#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1x h ALA 3 N 0.00 0.90 -2.93 0.00 0.00 -2.03 -3.42 119.26 111.78 1i1x h ALA 3 Ca 0.00 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 54.05 1i1x h ALA 3 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.44 1i1x h ALA 3 CO 0.00 0.61 -0.39 -0.65 0.00 0.00 0.00 179.25 178.82 1i1x s GLN 4 N -5.34 3.94 -0.30 0.00 -1.52 -1.26 -5.08 119.66 110.10 1i1x s GLN 4 Ca -0.12 0.01 -0.18 0.00 -1.95 0.00 0.00 55.36 53.12 1i1x s GLN 4 Cb 0.14 -3.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 1i1x s GLN 4 CO 0.84 0.49 0.49 0.45 -0.25 0.00 0.00 175.29 177.31 1i1x s SER 5 N -0.26 6.35 0.43 5.90 0.15 -1.26 -4.91 113.70 120.10 1i1x s SER 5 Ca 0.15 0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.20 1i1x s SER 5 Cb -0.13 -2.27 0.95 0.00 -1.71 0.00 0.00 66.02 62.86 1i1x s SER 5 CO 0.04 -0.36 1.94 -0.37 1.20 0.00 0.00 173.24 175.69 1i1x h VAL 6 N 5.50 1.11 -0.15 4.45 -1.51 -1.88 -1.75 116.25 122.02 1i1x h VAL 6 Ca -0.29 -0.86 -0.03 0.00 -1.23 0.00 0.00 66.70 64.29 1i1x h VAL 6 Cb 1.14 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1i1x h VAL 6 CO 0.73 0.24 -0.02 -0.78 -1.23 0.00 0.00 177.57 176.52 1i1x h ASP 7 N 0.00 0.27 -0.94 4.19 3.58 -1.71 -1.12 116.42 120.69 1i1x h ASP 7 Ca -0.00 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1i1x h ASP 7 Cb 0.45 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 1i1x h ASP 7 CO 0.03 0.54 0.58 1.56 -2.88 0.00 0.00 179.24 179.08 1i1x h GLN 8 N -0.01 1.27 -0.40 0.28 4.20 -1.75 -1.28 115.11 117.42 1i1x h GLN 8 Ca 0.04 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1i1x h GLN 8 Cb 0.41 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1i1x h GLN 8 CO 0.01 0.88 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.81 1i1x h LEU 9 N 1.29 0.75 -0.54 1.46 3.38 -1.22 -2.19 115.31 118.24 1i1x h LEU 9 Ca 0.34 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1i1x h LEU 9 Cb -0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1i1x h LEU 9 CO -0.07 0.92 -0.72 -0.29 0.09 0.00 0.00 178.44 178.38 1i1x h ILE 10 N 0.66 1.47 -0.35 1.22 2.10 -0.93 -2.86 117.51 118.82 1i1x h ILE 10 Ca 0.10 -2.34 -0.06 0.00 1.08 0.00 0.00 64.86 63.65 1i1x h ILE 10 Cb 0.66 2.25 -0.02 0.00 -1.09 0.00 0.00 36.82 38.62 1i1x h ILE 10 CO 0.05 0.68 -0.05 0.11 -1.08 0.00 0.00 178.15 177.86 1i1x h LYS 11 N 0.07 0.56 0.00 2.19 1.57 -1.08 -1.76 116.57 118.12 1i1x h LYS 11 Ca -0.02 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1i1x h LYS 11 Cb 1.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1i1x h LYS 11 CO 0.10 0.62 -0.09 0.00 -0.57 0.00 0.00 179.45 179.51 1i1x h ALA 12 N 1.43 1.10 -0.20 3.86 0.00 -1.18 -1.34 119.26 122.92 1i1x h ALA 12 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i1x h ALA 12 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1i1x h ALA 12 CO 0.02 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.92 1i1x n ARG 13 N -3.33 1.82 -0.00 0.00 5.12 -0.72 -4.93 116.66 114.62 1i1x n ARG 13 Ca -0.01 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 1i1x n ARG 13 Cb 0.27 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1i1x n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i1x n GLY 14 N 1.17 0.77 4.00 -0.13 0.00 -0.50 -5.08 105.19 105.40 1i1x n GLY 14 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1i1x n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1x s LYS 15 N -1.00 2.53 -0.11 1.61 -0.14 -0.85 -5.00 119.74 116.79 1i1x s LYS 15 Ca 0.00 -1.09 -0.10 0.00 -1.36 0.00 0.00 55.97 53.42 1i1x s LYS 15 Cb 0.00 -2.59 -0.27 0.00 -1.68 0.00 0.00 37.83 33.29 1i1x s LYS 15 CO 0.00 -0.64 0.45 0.28 -0.76 0.00 0.00 175.35 174.68 1i1x h VAL 16 N 0.23 0.77 -2.66 3.17 2.07 -1.22 -3.36 116.25 115.26 1i1x h VAL 16 Ca -0.39 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 64.80 1i1x h VAL 16 Cb 1.29 2.57 -0.13 0.00 -1.52 0.00 0.00 31.29 33.49 1i1x h VAL 16 CO 0.47 0.81 0.35 -0.72 0.02 0.00 0.00 177.57 178.50 1i1x s TYR 17 N -2.53 -0.43 -0.14 1.57 -0.85 -1.19 -4.86 117.35 108.92 1i1x s TYR 17 Ca -0.21 0.25 -0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1i1x s TYR 17 Cb 0.06 0.56 0.03 0.00 0.38 0.00 0.00 41.96 42.98 1i1x s TYR 17 CO 0.77 -0.72 -0.10 0.12 -1.52 0.00 0.00 175.55 174.10 1i1x s PHE 18 N -3.46 1.80 0.08 -3.49 5.99 -1.26 -2.64 117.98 115.00 1i1x s PHE 18 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 56.93 55.99 1i1x s PHE 18 Cb -0.01 -1.39 -0.00 0.00 0.00 0.00 0.00 43.02 41.61 1i1x s PHE 18 CO -0.10 -0.59 0.04 0.41 -0.00 0.00 0.00 175.22 174.97 1i1x n GLY 19 N 4.86 3.89 3.23 13.12 0.00 0.50 -0.72 105.19 130.07 1i1x n GLY 19 Ca -0.14 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1i1x n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1x s VAL 20 N -1.98 0.08 0.28 1.61 0.11 -0.68 -1.07 120.40 118.75 1i1x s VAL 20 Ca 0.05 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1i1x s VAL 20 Cb 0.00 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 1i1x s VAL 20 CO 0.04 -0.37 0.99 0.00 -3.33 0.00 0.00 175.10 172.43 1i1x s ALA 21 N -2.24 3.31 0.20 1.54 0.00 -0.58 -1.78 121.76 122.21 1i1x s ALA 21 Ca -0.07 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 1i1x s ALA 21 Cb -0.02 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1i1x s ALA 21 CO -0.02 0.07 0.46 -2.37 0.00 0.00 0.00 175.76 173.90 1i1x n THR 22 N 1.10 0.00 -3.82 0.00 5.66 -0.35 -4.01 114.28 112.85 1i1x n THR 22 Ca -0.00 -0.51 -0.01 0.00 -3.05 0.00 0.00 64.05 60.48 1i1x n THR 22 Cb 0.47 0.53 0.01 0.00 -1.55 0.00 0.00 70.33 69.78 1i1x n THR 22 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1i1x s ASP 23 N -2.17 -0.04 0.28 1.09 1.01 -1.26 -0.84 116.67 114.74 1i1x s ASP 23 Ca 0.09 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1i1x s ASP 23 Cb -0.03 0.33 0.63 0.00 1.01 0.00 0.00 42.92 44.87 1i1x s ASP 23 CO 0.06 -0.64 1.76 -0.61 0.21 0.00 0.00 175.17 175.95 1i1x h GLN 24 N 2.00 0.64 -0.04 8.23 4.15 -1.96 -0.83 115.11 127.30 1i1x h GLN 24 Ca -0.26 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.09 1i1x h GLN 24 Cb 1.21 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1i1x h GLN 24 CO 0.31 0.42 -0.13 -2.95 -1.93 0.00 0.00 178.83 174.55 1i1x h ASN 25 N 0.66 0.05 0.12 -0.69 -1.07 -1.98 -2.01 115.58 110.66 1i1x h ASN 25 Ca 0.52 -0.01 -0.16 0.00 0.07 0.00 0.00 56.30 56.72 1i1x h ASN 25 Cb 0.79 -0.01 0.02 0.00 -2.07 0.00 0.00 38.32 37.04 1i1x h ASN 25 CO -0.39 0.19 -0.72 0.03 0.07 0.00 0.00 177.43 176.62 1i1x h ARG 26 N 0.05 0.26 0.00 4.14 2.47 -1.61 -3.36 114.38 116.34 1i1x h ARG 26 Ca 0.01 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1i1x h ARG 26 Cb 0.27 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1i1x h ARG 26 CO 0.02 1.21 -0.05 -0.07 0.56 0.00 0.00 179.97 181.64 1i1x h LEU 27 N -0.45 0.00 -2.74 3.04 3.38 -0.84 -2.46 115.31 115.24 1i1x h LEU 27 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1i1x h LEU 27 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1i1x h LEU 27 CO 0.13 0.05 0.00 0.35 0.09 0.00 0.00 178.44 179.06 1i1x n THR 28 N -3.29 0.98 -4.04 0.22 -2.24 -0.79 -4.32 114.28 100.80 1i1x n THR 28 Ca -0.01 -0.99 -0.08 0.00 -2.27 0.00 0.00 64.05 60.70 1i1x n THR 28 Cb 0.21 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 1i1x n THR 28 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1i1x s THR 29 N -1.02 0.18 0.00 4.28 -1.32 -0.92 -5.08 115.64 111.76 1i1x s THR 29 Ca 0.47 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1i1x s THR 29 Cb 0.25 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1i1x s THR 29 CO 0.32 -0.84 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 1i1x n GLY 30 N 0.49 1.58 1.02 6.08 0.00 -1.26 -3.38 105.19 109.71 1i1x n GLY 30 Ca -0.17 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1i1x n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i1x n LYS 31 N 4.47 3.01 -0.07 1.61 5.02 -1.26 -4.70 118.16 126.24 1i1x n LYS 31 Ca 0.00 -2.45 -0.07 0.00 -2.02 0.00 0.00 58.31 53.77 1i1x n LYS 31 Cb 0.00 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.48 1i1x n LYS 31 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1i1x h ASN 32 N 2.96 -0.12 -0.37 4.39 2.35 -1.78 -1.85 115.58 121.16 1i1x h ASN 32 Ca 0.00 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1i1x h ASN 32 Cb 1.01 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1i1x h ASN 32 CO 0.07 -0.03 0.23 0.00 -1.65 0.00 0.00 177.43 176.05 1i1x h ALA 33 N 1.23 0.47 -0.73 -0.83 0.00 -1.79 -1.04 119.26 116.58 1i1x h ALA 33 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1i1x h ALA 33 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i1x h ALA 33 CO -0.22 -0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.21 1i1x h ALA 34 N 1.15 1.12 -0.31 0.00 0.00 -1.85 0.45 119.26 119.82 1i1x h ALA 34 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1i1x h ALA 34 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1i1x h ALA 34 CO -0.05 0.63 0.14 0.82 0.00 0.00 0.00 179.25 180.79 1i1x h ILE 35 N 1.06 1.17 -0.40 0.00 2.04 -1.05 -1.35 117.51 118.99 1i1x h ILE 35 Ca 0.24 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1i1x h ILE 35 Cb 0.22 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1i1x h ILE 35 CO -0.02 0.17 0.09 0.40 0.00 0.00 0.00 178.15 178.80 1i1x h ILE 36 N 0.36 1.23 -0.17 -0.67 2.04 -0.90 -0.16 117.51 119.25 1i1x h ILE 36 Ca 0.11 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1i1x h ILE 36 Cb 0.15 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1i1x h ILE 36 CO -0.01 0.28 -0.30 1.56 0.00 0.00 0.00 178.15 179.67 1i1x h GLN 37 N 0.50 -0.34 -0.01 2.37 4.20 -0.84 -2.75 115.11 118.23 1i1x h GLN 37 Ca 0.12 0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.62 1i1x h GLN 37 Cb 0.32 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1i1x h GLN 37 CO 0.00 -0.23 -0.96 0.00 -0.67 0.00 0.00 178.83 176.98 1i1x h ALA 38 N 0.52 0.30 0.00 3.87 0.00 -1.04 -3.41 119.26 119.51 1i1x h ALA 38 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1i1x h ALA 38 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i1x h ALA 38 CO -0.37 0.77 -1.09 0.09 0.00 0.00 0.00 179.25 178.65 1i1x n ASN 39 N -3.79 2.45 -4.39 0.00 5.03 -0.09 -4.58 115.26 109.89 1i1x n ASN 39 Ca -0.08 -0.18 -0.21 0.00 0.87 0.00 0.00 54.58 54.98 1i1x n ASN 39 Cb 0.84 1.26 -0.10 0.00 -1.02 0.00 0.00 39.78 40.76 1i1x n ASN 39 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1i1x s PHE 40 N -2.32 1.92 0.00 3.10 0.08 -1.04 -2.39 117.98 117.34 1i1x s PHE 40 Ca -0.01 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1i1x s PHE 40 Cb 0.05 -0.88 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1i1x s PHE 40 CO 0.32 0.48 0.59 0.41 -0.10 0.00 0.00 175.22 176.92 1i1x n GLY 41 N -0.39 -0.36 3.46 4.36 0.00 0.10 -4.72 105.19 107.64 1i1x n GLY 41 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1i1x n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i1x s GLN 42 N -0.23 0.92 0.03 1.61 -0.44 -1.25 -1.62 119.66 118.67 1i1x s GLN 42 Ca 0.00 0.28 0.04 0.00 -2.50 0.00 0.00 55.36 53.17 1i1x s GLN 42 Cb 0.00 0.43 -0.02 0.00 -1.64 0.00 0.00 33.01 31.78 1i1x s GLN 42 CO 0.00 -0.26 -0.11 0.14 0.50 0.00 0.00 175.29 175.56 1i1x s VAL 43 N -0.95 0.86 -0.10 1.34 -7.23 0.19 -1.68 120.40 112.83 1i1x s VAL 43 Ca -0.10 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 1i1x s VAL 43 Cb -0.02 -0.80 -0.00 0.00 0.56 0.00 0.00 36.38 36.12 1i1x s VAL 43 CO 0.07 -0.05 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.70 1i1x s THR 44 N -0.82 2.16 0.07 5.32 2.01 -0.73 -1.73 115.64 121.93 1i1x s THR 44 Ca -0.01 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 1i1x s THR 44 Cb -0.07 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 1i1x s THR 44 CO 0.01 0.56 1.53 -2.16 -0.69 0.00 0.00 174.62 173.86 1i1x s PRO 45 N 0.35 4.24 0.26 4.92 0.04 -1.26 -1.21 135.00 142.35 1i1x s PRO 45 Ca -0.18 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1i1x s PRO 45 Cb -0.18 -3.47 0.33 0.00 0.04 0.00 0.00 34.50 31.23 1i1x s PRO 45 CO 0.08 -0.62 1.75 1.49 0.04 0.00 0.00 177.00 179.74 1i1x h GLU 46 N 7.71 0.77 0.00 4.56 4.81 -1.34 -3.42 114.58 127.68 1i1x h GLU 46 Ca -0.41 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1i1x h GLU 46 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1i1x h GLU 46 CO 0.91 0.80 0.00 0.09 -0.73 0.00 0.00 179.01 180.08 1i1x n ASN 47 N -4.20 0.00 0.05 1.04 3.02 -1.26 -4.96 115.26 108.95 1i1x n ASN 47 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.66 1i1x n ASN 47 Cb 0.32 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.89 1i1x n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i1x n SER 48 N -0.18 0.26 -0.76 6.41 3.41 -1.26 -2.17 113.62 119.33 1i1x n SER 48 Ca 0.00 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1i1x n SER 48 Cb 0.00 -0.62 0.14 0.00 -0.26 0.00 0.00 64.21 63.47 1i1x n SER 48 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i1x n MET 49 N -1.78 1.95 -1.56 4.33 2.81 -1.26 -4.19 117.12 117.43 1i1x n MET 49 Ca 0.03 -1.83 -0.30 0.00 -1.81 0.00 0.00 57.70 53.79 1i1x n MET 49 Cb 0.21 -1.34 0.09 0.00 -0.71 0.00 0.00 33.22 31.48 1i1x n MET 49 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i1x s LYS 50 N -1.16 2.09 0.18 0.03 1.02 -0.92 -3.84 119.74 117.13 1i1x s LYS 50 Ca 0.25 0.63 -0.11 0.00 0.02 0.00 0.00 55.97 56.76 1i1x s LYS 50 Cb 0.15 -1.92 0.09 0.00 -0.52 0.00 0.00 37.83 35.63 1i1x s LYS 50 CO 0.21 -1.62 1.75 2.35 -0.92 0.00 0.00 175.35 177.12 1i1x h TRP 51 N -1.09 0.94 -0.35 3.18 2.91 -1.77 -1.61 115.95 118.16 1i1x h TRP 51 Ca -0.47 -0.06 -0.02 0.00 1.13 0.00 0.00 58.89 59.47 1i1x h TRP 51 Cb 1.27 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 1i1x h TRP 51 CO 0.46 0.73 0.13 0.38 -1.03 0.00 0.00 178.44 179.11 1i1x h ASP 52 N 0.87 0.44 0.18 2.65 2.03 -1.66 -0.25 116.42 120.69 1i1x h ASP 52 Ca 0.21 -0.04 -0.30 0.00 -0.73 0.00 0.00 57.03 56.16 1i1x h ASP 52 Cb 0.18 -0.11 0.03 0.00 -0.83 0.00 0.00 39.33 38.59 1i1x h ASP 52 CO -0.02 0.41 -1.29 0.00 -1.03 0.00 0.00 179.24 177.32 1i1x h ALA 53 N 1.66 -0.02 0.00 4.15 0.00 -1.72 -3.33 119.26 119.99 1i1x h ALA 53 Ca 0.12 -0.79 -0.25 0.00 0.00 0.00 0.00 54.91 53.99 1i1x h ALA 53 Cb 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1i1x h ALA 53 CO -0.01 0.71 -1.86 0.25 0.00 0.00 0.00 179.25 178.33 1i1x n THR 54 N -3.76 1.25 -3.18 0.00 -2.24 -0.65 -4.46 114.28 101.23 1i1x n THR 54 Ca -0.14 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 60.67 1i1x n THR 54 Cb 1.01 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1i1x n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1i1x n GLU 55 N -2.82 0.79 0.24 -0.78 2.13 -0.13 -0.66 120.64 119.41 1i1x n GLU 55 Ca -0.18 -3.25 0.11 0.00 0.66 0.00 0.00 57.16 54.49 1i1x n GLU 55 Cb 0.97 -1.37 0.57 0.00 0.27 0.00 0.00 31.44 31.88 1i1x n GLU 55 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1i1x h PRO 56 N 3.68 0.00 -4.91 5.31 0.13 -1.70 -3.41 132.00 131.10 1i1x h PRO 56 Ca 0.08 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.79 1i1x h PRO 56 Cb 0.91 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.76 1i1x h PRO 56 CO 0.47 0.19 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.52 1i1x s SER 57 N -6.17 1.25 0.12 1.44 0.01 -1.26 -4.93 113.70 104.16 1i1x s SER 57 Ca -0.01 -0.23 -0.35 0.00 1.31 0.00 0.00 55.95 56.68 1i1x s SER 57 Cb 0.11 -0.13 -0.15 0.00 0.21 0.00 0.00 66.02 66.07 1i1x s SER 57 CO 0.61 0.11 1.52 1.67 0.41 0.00 0.00 173.24 177.57 1i1x n GLN 58 N 2.69 1.83 -0.84 12.44 7.27 -1.26 -1.48 117.38 138.03 1i1x n GLN 58 Ca -0.14 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1i1x n GLN 58 Cb 0.56 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.82 1i1x n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i1x n GLY 59 N 3.20 0.48 3.01 1.69 0.00 -1.26 -4.93 105.19 107.39 1i1x n GLY 59 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1i1x n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i1x s ASN 60 N -2.40 5.27 0.38 1.61 0.01 -0.55 -5.08 114.94 114.18 1i1x s ASN 60 Ca 0.00 -3.56 -0.22 0.00 -0.71 0.00 0.00 52.86 48.38 1i1x s ASN 60 Cb 0.00 -1.77 -0.10 0.00 0.41 0.00 0.00 41.25 39.78 1i1x s ASN 60 CO 0.00 -0.18 0.91 -0.36 -1.51 0.00 0.00 177.10 175.96 1i1x s PHE 61 N -1.07 3.43 -0.21 2.20 0.40 -1.26 -4.10 117.98 117.37 1i1x s PHE 61 Ca 0.24 1.60 -0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1i1x s PHE 61 Cb -0.10 -2.82 0.06 0.00 0.51 0.00 0.00 43.02 40.66 1i1x s PHE 61 CO -0.11 0.02 -0.02 1.21 0.70 0.00 0.00 175.22 177.02 1i1x s ASN 62 N -2.02 3.35 0.00 1.36 3.84 0.16 -4.98 114.94 116.64 1i1x s ASN 62 Ca 0.57 -0.97 0.11 0.00 0.21 0.00 0.00 52.86 52.79 1i1x s ASN 62 Cb -0.12 -0.91 0.27 0.00 -0.55 0.00 0.00 41.25 39.94 1i1x s ASN 62 CO 0.17 -0.26 1.17 0.49 -2.79 0.00 0.00 177.10 175.88 1i1x n PHE 63 N 4.85 0.37 -0.01 0.43 3.72 -1.26 -4.18 117.46 121.37 1i1x n PHE 63 Ca -0.11 -0.37 -0.09 0.00 -0.05 0.00 0.00 57.45 56.83 1i1x n PHE 63 Cb 0.46 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1i1x n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i1x h ALA 64 N 2.19 0.04 -0.41 4.37 0.00 -1.94 0.11 119.26 123.61 1i1x h ALA 64 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1i1x h ALA 64 Cb 0.68 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1i1x h ALA 64 CO 0.00 -0.52 -0.19 0.78 0.00 0.00 0.00 179.25 179.32 1i1x h GLY 65 N -0.06 0.93 0.97 0.00 0.00 -1.88 -2.41 103.07 100.62 1i1x h GLY 65 Ca 0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1i1x h GLY 65 CO -0.18 0.76 0.15 0.00 0.00 0.00 0.00 176.54 177.27 1i1x h ALA 66 N 0.83 0.66 -0.77 3.60 0.00 -1.67 -2.47 119.26 119.43 1i1x h ALA 66 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1i1x h ALA 66 Cb 0.75 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1i1x h ALA 66 CO 0.06 0.32 0.36 -0.44 0.00 0.00 0.00 179.25 179.56 1i1x h ASP 67 N 0.68 1.02 -0.38 0.00 3.32 -0.75 -1.22 116.42 119.10 1i1x h ASP 67 Ca 0.16 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1i1x h ASP 67 Cb 0.29 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1i1x h ASP 67 CO -0.00 0.87 0.21 0.22 -1.72 0.00 0.00 179.24 178.81 1i1x h TYR 68 N 1.09 0.38 -0.27 4.55 3.20 -1.16 -0.98 116.97 123.78 1i1x h TYR 68 Ca 0.26 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1i1x h TYR 68 Cb 0.13 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1i1x h TYR 68 CO 0.01 0.21 0.02 1.25 -1.64 0.00 0.00 178.16 178.01 1i1x h LEU 69 N 0.42 0.45 -0.40 2.82 5.85 -1.12 -0.61 115.31 122.72 1i1x h LEU 69 Ca 0.16 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1i1x h LEU 69 Cb 0.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1i1x h LEU 69 CO -0.09 0.63 0.18 0.58 -0.34 0.00 0.00 178.44 179.39 1i1x h VAL 70 N 0.26 1.18 -0.50 1.05 2.07 -1.06 -0.26 116.25 119.00 1i1x h VAL 70 Ca 0.08 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1i1x h VAL 70 Cb 0.38 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1i1x h VAL 70 CO 0.01 0.20 0.03 0.78 0.02 0.00 0.00 177.57 178.61 1i1x h ASN 71 N 0.50 0.83 -0.47 0.57 2.35 -1.12 -0.77 115.58 117.47 1i1x h ASN 71 Ca 0.13 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1i1x h ASN 71 Cb 0.15 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1i1x h ASN 71 CO -0.01 0.91 0.30 -0.25 -1.65 0.00 0.00 177.43 176.73 1i1x h TRP 72 N 0.72 0.56 -0.55 1.19 7.01 -0.84 -1.18 115.95 122.86 1i1x h TRP 72 Ca 0.15 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1i1x h TRP 72 Cb 0.47 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1i1x h TRP 72 CO 0.03 0.34 0.24 0.00 -2.79 0.00 0.00 178.44 176.27 1i1x h ALA 73 N 1.19 0.71 -0.46 2.65 0.00 -0.83 -1.70 119.26 120.82 1i1x h ALA 73 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1i1x h ALA 73 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1i1x h ALA 73 CO -0.06 0.30 0.20 1.96 0.00 0.00 0.00 179.25 181.65 1i1x h GLN 74 N 0.75 0.68 -0.24 0.00 1.08 -0.87 0.27 115.11 116.77 1i1x h GLN 74 Ca 0.19 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1i1x h GLN 74 Cb 0.16 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1i1x h GLN 74 CO -0.02 0.60 0.10 1.96 -0.95 0.00 0.00 178.83 180.53 1i1x h GLN 75 N 0.60 0.33 -0.50 1.46 4.20 -0.96 -2.95 115.11 117.30 1i1x h GLN 75 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1i1x h GLN 75 Cb 0.17 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1i1x h GLN 75 CO -0.02 0.28 0.00 0.09 -0.67 0.00 0.00 178.83 178.51 1i1x n ASN 76 N -4.44 3.46 -1.26 1.46 3.02 -0.66 -4.97 115.26 111.86 1i1x n ASN 76 Ca 0.01 -1.96 -0.11 0.00 -0.03 0.00 0.00 54.58 52.48 1i1x n ASN 76 Cb 0.12 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1i1x n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1x n GLY 77 N 1.29 -0.04 3.79 7.41 0.00 -0.30 -5.02 105.19 112.32 1i1x n GLY 77 Ca 0.19 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1i1x n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1x s LYS 78 N -4.50 3.44 0.66 1.61 -0.14 -0.07 -4.92 119.74 115.83 1i1x s LYS 78 Ca 0.00 -0.23 -0.15 0.00 -1.36 0.00 0.00 55.97 54.23 1i1x s LYS 78 Cb 0.00 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1i1x s LYS 78 CO 0.00 0.67 1.12 -0.51 -0.76 0.00 0.00 175.35 175.88 1i1x s LEU 79 N -0.75 3.39 -0.04 3.17 1.43 -0.64 -4.41 118.68 120.82 1i1x s LEU 79 Ca 0.13 2.05 0.06 0.00 -1.03 0.00 0.00 54.13 55.33 1i1x s LEU 79 Cb -0.12 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 1i1x s LEU 79 CO 0.03 -1.70 -0.21 -0.63 0.23 0.00 0.00 176.35 174.07 1i1x s ILE 80 N -2.28 1.74 -0.21 -0.59 1.01 -1.26 -0.64 121.20 118.96 1i1x s ILE 80 Ca 0.68 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1i1x s ILE 80 Cb -0.22 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1i1x s ILE 80 CO 0.42 0.49 0.03 -0.13 0.00 0.00 0.00 174.94 175.75 1i1x s ARG 81 N -0.15 3.68 0.22 2.79 0.52 -0.71 -1.49 118.95 123.81 1i1x s ARG 81 Ca -0.01 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 1i1x s ARG 81 Cb -0.12 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 1i1x s ARG 81 CO 0.02 -0.02 1.00 0.20 0.02 0.00 0.00 175.30 176.53 1i1x s GLY 82 N 1.11 3.06 -0.20 -3.53 0.00 0.56 -4.07 107.32 104.25 1i1x s GLY 82 Ca 0.03 0.70 -0.06 0.00 0.00 0.00 0.00 44.72 45.39 1i1x s GLY 82 CO 0.02 1.35 0.40 -1.58 0.00 0.00 0.00 173.10 173.30 1i1x s HIS 83 N -0.90 -0.76 -0.01 1.90 5.04 -1.26 -0.89 115.29 118.41 1i1x s HIS 83 Ca 0.44 1.40 -0.07 0.00 -1.54 0.00 0.00 55.06 55.28 1i1x s HIS 83 Cb -0.27 0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.59 1i1x s HIS 83 CO 0.34 -0.49 0.14 -0.08 -2.34 0.00 0.00 174.74 172.31 1i1x s THR 84 N 2.59 0.07 -0.15 0.89 -1.32 -1.25 -3.79 115.64 112.68 1i1x s THR 84 Ca 0.00 -0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 59.73 1i1x s THR 84 Cb -0.12 -0.41 -0.13 0.00 -1.51 0.00 0.00 72.50 70.32 1i1x s THR 84 CO -0.13 -0.32 0.27 -0.07 -2.21 0.00 0.00 174.62 172.16 1i1x h LEU 85 N 4.50 0.00 -7.99 9.08 3.38 -1.49 -3.40 115.31 119.39 1i1x h LEU 85 Ca -0.30 -0.44 -0.67 0.00 0.09 0.00 0.00 57.88 56.56 1i1x h LEU 85 Cb 1.19 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.60 1i1x h LEU 85 CO 0.40 0.94 -0.78 -0.69 0.09 0.00 0.00 178.44 178.40 1i1x s VAL 86 N -2.08 2.46 -0.09 1.22 1.01 -0.22 -4.83 120.40 117.87 1i1x s VAL 86 Ca -0.15 -1.34 -0.24 0.00 0.00 0.00 0.00 61.98 60.24 1i1x s VAL 86 Cb 0.01 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1i1x s VAL 86 CO 0.40 0.10 0.57 0.86 0.00 0.00 0.00 175.10 177.03 1i1x s TRP 87 N 1.21 -0.54 -0.53 5.22 -0.00 -1.26 -1.45 118.94 121.59 1i1x s TRP 87 Ca -0.04 1.04 0.24 0.00 -0.00 0.00 0.00 56.10 57.34 1i1x s TRP 87 Cb -0.18 0.28 0.41 0.00 -0.00 0.00 0.00 33.47 33.98 1i1x s TRP 87 CO -0.05 -0.48 1.49 1.12 -0.00 0.00 0.00 176.95 179.03 1i1x h HIS 88 N 3.80 0.00 -3.09 5.86 2.07 -1.92 -3.44 115.15 118.43 1i1x h HIS 88 Ca -0.28 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 56.74 1i1x h HIS 88 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1i1x h HIS 88 CO 0.42 0.00 -0.14 0.45 -3.07 0.00 0.00 177.93 175.59 1i1x s SER 89 N -5.16 6.38 -1.52 3.10 0.15 -1.26 -4.32 113.70 111.07 1i1x s SER 89 Ca 0.06 0.63 -0.11 0.00 0.70 0.00 0.00 55.95 57.24 1i1x s SER 89 Cb 0.10 -2.11 0.08 0.00 -1.71 0.00 0.00 66.02 62.37 1i1x s SER 89 CO 0.68 -0.25 0.83 0.00 1.20 0.00 0.00 173.24 175.70 1i1x n GLN 90 N -1.31 -4.68 -4.20 5.44 6.02 -1.26 -4.89 117.38 112.51 1i1x n GLN 90 Ca -0.03 0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 57.15 1i1x n GLN 90 Cb 0.55 -5.24 -0.14 0.00 1.02 0.00 0.00 30.24 26.43 1i1x n GLN 90 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1i1x s LEU 91 N -7.15 2.91 0.65 1.08 2.96 -1.26 -1.83 118.68 116.04 1i1x s LEU 91 Ca 0.49 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 1i1x s LEU 91 Cb -0.25 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1i1x s LEU 91 CO 0.86 0.06 1.17 -2.84 -1.32 0.00 0.00 176.35 174.27 1i1x s PRO 92 N 1.02 2.70 0.54 0.98 0.02 -1.26 -4.87 135.00 134.13 1i1x s PRO 92 Ca 0.00 1.67 0.27 0.00 0.02 0.00 0.00 61.00 62.95 1i1x s PRO 92 Cb -0.15 -1.91 1.53 0.00 0.02 0.00 0.00 34.50 33.99 1i1x s PRO 92 CO -0.00 -1.38 2.13 0.66 -0.33 0.00 0.00 177.00 178.07 1i1x h SER 93 N 0.31 0.00 0.08 2.53 4.64 -1.99 -1.40 113.55 117.72 1i1x h SER 93 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1i1x h SER 93 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1i1x h SER 93 CO 0.53 0.08 -0.07 4.11 -0.87 0.00 0.00 176.83 180.62 1i1x h TRP 94 N 0.00 0.00 0.04 4.77 5.08 -1.91 -1.90 115.95 122.02 1i1x h TRP 94 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 1i1x h TRP 94 Cb 0.22 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.38 1i1x h TRP 94 CO 0.00 0.07 -0.28 0.28 -1.28 0.00 0.00 178.44 177.23 1i1x h VAL 95 N 0.00 1.65 0.00 0.12 2.07 -1.61 -3.35 116.25 115.14 1i1x h VAL 95 Ca -0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1i1x h VAL 95 Cb 0.13 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1i1x h VAL 95 CO 0.01 0.61 0.00 -1.54 0.02 0.00 0.00 177.57 176.67 1i1x n SER 96 N -4.46 0.00 -0.09 0.57 3.41 -1.06 -2.13 113.62 109.86 1i1x n SER 96 Ca -0.11 0.38 0.14 0.00 -0.26 0.00 0.00 58.87 59.02 1i1x n SER 96 Cb 0.57 -0.45 0.60 0.00 -0.26 0.00 0.00 64.21 64.67 1i1x n SER 96 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i1x n SER 97 N -1.45 0.40 -4.72 4.04 3.41 -0.74 -4.88 113.62 109.69 1i1x n SER 97 Ca 0.07 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.81 1i1x n SER 97 Cb 0.25 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1i1x n SER 97 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1i1x s ILE 98 N -2.54 4.68 -0.41 -1.33 1.01 -0.91 -4.94 121.20 116.76 1i1x s ILE 98 Ca 0.27 2.01 0.03 0.00 0.00 0.00 0.00 60.65 62.96 1i1x s ILE 98 Cb 0.20 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1i1x s ILE 98 CO 0.49 0.20 0.62 0.35 0.00 0.00 0.00 174.94 176.61 1i1x n THR 99 N 3.55 0.04 -3.48 2.92 -2.24 -1.26 -4.98 114.28 108.83 1i1x n THR 99 Ca 0.05 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 1i1x n THR 99 Cb 0.50 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.70 1i1x n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1x s ASP 100 N -0.31 6.38 0.10 3.42 2.15 -1.26 -4.95 116.67 122.21 1i1x s ASP 100 Ca 0.04 0.45 -0.21 0.00 0.43 0.00 0.00 52.55 53.25 1i1x s ASP 100 Cb 0.03 -2.19 -0.11 0.00 -0.30 0.00 0.00 42.92 40.34 1i1x s ASP 100 CO 0.04 0.00 1.74 0.50 -0.17 0.00 0.00 175.17 177.29 1i1x h LYS 101 N 7.17 0.13 -0.60 4.34 3.64 -1.95 -1.13 116.57 128.17 1i1x h LYS 101 Ca -0.38 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1i1x h LYS 101 Cb 1.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1i1x h LYS 101 CO 0.72 0.10 0.07 -0.91 -2.27 0.00 0.00 179.45 177.16 1i1x h ASN 102 N 0.12 0.99 0.11 4.20 2.35 -1.94 -0.80 115.58 120.61 1i1x h ASN 102 Ca 0.04 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1i1x h ASN 102 Cb 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1i1x h ASN 102 CO -0.01 1.02 -0.06 0.74 -1.65 0.00 0.00 177.43 177.47 1i1x h THR 103 N 0.92 0.89 -0.59 2.81 2.02 -1.93 -2.03 112.91 115.01 1i1x h THR 103 Ca 0.18 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1i1x h THR 103 Cb 0.47 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1i1x h THR 103 CO 0.02 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.17 1i1x h LEU 104 N -0.15 0.98 -0.48 2.58 5.85 -1.06 -1.59 115.31 121.44 1i1x h LEU 104 Ca -0.01 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1i1x h LEU 104 Cb 0.12 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1i1x h LEU 104 CO 0.02 1.02 0.25 0.74 -0.34 0.00 0.00 178.44 180.14 1i1x h THR 105 N 0.93 0.98 -0.37 1.05 2.02 -1.03 0.22 112.91 116.71 1i1x h THR 105 Ca 0.17 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1i1x h THR 105 Cb 0.52 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1i1x h THR 105 CO 0.03 0.09 -0.30 0.78 0.37 0.00 0.00 175.52 176.48 1i1x h ASN 106 N 0.50 0.83 -0.35 4.18 2.35 -1.09 -0.96 115.58 121.03 1i1x h ASN 106 Ca 0.21 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1i1x h ASN 106 Cb 0.10 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1i1x h ASN 106 CO -0.14 1.07 0.21 0.58 -1.65 0.00 0.00 177.43 177.50 1i1x h VAL 107 N 0.67 1.06 -0.26 2.81 2.07 -1.06 -0.69 116.25 120.85 1i1x h VAL 107 Ca 0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1i1x h VAL 107 Cb 0.84 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1i1x h VAL 107 CO 0.07 0.08 0.09 -0.03 0.02 0.00 0.00 177.57 177.81 1i1x h MET 108 N 0.44 0.39 -0.59 1.57 1.85 -0.73 -0.94 114.93 116.91 1i1x h MET 108 Ca 0.13 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1i1x h MET 108 Cb -0.02 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 1i1x h MET 108 CO -0.05 0.44 0.33 0.87 -0.40 0.00 0.00 176.91 178.10 1i1x h LYS 109 N 0.26 0.82 -0.77 0.39 1.57 -1.09 -1.60 116.57 116.15 1i1x h LYS 109 Ca 0.08 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1i1x h LYS 109 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1i1x h LYS 109 CO -0.01 0.62 0.30 -0.97 -0.57 0.00 0.00 179.45 178.83 1i1x h ASN 110 N 0.80 1.07 -0.28 0.86 -1.24 -1.00 -0.04 115.58 115.75 1i1x h ASN 110 Ca 0.21 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1i1x h ASN 110 Cb 0.03 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1i1x h ASN 110 CO -0.03 0.96 0.15 -0.74 -1.29 0.00 0.00 177.43 176.47 1i1x h HIS 111 N 1.12 0.38 0.41 0.67 2.76 -0.79 -0.97 115.15 118.72 1i1x h HIS 111 Ca 0.26 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1i1x h HIS 111 Cb 0.23 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1i1x h HIS 111 CO 0.02 0.31 -0.26 0.82 -1.30 0.00 0.00 177.93 177.52 1i1x h ILE 112 N 0.33 0.46 -0.70 6.26 2.04 -1.12 -2.68 117.51 122.10 1i1x h ILE 112 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1i1x h ILE 112 Cb 0.06 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1i1x h ILE 112 CO -0.02 0.00 0.25 0.74 0.00 0.00 0.00 178.15 179.12 1i1x h THR 113 N -0.65 1.25 -0.15 -0.27 2.02 -0.92 -1.36 112.91 112.83 1i1x h THR 113 Ca -0.04 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1i1x h THR 113 Cb 0.54 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1i1x h THR 113 CO 0.04 0.33 0.06 0.74 0.37 0.00 0.00 175.52 177.06 1i1x h THR 114 N 1.01 1.16 -0.34 3.16 2.02 -1.17 -0.68 112.91 118.08 1i1x h THR 114 Ca 0.23 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1i1x h THR 114 Cb 0.26 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1i1x h THR 114 CO -0.01 0.15 -0.00 -0.07 0.37 0.00 0.00 175.52 175.95 1i1x h LEU 115 N 0.09 0.59 -0.60 2.58 3.38 -1.39 -2.79 115.31 117.17 1i1x h LEU 115 Ca 0.05 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1i1x h LEU 115 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i1x h LEU 115 CO -0.00 0.76 -0.49 0.24 0.09 0.00 0.00 178.44 179.03 1i1x h MET 116 N 0.40 0.53 -0.09 1.13 2.86 -1.19 -3.00 114.93 115.56 1i1x h MET 116 Ca 0.09 -0.30 -0.12 0.00 -2.06 0.00 0.00 59.70 57.31 1i1x h MET 116 Cb 0.46 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1i1x h MET 116 CO 0.02 0.90 -0.46 0.00 1.06 0.00 0.00 176.91 178.43 1i1x h THR 117 N 0.42 1.33 -0.65 2.22 1.03 -1.13 -2.28 112.91 113.83 1i1x h THR 117 Ca 0.02 -1.63 0.01 0.00 -0.01 0.00 0.00 66.41 64.80 1i1x h THR 117 Cb 1.01 1.76 -0.03 0.00 -1.07 0.00 0.00 68.15 69.82 1i1x h THR 117 CO 0.09 0.48 0.43 -0.09 -0.01 0.00 0.00 175.52 176.43 1i1x h ARG 118 N 0.19 0.85 -0.28 0.00 2.43 -1.35 -2.74 114.38 113.47 1i1x h ARG 118 Ca 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1i1x h ARG 118 Cb 0.88 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1i1x h ARG 118 CO 0.07 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.76 1i1x n TYR 119 N -4.44 1.02 -1.64 2.20 4.01 -1.14 -5.04 117.16 112.13 1i1x n TYR 119 Ca 0.07 -0.91 -0.50 0.00 -0.16 0.00 0.00 57.90 56.40 1i1x n TYR 119 Cb 0.05 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 38.69 1i1x n TYR 119 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1i1x n LYS 120 N -0.50 1.64 -0.16 -0.72 4.81 -0.87 -1.15 118.16 121.20 1i1x n LYS 120 Ca 0.23 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1i1x n LYS 120 Cb 0.92 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1i1x n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i1x n GLY 121 N 3.16 2.12 0.00 3.14 0.00 -1.26 -4.86 105.19 107.50 1i1x n GLY 121 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1i1x n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i1x n LYS 122 N -2.00 0.80 -4.03 1.61 5.02 -0.30 -4.93 118.16 114.33 1i1x n LYS 122 Ca 0.00 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 1i1x n LYS 122 Cb 0.00 -1.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1i1x n LYS 122 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1i1x s ILE 123 N -2.88 2.62 0.19 -0.18 -1.09 -1.24 -4.58 121.20 114.03 1i1x s ILE 123 Ca 0.04 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.63 1i1x s ILE 123 Cb 0.14 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1i1x s ILE 123 CO 0.77 0.47 1.56 -0.09 -1.23 0.00 0.00 174.94 176.42 1i1x h ARG 124 N 8.01 0.75 -2.97 2.79 2.43 -1.62 -3.41 114.38 120.36 1i1x h ARG 124 Ca -0.43 -0.37 -0.12 0.00 -0.81 0.00 0.00 59.98 58.25 1i1x h ARG 124 Cb 1.15 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.49 1i1x h ARG 124 CO 0.62 0.99 -0.26 0.00 -1.51 0.00 0.00 179.97 179.81 1i1x s ALA 125 N -4.38 -0.84 -0.03 2.80 0.00 -1.23 -1.11 121.76 116.98 1i1x s ALA 125 Ca -0.09 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1i1x s ALA 125 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1i1x s ALA 125 CO 0.85 -0.25 -0.23 -1.58 0.00 0.00 0.00 175.76 174.55 1i1x s TRP 126 N -1.07 2.13 -0.73 0.00 0.52 -0.16 -0.32 118.94 119.31 1i1x s TRP 126 Ca -0.11 -0.48 -0.25 0.00 0.02 0.00 0.00 56.10 55.27 1i1x s TRP 126 Cb -0.05 -1.39 0.05 0.00 -1.15 0.00 0.00 33.47 30.94 1i1x s TRP 126 CO 0.04 -0.09 1.17 -0.51 0.02 0.00 0.00 176.95 177.57 1i1x s ASP 127 N -0.39 6.19 -0.07 2.95 1.01 -0.07 -0.68 116.67 125.62 1i1x s ASP 127 Ca 0.05 -0.74 -0.27 0.00 0.71 0.00 0.00 52.55 52.30 1i1x s ASP 127 Cb -0.10 -2.50 -0.23 0.00 1.01 0.00 0.00 42.92 41.09 1i1x s ASP 127 CO 0.01 -1.66 1.03 0.58 0.21 0.00 0.00 175.17 175.34 1i1x h VAL 128 N 6.04 1.57 -3.41 -1.27 2.07 -1.43 -2.27 116.25 117.56 1i1x h VAL 128 Ca -0.25 -1.78 -0.63 0.00 0.82 0.00 0.00 66.70 64.87 1i1x h VAL 128 Cb 1.05 2.75 -0.33 0.00 -1.52 0.00 0.00 31.29 33.24 1i1x h VAL 128 CO 1.25 0.47 -0.86 -0.69 0.02 0.00 0.00 177.57 177.76 1i1x s VAL 129 N -3.25 1.77 -0.09 2.57 1.01 -1.22 -1.05 120.40 120.13 1i1x s VAL 129 Ca -0.17 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1i1x s VAL 129 Cb -0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1i1x s VAL 129 CO 0.70 0.49 -0.22 0.21 0.00 0.00 0.00 175.10 176.29 1i1x s ASN 130 N 0.41 3.31 -1.27 3.32 2.47 -0.53 -1.71 114.94 120.93 1i1x s ASN 130 Ca -0.17 -0.48 -0.03 0.00 0.42 0.00 0.00 52.86 52.60 1i1x s ASN 130 Cb -0.17 -1.25 0.01 0.00 -1.45 0.00 0.00 41.25 38.39 1i1x s ASN 130 CO 0.07 0.20 1.01 -0.62 -3.72 0.00 0.00 177.10 174.03 1i1x n GLU 131 N 3.29 -6.69 0.00 0.43 1.02 -0.23 -4.60 120.64 113.85 1i1x n GLU 131 Ca -0.18 0.80 0.14 0.00 -0.02 0.00 0.00 57.16 57.89 1i1x n GLU 131 Cb 0.53 -5.76 0.54 0.00 -0.02 0.00 0.00 31.44 26.72 1i1x n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i1x n ALA 132 N -4.40 2.68 -2.59 0.62 0.00 -1.26 -4.85 120.51 110.70 1i1x n ALA 132 Ca -0.20 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.73 1i1x n ALA 132 Cb 0.64 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 1i1x n ALA 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i1x s PHE 133 N -2.92 2.94 0.92 0.00 0.40 -1.26 -0.68 117.98 117.38 1i1x s PHE 133 Ca 0.16 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1i1x s PHE 133 Cb 0.19 -1.70 0.14 0.00 0.51 0.00 0.00 43.02 42.17 1i1x s PHE 133 CO 0.56 0.35 1.17 -0.80 0.70 0.00 0.00 175.22 177.21 1i1x s ASN 134 N -0.94 3.49 0.42 1.36 0.01 0.96 -4.65 114.94 115.58 1i1x s ASN 134 Ca 0.13 0.79 0.28 0.00 -0.71 0.00 0.00 52.86 53.35 1i1x s ASN 134 Cb -0.11 -1.23 1.02 0.00 0.41 0.00 0.00 41.25 41.34 1i1x s ASN 134 CO 0.03 -2.55 1.82 -0.33 -1.51 0.00 0.00 177.10 174.56 1i1x h GLU 135 N -1.50 0.00 -0.07 -0.60 4.39 -2.00 -1.84 114.58 112.97 1i1x h GLU 135 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1i1x h GLU 135 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1i1x h GLU 135 CO 0.57 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.02 1i1x n ASP 136 N -2.78 1.55 0.00 1.42 5.75 -1.26 -3.75 116.55 117.48 1i1x n ASP 136 Ca 0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1i1x n ASP 136 Cb 0.34 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1i1x n ASP 136 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1x n GLY 137 N 1.16 1.08 3.81 6.12 0.00 -0.69 -4.73 105.19 111.94 1i1x n GLY 137 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1i1x n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i1x s SER 138 N -3.01 4.13 0.12 1.61 1.04 -1.26 -4.77 113.70 111.56 1i1x s SER 138 Ca 0.00 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 1i1x s SER 138 Cb 0.00 -1.75 -0.06 0.00 0.10 0.00 0.00 66.02 64.31 1i1x s SER 138 CO 0.00 -2.17 0.99 -0.76 0.98 0.00 0.00 173.24 172.27 1i1x s LEU 139 N -5.84 4.49 0.22 2.42 1.43 -1.26 -0.03 118.68 120.11 1i1x s LEU 139 Ca 0.62 1.84 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 1i1x s LEU 139 Cb -0.14 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1i1x s LEU 139 CO 0.53 -0.10 1.61 -0.60 0.23 0.00 0.00 176.35 178.02 1i1x s ARG 140 N -0.02 4.17 -1.33 1.70 3.52 0.14 -4.65 118.95 122.48 1i1x s ARG 140 Ca 0.48 2.49 -0.14 0.00 -0.13 0.00 0.00 55.73 58.42 1i1x s ARG 140 Cb -0.24 -3.09 0.10 0.00 -1.56 0.00 0.00 34.95 30.16 1i1x s ARG 140 CO 0.30 -0.64 1.87 1.04 -0.81 0.00 0.00 175.30 177.07 1i1x n GLN 141 N 3.31 3.20 -2.66 5.12 6.02 -1.26 -4.70 117.38 126.41 1i1x n GLN 141 Ca 0.12 -3.21 -0.22 0.00 -0.01 0.00 0.00 57.00 53.68 1i1x n GLN 141 Cb 0.37 -3.24 0.06 0.00 1.02 0.00 0.00 30.24 28.46 1i1x n GLN 141 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1i1x s THR 142 N 2.67 2.44 0.38 5.09 -4.23 -1.26 -4.84 115.64 115.88 1i1x s THR 142 Ca 0.47 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1i1x s THR 142 Cb 0.07 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.45 1i1x s THR 142 CO -0.00 0.00 1.94 1.62 -0.54 0.00 0.00 174.62 177.64 1i1x h VAL 143 N -0.12 0.95 -0.23 2.29 3.04 -1.94 0.11 116.25 120.34 1i1x h VAL 143 Ca -0.39 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1i1x h VAL 143 Cb 1.29 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1i1x h VAL 143 CO 0.47 0.12 0.02 -0.26 -1.01 0.00 0.00 177.57 176.91 1i1x h PHE 144 N 0.67 0.42 -0.45 3.17 0.04 -1.95 -0.95 116.94 117.88 1i1x h PHE 144 Ca 0.34 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.99 1i1x h PHE 144 Cb 0.44 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1i1x h PHE 144 CO -0.00 0.53 0.07 1.25 -0.60 0.00 0.00 178.31 179.56 1i1x h LEU 145 N 0.18 0.72 -0.79 1.54 5.85 -1.60 -0.62 115.31 120.59 1i1x h LEU 145 Ca 0.07 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 1i1x h LEU 145 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1i1x h LEU 145 CO 0.01 0.80 -0.36 0.78 -0.34 0.00 0.00 178.44 179.33 1i1x h ASN 146 N 0.62 0.51 0.02 1.25 2.35 -0.66 -1.37 115.58 118.30 1i1x h ASN 146 Ca 0.14 -0.21 -0.39 0.00 -0.55 0.00 0.00 56.30 55.28 1i1x h ASN 146 Cb 0.39 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 1i1x h ASN 146 CO 0.01 0.83 -2.28 0.52 -1.65 0.00 0.00 177.43 174.86 1i1x n VAL 147 N -4.06 1.55 0.01 2.81 0.31 -0.38 -4.58 118.33 114.01 1i1x n VAL 147 Ca -0.01 -0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 63.70 1i1x n VAL 147 Cb 0.48 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.56 1i1x n VAL 147 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1i1x h ILE 148 N -0.46 0.84 0.00 2.52 2.04 -1.25 -3.39 117.51 117.81 1i1x h ILE 148 Ca -0.57 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 62.71 1i1x h ILE 148 Cb 1.75 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 40.38 1i1x h ILE 148 CO -0.20 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.31 1i1x n GLY 149 N 1.77 -3.77 0.32 5.37 0.00 -0.52 -4.57 105.19 103.80 1i1x n GLY 149 Ca -0.23 -2.07 0.20 0.00 0.00 0.00 0.00 46.02 43.91 1i1x n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i1x h GLU 150 N 0.00 0.00 0.00 1.61 5.08 -1.89 -1.64 114.58 117.73 1i1x h GLU 150 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1x h GLU 150 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i1x h GLU 150 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1i1x n ASP 151 N -3.40 0.14 -0.00 1.42 8.00 -1.26 -2.91 116.55 118.53 1i1x n ASP 151 Ca -0.03 0.55 0.06 0.00 0.71 0.00 0.00 54.79 56.07 1i1x n ASP 151 Cb 0.08 -0.57 0.45 0.00 -0.02 0.00 0.00 41.12 41.06 1i1x n ASP 151 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1i1x h TYR 152 N 0.00 0.48 0.22 1.24 -0.00 -1.58 -1.22 116.97 116.12 1i1x h TYR 152 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 1i1x h TYR 152 Cb 0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.71 1i1x h TYR 152 CO 0.00 0.29 -0.11 0.82 -0.00 0.00 0.00 178.16 179.16 1i1x h ILE 153 N 0.50 0.78 -0.75 -0.90 2.04 -1.79 -0.68 117.51 116.72 1i1x h ILE 153 Ca 0.17 -0.90 0.12 0.00 1.00 0.00 0.00 64.86 65.25 1i1x h ILE 153 Cb 0.05 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1i1x h ILE 153 CO -0.04 0.17 0.34 -0.65 0.00 0.00 0.00 178.15 177.98 1i1x h PRO 154 N -0.81 0.53 -0.57 2.37 0.11 -1.73 -1.97 132.00 129.92 1i1x h PRO 154 Ca -0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1i1x h PRO 154 Cb 0.51 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1i1x h PRO 154 CO 0.05 0.35 0.29 0.82 -0.21 0.00 0.00 178.00 179.29 1i1x h ILE 155 N 0.54 1.20 -0.40 4.15 2.04 -1.18 -0.53 117.51 123.33 1i1x h ILE 155 Ca 0.39 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1i1x h ILE 155 Cb 0.51 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1i1x h ILE 155 CO -0.34 0.22 0.25 0.00 0.00 0.00 0.00 178.15 178.29 1i1x h ALA 156 N 1.12 0.51 -0.37 1.87 0.00 -0.57 -0.90 119.26 120.92 1i1x h ALA 156 Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1i1x h ALA 156 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1i1x h ALA 156 CO -0.03 -0.06 -0.29 0.74 0.00 0.00 0.00 179.25 179.62 1i1x h PHE 157 N 0.52 1.00 -0.78 0.00 0.04 -1.13 -1.57 116.94 115.02 1i1x h PHE 157 Ca 0.15 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 1i1x h PHE 157 Cb -0.03 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 1i1x h PHE 157 CO -0.06 1.07 0.46 1.96 -0.60 0.00 0.00 178.31 181.14 1i1x h GLN 158 N 0.65 1.07 -0.49 1.51 4.20 -0.97 -1.06 115.11 120.02 1i1x h GLN 158 Ca 0.07 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1i1x h GLN 158 Cb 0.86 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1i1x h GLN 158 CO 0.08 0.76 0.03 1.15 -0.67 0.00 0.00 178.83 180.18 1i1x h THR 159 N 1.08 1.26 -0.59 -0.54 2.02 -1.07 -2.49 112.91 112.57 1i1x h THR 159 Ca 0.28 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1i1x h THR 159 Cb -0.02 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1i1x h THR 159 CO -0.05 0.36 0.17 0.00 0.37 0.00 0.00 175.52 176.36 1i1x h ALA 160 N 0.94 0.78 -0.89 6.16 0.00 -1.05 -2.11 119.26 123.09 1i1x h ALA 160 Ca 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i1x h ALA 160 Cb 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1i1x h ALA 160 CO 0.02 0.47 0.54 -0.09 0.00 0.00 0.00 179.25 180.19 1i1x h ARG 161 N 0.85 1.20 -0.25 0.00 9.65 -1.08 -2.11 114.38 122.64 1i1x h ARG 161 Ca 0.19 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 1i1x h ARG 161 Cb 0.32 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1i1x h ARG 161 CO -0.00 0.84 -0.28 0.00 2.80 0.00 0.00 179.97 183.33 1i1x h ALA 162 N 1.37 1.05 -0.25 2.80 0.00 -1.17 -2.94 119.26 120.12 1i1x h ALA 162 Ca 0.32 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1i1x h ALA 162 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i1x h ALA 162 CO -0.06 0.58 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 1i1x h ALA 163 N 1.26 0.41 -1.77 0.00 0.00 -0.74 -3.41 119.26 115.01 1i1x h ALA 163 Ca 0.06 -0.51 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 1i1x h ALA 163 Cb 0.71 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.15 1i1x h ALA 163 CO 0.05 0.61 -0.62 0.34 0.00 0.00 0.00 179.25 179.64 1i1x s ASP 164 N -6.88 0.62 0.00 0.00 -1.08 -0.91 -4.60 116.67 103.82 1i1x s ASP 164 Ca -0.11 -1.16 0.10 0.00 -0.52 0.00 0.00 52.55 50.86 1i1x s ASP 164 Cb 0.09 0.89 0.47 0.00 -1.46 0.00 0.00 42.92 42.91 1i1x s ASP 164 CO 0.88 -0.27 1.31 -2.65 0.52 0.00 0.00 175.17 174.96 1i1x n PRO 165 N 4.57 0.04 0.13 4.34 -0.02 -1.11 -2.40 135.00 140.54 1i1x n PRO 165 Ca 0.08 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1i1x n PRO 165 Cb 0.48 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.56 1i1x n PRO 165 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1i1x h ASN 166 N 0.00 0.00 -3.80 2.55 -1.24 -1.95 -3.47 115.58 107.68 1i1x h ASN 166 Ca 0.00 -0.04 -0.48 0.00 0.71 0.00 0.00 56.30 56.49 1i1x h ASN 166 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1i1x h ASN 166 CO 0.00 0.02 0.31 0.00 -1.29 0.00 0.00 177.43 176.46 1i1x s ALA 167 N -3.27 3.27 -0.04 1.57 0.00 -1.01 -4.96 121.76 117.32 1i1x s ALA 167 Ca 0.03 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1i1x s ALA 167 Cb 0.09 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1i1x s ALA 167 CO 0.73 0.21 0.92 0.15 0.00 0.00 0.00 175.76 177.78 1i1x s LYS 168 N -1.86 4.50 -0.27 0.00 -0.14 -0.27 -4.93 119.74 116.77 1i1x s LYS 168 Ca 0.47 1.29 -0.11 0.00 -1.36 0.00 0.00 55.97 56.27 1i1x s LYS 168 Cb -0.20 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 1i1x s LYS 168 CO 0.25 -0.09 0.17 -0.51 -0.76 0.00 0.00 175.35 174.41 1i1x s LEU 169 N 1.20 3.96 0.09 3.17 1.43 -1.26 -0.99 118.68 126.28 1i1x s LEU 169 Ca 0.48 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 1i1x s LEU 169 Cb -0.20 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1i1x s LEU 169 CO 0.24 -0.04 -0.08 -0.31 0.23 0.00 0.00 176.35 176.39 1i1x s TYR 170 N 1.69 2.81 -0.15 0.29 1.51 0.15 -0.50 117.35 123.14 1i1x s TYR 170 Ca 0.07 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1i1x s TYR 170 Cb -0.16 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1i1x s TYR 170 CO 0.10 0.43 0.10 -1.50 -1.11 0.00 0.00 175.55 173.57 1i1x s ILE 171 N -1.21 5.16 -0.01 2.71 2.07 -0.83 -1.10 121.20 128.00 1i1x s ILE 171 Ca 0.22 0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.61 1i1x s ILE 171 Cb -0.11 -3.29 -0.02 0.00 0.13 0.00 0.00 42.46 39.17 1i1x s ILE 171 CO 0.14 0.53 -0.19 0.21 -1.91 0.00 0.00 174.94 173.72 1i1x s ASN 172 N -0.29 2.21 0.27 4.50 2.47 -0.70 -0.47 114.94 122.93 1i1x s ASN 172 Ca 0.10 -0.36 -0.21 0.00 0.42 0.00 0.00 52.86 52.81 1i1x s ASN 172 Cb -0.12 -0.24 0.02 0.00 -1.45 0.00 0.00 41.25 39.47 1i1x s ASN 172 CO 0.01 0.22 0.70 -0.62 -3.72 0.00 0.00 177.10 173.69 1i1x s ASP 173 N -0.52 -0.28 0.39 -4.21 -1.08 -0.64 -1.07 116.67 109.26 1i1x s ASP 173 Ca 0.07 -0.57 0.08 0.00 -0.52 0.00 0.00 52.55 51.60 1i1x s ASP 173 Cb -0.07 0.71 -0.06 0.00 -1.46 0.00 0.00 42.92 42.04 1i1x s ASP 173 CO -0.00 -1.31 0.09 -0.72 0.52 0.00 0.00 175.17 173.75 1i1x s TYR 174 N -3.91 2.57 -1.37 -5.34 1.13 -1.26 -0.66 117.35 108.50 1i1x s TYR 174 Ca 0.11 -0.56 -0.09 0.00 -1.41 0.00 0.00 57.07 55.12 1i1x s TYR 174 Cb -0.05 -1.78 0.01 0.00 -1.10 0.00 0.00 41.96 39.04 1i1x s TYR 174 CO 0.05 0.33 1.16 0.09 -2.51 0.00 0.00 175.55 174.68 1i1x n ASN 175 N -1.09 -6.36 -1.82 -0.18 3.02 -1.26 -4.91 115.26 102.65 1i1x n ASN 175 Ca -0.03 -0.54 -0.19 0.00 -0.03 0.00 0.00 54.58 53.80 1i1x n ASN 175 Cb 0.64 -5.01 0.15 0.00 -0.61 0.00 0.00 39.78 34.96 1i1x n ASN 175 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1i1x n LEU 176 N -4.97 5.75 -0.00 3.41 4.77 -1.26 -4.43 117.00 120.26 1i1x n LEU 176 Ca 0.01 -3.92 0.10 0.00 -0.03 0.00 0.00 56.01 52.17 1i1x n LEU 176 Cb 0.56 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 1i1x n LEU 176 CO 0.65 1.32 -0.07 0.47 -1.33 0.00 0.00 177.39 178.42 1i1x n ASP 177 N -1.06 0.94 -4.13 -1.43 8.00 -1.26 -4.79 116.55 112.82 1i1x n ASP 177 Ca 0.49 -0.95 -0.26 0.00 0.71 0.00 0.00 54.79 54.78 1i1x n ASP 177 Cb 1.18 1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 43.15 1i1x n ASP 177 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1i1x s SER 178 N -2.98 2.12 0.50 -2.24 0.01 -1.26 -3.34 113.70 106.52 1i1x s SER 178 Ca 0.07 -0.34 0.27 0.00 1.31 0.00 0.00 55.95 57.26 1i1x s SER 178 Cb 0.15 -0.54 1.33 0.00 0.21 0.00 0.00 66.02 67.17 1i1x s SER 178 CO 0.84 0.16 2.01 0.00 0.41 0.00 0.00 173.24 176.66 1i1x h ALA 179 N 6.19 1.20 -0.01 1.44 0.00 -1.84 -2.81 119.26 123.42 1i1x h ALA 179 Ca -0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i1x h ALA 179 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1i1x h ALA 179 CO 0.48 0.18 -0.25 -1.13 0.00 0.00 0.00 179.25 178.52 1i1x n SER 180 N -3.55 1.65 -4.77 0.00 3.41 -1.26 -4.62 113.62 104.47 1i1x n SER 180 Ca -0.01 -1.31 -0.40 0.00 -0.26 0.00 0.00 58.87 56.88 1i1x n SER 180 Cb 0.29 0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1i1x n SER 180 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1i1x s TYR 181 N -2.35 2.88 0.29 7.33 2.02 -1.06 -4.91 117.35 121.55 1i1x s TYR 181 Ca 0.25 1.37 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1i1x s TYR 181 Cb 0.19 -3.73 0.59 0.00 -0.40 0.00 0.00 41.96 38.62 1i1x s TYR 181 CO 0.48 -2.13 1.83 -1.35 -1.57 0.00 0.00 175.55 172.80 1i1x h PRO 182 N 3.03 0.92 -0.49 -1.71 0.11 -1.92 -2.31 132.00 129.63 1i1x h PRO 182 Ca -0.50 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 1i1x h PRO 182 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1i1x h PRO 182 CO 0.64 0.61 -0.11 -0.22 -0.21 0.00 0.00 178.00 178.71 1i1x h LYS 183 N 0.95 0.91 -0.24 1.05 3.64 -1.85 -1.82 116.57 119.22 1i1x h LYS 183 Ca 0.51 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1i1x h LYS 183 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1i1x h LYS 183 CO -0.28 0.97 0.09 1.15 -2.27 0.00 0.00 179.45 179.11 1i1x h THR 184 N 0.82 1.17 -0.81 1.00 2.02 -1.63 -1.44 112.91 114.03 1i1x h THR 184 Ca 0.13 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1i1x h THR 184 Cb 0.64 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1i1x h THR 184 CO 0.04 0.18 0.42 1.56 0.37 0.00 0.00 175.52 178.09 1i1x h GLN 185 N 0.23 1.15 -0.39 6.66 1.08 -1.41 -2.78 115.11 119.65 1i1x h GLN 185 Ca 0.08 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 1i1x h GLN 185 Cb 0.19 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1i1x h GLN 185 CO -0.01 0.86 -0.22 0.00 -0.95 0.00 0.00 178.83 178.51 1i1x h ALA 186 N 1.22 0.55 -0.61 3.87 0.00 -1.02 -1.97 119.26 121.31 1i1x h ALA 186 Ca 0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1i1x h ALA 186 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1i1x h ALA 186 CO -0.04 0.53 0.09 0.97 0.00 0.00 0.00 179.25 180.80 1i1x h ILE 187 N 0.64 1.25 -0.03 0.00 2.10 -1.19 0.29 117.51 120.58 1i1x h ILE 187 Ca 0.08 -0.99 0.00 0.00 1.08 0.00 0.00 64.86 65.04 1i1x h ILE 187 Cb 0.79 0.68 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1i1x h ILE 187 CO 0.06 0.37 0.02 0.58 -1.08 0.00 0.00 178.15 178.10 1i1x h VAL 188 N 0.93 1.01 -0.35 2.19 2.07 -1.39 -0.05 116.25 120.66 1i1x h VAL 188 Ca 0.19 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1i1x h VAL 188 Cb 0.41 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1i1x h VAL 188 CO 0.01 0.01 0.19 -1.13 0.02 0.00 0.00 177.57 176.67 1i1x h ASN 189 N 0.03 0.44 -0.16 0.57 -1.24 -1.02 -1.30 115.58 112.91 1i1x h ASN 189 Ca 0.01 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.77 1i1x h ASN 189 Cb 0.00 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1i1x h ASN 189 CO -0.00 0.41 -0.43 0.03 -1.29 0.00 0.00 177.43 176.15 1i1x h ARG 190 N 0.44 0.71 -0.71 6.67 2.47 -0.83 -1.93 114.38 121.20 1i1x h ARG 190 Ca 0.12 -0.38 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 1i1x h ARG 190 Cb 0.07 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1i1x h ARG 190 CO -0.02 1.00 0.28 0.28 0.56 0.00 0.00 179.97 182.07 1i1x h VAL 191 N 0.57 1.25 -0.64 2.04 2.07 -0.89 0.17 116.25 120.82 1i1x h VAL 191 Ca 0.04 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1i1x h VAL 191 Cb 0.98 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1i1x h VAL 191 CO 0.09 0.31 0.37 0.11 0.02 0.00 0.00 177.57 178.48 1i1x h LYS 192 N 1.01 0.69 -0.33 1.57 1.57 -1.05 -0.45 116.57 119.58 1i1x h LYS 192 Ca 0.23 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1i1x h LYS 192 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1i1x h LYS 192 CO -0.02 0.45 -0.04 0.87 -0.57 0.00 0.00 179.45 180.15 1i1x h LYS 193 N 0.71 0.61 -0.49 3.15 1.57 -0.87 -1.42 116.57 119.82 1i1x h LYS 193 Ca 0.27 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1i1x h LYS 193 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1i1x h LYS 193 CO -0.14 0.76 0.28 -1.49 -0.57 0.00 0.00 179.45 178.28 1i1x h TRP 194 N 0.40 0.66 -0.39 -1.35 6.55 -0.79 -2.23 115.95 118.78 1i1x h TRP 194 Ca 0.09 -0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.83 1i1x h TRP 194 Cb 0.51 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.58 1i1x h TRP 194 CO 0.04 0.48 -0.12 0.00 -1.05 0.00 0.00 178.44 177.79 1i1x h ARG 195 N 0.65 0.70 0.00 0.49 3.08 -1.01 -1.25 114.38 117.04 1i1x h ARG 195 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1i1x h ARG 195 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1i1x h ARG 195 CO -0.03 0.80 -0.05 0.00 -1.07 0.00 0.00 179.97 179.63 1i1x h ALA 196 N 1.23 1.13 -0.33 0.04 0.00 -0.93 -1.42 119.26 118.97 1i1x h ALA 196 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i1x h ALA 196 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1i1x h ALA 196 CO 0.04 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1i1x n ALA 197 N -2.17 2.46 -0.48 0.00 0.00 -0.76 -4.94 120.51 114.63 1i1x n ALA 197 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1i1x n ALA 197 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1i1x n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1x n GLY 198 N 1.24 0.75 3.71 0.00 0.00 -0.53 -5.05 105.19 105.30 1i1x n GLY 198 Ca 0.16 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1i1x n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1x s VAL 199 N -2.00 4.52 -1.28 1.61 1.01 -0.55 -4.93 120.40 118.78 1i1x s VAL 199 Ca 0.00 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 63.68 1i1x s VAL 199 Cb 0.00 -4.19 0.10 0.00 0.00 0.00 0.00 36.38 32.30 1i1x s VAL 199 CO 0.00 0.17 1.68 -0.81 0.00 0.00 0.00 175.10 176.14 1i1x n PRO 200 N 3.69 3.25 -3.55 2.72 -0.04 -1.26 -4.32 135.00 135.49 1i1x n PRO 200 Ca 0.06 -3.43 -0.41 0.00 -0.04 0.00 0.00 63.50 59.68 1i1x n PRO 200 Cb 0.49 -3.32 -0.11 0.00 -0.04 0.00 0.00 33.50 30.53 1i1x n PRO 200 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i1x s ILE 201 N 3.16 4.87 -0.18 0.52 1.01 -1.26 -4.77 121.20 124.55 1i1x s ILE 201 Ca 0.49 -0.72 0.20 0.00 0.00 0.00 0.00 60.65 60.62 1i1x s ILE 201 Cb 0.03 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1i1x s ILE 201 CO 0.04 -0.23 0.90 0.47 0.00 0.00 0.00 174.94 176.12 1i1x n ASP 202 N 5.06 0.79 -3.77 3.58 8.00 0.35 -4.74 116.55 125.83 1i1x n ASP 202 Ca -0.12 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 1i1x n ASP 202 Cb 0.47 0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 41.91 1i1x n ASP 202 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1i1x s GLY 203 N -4.57 -0.15 -0.20 0.44 0.00 -0.67 -1.84 107.32 100.33 1i1x s GLY 203 Ca -0.02 0.35 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 1i1x s GLY 203 CO 0.81 0.16 0.02 -0.42 0.00 0.00 0.00 173.10 173.66 1i1x s ILE 204 N -1.19 4.12 -0.20 0.90 1.01 -1.08 -1.96 121.20 122.79 1i1x s ILE 204 Ca -0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1i1x s ILE 204 Cb -0.05 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1i1x s ILE 204 CO 0.04 0.42 0.12 -0.83 0.00 0.00 0.00 174.94 174.69 1i1x s GLY 205 N 0.95 2.01 -0.29 6.18 0.00 0.38 -1.85 107.32 114.70 1i1x s GLY 205 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 1i1x s GLY 205 CO 0.02 0.15 0.02 -0.45 0.00 0.00 0.00 173.10 172.84 1i1x s SER 206 N 0.43 4.88 0.17 1.64 0.15 -0.26 -1.62 113.70 119.09 1i1x s SER 206 Ca 0.07 -1.04 -0.15 0.00 0.70 0.00 0.00 55.95 55.53 1i1x s SER 206 Cb -0.12 -1.76 0.06 0.00 -1.71 0.00 0.00 66.02 62.50 1i1x s SER 206 CO -0.01 -0.23 1.81 1.56 1.20 0.00 0.00 173.24 177.57 1i1x h GLN 207 N 8.09 0.54 -4.40 5.44 4.20 -1.19 -1.24 115.11 126.56 1i1x h GLN 207 Ca -0.26 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.22 1i1x h GLN 207 Cb 1.09 -0.12 0.11 0.00 0.30 0.00 0.00 27.48 28.86 1i1x h GLN 207 CO 0.57 0.36 -0.51 2.41 -0.67 0.00 0.00 178.83 180.99 1i1x n THR 208 N -4.82 -4.43 -2.93 -0.54 -1.04 -1.26 -1.36 114.28 97.91 1i1x n THR 208 Ca 0.02 -0.45 -0.44 0.00 -2.04 0.00 0.00 64.05 61.14 1i1x n THR 208 Cb 0.06 -4.39 -0.03 0.00 -1.82 0.00 0.00 70.33 64.15 1i1x n THR 208 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1i1x s HIS 209 N -3.24 2.89 0.16 -1.42 3.76 -1.26 -2.73 115.29 113.45 1i1x s HIS 209 Ca 0.07 -0.93 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1i1x s HIS 209 Cb -0.01 -4.24 -0.04 0.00 1.11 0.00 0.00 32.58 29.40 1i1x s HIS 209 CO 0.47 -1.53 0.24 -0.51 -0.85 0.00 0.00 174.74 172.56 1i1x s LEU 210 N 3.32 4.17 0.47 0.89 1.43 -0.42 -4.92 118.68 123.62 1i1x s LEU 210 Ca 0.24 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1i1x s LEU 210 Cb -0.14 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1i1x s LEU 210 CO 0.02 0.05 0.72 -0.44 0.23 0.00 0.00 176.35 176.94 1i1x s SER 211 N -3.22 5.93 0.22 2.29 0.01 -1.26 -1.64 113.70 116.03 1i1x s SER 211 Ca 0.33 0.51 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 1i1x s SER 211 Cb -0.11 -1.77 -0.11 0.00 0.21 0.00 0.00 66.02 64.24 1i1x s SER 211 CO 0.27 -0.69 1.63 0.00 0.41 0.00 0.00 173.24 174.85 1i1x s ALA 212 N -2.64 3.82 0.00 1.44 0.00 -1.24 -2.01 121.76 121.13 1i1x s ALA 212 Ca 0.48 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1i1x s ALA 212 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1i1x s ALA 212 CO 0.40 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1i1x n GLY 213 N 3.29 1.15 0.03 0.00 0.00 -1.26 -4.93 105.19 103.47 1i1x n GLY 213 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1i1x n GLY 213 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i1x n GLN 214 N -2.00 0.13 -0.12 1.61 7.27 -0.85 -4.18 117.38 119.24 1i1x n GLN 214 Ca 0.00 -0.06 0.07 0.00 0.07 0.00 0.00 57.00 57.08 1i1x n GLN 214 Cb 0.00 -1.50 0.41 0.00 2.41 0.00 0.00 30.24 31.56 1i1x n GLN 214 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1i1x h GLY 215 N 4.99 0.78 1.65 1.69 0.00 -1.82 -1.50 103.07 108.86 1i1x h GLY 215 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1i1x h GLY 215 CO 0.00 0.19 0.16 0.00 0.00 0.00 0.00 176.54 176.89 1i1x h ALA 216 N 1.66 2.00 0.00 3.60 0.00 -1.88 -1.80 119.26 122.84 1i1x h ALA 216 Ca 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1i1x h ALA 216 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i1x h ALA 216 CO -0.08 -0.04 -0.32 1.03 0.00 0.00 0.00 179.25 179.84 1i1x h SER 217 N 0.18 0.00 0.32 0.00 0.87 -1.53 -2.75 113.55 110.65 1i1x h SER 217 Ca 0.10 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1i1x h SER 217 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1i1x h SER 217 CO -0.02 0.32 -0.17 0.58 -0.53 0.00 0.00 176.83 177.01 1i1x h VAL 218 N 0.00 0.81 -0.53 2.23 2.07 -1.32 -1.55 116.25 117.97 1i1x h VAL 218 Ca -0.00 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1i1x h VAL 218 Cb 0.57 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1i1x h VAL 218 CO 0.04 0.17 0.36 -0.07 0.02 0.00 0.00 177.57 178.08 1i1x h LEU 219 N 0.00 0.33 0.01 2.57 3.38 -1.58 -1.73 115.31 118.29 1i1x h LEU 219 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1i1x h LEU 219 Cb 0.38 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1i1x h LEU 219 CO 0.02 0.21 -2.13 0.00 0.09 0.00 0.00 178.44 176.63 1i1x n GLN 220 N -4.47 0.67 -0.03 1.13 6.02 -0.87 -4.47 117.38 115.36 1i1x n GLN 220 Ca 0.08 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 57.06 1i1x n GLN 220 Cb 0.32 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 1i1x n GLN 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i1x h ALA 221 N 0.87 0.51 -0.44 -1.58 0.00 -1.04 -3.24 119.26 114.34 1i1x h ALA 221 Ca -0.45 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 53.79 1i1x h ALA 221 Cb 2.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1i1x h ALA 221 CO 0.04 0.69 -0.21 1.25 0.00 0.00 0.00 179.25 181.02 1i1x h LEU 222 N 0.54 0.95 -1.46 0.00 5.85 -1.55 -1.04 115.31 118.59 1i1x h LEU 222 Ca -0.01 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1i1x h LEU 222 Cb 1.21 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1i1x h LEU 222 CO 0.13 1.14 0.41 -0.65 -0.34 0.00 0.00 178.44 179.12 1i1x h PRO 223 N 0.75 0.67 -0.51 5.25 0.11 -1.78 -1.49 132.00 135.00 1i1x h PRO 223 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1i1x h PRO 223 Cb 0.78 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1i1x h PRO 223 CO 0.06 0.44 0.08 1.25 -0.21 0.00 0.00 178.00 179.63 1i1x h LEU 224 N 0.69 0.82 -0.88 2.35 5.85 -1.40 -2.36 115.31 120.38 1i1x h LEU 224 Ca 0.25 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1i1x h LEU 224 Cb 0.14 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1i1x h LEU 224 CO -0.07 0.87 0.57 -0.07 -0.34 0.00 0.00 178.44 179.40 1i1x h LEU 225 N 0.73 0.95 -2.05 2.25 3.38 -0.58 -1.68 115.31 118.32 1i1x h LEU 225 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1i1x h LEU 225 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i1x h LEU 225 CO 0.01 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 179.16 1i1x h ALA 226 N 1.36 1.07 0.00 1.53 0.00 -1.01 -2.75 119.26 119.46 1i1x h ALA 226 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1i1x h ALA 226 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i1x h ALA 226 CO -0.11 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1i1x n SER 227 N -3.24 0.39 0.18 0.00 3.41 -0.63 -2.54 113.62 111.18 1i1x n SER 227 Ca -0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1i1x n SER 227 Cb 0.22 -0.68 0.60 0.00 -0.26 0.00 0.00 64.21 64.09 1i1x n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1x h ALA 228 N 2.38 1.00 0.00 7.33 0.00 -1.60 -3.47 119.26 124.90 1i1x h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i1x h ALA 228 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1i1x h ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1i1x n GLY 229 N -0.41 0.66 3.77 0.00 0.00 -1.05 -4.50 105.19 103.66 1i1x n GLY 229 Ca 0.01 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1i1x n GLY 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1x s THR 230 N -2.00 3.18 0.49 2.61 -4.23 -1.26 -4.93 115.64 109.50 1i1x s THR 230 Ca 0.00 0.70 0.15 0.00 -1.18 0.00 0.00 61.69 61.36 1i1x s THR 230 Cb 0.00 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.88 1i1x s THR 230 CO 0.00 -0.20 2.09 -0.65 -0.54 0.00 0.00 174.62 175.32 1i1x h PRO 231 N 0.96 0.17 -5.04 3.99 0.11 -1.81 -3.44 132.00 126.93 1i1x h PRO 231 Ca -0.49 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.26 1i1x h PRO 231 Cb 1.26 -0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1i1x h PRO 231 CO 0.56 0.11 -0.75 -1.21 -0.21 0.00 0.00 178.00 176.51 1i1x s GLU 232 N -5.19 0.82 0.17 1.05 2.02 -0.76 -4.77 118.70 112.02 1i1x s GLU 232 Ca -0.06 -1.07 0.06 0.00 0.02 0.00 0.00 54.97 53.92 1i1x s GLU 232 Cb 0.18 -0.61 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1i1x s GLU 232 CO 0.70 0.11 -0.12 0.14 0.02 0.00 0.00 175.26 176.11 1i1x s VAL 233 N -2.01 1.38 0.02 2.63 -7.23 -0.27 -2.63 120.40 112.29 1i1x s VAL 233 Ca 0.02 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 57.93 1i1x s VAL 233 Cb -0.06 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 35.02 1i1x s VAL 233 CO 0.01 -0.67 0.37 0.00 -0.31 0.00 0.00 175.10 174.50 1i1x s ALA 234 N -3.13 -0.92 -0.37 1.32 0.00 -0.77 -1.75 121.76 116.14 1i1x s ALA 234 Ca 0.18 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 1i1x s ALA 234 Cb 0.01 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1i1x s ALA 234 CO 0.03 -0.37 0.56 0.42 0.00 0.00 0.00 175.76 176.40 1i1x s ILE 235 N -1.98 4.96 -0.04 0.00 -1.09 -1.02 -1.10 121.20 120.93 1i1x s ILE 235 Ca -0.09 0.34 0.17 0.00 -2.23 0.00 0.00 60.65 58.85 1i1x s ILE 235 Cb -0.02 -4.03 -0.26 0.00 -1.58 0.00 0.00 42.46 36.57 1i1x s ILE 235 CO 0.01 -0.30 0.34 0.35 -1.23 0.00 0.00 174.94 174.11 1i1x n THR 236 N 5.52 0.15 -2.72 2.92 -2.24 -0.47 -0.95 114.28 116.49 1i1x n THR 236 Ca -0.04 -0.44 -0.05 0.00 -2.27 0.00 0.00 64.05 61.26 1i1x n THR 236 Cb 0.49 0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1i1x n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1x n GLU 237 N -2.17 1.35 -2.01 -0.78 1.02 -0.46 -4.53 120.64 113.06 1i1x n GLU 237 Ca -0.06 -2.64 -0.42 0.00 -0.02 0.00 0.00 57.16 54.02 1i1x n GLU 237 Cb 0.53 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 31.15 1i1x n GLU 237 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1i1x s LEU 238 N -3.50 4.38 0.10 -4.62 2.96 -0.10 -4.34 118.68 113.56 1i1x s LEU 238 Ca 0.23 2.62 -0.22 0.00 -0.22 0.00 0.00 54.13 56.53 1i1x s LEU 238 Cb 0.41 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.54 1i1x s LEU 238 CO -0.04 -0.73 0.55 1.51 -1.32 0.00 0.00 176.35 176.31 1i1x s ASP 239 N 0.66 -0.48 -0.07 3.68 1.47 -1.11 -1.02 116.67 119.80 1i1x s ASP 239 Ca 0.63 0.06 -0.03 0.00 1.18 0.00 0.00 52.55 54.39 1i1x s ASP 239 Cb -0.42 0.54 0.04 0.00 -0.34 0.00 0.00 42.92 42.74 1i1x s ASP 239 CO 0.38 -0.84 0.09 -0.69 0.68 0.00 0.00 175.17 174.79 1i1x s VAL 240 N -3.15 -0.14 0.09 2.11 1.01 -0.94 -1.30 120.40 118.09 1i1x s VAL 240 Ca -0.02 0.31 -0.35 0.00 0.00 0.00 0.00 61.98 61.92 1i1x s VAL 240 Cb -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 36.38 35.98 1i1x s VAL 240 CO -0.07 0.09 1.55 0.00 0.00 0.00 0.00 175.10 176.67 1i1x n ALA 241 N 5.30 0.57 0.00 5.51 0.00 -0.65 -0.83 120.51 130.41 1i1x n ALA 241 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1i1x n ALA 241 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1i1x n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1x n GLY 242 N 3.29 2.91 3.70 0.00 0.00 0.03 -3.73 105.19 111.39 1i1x n GLY 242 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1i1x n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1x n ALA 243 N -0.49 -1.22 -1.81 4.61 0.00 -0.01 -4.92 120.51 116.67 1i1x n ALA 243 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1i1x n ALA 243 Cb 0.00 -4.43 -0.02 0.00 0.00 0.00 0.00 19.45 15.00 1i1x n ALA 243 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i1x s SER 244 N -3.17 6.57 0.40 0.00 1.04 -1.26 -4.56 113.70 112.72 1i1x s SER 244 Ca 0.59 2.80 0.09 0.00 0.48 0.00 0.00 55.95 59.91 1i1x s SER 244 Cb -0.29 -2.64 0.87 0.00 0.10 0.00 0.00 66.02 64.07 1i1x s SER 244 CO 0.73 -0.73 2.00 0.28 0.98 0.00 0.00 173.24 176.49 1i1x h SER 245 N 4.19 0.51 -0.40 7.02 0.02 -1.91 -2.00 113.55 120.97 1i1x h SER 245 Ca -0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1i1x h SER 245 Cb 1.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1i1x h SER 245 CO 0.72 0.33 0.21 0.74 -1.14 0.00 0.00 176.83 177.70 1i1x h THR 246 N 0.58 1.16 -0.19 -2.27 2.02 -1.98 -0.31 112.91 111.92 1i1x h THR 246 Ca 0.25 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1i1x h THR 246 Cb 0.26 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1i1x h THR 246 CO -0.07 0.17 0.01 0.44 0.37 0.00 0.00 175.52 176.43 1i1x h ASP 247 N 0.52 0.32 -0.61 4.18 3.32 -1.83 -1.99 116.42 120.33 1i1x h ASP 247 Ca 0.14 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1i1x h ASP 247 Cb 0.08 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1i1x h ASP 247 CO -0.02 0.54 0.28 1.88 -1.72 0.00 0.00 179.24 180.20 1i1x h TYR 248 N 0.09 0.90 -0.59 4.55 0.05 -1.21 -2.13 116.97 118.63 1i1x h TYR 248 Ca 0.05 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1i1x h TYR 248 Cb 0.37 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1i1x h TYR 248 CO 0.03 0.69 0.04 0.28 -1.05 0.00 0.00 178.16 178.15 1i1x h VAL 249 N 0.84 1.26 -0.92 -2.88 2.07 -1.07 -2.06 116.25 113.50 1i1x h VAL 249 Ca 0.21 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1i1x h VAL 249 Cb 0.15 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1i1x h VAL 249 CO -0.02 0.39 0.61 0.78 0.02 0.00 0.00 177.57 179.35 1i1x h ASN 250 N 0.92 1.05 -0.50 0.57 2.35 -1.07 0.07 115.58 118.98 1i1x h ASN 250 Ca 0.17 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1i1x h ASN 250 Cb 0.49 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1i1x h ASN 250 CO 0.02 0.76 -0.03 0.58 -1.65 0.00 0.00 177.43 177.12 1i1x h VAL 251 N 1.24 1.27 -0.51 2.81 2.07 -1.02 -0.05 116.25 122.06 1i1x h VAL 251 Ca 0.34 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1i1x h VAL 251 Cb -0.14 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1i1x h VAL 251 CO -0.07 0.39 0.32 0.58 0.02 0.00 0.00 177.57 178.81 1i1x h VAL 252 N 0.76 1.15 -0.25 2.57 2.07 -1.12 -2.34 116.25 119.09 1i1x h VAL 252 Ca 0.14 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1i1x h VAL 252 Cb 0.55 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1i1x h VAL 252 CO 0.03 0.15 -0.16 0.78 0.02 0.00 0.00 177.57 178.39 1i1x h ASN 253 N 0.69 0.43 -0.52 0.57 2.35 -0.76 -0.97 115.58 117.37 1i1x h ASN 253 Ca 0.18 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1i1x h ASN 253 Cb -0.03 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1i1x h ASN 253 CO -0.04 0.62 0.29 0.00 -1.65 0.00 0.00 177.43 176.65 1i1x h ALA 254 N 1.43 0.66 -0.55 -0.83 0.00 -0.62 -1.07 119.26 118.28 1i1x h ALA 254 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1i1x h ALA 254 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i1x h ALA 254 CO 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.32 1i1x h LEU 256 N 0.81 0.68 -0.16 0.00 3.38 -0.88 -2.63 115.31 116.51 1i1x h LEU 256 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1i1x h LEU 256 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1i1x h LEU 256 CO 0.01 0.47 0.00 0.59 0.09 0.00 0.00 178.44 179.60 1i1x n ASN 257 N -4.46 0.69 -4.21 -0.43 3.02 -0.43 -4.66 115.26 104.77 1i1x n ASN 257 Ca 0.08 0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 54.86 1i1x n ASN 257 Cb 0.14 -0.76 -0.13 0.00 -0.61 0.00 0.00 39.78 38.41 1i1x n ASN 257 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i1x s VAL 258 N -3.14 3.24 0.32 2.41 1.01 -0.99 -5.00 120.40 118.24 1i1x s VAL 258 Ca 0.09 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1i1x s VAL 258 Cb 0.12 -2.81 0.28 0.00 0.00 0.00 0.00 36.38 33.98 1i1x s VAL 258 CO 0.53 -0.07 1.92 -1.28 0.00 0.00 0.00 175.10 176.21 1i1x h SER 259 N 8.07 0.85 0.26 3.32 0.87 -1.83 -1.36 113.55 123.73 1i1x h SER 259 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1i1x h SER 259 Cb 1.08 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1i1x h SER 259 CO 0.56 0.55 -0.01 -1.54 -0.53 0.00 0.00 176.83 175.86 1i1x n SER 260 N -4.48 0.06 -4.60 6.23 3.41 -1.26 -4.67 113.62 108.31 1i1x n SER 260 Ca 0.13 -0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 57.68 1i1x n SER 260 Cb 0.20 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1i1x n SER 260 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1x h VAL 262 N 6.49 0.49 0.00 0.00 -1.51 -1.61 -3.46 116.25 116.64 1i1x h VAL 262 Ca -0.29 -1.76 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1i1x h VAL 262 Cb 1.12 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 1i1x h VAL 262 CO 1.07 0.28 0.00 0.61 -1.23 0.00 0.00 177.57 178.30 1i1x n GLY 263 N 1.24 -1.75 2.97 5.19 0.00 -1.26 -0.73 105.19 110.86 1i1x n GLY 263 Ca -0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 1i1x n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1x s ILE 264 N -2.17 0.65 -0.14 -0.61 1.01 -1.08 -2.42 121.20 116.44 1i1x s ILE 264 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1i1x s ILE 264 Cb 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1i1x s ILE 264 CO 0.00 0.21 -0.20 -0.89 0.00 0.00 0.00 174.94 174.07 1i1x s THR 265 N 0.25 2.29 0.10 2.92 2.01 -0.12 -0.37 115.64 122.72 1i1x s THR 265 Ca -0.04 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 1i1x s THR 265 Cb -0.08 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.43 1i1x s THR 265 CO 0.00 0.54 0.51 0.68 -0.69 0.00 0.00 174.62 175.66 1i1x s VAL 266 N 0.78 4.89 -1.33 3.82 -7.23 -0.24 -0.92 120.40 120.18 1i1x s VAL 266 Ca -0.07 0.86 -0.07 0.00 -1.81 0.00 0.00 61.98 60.88 1i1x s VAL 266 Cb -0.16 -3.75 0.12 0.00 0.56 0.00 0.00 36.38 33.16 1i1x s VAL 266 CO -0.01 0.36 2.23 1.87 -0.31 0.00 0.00 175.10 179.25 1i1x n TRP 267 N 1.16 2.72 0.00 2.82 -0.00 -0.19 -1.53 117.44 122.41 1i1x n TRP 267 Ca -0.08 -2.83 0.00 0.00 -0.00 0.00 0.00 57.50 54.59 1i1x n TRP 267 Cb 0.52 -1.92 0.00 0.00 -0.00 0.00 0.00 31.31 29.90 1i1x n TRP 267 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i1x n GLY 268 N 2.26 2.31 0.03 5.87 0.00 -1.26 -4.79 105.19 109.61 1i1x n GLY 268 Ca 0.55 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 1i1x n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i1x n VAL 269 N -1.20 0.48 -4.55 1.61 0.31 -1.26 -4.73 118.33 109.00 1i1x n VAL 269 Ca 0.00 0.39 -0.34 0.00 -0.01 0.00 0.00 64.34 64.38 1i1x n VAL 269 Cb 0.00 -1.79 -0.11 0.00 -0.91 0.00 0.00 33.84 31.04 1i1x n VAL 269 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i1x s ALA 270 N -2.95 3.06 0.26 3.52 0.00 -1.26 -2.96 121.76 121.43 1i1x s ALA 270 Ca -0.08 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1i1x s ALA 270 Cb 0.01 -1.27 0.42 0.00 0.00 0.00 0.00 23.12 22.29 1i1x s ALA 270 CO 0.12 0.58 1.59 -0.44 0.00 0.00 0.00 175.76 177.61 1i1x h ASP 271 N 5.11 -0.71 0.34 0.00 3.32 -1.40 -1.33 116.42 121.74 1i1x h ASP 271 Ca -0.49 0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1i1x h ASP 271 Cb 1.18 0.51 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1i1x h ASP 271 CO 0.53 -0.28 0.00 1.55 -1.72 0.00 0.00 179.24 179.32 1i1x h PRO 272 N 0.01 0.00 -0.05 3.56 0.13 -1.87 -1.83 132.00 131.95 1i1x h PRO 272 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1i1x h PRO 272 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1i1x h PRO 272 CO -0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 176.65 1i1x n ASP 273 N -2.96 2.08 -4.79 1.44 8.00 -0.50 -4.84 116.55 114.97 1i1x n ASP 273 Ca -0.02 -1.70 -0.34 0.00 0.71 0.00 0.00 54.79 53.45 1i1x n ASP 273 Cb 0.14 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1i1x n ASP 273 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1i1x s SER 274 N -1.94 6.14 0.37 -2.24 0.15 -0.69 -4.92 113.70 110.57 1i1x s SER 274 Ca 0.34 1.98 0.26 0.00 0.70 0.00 0.00 55.95 59.23 1i1x s SER 274 Cb 0.20 -2.56 1.30 0.00 -1.71 0.00 0.00 66.02 63.25 1i1x s SER 274 CO 0.32 -0.93 1.79 4.11 1.20 0.00 0.00 173.24 179.73 1i1x h TRP 275 N 1.36 0.00 -1.97 3.44 5.08 -1.89 -2.82 115.95 119.15 1i1x h TRP 275 Ca -0.49 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 58.97 1i1x h TRP 275 Cb 1.23 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.98 1i1x h TRP 275 CO 0.56 0.00 -1.02 2.89 -1.28 0.00 0.00 178.44 179.59 1i1x n ARG 276 N -2.42 1.76 -0.11 0.12 1.85 -1.26 -4.95 116.66 111.65 1i1x n ARG 276 Ca -0.00 -3.85 0.17 0.00 -1.00 0.00 0.00 57.85 53.16 1i1x n ARG 276 Cb 0.12 -1.84 0.56 0.00 -1.05 0.00 0.00 32.46 30.24 1i1x n ARG 276 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1i1x h ALA 277 N 2.97 2.24 0.00 2.89 0.00 -1.70 -0.80 119.26 124.86 1i1x h ALA 277 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i1x h ALA 277 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1i1x h ALA 277 CO 0.61 -0.42 0.00 0.66 0.00 0.00 0.00 179.25 180.10 1i1x h SER 278 N 0.28 0.00 -0.37 0.00 4.64 -1.89 -1.15 113.55 115.06 1i1x h SER 278 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1i1x h SER 278 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1i1x h SER 278 CO -0.08 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.23 1i1x n THR 279 N -2.66 0.48 -3.89 2.95 -2.24 -0.31 -4.99 114.28 103.62 1i1x n THR 279 Ca -0.00 -0.60 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 1i1x n THR 279 Cb 0.18 0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 1i1x n THR 279 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i1x n THR 280 N 0.97 -2.13 0.31 4.28 -2.24 -0.44 -0.79 114.28 114.24 1i1x n THR 280 Ca 0.18 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1i1x n THR 280 Cb 0.46 -1.84 0.24 0.00 -2.10 0.00 0.00 70.33 67.09 1i1x n THR 280 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1i1x n PRO 281 N -3.68 2.48 -3.23 -0.78 -0.04 -1.26 -3.74 135.00 124.75 1i1x n PRO 281 Ca -0.13 -2.24 -0.20 0.00 -0.04 0.00 0.00 63.50 60.89 1i1x n PRO 281 Cb 0.46 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1i1x n PRO 281 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i1x n LEU 282 N 1.43 0.00 0.02 1.53 4.77 -1.26 -2.21 117.00 121.28 1i1x n LEU 282 Ca 0.20 -2.23 0.11 0.00 -0.03 0.00 0.00 56.01 54.06 1i1x n LEU 282 Cb 0.59 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1i1x n LEU 282 CO 0.16 -0.54 0.18 0.18 -1.33 0.00 0.00 177.39 176.03 1i1x n LEU 283 N 0.00 0.63 -4.27 2.23 4.77 -1.26 -4.85 117.00 114.26 1i1x n LEU 283 Ca 0.01 -0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 1i1x n LEU 283 Cb 0.50 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1i1x n LEU 283 CO 0.30 0.08 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.54 1i1x s PHE 284 N -3.11 2.01 0.56 -1.77 0.40 -1.16 -0.97 117.98 113.94 1i1x s PHE 284 Ca 0.07 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1i1x s PHE 284 Cb 0.15 -1.24 0.12 0.00 0.51 0.00 0.00 43.02 42.56 1i1x s PHE 284 CO 0.77 0.04 0.76 -0.40 0.70 0.00 0.00 175.22 177.09 1i1x n ASP 285 N 2.15 0.54 0.09 1.36 5.68 -0.43 -1.37 116.55 124.57 1i1x n ASP 285 Ca -0.16 -1.57 0.09 0.00 -0.50 0.00 0.00 54.79 52.65 1i1x n ASP 285 Cb 0.53 -0.54 0.41 0.00 -1.14 0.00 0.00 41.12 40.38 1i1x n ASP 285 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1x n GLY 286 N -0.40 -1.06 1.46 6.12 0.00 -1.26 -0.95 105.19 109.10 1i1x n GLY 286 Ca 0.11 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1i1x n GLY 286 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i1x n ASN 287 N -1.97 4.42 -1.63 1.61 5.15 -1.26 -4.94 115.26 116.63 1i1x n ASN 287 Ca 0.02 -2.30 -0.16 0.00 -0.60 0.00 0.00 54.58 51.53 1i1x n ASN 287 Cb 0.16 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.84 1i1x n ASN 287 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1i1x n PHE 288 N 1.23 -0.48 -3.91 1.20 3.72 -0.12 -5.01 117.46 114.08 1i1x n PHE 288 Ca 0.25 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.31 1i1x n PHE 288 Cb 0.79 -3.14 -0.05 0.00 -0.94 0.00 0.00 39.48 36.14 1i1x n PHE 288 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i1x s ASN 289 N -2.48 6.35 0.41 4.37 -0.87 -1.26 -4.82 114.94 116.63 1i1x s ASN 289 Ca 0.00 0.35 -0.26 0.00 -1.57 0.00 0.00 52.86 51.38 1i1x s ASN 289 Cb 0.00 -1.99 -0.09 0.00 -0.02 0.00 0.00 41.25 39.15 1i1x s ASN 289 CO 0.00 0.27 1.33 -2.16 -2.57 0.00 0.00 177.10 173.97 1i1x s PRO 290 N -1.89 3.96 0.49 -0.60 0.04 -1.26 -1.31 135.00 134.43 1i1x s PRO 290 Ca 0.26 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 1i1x s PRO 290 Cb -0.13 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1i1x s PRO 290 CO 0.18 -0.52 0.74 0.15 0.04 0.00 0.00 177.00 177.59 1i1x s LYS 291 N -2.24 2.99 0.42 4.56 1.02 -0.15 -4.85 119.74 121.49 1i1x s LYS 291 Ca 0.57 -0.39 0.16 0.00 0.02 0.00 0.00 55.97 56.33 1i1x s LYS 291 Cb -0.39 -2.48 1.05 0.00 -0.52 0.00 0.00 37.83 35.49 1i1x s LYS 291 CO 0.51 -0.42 1.90 -1.35 -0.92 0.00 0.00 175.35 175.07 1i1x h PRO 292 N 0.23 0.41 -0.28 -1.68 0.11 -1.93 -0.43 132.00 128.43 1i1x h PRO 292 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1i1x h PRO 292 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1i1x h PRO 292 CO 0.58 0.27 0.02 0.00 -0.21 0.00 0.00 178.00 178.65 1i1x h ALA 293 N 1.63 1.52 -0.01 -0.75 0.00 -1.90 0.40 119.26 120.16 1i1x h ALA 293 Ca 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i1x h ALA 293 Cb 0.94 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1i1x h ALA 293 CO -0.14 0.35 0.00 -0.92 0.00 0.00 0.00 179.25 178.55 1i1x h TYR 294 N 0.40 0.01 -0.23 0.00 5.03 -1.30 -1.79 116.97 119.09 1i1x h TYR 294 Ca 0.09 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 1i1x h TYR 294 Cb 0.24 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1i1x h TYR 294 CO 0.01 0.02 -0.13 -0.91 -1.32 0.00 0.00 178.16 175.82 1i1x h ASN 295 N -0.01 0.37 -0.48 -2.11 2.35 -1.32 -1.48 115.58 112.89 1i1x h ASN 295 Ca 0.00 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1i1x h ASN 295 Cb 0.02 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1i1x h ASN 295 CO -0.00 0.54 0.01 0.00 -1.65 0.00 0.00 177.43 176.33 1i1x h ALA 296 N 1.50 1.02 -0.28 -0.83 0.00 -0.70 -1.23 119.26 118.74 1i1x h ALA 296 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1i1x h ALA 296 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i1x h ALA 296 CO 0.03 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.78 1i1x h ILE 297 N 0.84 1.21 -0.47 0.00 2.04 -0.89 -1.63 117.51 118.62 1i1x h ILE 297 Ca 0.16 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1i1x h ILE 297 Cb 0.48 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1i1x h ILE 297 CO 0.02 0.23 0.01 0.58 0.00 0.00 0.00 178.15 179.00 1i1x h VAL 298 N 0.28 0.65 -0.38 1.67 2.07 -1.07 -1.43 116.25 118.04 1i1x h VAL 298 Ca 0.09 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1i1x h VAL 298 Cb 0.28 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1i1x h VAL 298 CO 0.00 0.02 -0.15 -0.61 0.02 0.00 0.00 177.57 176.85 1i1x h GLN 299 N 0.13 0.69 -0.48 1.57 -0.00 -1.10 -1.63 115.11 114.28 1i1x h GLN 299 Ca 0.23 -0.24 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1i1x h GLN 299 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1i1x h GLN 299 CO -0.37 0.81 0.06 -0.97 0.00 0.00 0.00 178.83 178.35 1i1x h ASN 300 N 0.62 0.72 1.52 -0.69 -1.24 -0.79 -3.03 115.58 112.69 1i1x h ASN 300 Ca 0.10 -0.15 -0.10 0.00 0.71 0.00 0.00 56.30 56.87 1i1x h ASN 300 Cb 0.61 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1i1x h ASN 300 CO 0.04 0.75 -0.48 -0.07 -1.29 0.00 0.00 177.43 176.39 1i1x h LEU 301 N 0.73 0.00 0.00 0.34 3.38 -0.84 -3.51 115.31 115.40 1i1x h LEU 301 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i1x h LEU 301 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i1x h LEU 301 CO 0.01 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.01