE 318 Ca 0.62 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 58.15 3hsi s PHE 318 Cb -0.37 -3.27 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 3hsi s PHE 318 CO 0.33 -0.61 0.00 0.36 -1.46 0.00 0.00 175.22 173.85 3hsi n LYS 319 N 3.06 0.00 0.00 10.12 2.85 -1.26 -5.07 118.16 127.86 3hsi n LYS 319 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 3hsi n LYS 319 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3hsi n LYS 319 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hsi n ALA 321 N -3.00 0.00 1.33 0.58 0.00 -1.26 -4.14 120.51 114.03 3hsi n ALA 321 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3hsi n ALA 321 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 3hsi n ALA 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsi n GLY 322 N 0.00 -0.90 0.12 0.00 0.00 -1.25 -1.69 105.19 101.48 3hsi n GLY 322 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3hsi n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsi h ALA 323 N 3.33 0.66 -0.14 4.61 0.00 -1.85 -3.40 119.26 122.47 3hsi h ALA 323 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hsi h ALA 323 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hsi h ALA 323 CO 0.00 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 179.12 3hsi h LEU 324 N 0.00 -0.22 -2.16 0.00 3.38 -1.66 -1.20 115.31 113.45 3hsi h LEU 324 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hsi h LEU 324 Cb 0.91 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3hsi h LEU 324 CO 0.00 -0.09 0.22 -0.65 0.09 0.00 0.00 178.44 178.02 3hsi h PRO 325 N -0.05 0.00 0.15 1.13 0.11 -1.79 -1.73 132.00 129.82 3hsi h PRO 325 Ca 0.08 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.89 3hsi h PRO 325 Cb 0.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.30 3hsi h PRO 325 CO -0.17 0.00 -1.28 1.88 -0.21 0.00 0.00 178.00 178.21 3hsi h TYR 326 N 0.00 0.90 -0.42 0.65 0.05 -1.56 -1.35 116.97 115.24 3hsi h TYR 326 Ca 0.11 -0.59 0.07 0.00 0.05 0.00 0.00 58.73 58.37 3hsi h TYR 326 Cb 0.55 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.17 3hsi h TYR 326 CO 0.00 1.44 0.06 1.25 -1.05 0.00 0.00 178.16 179.86 3hsi h LEU 327 N 0.21 -0.05 -0.53 3.88 5.85 -0.48 -0.82 115.31 123.37 3hsi h LEU 327 Ca -0.19 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3hsi h LEU 327 Cb 1.96 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 43.09 3hsi h LEU 327 CO 0.24 0.01 0.06 1.88 -0.34 0.00 0.00 178.44 180.29 3hsi h TYR 328 N 0.18 0.96 -0.44 1.25 0.05 -1.32 -2.11 116.97 115.54 3hsi h TYR 328 Ca 0.20 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3hsi h TYR 328 Cb 0.27 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3hsi h TYR 328 CO -0.23 0.87 0.20 1.49 -1.05 0.00 0.00 178.16 179.43 3hsi h GLU 329 N 0.78 0.65 0.00 4.88 4.81 -1.13 -1.14 114.58 123.42 3hsi h GLU 329 Ca 0.16 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3hsi h GLU 329 Cb 0.44 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3hsi h GLU 329 CO 0.01 0.57 -0.38 0.66 -0.73 0.00 0.00 179.01 179.15 3hsi h SER 330 N 0.57 0.00 -0.46 1.04 4.64 -0.97 0.28 113.55 118.66 3hsi h SER 330 Ca 0.15 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3hsi h SER 330 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3hsi h SER 330 CO -0.02 0.38 0.01 0.78 -0.87 0.00 0.00 176.83 177.11 3hsi h ASN 331 N 0.00 0.78 -0.52 4.97 2.35 -1.10 -1.59 115.58 120.48 3hsi h ASN 331 Ca -0.00 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.48 3hsi h ASN 331 Cb 0.77 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 3hsi h ASN 331 CO 0.05 0.89 0.28 0.25 -1.65 0.00 0.00 177.43 177.25 3hsi h LEU 332 N 0.65 0.42 -0.72 1.61 5.85 -0.39 -1.80 115.31 120.92 3hsi h LEU 332 Ca 0.13 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3hsi h LEU 332 Cb 0.48 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hsi h LEU 332 CO 0.02 0.29 0.45 -0.09 -0.34 0.00 0.00 178.44 178.77 3hsi h ARG 333 N 0.55 0.86 -0.93 1.25 2.43 -0.24 0.06 114.38 118.35 3hsi h ARG 333 Ca 0.22 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3hsi h ARG 333 Cb 0.10 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hsi h ARG 333 CO -0.14 0.57 0.56 -0.09 -1.51 0.00 0.00 179.97 179.36 3hsi h ARG 334 N 0.89 1.26 -0.46 0.20 2.43 -1.12 -1.25 114.38 116.33 3hsi h ARG 334 Ca 0.29 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3hsi h ARG 334 Cb 0.01 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 3hsi h ARG 334 CO -0.11 0.88 0.13 0.35 -1.51 0.00 0.00 179.97 179.71 3hsi h PHE 335 N 1.28 0.76 0.00 2.20 3.57 -0.52 -1.10 116.94 123.13 3hsi h PHE 335 Ca 0.33 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3hsi h PHE 335 Cb -0.05 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3hsi h PHE 335 CO 0.01 0.69 -0.20 0.00 -2.23 0.00 0.00 178.31 176.58 3hsi h GLU 337 N 0.00 0.18 -0.69 0.00 4.81 -1.02 -2.58 114.58 115.28 3hsi h GLU 337 Ca -0.00 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3hsi h GLU 337 Cb 0.64 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 3hsi h GLU 337 CO 0.03 1.06 0.26 -0.22 -0.73 0.00 0.00 179.01 179.40 3hsi h LYS 338 N -0.58 0.41 -0.96 1.92 3.64 -1.00 -2.45 116.57 117.55 3hsi h LYS 338 Ca -0.06 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.66 3hsi h LYS 338 Cb 1.22 -0.09 -0.30 0.00 -0.41 0.00 0.00 32.23 32.65 3hsi h LYS 338 CO 0.07 0.27 0.68 1.19 -2.27 0.00 0.00 179.45 179.40 3hsi n PHE 339 N -5.00 3.13 -0.24 1.91 3.72 -0.38 -4.69 117.46 115.90 3hsi n PHE 339 Ca 0.12 -2.78 -0.02 0.00 -0.05 0.00 0.00 57.45 54.71 3hsi n PHE 339 Cb 0.34 -1.28 0.09 0.00 -0.94 0.00 0.00 39.48 37.70 3hsi n PHE 339 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3hsi h GLU 340 N 1.87 0.74 -0.71 -1.08 4.81 -1.01 0.27 114.58 119.46 3hsi h GLU 340 Ca 0.58 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3hsi h GLU 340 Cb 1.16 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3hsi h GLU 340 CO 1.44 0.49 0.42 1.15 -0.73 0.00 0.00 179.01 181.78 3hsi h THR 341 N 0.76 1.20 -0.19 0.32 2.02 -1.86 -0.19 112.91 114.97 3hsi h THR 341 Ca 0.29 -0.45 -0.20 0.00 0.77 0.00 0.00 66.41 66.82 3hsi h THR 341 Cb 0.11 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3hsi h THR 341 CO -0.15 0.21 -0.66 1.56 0.37 0.00 0.00 175.52 176.85 3hsi h GLN 342 N 0.96 0.73 -0.27 6.66 7.50 -1.82 -0.76 115.11 128.11 3hsi h GLN 342 Ca 0.25 -0.53 0.03 0.00 0.50 0.00 0.00 58.65 58.91 3hsi h GLN 342 Cb -0.03 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.56 3hsi h GLN 342 CO -0.05 1.15 0.07 0.82 -1.50 0.00 0.00 178.83 179.32 3hsi h ILE 343 N 0.53 0.89 -0.66 2.54 1.08 -0.83 0.11 117.51 121.17 3hsi h ILE 343 Ca -0.02 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 3hsi h ILE 343 Cb 1.26 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 3hsi h ILE 343 CO 0.13 0.03 0.27 -0.33 -0.69 0.00 0.00 178.15 177.56 3hsi h GLU 344 N 0.18 0.97 -0.00 2.37 4.39 -0.81 -2.14 114.58 119.54 3hsi h GLU 344 Ca 0.12 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hsi h GLU 344 Cb 0.11 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hsi h GLU 344 CO -0.15 0.79 -0.26 -1.13 -1.16 0.00 0.00 179.01 177.11 3hsi n SER 345 N -4.31 0.45 0.00 1.42 3.41 -0.31 -4.91 113.62 109.38 3hsi n SER 345 Ca 0.06 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3hsi n SER 345 Cb 0.17 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3hsi n SER 345 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsi n GLY 346 N 1.42 0.64 0.29 5.00 0.00 -0.67 -4.91 105.19 106.96 3hsi n GLY 346 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3hsi n GLY 346 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hsi h GLN 347 N 1.69 0.91 -5.22 1.61 4.15 -1.27 -3.40 115.11 113.58 3hsi h GLN 347 Ca 0.00 -0.31 -0.64 0.00 0.77 0.00 0.00 58.65 58.46 3hsi h GLN 347 Cb 0.00 -0.07 -0.24 0.00 0.21 0.00 0.00 27.48 27.38 3hsi h GLN 347 CO 0.00 0.96 -0.69 -1.17 -1.93 0.00 0.00 178.83 176.00 3hsi s LEU 348 N -9.13 3.12 -0.18 -2.39 2.96 -0.61 -1.89 118.68 110.56 3hsi s LEU 348 Ca -0.10 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3hsi s LEU 348 Cb 0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3hsi s LEU 348 CO 0.84 0.12 -0.08 -0.69 -1.32 0.00 0.00 176.35 175.22 3hsi s VAL 349 N 0.67 3.23 -0.16 1.68 1.01 0.48 -4.12 120.40 123.19 3hsi s VAL 349 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3hsi s VAL 349 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3hsi s VAL 349 CO 0.02 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 3hsi s VAL 350 N 1.00 2.49 -0.06 2.92 1.01 -1.26 -0.44 120.40 126.05 3hsi s VAL 350 Ca -0.00 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3hsi s VAL 350 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3hsi s VAL 350 CO -0.01 0.52 -0.21 -0.13 0.00 0.00 0.00 175.10 175.27 3hsi s ARG 351 N 0.99 2.55 -0.18 2.72 0.52 0.39 -0.86 118.95 125.07 3hsi s ARG 351 Ca -0.02 -0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 3hsi s ARG 351 Cb -0.15 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 3hsi s ARG 351 CO -0.04 0.46 -0.04 -0.51 0.02 0.00 0.00 175.30 175.20 3hsi s LEU 352 N -0.34 3.09 -0.02 2.53 1.43 -0.26 -2.00 118.68 123.11 3hsi s LEU 352 Ca 0.02 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 3hsi s LEU 352 Cb -0.12 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3hsi s LEU 352 CO 0.02 0.08 0.45 0.86 0.23 0.00 0.00 176.35 177.99 3hsi s TRP 353 N 0.88 3.69 -0.28 0.29 -0.00 0.05 -1.25 118.94 122.32 3hsi s TRP 353 Ca -0.01 1.01 -0.19 0.00 -0.00 0.00 0.00 56.10 56.91 3hsi s TRP 353 Cb -0.15 -2.38 0.08 0.00 -0.00 0.00 0.00 33.47 31.02 3hsi s TRP 353 CO 0.01 0.52 0.70 0.50 -0.00 0.00 0.00 176.95 178.68 3hsi s ARG 354 N -0.66 0.76 -0.42 5.86 3.52 0.01 -0.67 118.95 127.34 3hsi s ARG 354 Ca 0.25 1.14 0.05 0.00 -0.13 0.00 0.00 55.73 57.04 3hsi s ARG 354 Cb -0.17 0.24 0.17 0.00 -1.56 0.00 0.00 34.95 33.63 3hsi s ARG 354 CO 0.13 -0.13 0.47 0.34 -0.81 0.00 0.00 175.30 175.31 3hsi s ASP 355 N 1.17 0.37 1.88 -2.12 2.15 -1.26 -4.71 116.67 114.15 3hsi s ASP 355 Ca -0.06 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 50.91 3hsi s ASP 355 Cb -0.05 0.72 0.00 0.00 -0.30 0.00 0.00 42.92 43.29 3hsi s ASP 355 CO -0.12 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 3hsi n GLY 356 N 3.51 3.34 1.32 2.66 0.00 -1.26 -1.55 105.19 113.21 3hsi n GLY 356 Ca 0.18 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3hsi n GLY 356 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hsi n ASP 357 N 5.73 3.84 -4.78 1.61 8.00 -1.26 -4.86 116.55 124.83 3hsi n ASP 357 Ca 0.00 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 3hsi n ASP 357 Cb 0.00 -0.47 0.04 0.00 -0.02 0.00 0.00 41.12 40.66 3hsi n ASP 357 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3hsi s ASN 358 N -1.02 5.32 0.33 -2.24 0.01 -0.59 -4.94 114.94 111.81 3hsi s ASN 358 Ca 0.48 1.95 0.08 0.00 -0.71 0.00 0.00 52.86 54.66 3hsi s ASN 358 Cb 0.25 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3hsi s ASN 358 CO 0.33 -1.48 0.12 0.42 -1.51 0.00 0.00 177.10 174.97 3hsi s THR 359 N -2.37 3.02 -0.17 1.60 -4.23 -0.57 -4.42 115.64 108.50 3hsi s THR 359 Ca 0.66 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3hsi s THR 359 Cb -0.19 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.70 3hsi s THR 359 CO 0.40 -0.20 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.65 3hsi s TYR 360 N -2.43 2.79 -0.26 3.99 5.04 0.84 -0.81 117.35 126.52 3hsi s TYR 360 Ca 0.37 -1.29 0.19 0.00 -2.44 0.00 0.00 57.07 53.91 3hsi s TYR 360 Cb -0.02 -1.93 0.50 0.00 0.35 0.00 0.00 41.96 40.86 3hsi s TYR 360 CO 0.22 -0.63 1.13 1.58 -1.34 0.00 0.00 175.55 176.51 3hsi n HIS 361 N 4.39 1.58 -3.15 4.97 -0.00 0.16 -4.75 115.22 118.41 3hsi n HIS 361 Ca -0.20 -2.15 -0.38 0.00 0.46 0.00 0.00 57.72 55.45 3hsi n HIS 361 Cb 0.51 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 30.07 3hsi n HIS 361 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3hsi s LEU 362 N -3.74 4.52 0.02 0.27 1.43 -1.20 -4.60 118.68 115.38 3hsi s LEU 362 Ca 0.32 1.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 3hsi s LEU 362 Cb 0.34 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3hsi s LEU 362 CO -0.02 0.21 -0.14 -0.54 0.23 0.00 0.00 176.35 176.09 3hsi s LYS 363 N -1.27 0.98 0.00 1.70 3.01 -1.26 -2.31 119.74 120.60 3hsi s LYS 363 Ca 0.34 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 3hsi s LYS 363 Cb -0.20 -0.97 0.00 0.00 -1.01 0.00 0.00 37.83 35.64 3hsi s LYS 363 CO 0.22 0.25 0.00 0.41 0.51 0.00 0.00 175.35 176.74 3hsi n GLY 364 N 2.26 1.26 2.81 -3.33 0.00 -0.72 -4.71 105.19 102.76 3hsi n GLY 364 Ca -0.16 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 3hsi n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsi s VAL 365 N -2.00 0.11 -0.08 1.61 1.01 -1.20 -0.91 120.40 118.94 3hsi s VAL 365 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3hsi s VAL 365 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3hsi s VAL 365 CO 0.00 0.12 -0.16 0.26 0.00 0.00 0.00 175.10 175.32 3hsi s TRP 366 N 0.99 1.83 -0.26 5.22 0.51 -0.13 -1.33 118.94 125.77 3hsi s TRP 366 Ca -0.09 -0.72 -0.04 0.00 -2.12 0.00 0.00 56.10 53.13 3hsi s TRP 366 Cb -0.13 -1.29 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 3hsi s TRP 366 CO -0.02 -0.33 -0.01 0.08 -0.51 0.00 0.00 176.95 176.16 3hsi s VAL 367 N 0.59 3.36 0.00 4.03 1.01 -0.13 -1.08 120.40 128.18 3hsi s VAL 367 Ca -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3hsi s VAL 367 Cb -0.16 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3hsi s VAL 367 CO 0.05 0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.82 3hsi n ASP 368 N 4.76 0.00 -0.76 3.32 8.00 0.36 -1.58 116.55 130.66 3hsi n ASP 368 Ca -0.16 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.38 3hsi n ASP 368 Cb 0.48 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.79 3hsi n ASP 368 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3hsi n ASP 369 N 1.50 2.77 -0.02 -2.24 5.68 -1.26 -4.75 116.55 118.23 3hsi n ASP 369 Ca 0.00 -3.41 -0.03 0.00 -0.50 0.00 0.00 54.79 50.85 3hsi n ASP 369 Cb 0.00 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 39.41 3hsi n ASP 369 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3hsi n ARG 370 N -1.01 0.11 -4.65 0.11 0.63 -0.61 -4.60 116.66 106.64 3hsi n ARG 370 Ca 0.24 0.03 -0.24 0.00 -0.92 0.00 0.00 57.85 56.95 3hsi n ARG 370 Cb 0.86 -1.06 -0.14 0.00 0.45 0.00 0.00 32.46 32.56 3hsi n ARG 370 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3hsi s TYR 371 N -2.09 1.64 -0.19 -0.14 2.02 -1.00 -0.77 117.35 116.82 3hsi s TYR 371 Ca -0.06 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3hsi s TYR 371 Cb 0.02 -1.00 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 3hsi s TYR 371 CO 0.10 0.05 0.07 0.42 -1.57 0.00 0.00 175.55 174.62 3hsi s ILE 372 N -0.70 0.12 -0.29 2.71 1.09 -0.68 -0.95 121.20 122.51 3hsi s ILE 372 Ca 0.06 -0.34 -0.14 0.00 -1.10 0.00 0.00 60.65 59.13 3hsi s ILE 372 Cb -0.08 -0.76 -0.03 0.00 -1.06 0.00 0.00 42.46 40.53 3hsi s ILE 372 CO 0.01 -0.29 0.32 -0.22 -0.10 0.00 0.00 174.94 174.66 3hsi s LEU 373 N 2.04 4.13 -0.24 2.97 2.96 -0.44 -0.90 118.68 129.20 3hsi s LEU 373 Ca 0.02 0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.87 3hsi s LEU 373 Cb -0.16 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3hsi s LEU 373 CO -0.10 -0.18 0.31 -0.76 -1.32 0.00 0.00 176.35 174.30 3hsi s LEU 374 N 1.97 4.09 0.01 -0.68 1.43 -0.17 -3.23 118.68 122.10 3hsi s LEU 374 Ca 0.12 0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.34 3hsi s LEU 374 Cb -0.16 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.74 3hsi s LEU 374 CO 0.11 -0.08 0.37 0.28 0.23 0.00 0.00 176.35 177.26 3hsi s THR 375 N 1.58 0.06 -2.30 5.49 -1.32 -1.26 -0.35 115.64 117.53 3hsi s THR 375 Ca 0.14 -0.46 0.23 0.00 -1.21 0.00 0.00 61.69 60.39 3hsi s THR 375 Cb -0.15 -0.79 0.50 0.00 -1.51 0.00 0.00 72.50 70.55 3hsi s THR 375 CO 0.08 -0.25 1.64 0.61 -2.21 0.00 0.00 174.62 174.49 3hsi n GLY 376 N 0.93 0.07 3.67 6.08 0.00 -1.23 -4.69 105.19 110.01 3hsi n GLY 376 Ca -0.20 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3hsi n GLY 376 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsi s ASN 377 N -1.70 6.84 0.00 1.61 3.84 -1.26 -4.89 114.94 119.38 3hsi s ASN 377 Ca 0.34 1.94 0.24 0.00 0.21 0.00 0.00 52.86 55.59 3hsi s ASN 377 Cb 0.18 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.79 3hsi s ASN 377 CO 0.28 -0.80 1.83 0.59 -2.79 0.00 0.00 177.10 176.21 3hsi n ASN 378 N 6.55 0.00 -3.70 -4.21 3.02 -1.26 -4.76 115.26 110.90 3hsi n ASN 378 Ca 0.15 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.61 3hsi n ASN 378 Cb 0.44 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.65 3hsi n ASN 378 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hsi n LEU 379 N -0.97 -3.13 -4.34 3.41 4.77 -1.26 -4.70 117.00 110.78 3hsi n LEU 379 Ca 0.18 -0.76 -0.17 0.00 -0.03 0.00 0.00 56.01 55.23 3hsi n LEU 379 Cb 0.08 -2.73 -0.10 0.00 -2.33 0.00 0.00 43.42 38.34 3hsi n LEU 379 CO 0.14 0.44 -0.32 0.54 -1.33 0.00 0.00 177.39 176.85 3hsi s ASN 380 N -4.05 1.87 0.45 -1.43 4.22 -1.26 -3.81 114.94 110.94 3hsi s ASN 380 Ca 0.20 -1.23 0.16 0.00 -2.14 0.00 0.00 52.86 49.85 3hsi s ASN 380 Cb -0.10 0.00 1.11 0.00 1.28 0.00 0.00 41.25 43.55 3hsi s ASN 380 CO 0.80 -0.52 1.98 -0.65 -2.04 0.00 0.00 177.10 176.67 3hsi h PRO 381 N 2.44 0.31 -0.25 3.55 0.11 -1.77 -2.10 132.00 134.28 3hsi h PRO 381 Ca -0.38 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.76 3hsi h PRO 381 Cb 1.22 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3hsi h PRO 381 CO 0.65 0.20 -0.11 0.00 -0.21 0.00 0.00 178.00 178.53 3hsi h ARG 382 N 0.32 -0.07 -0.40 1.05 3.08 -1.87 -1.92 114.38 114.57 3hsi h ARG 382 Ca 0.27 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.36 3hsi h ARG 382 Cb 0.64 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3hsi h ARG 382 CO -0.07 -0.05 0.27 0.00 -1.07 0.00 0.00 179.97 179.06 3hsi h ALA 383 N 1.15 1.87 0.00 0.04 0.00 -1.74 0.52 119.26 121.10 3hsi h ALA 383 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hsi h ALA 383 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hsi h ALA 383 CO -0.30 0.08 0.00 0.91 0.00 0.00 0.00 179.25 179.93 3hsi n TRP 384 N -4.48 0.00 0.00 0.00 8.01 -0.75 -4.46 117.44 115.77 3hsi n TRP 384 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 3hsi n TRP 384 Cb 0.17 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.10 3hsi n TRP 384 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 3hsi n ARG 385 N -1.37 0.00 -0.12 -0.99 0.63 -0.97 -3.88 116.66 109.95 3hsi n ARG 385 Ca 0.11 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.84 3hsi n ARG 385 Cb 0.27 -0.40 -0.10 0.00 0.45 0.00 0.00 32.46 32.67 3hsi n ARG 385 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3hsi n LEU 386 N -1.48 2.61 -4.93 6.15 4.77 0.17 -3.87 117.00 120.42 3hsi n LEU 386 Ca 0.00 0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 3hsi n LEU 386 Cb 0.00 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.27 3hsi n LEU 386 CO 0.00 0.79 0.16 -1.81 -1.33 0.00 0.00 177.39 175.20 3hsi s ASP 387 N -6.60 6.35 -0.20 -1.43 1.01 -0.59 -4.27 116.67 110.94 3hsi s ASP 387 Ca -0.33 0.52 -0.17 0.00 0.71 0.00 0.00 52.55 53.29 3hsi s ASP 387 Cb 0.10 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 3hsi s ASP 387 CO 0.51 -0.24 0.44 0.00 0.21 0.00 0.00 175.17 176.10 3hsi s ALA 388 N -2.19 3.55 0.18 5.23 0.00 -0.75 -4.27 121.76 123.51 3hsi s ALA 388 Ca 0.41 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.96 3hsi s ALA 388 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 3hsi s ALA 388 CO 0.34 -0.34 -0.14 -1.21 0.00 0.00 0.00 175.76 174.41 3hsi s GLU 389 N 1.39 1.22 0.32 0.00 0.41 0.42 -0.50 118.70 121.96 3hsi s GLU 389 Ca 0.21 -1.49 0.05 0.00 -0.41 0.00 0.00 54.97 53.33 3hsi s GLU 389 Cb -0.15 -1.02 -0.03 0.00 -1.78 0.00 0.00 34.13 31.15 3hsi s GLU 389 CO 0.09 0.17 0.29 0.54 -0.49 0.00 0.00 175.26 175.86 3hsi s ASN 390 N -3.08 1.38 -0.03 -0.19 4.22 -1.26 -1.21 114.94 114.78 3hsi s ASN 390 Ca 0.18 -1.67 -0.30 0.00 -2.14 0.00 0.00 52.86 48.93 3hsi s ASN 390 Cb -0.01 0.55 0.08 0.00 1.28 0.00 0.00 41.25 43.15 3hsi s ASN 390 CO 0.05 -1.07 0.72 -0.83 -2.04 0.00 0.00 177.10 173.94 3hsi s GLY 391 N -3.33 -0.53 -0.32 0.45 0.00 -0.24 -3.53 107.32 99.82 3hsi s GLY 391 Ca 0.39 1.29 -0.06 0.00 0.00 0.00 0.00 44.72 46.34 3hsi s GLY 391 CO 0.25 0.83 0.08 1.08 0.00 0.00 0.00 173.10 175.34 3hsi s LEU 392 N -1.46 4.08 -0.41 0.66 1.43 0.53 -0.18 118.68 123.33 3hsi s LEU 392 Ca -0.07 -0.99 -0.23 0.00 -1.03 0.00 0.00 54.13 51.81 3hsi s LEU 392 Cb -0.00 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3hsi s LEU 392 CO 0.05 -0.27 0.78 -0.22 0.23 0.00 0.00 176.35 176.91 3hsi s LEU 393 N 1.43 4.20 -0.15 1.79 2.96 -0.22 -1.00 118.68 127.69 3hsi s LEU 393 Ca -0.00 0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 3hsi s LEU 393 Cb -0.19 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 3hsi s LEU 393 CO 0.02 -0.83 0.57 -0.63 -1.32 0.00 0.00 176.35 174.16 3hsi s ILE 394 N 3.19 5.09 -0.22 6.68 1.01 -0.08 -0.05 121.20 136.82 3hsi s ILE 394 Ca 0.30 1.11 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 3hsi s ILE 394 Cb -0.13 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hsi s ILE 394 CO 0.20 0.21 0.04 -0.47 0.00 0.00 0.00 174.94 174.92 3hsi s TYR 395 N 1.31 3.08 -0.53 3.97 5.04 0.68 -1.68 117.35 129.21 3hsi s TYR 395 Ca 0.28 -0.42 0.07 0.00 -2.44 0.00 0.00 57.07 54.57 3hsi s TYR 395 Cb -0.16 -2.16 0.27 0.00 0.35 0.00 0.00 41.96 40.26 3hsi s TYR 395 CO 0.11 -0.28 0.70 -3.47 -1.34 0.00 0.00 175.55 171.28 3hsi n ASP 396 N 4.56 2.51 0.23 4.32 2.03 0.05 -0.52 116.55 129.72 3hsi n ASP 396 Ca -0.17 -3.21 0.06 0.00 0.52 0.00 0.00 54.79 52.00 3hsi n ASP 396 Cb 0.52 -0.64 0.54 0.00 -0.72 0.00 0.00 41.12 40.82 3hsi n ASP 396 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hsi h PRO 397 N 3.85 0.01 -0.43 -0.67 0.13 -1.84 -2.49 132.00 130.57 3hsi h PRO 397 Ca 0.14 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 3hsi h PRO 397 Cb 0.73 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 3hsi h PRO 397 CO 0.69 0.13 0.04 1.04 -0.23 0.00 0.00 178.00 179.67 3hsi n GLN 398 N -4.40 3.46 -3.15 0.86 6.02 -1.26 -4.95 117.38 113.97 3hsi n GLN 398 Ca -0.03 -3.00 -0.21 0.00 -0.01 0.00 0.00 57.00 53.75 3hsi n GLN 398 Cb 0.19 -2.02 0.01 0.00 1.02 0.00 0.00 30.24 29.44 3hsi n GLN 398 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hsi n GLN 399 N -0.23 -3.60 0.27 -1.09 3.00 -0.94 -4.86 117.38 109.94 3hsi n GLN 399 Ca 0.28 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.98 3hsi n GLN 399 Cb 1.07 -5.33 0.76 0.00 0.00 0.00 0.00 30.24 26.74 3hsi n GLN 399 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3hsi h GLN 400 N -0.94 0.00 -0.07 -1.09 4.20 -1.93 -2.82 115.11 112.46 3hsi h GLN 400 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3hsi h GLN 400 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3hsi h GLN 400 CO 0.52 0.06 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 3hsi n LEU 401 N -4.00 2.85 -0.36 1.46 4.77 -1.26 -4.67 117.00 115.79 3hsi n LEU 401 Ca -0.03 -0.99 0.06 0.00 -0.03 0.00 0.00 56.01 55.03 3hsi n LEU 401 Cb 0.15 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 3hsi n LEU 401 CO 0.31 0.49 1.24 0.25 -1.33 0.00 0.00 177.39 178.35 3hsi h LEU 402 N 4.37 0.94 -0.14 2.23 5.85 -1.87 0.21 115.31 126.91 3hsi h LEU 402 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hsi h LEU 402 Cb 0.93 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3hsi h LEU 402 CO 0.00 0.52 -0.07 0.00 -0.34 0.00 0.00 178.44 178.54 3hsi h ALA 403 N 1.52 0.19 -0.70 1.25 0.00 -1.83 -1.88 119.26 117.82 3hsi h ALA 403 Ca 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hsi h ALA 403 Cb 0.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hsi h ALA 403 CO -0.25 -0.00 0.35 1.96 0.00 0.00 0.00 179.25 181.31 3hsi h GLN 404 N -0.05 1.00 -0.76 0.00 4.20 -1.75 -2.05 115.11 115.70 3hsi h GLN 404 Ca 0.03 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.64 3hsi h GLN 404 Cb 0.55 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3hsi h GLN 404 CO 0.02 0.77 0.48 0.28 -0.67 0.00 0.00 178.83 179.72 3hsi h VAL 405 N 0.97 1.11 -0.21 -0.54 2.07 -0.87 -2.23 116.25 116.55 3hsi h VAL 405 Ca 0.24 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 3hsi h VAL 405 Cb 0.09 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3hsi h VAL 405 CO -0.03 0.17 -0.53 -0.08 0.02 0.00 0.00 177.57 177.12 3hsi h GLU 406 N 0.93 0.62 -0.27 1.57 4.81 -1.21 -0.09 114.58 120.94 3hsi h GLU 406 Ca 0.31 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3hsi h GLU 406 Cb 0.02 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3hsi h GLU 406 CO -0.11 0.99 0.16 -0.22 -0.73 0.00 0.00 179.01 179.10 3hsi h LYS 407 N 0.48 0.32 -0.70 1.92 3.64 -1.18 0.74 116.57 121.80 3hsi h LYS 407 Ca 0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hsi h LYS 407 Cb 1.08 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 3hsi h LYS 407 CO 0.10 0.21 0.32 1.49 -2.27 0.00 0.00 179.45 179.31 3hsi h GLU 408 N 0.33 1.02 -0.27 1.90 4.81 -1.20 -1.73 114.58 119.43 3hsi h GLU 408 Ca 0.10 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3hsi h GLU 408 Cb -0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3hsi h GLU 408 CO -0.04 0.81 -0.30 1.96 -0.73 0.00 0.00 179.01 180.71 3hsi h GLN 409 N 0.98 0.57 -0.22 1.92 4.20 -0.62 -0.88 115.11 121.05 3hsi h GLN 409 Ca 0.24 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3hsi h GLN 409 Cb 0.14 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hsi h GLN 409 CO -0.03 0.80 -0.41 -0.91 -0.67 0.00 0.00 178.83 177.61 3hsi h ASN 410 N 0.49 0.56 -0.17 1.46 2.35 -0.71 -1.34 115.58 118.22 3hsi h ASN 410 Ca 0.06 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3hsi h ASN 410 Cb 0.77 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3hsi h ASN 410 CO 0.06 0.91 0.09 -0.61 -1.65 0.00 0.00 177.43 176.23 3hsi h GLN 411 N 0.43 0.24 -0.68 0.81 5.75 -1.05 -2.98 115.11 117.64 3hsi h GLN 411 Ca 0.04 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 3hsi h GLN 411 Cb 0.91 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.34 3hsi h GLN 411 CO 0.08 0.24 0.30 0.82 -2.65 0.00 0.00 178.83 177.62 3hsi h ILE 412 N 0.18 0.81 0.00 2.39 2.04 -0.92 -2.15 117.51 119.85 3hsi h ILE 412 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3hsi h ILE 412 Cb 0.07 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3hsi h ILE 412 CO -0.01 0.09 0.00 0.54 0.00 0.00 0.00 178.15 178.77 3hsi n ARG 413 N -4.92 0.03 -0.14 2.37 1.74 -0.53 -3.98 116.66 111.23 3hsi n ARG 413 Ca 0.10 0.22 -0.04 0.00 -0.77 0.00 0.00 57.85 57.37 3hsi n ARG 413 Cb 0.28 -1.55 0.05 0.00 -1.02 0.00 0.00 32.46 30.22 3hsi n ARG 413 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hsi h GLN 414 N 0.00 0.31 -0.87 5.56 1.08 -1.24 -1.59 115.11 118.36 3hsi h GLN 414 Ca 0.00 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 56.95 3hsi h GLN 414 Cb 0.32 -0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.55 3hsi h GLN 414 CO 0.00 0.20 0.29 0.72 -0.95 0.00 0.00 178.83 179.09 3hsi n HIS 415 N -5.03 2.03 -4.20 2.96 8.25 -1.26 -4.94 115.22 113.03 3hsi n HIS 415 Ca 0.04 -1.12 -0.24 0.00 -0.26 0.00 0.00 57.72 56.15 3hsi n HIS 415 Cb 0.19 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 30.60 3hsi n HIS 415 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hsi s THR 416 N -2.44 3.90 0.04 1.59 -4.23 -0.60 -0.81 115.64 113.09 3hsi s THR 416 Ca 0.43 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 3hsi s THR 416 Cb 0.34 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3hsi s THR 416 CO 0.10 -0.29 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.19 3hsi s LYS 417 N -3.51 1.07 -0.15 3.99 1.02 -0.38 -4.92 119.74 116.86 3hsi s LYS 417 Ca 0.31 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 3hsi s LYS 417 Cb -0.08 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.12 3hsi s LYS 417 CO 0.21 0.28 1.01 0.08 -0.92 0.00 0.00 175.35 176.02 3hsi s VAL 418 N -0.81 4.75 -0.04 3.17 1.01 -1.26 -1.10 120.40 126.13 3hsi s VAL 418 Ca 0.03 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 3hsi s VAL 418 Cb -0.08 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3hsi s VAL 418 CO 0.01 -0.05 1.40 -0.22 0.00 0.00 0.00 175.10 176.24 3hsi s LEU 419 N 2.38 4.29 0.20 3.92 2.96 -0.04 -4.91 118.68 127.48 3hsi s LEU 419 Ca 0.47 2.03 0.19 0.00 -0.22 0.00 0.00 54.13 56.60 3hsi s LEU 419 Cb -0.17 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hsi s LEU 419 CO 0.14 -0.75 1.12 0.07 -1.32 0.00 0.00 176.35 175.61 3hsi h LYS 420 N 8.12 0.00 -1.88 1.98 2.10 -1.94 -3.43 116.57 121.53 3hsi h LYS 420 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 3hsi h LYS 420 Cb 1.16 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.28 3hsi h LYS 420 CO 0.92 0.21 0.26 -1.58 -2.00 0.00 0.00 179.45 177.26 3hsi s HIS 421 N -3.10 -0.64 0.61 0.07 5.65 -1.26 -4.74 115.29 111.89 3hsi s HIS 421 Ca 0.00 1.35 0.31 0.00 0.25 0.00 0.00 55.06 56.97 3hsi s HIS 421 Cb 0.08 0.36 1.77 0.00 -1.18 0.00 0.00 32.58 33.61 3hsi s HIS 421 CO 0.77 -0.43 2.12 0.10 -0.65 0.00 0.00 174.74 176.65 3hsi h TYR 422 N 3.83 0.00 0.00 3.88 -0.00 -1.91 0.26 116.97 123.03 3hsi h TYR 422 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.46 3hsi h TYR 422 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 3hsi h TYR 422 CO 0.36 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.77 3hsi n THR 423 N -3.57 0.74 0.28 -0.90 -2.24 -1.26 -1.82 114.28 105.51 3hsi n THR 423 Ca 0.00 0.15 0.17 0.00 -2.27 0.00 0.00 64.05 62.11 3hsi n THR 423 Cb 0.29 -0.92 0.67 0.00 -2.10 0.00 0.00 70.33 68.28 3hsi n THR 423 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hsi h GLU 424 N 0.00 0.00 -6.34 -0.78 5.08 -0.87 -3.43 114.58 108.24 3hsi h GLU 424 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3hsi h GLU 424 Cb 0.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3hsi h GLU 424 CO 0.00 0.00 0.05 -0.51 -1.00 0.00 0.00 179.01 177.55 3hsi s LEU 425 N -6.14 4.55 0.28 1.33 1.43 -0.75 -5.03 118.68 114.34 3hsi s LEU 425 Ca 0.01 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 3hsi s LEU 425 Cb 0.09 -3.05 -0.12 0.00 0.03 0.00 0.00 46.19 43.14 3hsi s LEU 425 CO 0.54 0.24 1.49 -0.62 0.23 0.00 0.00 176.35 178.24 3hsi n GLU 426 N 1.71 2.37 -2.54 1.70 1.02 -1.26 -5.02 120.64 118.63 3hsi n GLU 426 Ca -0.08 0.84 -0.28 0.00 -0.02 0.00 0.00 57.16 57.62 3hsi n GLU 426 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 3hsi n GLU 426 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3hsi s GLU 427 N -0.61 3.52 0.35 3.49 4.04 -1.26 -4.89 118.70 123.34 3hsi s GLU 427 Ca 0.65 0.25 0.11 0.00 0.04 0.00 0.00 54.97 56.02 3hsi s GLU 427 Cb -0.57 -2.34 0.87 0.00 0.02 0.00 0.00 34.13 32.12 3hsi s GLU 427 CO 0.50 -0.27 1.82 1.25 -1.84 0.00 0.00 175.26 176.72 3hsi h LEU 428 N 0.14 0.63 -2.18 1.83 5.85 -1.98 -0.15 115.31 119.46 3hsi h LEU 428 Ca -0.47 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3hsi h LEU 428 Cb 1.21 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3hsi h LEU 428 CO 0.62 0.25 -0.06 0.78 -0.34 0.00 0.00 178.44 179.69 3hsi h ASN 429 N 0.63 0.00 0.20 1.25 2.35 -2.00 -0.07 115.58 117.94 3hsi h ASN 429 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3hsi h ASN 429 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3hsi h ASN 429 CO -0.27 0.06 -0.08 0.00 -1.65 0.00 0.00 177.43 175.49 3hsi n GLN 430 N -3.53 0.99 -2.63 0.81 -0.00 -0.07 -4.91 117.38 108.04 3hsi n GLN 430 Ca -0.02 -0.39 -0.32 0.00 -0.00 0.00 0.00 57.00 56.26 3hsi n GLN 430 Cb 0.18 -1.49 -0.05 0.00 -0.00 0.00 0.00 30.24 28.88 3hsi n GLN 430 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3hsi s TYR 431 N -2.28 3.39 0.39 2.61 2.02 -0.04 -5.01 117.35 118.43 3hsi s TYR 431 Ca 0.34 1.49 -0.25 0.00 -0.37 0.00 0.00 57.07 58.28 3hsi s TYR 431 Cb 0.20 -2.78 -0.11 0.00 -0.40 0.00 0.00 41.96 38.87 3hsi s TYR 431 CO 0.43 -0.23 1.00 -2.30 -1.57 0.00 0.00 175.55 172.88 3hsi n PRO 432 N -1.13 1.35 -0.33 -1.71 -0.02 -1.26 -4.71 135.00 127.19 3hsi n PRO 432 Ca 0.06 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3hsi n PRO 432 Cb 0.54 -1.99 0.28 0.00 -0.02 0.00 0.00 33.50 32.30 3hsi n PRO 432 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hsi h GLU 433 N 1.62 0.89 0.00 -0.52 9.09 -1.95 -1.30 114.58 122.41 3hsi h GLU 433 Ca -0.43 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 58.80 3hsi h GLU 433 Cb 1.34 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 28.22 3hsi h GLU 433 CO 0.57 0.59 -0.57 -1.00 0.05 0.00 0.00 179.01 178.66 3hsi h PRO 434 N 0.92 0.00 -0.09 1.06 0.13 -2.00 -2.32 132.00 129.71 3hsi h PRO 434 Ca 0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.59 3hsi h PRO 434 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3hsi h PRO 434 CO -0.24 0.57 -0.01 0.28 -0.23 0.00 0.00 178.00 178.37 3hsi h VAL 435 N 0.00 1.28 -0.57 1.56 2.07 -1.64 -2.20 116.25 116.76 3hsi h VAL 435 Ca -0.01 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.74 3hsi h VAL 435 Cb 1.02 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.39 3hsi h VAL 435 CO 0.07 0.25 -0.06 1.56 0.02 0.00 0.00 177.57 179.41 3hsi h GLN 436 N -0.16 0.06 -0.08 1.57 4.20 -1.22 0.75 115.11 120.24 3hsi h GLN 436 Ca 0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hsi h GLN 436 Cb 0.40 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3hsi h GLN 436 CO 0.01 0.04 0.04 0.87 -0.67 0.00 0.00 178.83 179.11 3hsi h LYS 437 N 0.06 0.08 0.03 1.46 1.57 -1.36 -1.81 116.57 116.60 3hsi h LYS 437 Ca 0.29 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3hsi h LYS 437 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hsi h LYS 437 CO -0.53 0.05 -0.01 1.25 -0.57 0.00 0.00 179.45 179.64 3hsi h LEU 438 N 0.09 -0.03 -0.86 2.94 5.85 -0.77 -0.67 115.31 121.86 3hsi h LEU 438 Ca 0.03 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hsi h LEU 438 Cb 0.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3hsi h LEU 438 CO -0.02 0.08 0.34 -0.07 -0.34 0.00 0.00 178.44 178.43 3hsi h LEU 439 N -0.14 1.08 -0.35 2.25 3.38 -0.76 -0.54 115.31 120.23 3hsi h LEU 439 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hsi h LEU 439 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hsi h LEU 439 CO 0.01 0.94 0.19 0.11 0.09 0.00 0.00 178.44 179.78 3hsi h LYS 440 N 1.15 0.49 -0.12 1.13 1.57 -1.17 0.03 116.57 119.65 3hsi h LYS 440 Ca 0.27 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3hsi h LYS 440 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3hsi h LYS 440 CO -0.03 0.40 0.05 0.87 -0.57 0.00 0.00 179.45 180.17 3hsi h LYS 441 N 0.44 0.10 0.05 3.15 1.57 -0.46 -2.39 116.57 119.04 3hsi h LYS 441 Ca 0.12 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hsi h LYS 441 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hsi h LYS 441 CO -0.02 0.07 -0.02 0.74 -0.57 0.00 0.00 179.45 179.64 3hsi h PHE 442 N 0.11 -0.06 -0.91 -1.35 0.05 -1.03 -3.16 116.94 110.59 3hsi h PHE 442 Ca 0.05 -0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.96 3hsi h PHE 442 Cb 0.02 0.02 -0.07 0.00 2.00 0.00 0.00 35.95 37.92 3hsi h PHE 442 CO -0.10 0.14 0.59 0.00 -0.18 0.00 0.00 178.31 178.76 3hsi h ALA 443 N 0.68 1.71 -0.76 2.45 0.00 -0.95 -0.94 119.26 121.44 3hsi h ALA 443 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hsi h ALA 443 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hsi h ALA 443 CO 0.01 0.06 0.50 -0.09 0.00 0.00 0.00 179.25 179.73 3hsi h ARG 444 N 0.81 1.00 -0.16 0.00 2.43 -1.39 -2.68 114.38 114.40 3hsi h ARG 444 Ca 0.45 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3hsi h ARG 444 Cb 0.58 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hsi h ARG 444 CO -0.21 0.67 -0.01 0.44 -1.51 0.00 0.00 179.97 179.35 3hsi n ILE 445 N -4.42 2.14 -1.77 1.20 -5.35 -1.00 -4.96 119.36 105.21 3hsi n ILE 445 Ca 0.08 -2.07 -0.16 0.00 -0.27 0.00 0.00 62.75 60.34 3hsi n ILE 445 Cb 0.03 -0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 37.63 3hsi n ILE 445 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hsi n LYS 446 N -0.89 -1.55 0.21 6.28 4.76 -0.51 -4.80 118.16 121.65 3hsi n LYS 446 Ca 0.20 0.88 0.15 0.00 -2.87 0.00 0.00 58.31 56.67 3hsi n LYS 446 Cb 0.80 -5.28 0.66 0.00 -1.84 0.00 0.00 35.03 29.37 3hsi n LYS 446 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hsi h ALA 447 N 0.65 1.00 -0.20 7.82 0.00 -1.51 -2.39 119.26 124.63 3hsi h ALA 447 Ca -0.34 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3hsi h ALA 447 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hsi h ALA 447 CO 0.47 0.00 -0.38 0.38 0.00 0.00 0.00 179.25 179.71 3hsi h ASP 448 N 0.00 0.48 -0.86 0.00 2.03 -1.87 -1.81 116.42 114.39 3hsi h ASP 448 Ca 0.00 -0.20 0.03 0.00 -0.73 0.00 0.00 57.03 56.13 3hsi h ASP 448 Cb 0.29 -0.13 -0.05 0.00 -0.83 0.00 0.00 39.33 38.60 3hsi h ASP 448 CO 0.00 0.82 0.56 0.11 -1.03 0.00 0.00 179.24 179.69 3hsi h LYS 449 N 0.38 1.05 -0.45 4.15 1.57 -1.77 -1.60 116.57 119.91 3hsi h LYS 449 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3hsi h LYS 449 Cb 0.84 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3hsi h LYS 449 CO 0.07 0.70 0.26 1.25 -0.57 0.00 0.00 179.45 181.15 3hsi h LEU 450 N 1.08 0.55 -0.38 2.94 5.85 -1.50 -2.94 115.31 120.92 3hsi h LEU 450 Ca 0.34 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.04 3hsi h LEU 450 Cb -0.00 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3hsi h LEU 450 CO -0.11 0.47 0.09 0.58 -0.34 0.00 0.00 178.44 179.12 3hsi h VAL 451 N 0.59 0.83 0.00 1.05 2.07 -1.02 -1.68 116.25 118.09 3hsi h VAL 451 Ca 0.16 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3hsi h VAL 451 Cb 0.03 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3hsi h VAL 451 CO -0.03 0.04 0.00 0.29 0.02 0.00 0.00 177.57 177.89 3hsi n LYS 452 N -5.07 0.00 0.00 1.57 5.02 -0.63 -0.15 118.16 118.90 3hsi n LYS 452 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3hsi n LYS 452 Cb 0.16 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3hsi n LYS 452 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hsi n ILE 454 N 0.63 0.00 0.26 -0.18 5.41 -0.63 -4.43 119.36 120.42 3hsi n ILE 454 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 3hsi n ILE 454 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 3hsi n ILE 454 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73