#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3y s ARG 2 N 0.00 3.23 -0.27 1.96 3.52 -1.26 -4.34 118.95 121.78 3i3y s ARG 2 Ca 0.00 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.78 3i3y s ARG 2 Cb 0.00 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 3i3y s ARG 2 CO 0.00 0.28 0.26 0.08 -0.81 0.00 0.00 175.30 175.12 3i3y s VAL 3 N 0.17 5.26 -0.22 7.11 1.01 -0.31 -1.98 120.40 131.44 3i3y s VAL 3 Ca -0.07 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3i3y s VAL 3 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3i3y s VAL 3 CO 0.05 0.23 0.12 -0.31 0.00 0.00 0.00 175.10 175.19 3i3y s TYR 4 N 1.75 3.29 -0.20 5.22 1.51 0.96 -0.45 117.35 129.44 3i3y s TYR 4 Ca 0.11 0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 3i3y s TYR 4 Cb -0.16 -2.20 0.02 0.00 -0.11 0.00 0.00 41.96 39.51 3i3y s TYR 4 CO 0.10 0.09 -0.15 0.08 -1.11 0.00 0.00 175.55 174.55 3i3y s VAL 5 N 0.81 2.38 -0.48 0.71 1.01 0.83 -0.69 120.40 124.97 3i3y s VAL 5 Ca 0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3i3y s VAL 5 Cb -0.13 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.32 3i3y s VAL 5 CO 0.02 0.46 0.34 -0.89 0.00 0.00 0.00 175.10 175.03 3i3y s THR 6 N 1.32 4.03 0.00 3.92 2.01 -0.77 -0.59 115.64 125.56 3i3y s THR 6 Ca 0.04 -1.95 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3i3y s THR 6 Cb -0.14 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3i3y s THR 6 CO -0.10 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.66 3i3y n GLY 7 N 4.71 3.89 3.68 4.40 0.00 -1.00 -4.33 105.19 116.55 3i3y n GLY 7 Ca -0.05 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3i3y n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3y s ASN 8 N 1.74 4.05 -0.05 1.61 6.03 -1.26 -4.21 114.94 122.85 3i3y s ASN 8 Ca 0.00 -1.38 -0.03 0.00 -1.03 0.00 0.00 52.86 50.41 3i3y s ASN 8 Cb 0.00 -0.18 0.02 0.00 -3.03 0.00 0.00 41.25 38.07 3i3y s ASN 8 CO 0.00 -0.58 0.12 -0.51 -2.03 0.00 0.00 177.10 174.10 3i3y s ILE 9 N -2.73 -0.02 0.02 0.54 2.07 -1.26 -0.65 121.20 119.17 3i3y s ILE 9 Ca 0.29 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 3i3y s ILE 9 Cb 0.07 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.47 3i3y s ILE 9 CO 0.15 0.03 0.02 0.35 -1.91 0.00 0.00 174.94 173.58 3i3y n THR 10 N 3.47 0.00 -3.90 4.00 -2.24 0.36 -4.27 114.28 111.71 3i3y n THR 10 Ca -0.18 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 3i3y n THR 10 Cb 0.56 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.71 3i3y n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i3y s VAL 11 N -2.04 1.35 0.09 2.28 1.01 -1.19 -0.88 120.40 121.02 3i3y s VAL 11 Ca 0.02 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 3i3y s VAL 11 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 3i3y s VAL 11 CO 0.02 -0.18 0.70 -1.81 0.00 0.00 0.00 175.10 173.83 3i3y s ASP 12 N 1.47 7.22 -0.20 3.32 1.01 0.49 -2.46 116.67 127.52 3i3y s ASP 12 Ca -0.03 1.45 0.01 0.00 0.71 0.00 0.00 52.55 54.68 3i3y s ASP 12 Cb -0.18 -2.44 0.05 0.00 1.01 0.00 0.00 42.92 41.35 3i3y s ASP 12 CO -0.08 0.17 -0.08 -0.70 0.21 0.00 0.00 175.17 174.69 3i3y s GLU 13 N -0.76 1.80 -0.19 8.23 2.12 -0.61 -0.88 118.70 128.41 3i3y s GLU 13 Ca 0.34 -0.80 -0.12 0.00 0.36 0.00 0.00 54.97 54.75 3i3y s GLU 13 Cb -0.21 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 3i3y s GLU 13 CO 0.23 -0.47 0.21 0.99 -0.54 0.00 0.00 175.26 175.68 3i3y s THR 14 N 1.45 5.35 -0.14 -1.70 2.01 0.02 -1.51 115.64 121.12 3i3y s THR 14 Ca -0.02 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 3i3y s THR 14 Cb -0.17 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 3i3y s THR 14 CO -0.08 0.39 -0.06 0.26 -0.69 0.00 0.00 174.62 174.44 3i3y s TRP 15 N 0.57 2.96 -0.25 4.92 0.52 0.43 -1.21 118.94 126.89 3i3y s TRP 15 Ca 0.12 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 3i3y s TRP 15 Cb -0.12 -1.90 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 3i3y s TRP 15 CO 0.02 -0.03 0.21 0.45 0.02 0.00 0.00 176.95 177.62 3i3y s SER 16 N 0.21 6.14 0.14 2.95 0.15 0.14 0.69 113.70 124.12 3i3y s SER 16 Ca -0.04 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.76 3i3y s SER 16 Cb -0.14 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3i3y s SER 16 CO 0.03 0.00 0.01 0.27 1.20 0.00 0.00 173.24 174.76 3i3y s ILE 17 N 1.34 0.45 0.07 6.45 -4.36 0.19 -1.32 121.20 124.03 3i3y s ILE 17 Ca 0.09 -1.94 -0.22 0.00 -0.26 0.00 0.00 60.65 58.32 3i3y s ILE 17 Cb -0.14 -1.99 -0.13 0.00 1.25 0.00 0.00 42.46 41.44 3i3y s ILE 17 CO 0.07 -0.56 1.62 -0.65 0.24 0.00 0.00 174.94 175.66 3i3y h PRO 18 N 2.82 0.12 -2.56 0.37 0.11 -1.86 -1.66 132.00 129.35 3i3y h PRO 18 Ca -0.36 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.80 3i3y h PRO 18 Cb 1.19 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3i3y h PRO 18 CO 0.62 0.23 0.38 0.34 -0.21 0.00 0.00 178.00 179.36 3i3y s ASP 19 N -5.44 -0.43 0.17 -2.05 2.15 -1.26 -2.44 116.67 107.37 3i3y s ASP 19 Ca -0.14 -0.03 -0.30 0.00 0.43 0.00 0.00 52.55 52.51 3i3y s ASP 19 Cb 0.06 0.47 -0.08 0.00 -0.30 0.00 0.00 42.92 43.07 3i3y s ASP 19 CO 0.68 -0.78 1.32 0.27 -0.17 0.00 0.00 175.17 176.49 3i3y s ILE 20 N -3.37 3.30 0.61 4.11 -5.25 -1.26 -4.97 121.20 114.36 3i3y s ILE 20 Ca 0.04 1.02 -0.18 0.00 -0.99 0.00 0.00 60.65 60.54 3i3y s ILE 20 Cb -0.01 -3.65 -0.05 0.00 2.95 0.00 0.00 42.46 41.70 3i3y s ILE 20 CO -0.10 0.13 0.92 -2.65 -1.79 0.00 0.00 174.94 171.46 3i3y n PRO 21 N 3.05 0.82 -4.06 0.37 -0.02 -1.26 -5.02 135.00 128.88 3i3y n PRO 21 Ca 0.08 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.52 3i3y n PRO 21 Cb 0.43 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 3i3y n PRO 21 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i3y s LYS 22 N -2.74 3.27 0.10 -0.52 1.02 -1.26 -5.00 119.74 114.60 3i3y s LYS 22 Ca 0.76 -0.24 -0.36 0.00 0.02 0.00 0.00 55.97 56.15 3i3y s LYS 22 Cb -0.41 -3.04 -0.17 0.00 -0.52 0.00 0.00 37.83 33.68 3i3y s LYS 22 CO 0.47 0.75 1.14 0.36 -0.92 0.00 0.00 175.35 177.14 3i3y n LYS 23 N 1.97 0.72 0.00 1.68 2.85 -1.26 0.10 118.16 124.22 3i3y n LYS 23 Ca -0.19 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 3i3y n LYS 23 Cb 0.54 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 3i3y n LYS 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i3y n GLY 24 N 2.02 2.86 3.83 2.58 0.00 -1.26 -5.05 105.19 110.17 3i3y n GLY 24 Ca 0.18 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3i3y n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y s ALA 25 N -2.77 3.06 -0.06 4.61 0.00 0.11 -5.08 121.76 121.64 3i3y s ALA 25 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.30 3i3y s ALA 25 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3i3y s ALA 25 CO 0.00 -0.02 -0.18 -1.12 0.00 0.00 0.00 175.76 174.44 3i3y s SER 26 N -2.57 2.28 0.20 0.00 0.01 -1.26 -4.75 113.70 107.61 3i3y s SER 26 Ca 0.61 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.48 3i3y s SER 26 Cb -0.09 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 3i3y s SER 26 CO 0.21 0.13 0.09 0.27 0.41 0.00 0.00 173.24 174.35 3i3y s ILE 27 N 0.24 0.25 -0.07 1.44 -4.36 -1.26 -5.11 121.20 112.34 3i3y s ILE 27 Ca -0.09 -1.98 -0.06 0.00 -0.26 0.00 0.00 60.65 58.25 3i3y s ILE 27 Cb -0.14 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 3i3y s ILE 27 CO 0.04 -0.14 0.18 -2.28 0.24 0.00 0.00 174.94 172.98 3i3y s HIS 28 N -3.97 3.59 0.22 1.37 5.65 -1.26 -5.10 115.29 115.79 3i3y s HIS 28 Ca 0.34 0.50 -0.00 0.00 0.25 0.00 0.00 55.06 56.15 3i3y s HIS 28 Cb 0.07 -1.93 -0.04 0.00 -1.18 0.00 0.00 32.58 29.50 3i3y s HIS 28 CO 0.10 0.69 0.13 0.20 -0.65 0.00 0.00 174.74 175.21 3i3y s GLY 29 N -1.38 1.55 -0.04 1.59 0.00 -1.26 -4.52 107.32 103.25 3i3y s GLY 29 Ca 0.20 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 43.17 3i3y s GLY 29 CO 0.10 -1.45 0.00 0.14 0.00 0.00 0.00 173.10 171.89 3i3y s VAL 30 N -4.04 0.25 -0.28 1.40 1.01 -0.43 -4.95 120.40 113.36 3i3y s VAL 30 Ca 0.39 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 3i3y s VAL 30 Cb 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3i3y s VAL 30 CO 0.13 0.19 1.14 -0.54 0.00 0.00 0.00 175.10 176.02 3i3y s LYS 31 N 1.37 4.09 -0.00 2.72 1.02 -1.26 -0.68 119.74 127.00 3i3y s LYS 31 Ca -0.05 1.24 0.10 0.00 0.02 0.00 0.00 55.97 57.28 3i3y s LYS 31 Cb -0.13 -3.75 -0.11 0.00 -0.52 0.00 0.00 37.83 33.31 3i3y s LYS 31 CO -0.02 -0.87 0.41 1.55 -0.92 0.00 0.00 175.35 175.50 3i3y n VAL 32 N 5.77 0.00 -3.59 3.17 3.14 -0.35 -4.98 118.33 121.49 3i3y n VAL 32 Ca 0.13 -0.26 -0.15 0.00 -2.96 0.00 0.00 64.34 61.09 3i3y n VAL 32 Cb 0.46 0.94 -0.07 0.00 -1.06 0.00 0.00 33.84 34.12 3i3y n VAL 32 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3i3y s SER 33 N -2.05 -0.70 -0.07 6.55 1.04 -1.22 -4.99 113.70 112.26 3i3y s SER 33 Ca 0.03 1.14 0.03 0.00 0.48 0.00 0.00 55.95 57.62 3i3y s SER 33 Cb 0.08 1.08 0.01 0.00 0.10 0.00 0.00 66.02 67.28 3i3y s SER 33 CO 0.41 -0.39 -0.14 -1.10 0.98 0.00 0.00 173.24 173.00 3i3y s GLN 34 N -0.26 1.87 0.08 4.02 -1.52 -1.26 -0.80 119.66 121.79 3i3y s GLN 34 Ca -0.04 -0.48 -0.26 0.00 -1.95 0.00 0.00 55.36 52.62 3i3y s GLN 34 Cb -0.03 -1.52 0.08 0.00 -0.22 0.00 0.00 33.01 31.32 3i3y s GLN 34 CO 0.04 0.06 0.77 0.34 -0.25 0.00 0.00 175.29 176.26 3i3y s ASP 35 N 0.57 -0.43 0.18 5.90 -1.08 -0.06 -4.96 116.67 116.79 3i3y s ASP 35 Ca -0.14 -0.05 -0.30 0.00 -0.52 0.00 0.00 52.55 51.54 3i3y s ASP 35 Cb -0.16 0.49 -0.07 0.00 -1.46 0.00 0.00 42.92 41.72 3i3y s ASP 35 CO 0.04 -0.80 1.07 -0.63 0.52 0.00 0.00 175.17 175.37 3i3y s ILE 36 N -3.41 3.95 0.00 4.11 -1.09 -1.26 0.18 121.20 123.69 3i3y s ILE 36 Ca 0.04 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 3i3y s ILE 36 Cb -0.01 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3i3y s ILE 36 CO -0.09 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 3i3y n GLY 37 N 2.01 4.03 0.00 6.18 0.00 -0.06 -2.01 105.19 115.34 3i3y n GLY 37 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i3y n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3y n GLY 38 N 0.00 2.69 0.15 -0.02 0.00 -1.26 -0.48 105.19 106.26 3i3y n GLY 38 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 3i3y n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3y h LYS 39 N 0.00 0.20 0.04 1.61 6.56 -1.95 -0.18 116.57 122.85 3i3y h LYS 39 Ca 0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3i3y h LYS 39 Cb 0.00 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 3i3y h LYS 39 CO 0.00 0.13 -0.02 0.78 -2.06 0.00 0.00 179.45 178.28 3i3y h GLY 40 N 0.20 -0.05 0.87 3.86 0.00 -1.84 -3.00 103.07 103.11 3i3y h GLY 40 Ca 0.16 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.52 3i3y h GLY 40 CO -0.20 -0.02 0.02 0.00 0.00 0.00 0.00 176.54 176.34 3i3y h ALA 41 N 0.67 0.11 -0.25 3.60 0.00 -0.76 -1.96 119.26 120.67 3i3y h ALA 41 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3i3y h ALA 41 Cb 0.26 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3i3y h ALA 41 CO 0.01 -0.43 -0.05 -0.91 0.00 0.00 0.00 179.25 177.86 3i3y h ASN 42 N 0.07 -0.22 -0.36 0.00 2.35 -1.08 -0.54 115.58 115.81 3i3y h ASN 42 Ca 0.05 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 3i3y h ASN 42 Cb 0.04 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3i3y h ASN 42 CO -0.07 -0.07 -0.20 1.56 -1.65 0.00 0.00 177.43 176.99 3i3y h GLN 43 N 0.01 0.84 -0.11 0.81 4.20 -1.48 -2.22 115.11 117.16 3i3y h GLN 43 Ca 0.12 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3i3y h GLN 43 Cb 0.18 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3i3y h GLN 43 CO -0.25 0.97 0.01 0.00 -0.67 0.00 0.00 178.83 178.89 3i3y h ALA 44 N 1.03 0.15 -0.22 3.87 0.00 -1.06 -1.66 119.26 121.37 3i3y h ALA 44 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i3y h ALA 44 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i3y h ALA 44 CO 0.06 -0.18 0.14 0.82 0.00 0.00 0.00 179.25 180.09 3i3y h ILE 45 N -0.06 1.07 -0.77 0.00 2.04 -1.11 -0.60 117.51 118.08 3i3y h ILE 45 Ca 0.03 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3i3y h ILE 45 Cb 0.32 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3i3y h ILE 45 CO 0.00 0.07 0.31 0.40 0.00 0.00 0.00 178.15 178.94 3i3y h ILE 46 N 0.29 1.26 -0.03 -0.67 2.04 -1.41 0.06 117.51 119.05 3i3y h ILE 46 Ca 0.08 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.16 3i3y h ILE 46 Cb -0.01 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3i3y h ILE 46 CO -0.02 0.33 -0.12 -0.07 0.00 0.00 0.00 178.15 178.28 3i3y h LEU 47 N 1.12 -0.34 -1.18 1.44 4.07 -0.92 -2.03 115.31 117.46 3i3y h LEU 47 Ca 0.26 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 3i3y h LEU 47 Cb 0.21 0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 3i3y h LEU 47 CO -0.02 -0.16 0.34 0.77 -1.08 0.00 0.00 178.44 178.29 3i3y h SER 48 N -0.19 0.81 0.56 -0.43 4.64 -0.74 -0.14 113.55 118.07 3i3y h SER 48 Ca 0.05 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3i3y h SER 48 Cb 0.25 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3i3y h SER 48 CO -0.14 0.67 0.00 0.54 -0.87 0.00 0.00 176.83 177.03 3i3y n ARG 49 N -4.37 0.02 0.00 4.77 1.74 -0.03 -1.38 116.66 117.42 3i3y n ARG 49 Ca 0.06 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 3i3y n ARG 49 Cb 0.11 -1.54 0.29 0.00 -1.02 0.00 0.00 32.46 30.31 3i3y n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3y n GLY 51 N 1.32 0.28 3.71 0.00 0.00 -0.48 -4.95 105.19 105.07 3i3y n GLY 51 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i3y n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3y s ILE 52 N -2.02 4.52 -0.04 -0.61 -1.09 -1.11 -4.95 121.20 115.89 3i3y s ILE 52 Ca 0.00 1.81 -0.33 0.00 -2.23 0.00 0.00 60.65 59.90 3i3y s ILE 52 Cb 0.00 -4.16 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 3i3y s ILE 52 CO 0.00 0.11 1.90 1.21 -1.23 0.00 0.00 174.94 176.94 3i3y n GLU 53 N 4.14 2.41 -4.06 2.79 2.13 -1.26 -4.05 120.64 122.74 3i3y n GLU 53 Ca 0.08 0.88 -0.13 0.00 0.66 0.00 0.00 57.16 58.65 3i3y n GLU 53 Cb 0.49 -2.76 -0.13 0.00 0.27 0.00 0.00 31.44 29.30 3i3y n GLU 53 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3i3y s THR 54 N 4.08 0.34 -0.06 6.31 2.01 -1.26 -1.16 115.64 125.90 3i3y s THR 54 Ca 0.91 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.40 3i3y s THR 54 Cb -0.61 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3i3y s THR 54 CO 0.48 -0.12 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.12 3i3y s ARG 55 N -0.68 0.84 -0.24 4.92 0.52 0.41 -4.77 118.95 119.95 3i3y s ARG 55 Ca -0.04 -0.07 -0.08 0.00 -0.52 0.00 0.00 55.73 55.02 3i3y s ARG 55 Cb -0.05 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 3i3y s ARG 55 CO -0.00 -0.14 0.09 -1.17 0.02 0.00 0.00 175.30 174.09 3i3y s LEU 56 N 1.22 3.59 -0.36 2.53 2.96 -1.26 -0.12 118.68 127.25 3i3y s LEU 56 Ca -0.06 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3i3y s LEU 56 Cb -0.14 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.65 3i3y s LEU 56 CO -0.02 0.00 0.14 -0.63 -1.32 0.00 0.00 176.35 174.53 3i3y s ILE 57 N 1.41 3.80 0.10 6.68 1.01 0.24 -0.49 121.20 133.95 3i3y s ILE 57 Ca 0.06 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.21 3i3y s ILE 57 Cb -0.15 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.14 3i3y s ILE 57 CO 0.04 -0.29 0.52 0.00 0.00 0.00 0.00 174.94 175.21 3i3y s ALA 58 N 1.38 -1.32 -0.11 9.38 0.00 -0.82 -2.37 121.76 127.90 3i3y s ALA 58 Ca 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 3i3y s ALA 58 Cb -0.21 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3i3y s ALA 58 CO 0.02 -0.61 0.13 0.00 0.00 0.00 0.00 175.76 175.29 3i3y s ALA 59 N -3.14 3.83 0.19 0.00 0.00 -1.26 -4.23 121.76 117.14 3i3y s ALA 59 Ca -0.02 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.39 3i3y s ALA 59 Cb -0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3i3y s ALA 59 CO -0.07 0.62 -0.23 0.95 0.00 0.00 0.00 175.76 177.03 3i3y s THR 60 N -1.03 2.25 0.54 0.00 -4.23 -1.26 -4.59 115.64 107.33 3i3y s THR 60 Ca 0.15 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3i3y s THR 60 Cb -0.12 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.72 3i3y s THR 60 CO 0.04 -0.15 0.73 -0.83 -0.54 0.00 0.00 174.62 173.88 3i3y s GLY 61 N -2.65 1.80 -0.33 3.99 0.00 -1.26 -1.46 107.32 107.41 3i3y s GLY 61 Ca 0.20 -2.02 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 3i3y s GLY 61 CO 0.09 -1.66 2.56 1.16 0.00 0.00 0.00 173.10 175.25 3i3y n ASN 62 N -2.14 6.29 -4.95 1.64 6.94 0.10 -4.25 115.26 118.88 3i3y n ASN 62 Ca 0.13 -3.04 -0.23 0.00 -0.02 0.00 0.00 54.58 51.43 3i3y n ASN 62 Cb 0.61 -1.19 0.02 0.00 -2.36 0.00 0.00 39.78 36.86 3i3y n ASN 62 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3i3y s ASP 63 N 0.54 5.75 0.28 0.53 1.11 -1.26 -4.94 116.67 118.68 3i3y s ASP 63 Ca 0.47 0.29 0.14 0.00 0.18 0.00 0.00 52.55 53.63 3i3y s ASP 63 Cb 0.31 -1.48 0.26 0.00 1.07 0.00 0.00 42.92 43.08 3i3y s ASP 63 CO -0.11 -0.78 1.53 0.77 1.18 0.00 0.00 175.17 177.76 3i3y h SER 64 N 0.31 0.00 -0.19 0.27 4.64 -1.99 -1.46 113.55 115.13 3i3y h SER 64 Ca -0.46 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 3i3y h SER 64 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3i3y h SER 64 CO 0.57 0.58 -0.28 0.78 -0.87 0.00 0.00 176.83 177.61 3i3y h ASN 65 N 0.00 0.69 -0.37 4.97 2.35 -1.94 -1.64 115.58 119.65 3i3y h ASN 65 Ca -0.01 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.52 3i3y h ASN 65 Cb 1.26 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 3i3y h ASN 65 CO 0.08 0.94 0.15 1.23 -1.65 0.00 0.00 177.43 178.18 3i3y h GLY 66 N 0.99 0.49 1.06 2.83 0.00 -1.47 0.22 103.07 107.20 3i3y h GLY 66 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3i3y h GLY 66 CO 0.06 0.06 0.08 0.00 0.00 0.00 0.00 176.54 176.74 3i3y h ALA 67 N 1.22 0.85 -0.08 3.60 0.00 -1.25 -1.52 119.26 122.08 3i3y h ALA 67 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i3y h ALA 67 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i3y h ALA 67 CO -0.15 0.63 0.01 2.35 0.00 0.00 0.00 179.25 182.09 3i3y h TRP 68 N 0.98 0.02 0.32 0.00 7.01 -0.46 -0.63 115.95 123.20 3i3y h TRP 68 Ca 0.19 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3i3y h TRP 68 Cb 0.47 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3i3y h TRP 68 CO 0.03 0.00 -0.19 0.82 -2.79 0.00 0.00 178.44 176.32 3i3y h ILE 69 N 0.04 0.60 -0.78 2.65 2.04 -0.45 -1.78 117.51 119.84 3i3y h ILE 69 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3i3y h ILE 69 Cb 0.03 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3i3y h ILE 69 CO -0.05 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.64 3i3y h ARG 70 N -0.49 0.95 -0.57 2.37 3.08 -1.21 -0.92 114.38 117.58 3i3y h ARG 70 Ca -0.04 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 3i3y h ARG 70 Cb 0.40 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3i3y h ARG 70 CO 0.04 0.63 -0.05 0.37 -1.07 0.00 0.00 179.97 179.89 3i3y h GLN 71 N 0.97 1.04 -0.03 0.04 4.15 -0.90 -2.59 115.11 117.79 3i3y h GLN 71 Ca 0.30 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3i3y h GLN 71 Cb 0.01 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 3i3y h GLN 71 CO -0.08 1.05 -0.01 1.96 -1.93 0.00 0.00 178.83 179.81 3i3y h GLN 72 N 0.92 0.06 -0.26 1.69 7.50 -0.83 -2.96 115.11 121.23 3i3y h GLN 72 Ca 0.16 -0.03 0.08 0.00 0.50 0.00 0.00 58.65 59.36 3i3y h GLN 72 Cb 0.61 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 3i3y h GLN 72 CO 0.04 0.47 0.28 0.82 -1.50 0.00 0.00 178.83 178.93 3i3y h ILE 73 N -0.35 0.47 0.00 2.54 1.08 -1.16 0.90 117.51 121.00 3i3y h ILE 73 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3i3y h ILE 73 Cb 0.45 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3i3y h ILE 73 CO 0.00 0.00 -0.10 0.50 -0.69 0.00 0.00 178.15 177.86 3i3y h LYS 74 N 0.00 0.00 -0.05 2.37 3.64 -1.28 -1.75 116.57 119.50 3i3y h LYS 74 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3i3y h LYS 74 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3i3y h LYS 74 CO -0.00 0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.37 3i3y n ASN 75 N -3.62 1.48 -4.87 4.20 3.02 0.31 -4.90 115.26 110.88 3i3y n ASN 75 Ca -0.02 -1.53 -0.32 0.00 -0.03 0.00 0.00 54.58 52.69 3i3y n ASN 75 Cb 0.22 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 3i3y n ASN 75 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i3y s GLU 76 N -1.96 3.28 0.00 3.52 0.41 -0.66 -4.98 118.70 118.31 3i3y s GLU 76 Ca 0.37 -0.45 -0.00 0.00 -0.41 0.00 0.00 54.97 54.47 3i3y s GLU 76 Cb 0.20 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.56 3i3y s GLU 76 CO 0.32 0.63 1.84 -0.35 -0.49 0.00 0.00 175.26 177.21 3i3y n PRO 77 N 0.68 0.93 0.00 0.39 -0.04 -1.26 -5.03 135.00 130.66 3i3y n PRO 77 Ca -0.09 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3i3y n PRO 77 Cb 0.52 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3i3y n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i3y n LEU 78 N 1.67 0.00 -3.53 1.53 7.94 -1.26 -4.75 117.00 118.60 3i3y n LEU 78 Ca 0.03 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3i3y n LEU 78 Cb 0.46 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.36 3i3y n LEU 78 CO 0.01 0.00 0.66 -0.22 -1.11 0.00 0.00 177.39 176.74 3i3y s LEU 80 N 0.00 -0.51 0.03 -1.96 2.96 -1.26 -4.94 118.68 112.99 3i3y s LEU 80 Ca 0.00 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3i3y s LEU 80 Cb 0.00 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.33 3i3y s LEU 80 CO 0.00 -0.11 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.96 3i3y s LEU 81 N 1.85 2.14 0.99 -0.68 1.43 0.35 -4.33 118.68 120.43 3i3y s LEU 81 Ca -0.06 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 3i3y s LEU 81 Cb -0.05 -0.92 0.20 0.00 0.03 0.00 0.00 46.19 45.45 3i3y s LEU 81 CO -0.16 0.16 1.25 -2.16 0.23 0.00 0.00 176.35 175.67 3i3y s PRO 82 N -1.03 0.46 0.01 1.29 0.04 -1.26 -1.94 135.00 132.58 3i3y s PRO 82 Ca 0.07 -0.23 -0.20 0.00 0.04 0.00 0.00 61.00 60.68 3i3y s PRO 82 Cb -0.08 -1.81 -0.20 0.00 0.04 0.00 0.00 34.50 32.45 3i3y s PRO 82 CO 0.01 -2.56 1.17 -0.44 0.04 0.00 0.00 177.00 175.22 3i3y h ASP 83 N -1.75 0.49 -4.06 6.66 3.32 -1.98 -3.46 116.42 115.64 3i3y h ASP 83 Ca -0.45 -0.68 -0.46 0.00 0.02 0.00 0.00 57.03 55.46 3i3y h ASP 83 Cb 1.26 -0.15 0.14 0.00 0.22 0.00 0.00 39.33 40.81 3i3y h ASP 83 CO 0.42 1.10 0.25 -0.83 -1.72 0.00 0.00 179.24 178.46 3i3y s GLY 84 N -3.90 1.57 0.49 2.75 0.00 -1.26 -5.09 107.32 101.87 3i3y s GLY 84 Ca -0.14 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.15 3i3y s GLY 84 CO 0.80 0.14 0.13 -2.39 0.00 0.00 0.00 173.10 171.77 3i3y n HIS 85 N -3.97 0.52 -4.37 1.90 1.44 -1.26 -4.80 115.22 104.67 3i3y n HIS 85 Ca 0.06 -2.29 -0.25 0.00 -2.01 0.00 0.00 57.72 53.22 3i3y n HIS 85 Cb 0.58 -0.35 -0.12 0.00 0.12 0.00 0.00 29.99 30.22 3i3y n HIS 85 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3i3y s PHE 86 N -2.66 2.09 -0.86 -1.40 0.40 -0.53 -4.95 117.98 110.07 3i3y s PHE 86 Ca 0.10 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.82 3i3y s PHE 86 Cb -0.01 -1.07 0.10 0.00 0.51 0.00 0.00 43.02 42.55 3i3y s PHE 86 CO 0.06 0.37 1.12 0.54 0.70 0.00 0.00 175.22 178.01 3i3y s ASN 87 N -2.40 6.48 0.19 1.36 6.03 -1.26 -0.72 114.94 124.61 3i3y s ASN 87 Ca 0.15 -1.66 -0.23 0.00 -1.03 0.00 0.00 52.86 50.10 3i3y s ASN 87 Cb -0.08 -2.43 0.05 0.00 -3.03 0.00 0.00 41.25 35.76 3i3y s ASN 87 CO 0.07 -1.23 0.72 -1.10 -2.03 0.00 0.00 177.10 173.53 3i3y s GLN 88 N 3.39 1.42 0.25 3.55 -1.52 -1.26 -4.94 119.66 120.55 3i3y s GLN 88 Ca 0.31 -0.68 -0.26 0.00 -1.95 0.00 0.00 55.36 52.78 3i3y s GLN 88 Cb -0.08 0.55 -0.09 0.00 -0.22 0.00 0.00 33.01 33.18 3i3y s GLN 88 CO -0.04 -0.64 0.88 -1.01 -0.25 0.00 0.00 175.29 174.23 3i3y s HIS 89 N -3.70 3.82 0.34 0.91 3.76 -1.26 -2.68 115.29 116.48 3i3y s HIS 89 Ca 0.07 1.74 -0.29 0.00 -0.15 0.00 0.00 55.06 56.43 3i3y s HIS 89 Cb -0.03 -2.87 -0.11 0.00 1.11 0.00 0.00 32.58 30.69 3i3y s HIS 89 CO -0.03 0.36 1.38 -1.12 -0.85 0.00 0.00 174.74 174.48 3i3y s SER 90 N -1.40 6.61 0.56 1.40 0.01 -1.26 -3.89 113.70 115.74 3i3y s SER 90 Ca 0.44 2.81 -0.20 0.00 1.31 0.00 0.00 55.95 60.31 3i3y s SER 90 Cb -0.21 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.30 3i3y s SER 90 CO 0.26 -0.66 1.05 0.47 0.41 0.00 0.00 173.24 174.77 3i3y n ASP 91 N 0.79 1.22 -4.11 2.44 8.00 -1.26 -4.93 116.55 118.71 3i3y n ASP 91 Ca 0.01 0.88 -0.09 0.00 0.71 0.00 0.00 54.79 56.29 3i3y n ASP 91 Cb 0.41 -1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 39.99 3i3y n ASP 91 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i3y s THR 92 N -1.43 0.11 0.02 -3.53 -4.23 -1.26 -3.19 115.64 102.13 3i3y s THR 92 Ca 0.73 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 3i3y s THR 92 Cb -0.44 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 3i3y s THR 92 CO 0.49 -0.50 -0.11 -0.44 -0.54 0.00 0.00 174.62 173.51 3i3y s SER 93 N -3.02 1.33 -0.22 3.99 0.01 -1.03 -1.93 113.70 112.83 3i3y s SER 93 Ca 0.21 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 3i3y s SER 93 Cb 0.07 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 3i3y s SER 93 CO 0.00 0.05 -0.00 -0.63 0.41 0.00 0.00 173.24 173.07 3i3y s ILE 94 N -0.59 3.79 -0.33 1.44 -1.09 0.32 -1.57 121.20 123.17 3i3y s ILE 94 Ca 0.02 -0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 3i3y s ILE 94 Cb -0.06 -2.73 0.05 0.00 -1.58 0.00 0.00 42.46 38.13 3i3y s ILE 94 CO 0.00 0.40 0.06 -0.63 -1.23 0.00 0.00 174.94 173.55 3i3y s ILE 95 N 1.36 3.37 -0.48 2.92 1.01 -0.57 -0.76 121.20 128.04 3i3y s ILE 95 Ca 0.04 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 3i3y s ILE 95 Cb -0.15 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.40 3i3y s ILE 95 CO 0.00 -0.18 0.90 -0.76 0.00 0.00 0.00 174.94 174.90 3i3y s LEU 96 N 1.31 4.09 -0.46 2.97 2.01 0.12 -0.43 118.68 128.30 3i3y s LEU 96 Ca -0.03 -0.07 -0.11 0.00 0.01 0.00 0.00 54.13 53.94 3i3y s LEU 96 Cb -0.20 -3.04 0.10 0.00 0.01 0.00 0.00 46.19 43.06 3i3y s LEU 96 CO 0.00 -1.07 0.33 0.21 1.01 0.00 0.00 176.35 176.84 3i3y s ASN 97 N 2.40 5.80 0.36 2.29 2.47 0.22 -2.26 114.94 126.21 3i3y s ASN 97 Ca 0.34 -1.64 0.01 0.00 0.42 0.00 0.00 52.86 51.98 3i3y s ASN 97 Cb -0.11 -2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 37.61 3i3y s ASN 97 CO 0.24 -0.64 0.56 -0.94 -3.72 0.00 0.00 177.10 172.60 3i3y s SER 98 N 2.53 6.23 0.42 -4.21 1.04 -1.25 -0.64 113.70 117.82 3i3y s SER 98 Ca 0.04 0.42 0.12 0.00 0.48 0.00 0.00 55.95 57.01 3i3y s SER 98 Cb -0.25 -1.96 0.97 0.00 0.10 0.00 0.00 66.02 64.89 3i3y s SER 98 CO 0.02 -0.35 1.96 0.00 0.98 0.00 0.00 173.24 175.85 3i3y h ALA 99 N 0.71 1.96 -3.00 5.32 0.00 -0.95 -3.42 119.26 119.87 3i3y h ALA 99 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i3y h ALA 99 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i3y h ALA 99 CO 0.61 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 3i3y n ASP 100 N -4.48 0.00 -1.92 0.00 8.00 -1.26 -5.07 116.55 111.83 3i3y n ASP 100 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3i3y n ASP 100 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3i3y n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3y n GLY 101 N 4.73 -1.25 3.87 0.44 0.00 -1.26 -4.97 105.19 106.75 3i3y n GLY 101 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3i3y n GLY 101 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3y s ASP 102 N -2.63 6.35 0.84 1.61 1.47 -1.26 -4.70 116.67 118.36 3i3y s ASP 102 Ca 0.00 1.36 -0.13 0.00 1.18 0.00 0.00 52.55 54.96 3i3y s ASP 102 Cb 0.00 -2.43 0.06 0.00 -0.34 0.00 0.00 42.92 40.20 3i3y s ASP 102 CO 0.00 -0.72 0.88 0.59 0.68 0.00 0.00 175.17 176.61 3i3y n ASN 103 N -2.27 -0.20 -4.16 2.11 3.02 -1.26 -4.87 115.26 107.64 3i3y n ASN 103 Ca 0.05 0.51 -0.26 0.00 -0.03 0.00 0.00 54.58 54.85 3i3y n ASN 103 Cb 0.54 -1.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.17 3i3y n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i3y s ALA 104 N -2.21 1.55 0.04 5.41 0.00 -0.96 -4.99 121.76 120.60 3i3y s ALA 104 Ca 0.67 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3i3y s ALA 104 Cb -0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3i3y s ALA 104 CO 0.57 0.32 -0.15 0.96 0.00 0.00 0.00 175.76 177.46 3i3y s ILE 105 N -0.14 1.17 -0.11 0.00 -5.25 -1.26 0.15 121.20 115.76 3i3y s ILE 105 Ca 0.00 -1.01 0.01 0.00 -0.99 0.00 0.00 60.65 58.66 3i3y s ILE 105 Cb -0.10 -1.06 0.02 0.00 2.95 0.00 0.00 42.46 44.27 3i3y s ILE 105 CO 0.01 0.04 -0.13 -0.63 -1.79 0.00 0.00 174.94 172.44 3i3y s ILE 106 N -0.83 1.35 -0.05 8.37 1.01 0.06 -4.97 121.20 126.14 3i3y s ILE 106 Ca 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.19 3i3y s ILE 106 Cb -0.08 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 3i3y s ILE 106 CO 0.01 0.42 -0.19 -0.89 0.00 0.00 0.00 174.94 174.29 3i3y s THR 107 N 1.25 1.57 0.74 2.92 2.01 -1.26 -0.52 115.64 122.36 3i3y s THR 107 Ca -0.02 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 3i3y s THR 107 Cb -0.14 -1.35 0.05 0.00 0.01 0.00 0.00 72.50 71.07 3i3y s THR 107 CO -0.05 0.45 1.10 0.42 -0.69 0.00 0.00 174.62 175.85 3i3y s THR 108 N 0.05 2.55 0.00 -0.82 -4.23 -0.81 -5.01 115.64 107.37 3i3y s THR 108 Ca -0.05 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3i3y s THR 108 Cb -0.13 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3i3y s THR 108 CO 0.03 -0.19 0.60 0.35 -0.54 0.00 0.00 174.62 174.87 3i3y n THR 109 N -3.10 0.00 -0.15 3.99 -2.24 -1.26 -4.52 114.28 107.00 3i3y n THR 109 Ca 0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 3i3y n THR 109 Cb 0.60 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 3i3y n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3y h ALA 110 N 0.00 0.10 0.20 6.98 0.00 -1.96 0.45 119.26 125.04 3i3y h ALA 110 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i3y h ALA 110 Cb 1.13 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3i3y h ALA 110 CO 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 179.25 178.57 3i3y h ALA 111 N 1.16 -0.27 -1.00 0.00 0.00 -1.92 -2.79 119.26 114.43 3i3y h ALA 111 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3i3y h ALA 111 Cb 0.48 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3i3y h ALA 111 CO -0.57 -0.55 0.65 0.00 0.00 0.00 0.00 179.25 178.78 3i3y h ALA 112 N 0.28 1.42 -0.63 0.00 0.00 -1.76 -2.55 119.26 116.02 3i3y h ALA 112 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i3y h ALA 112 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i3y h ALA 112 CO 0.05 0.42 0.17 -0.44 0.00 0.00 0.00 179.25 179.44 3i3y h ASP 113 N 1.15 0.92 -0.23 0.00 3.32 -0.86 -2.68 116.42 118.05 3i3y h ASP 113 Ca 0.44 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3i3y h ASP 113 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3i3y h ASP 113 CO -0.18 0.89 -0.04 0.74 -1.72 0.00 0.00 179.24 178.93 3i3y h THR 114 N 0.94 1.21 -0.59 0.35 2.02 -1.18 -3.37 112.91 112.30 3i3y h THR 114 Ca 0.20 -0.89 -0.31 0.00 0.77 0.00 0.00 66.41 66.19 3i3y h THR 114 Cb 0.32 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3i3y h THR 114 CO -0.00 0.30 0.88 0.12 0.37 0.00 0.00 175.52 177.19 3i3y s PHE 115 N -4.90 1.86 0.92 3.16 2.19 -1.01 -4.92 117.98 115.27 3i3y s PHE 115 Ca -0.08 0.58 -0.11 0.00 0.33 0.00 0.00 56.93 57.66 3i3y s PHE 115 Cb 0.15 -4.01 0.15 0.00 -1.31 0.00 0.00 43.02 38.00 3i3y s PHE 115 CO 0.78 -1.48 1.12 -1.54 1.83 0.00 0.00 175.22 175.92 3i3y s SER 116 N 7.34 3.01 0.36 6.13 1.04 -1.26 -4.93 113.70 125.39 3i3y s SER 116 Ca 0.70 1.97 0.05 0.00 0.48 0.00 0.00 55.95 59.14 3i3y s SER 116 Cb -0.04 -2.49 0.67 0.00 0.10 0.00 0.00 66.02 64.26 3i3y s SER 116 CO 0.06 -3.01 1.93 0.25 0.98 0.00 0.00 173.24 173.45 3i3y h LEU 117 N -1.80 0.49 -1.09 2.42 5.85 -1.93 -2.46 115.31 116.79 3i3y h LEU 117 Ca -0.46 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.13 3i3y h LEU 117 Cb 1.27 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3i3y h LEU 117 CO 0.46 0.50 -0.05 0.44 -0.34 0.00 0.00 178.44 179.45 3i3y h ASP 118 N 0.53 0.56 -0.07 1.25 3.45 -1.99 -2.19 116.42 117.96 3i3y h ASP 118 Ca 0.12 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 3i3y h ASP 118 Cb 0.21 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 3i3y h ASP 118 CO -0.00 0.66 0.05 -0.62 -1.57 0.00 0.00 179.24 177.76 3i3y n GLU 119 N -4.23 1.10 0.00 3.56 1.02 -0.93 -4.33 120.64 116.83 3i3y n GLU 119 Ca 0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3i3y n GLU 119 Cb 0.29 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3i3y n GLU 119 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3i3y n ILE 121 N 0.37 0.00 0.20 -3.67 -5.35 -0.82 -4.53 119.36 105.55 3i3y n ILE 121 Ca 0.04 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.70 3i3y n ILE 121 Cb 0.58 0.00 0.83 0.00 -1.74 0.00 0.00 39.64 39.31 3i3y n ILE 121 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3i3y h PRO 122 N 0.00 0.00 -2.01 6.28 0.11 -1.84 -2.77 132.00 131.77 3i3y h PRO 122 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3i3y h PRO 122 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3i3y h PRO 122 CO 0.00 0.00 -0.09 0.72 -0.21 0.00 0.00 178.00 178.42 3i3y n HIS 123 N -3.75 0.00 0.00 0.65 8.25 -1.26 -4.70 115.22 114.41 3i3y n HIS 123 Ca 0.02 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 3i3y n HIS 123 Cb 0.35 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3i3y n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i3y n ALA 125 N 1.77 0.00 0.58 -1.41 0.00 -1.05 -4.93 120.51 115.47 3i3y n ALA 125 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3i3y n ALA 125 Cb 0.58 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.20 3i3y n ALA 125 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3y n ASP 126 N 0.48 2.40 -4.81 0.00 5.75 -1.26 -4.93 116.55 114.17 3i3y n ASP 126 Ca 0.00 -2.18 -0.33 0.00 -0.01 0.00 0.00 54.79 52.27 3i3y n ASP 126 Cb 0.00 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 3i3y n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3y s ALA 127 N -1.65 2.93 0.20 2.12 0.00 -1.26 -5.08 121.76 119.02 3i3y s ALA 127 Ca 0.24 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.68 3i3y s ALA 127 Cb 0.15 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3i3y s ALA 127 CO 0.12 -0.27 -0.11 0.14 0.00 0.00 0.00 175.76 175.65 3i3y s VAL 128 N -2.26 1.49 0.30 0.00 -7.23 -1.26 -5.07 120.40 106.37 3i3y s VAL 128 Ca 0.63 -2.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 3i3y s VAL 128 Cb -0.13 -2.07 -0.13 0.00 0.56 0.00 0.00 36.38 34.61 3i3y s VAL 128 CO 0.24 -0.57 1.13 0.00 -0.31 0.00 0.00 175.10 175.58 3i3y n ALA 129 N -0.36 0.33 0.00 1.32 0.00 -1.24 -0.93 120.51 119.63 3i3y n ALA 129 Ca -0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3i3y n ALA 129 Cb 0.61 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3i3y n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3y n GLY 130 N 1.16 3.20 3.73 0.00 0.00 -0.71 -5.04 105.19 107.52 3i3y n GLY 130 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3i3y n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3y s ASP 131 N -0.20 3.81 0.01 1.61 1.01 -0.11 -4.54 116.67 118.27 3i3y s ASP 131 Ca 0.00 1.98 0.04 0.00 0.71 0.00 0.00 52.55 55.28 3i3y s ASP 131 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3i3y s ASP 131 CO 0.00 -2.50 -0.10 -0.63 0.21 0.00 0.00 175.17 172.15 3i3y s ILE 132 N -2.79 3.41 -0.21 0.77 1.01 -0.84 -0.66 121.20 121.89 3i3y s ILE 132 Ca 0.64 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3i3y s ILE 132 Cb -0.20 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3i3y s ILE 132 CO 0.57 0.40 -0.10 -0.22 0.00 0.00 0.00 174.94 175.58 3i3y s LEU 133 N -1.36 2.69 -0.16 2.97 2.96 0.07 -0.03 118.68 125.82 3i3y s LEU 133 Ca 0.16 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3i3y s LEU 133 Cb -0.11 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3i3y s LEU 133 CO 0.06 -0.04 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.73 3i3y s LEU 134 N 1.37 2.74 0.14 -0.68 2.96 0.13 -1.56 118.68 123.78 3i3y s LEU 134 Ca 0.04 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3i3y s LEU 134 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3i3y s LEU 134 CO -0.07 0.10 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.83 3i3y s GLN 135 N 0.74 1.08 0.00 1.98 -0.21 -0.99 -1.85 119.66 120.41 3i3y s GLN 135 Ca -0.05 -1.35 0.00 0.00 0.02 0.00 0.00 55.36 53.98 3i3y s GLN 135 Cb -0.15 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.00 3i3y s GLN 135 CO 0.02 0.15 0.00 1.04 -2.12 0.00 0.00 175.29 174.37 3i3y n GLN 136 N 0.19 3.94 -1.64 2.91 3.00 -1.26 -1.89 117.38 122.62 3i3y n GLN 136 Ca -0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.56 3i3y n GLN 136 Cb 0.59 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.88 3i3y n GLN 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i3y n GLY 137 N 5.00 6.09 0.06 1.08 0.00 0.03 -4.60 105.19 112.85 3i3y n GLY 137 Ca 0.00 -2.47 0.12 0.00 0.00 0.00 0.00 46.02 43.68 3i3y n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3y n ASN 138 N -0.82 0.64 -4.82 1.61 3.02 -1.26 -3.75 115.26 109.88 3i3y n ASN 138 Ca 0.55 0.20 -0.22 0.00 -0.03 0.00 0.00 54.58 55.08 3i3y n ASN 138 Cb 0.78 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.81 3i3y n ASN 138 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3y s PHE 139 N -3.12 2.76 0.81 3.10 0.08 -1.26 -4.96 117.98 115.39 3i3y s PHE 139 Ca 0.08 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 3i3y s PHE 139 Cb 0.14 -1.93 0.08 0.00 -0.57 0.00 0.00 43.02 40.74 3i3y s PHE 139 CO 0.68 0.10 1.09 -1.54 -0.10 0.00 0.00 175.22 175.45 3i3y s SER 140 N -4.01 4.17 0.23 1.36 1.04 -1.26 -4.71 113.70 110.52 3i3y s SER 140 Ca 0.43 1.74 -0.06 0.00 0.48 0.00 0.00 55.95 58.54 3i3y s SER 140 Cb -0.03 -2.43 0.36 0.00 0.10 0.00 0.00 66.02 64.02 3i3y s SER 140 CO 0.26 -2.23 1.78 0.25 0.98 0.00 0.00 173.24 174.27 3i3y h LEU 141 N -1.27 0.47 -0.38 2.42 5.85 -1.98 0.11 115.31 120.54 3i3y h LEU 141 Ca -0.45 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3i3y h LEU 141 Cb 1.25 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3i3y h LEU 141 CO 0.52 0.26 0.04 0.44 -0.34 0.00 0.00 178.44 179.36 3i3y h ASP 142 N 0.61 0.62 -0.16 1.25 5.19 -1.98 0.15 116.42 122.10 3i3y h ASP 142 Ca 0.36 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 3i3y h ASP 142 Cb 0.40 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 3i3y h ASP 142 CO -0.28 0.74 -0.14 0.50 -3.12 0.00 0.00 179.24 176.94 3i3y h LYS 143 N 0.48 0.38 -0.28 3.56 3.64 -1.85 -1.12 116.57 121.38 3i3y h LYS 143 Ca 0.11 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3i3y h LYS 143 Cb 0.40 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3i3y h LYS 143 CO 0.01 0.74 -0.02 1.15 -2.27 0.00 0.00 179.45 179.07 3i3y h THR 144 N 0.03 0.78 -0.43 1.00 2.02 -0.72 -1.56 112.91 114.02 3i3y h THR 144 Ca 0.03 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3i3y h THR 144 Cb 0.66 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3i3y h THR 144 CO 0.04 0.01 -0.03 -0.09 0.37 0.00 0.00 175.52 175.81 3i3y h ARG 145 N 0.06 0.79 -0.58 6.66 2.43 -0.70 -2.56 114.38 120.49 3i3y h ARG 145 Ca 0.13 -0.27 0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3i3y h ARG 145 Cb 0.19 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 3i3y h ARG 145 CO -0.24 0.87 0.20 0.00 -1.51 0.00 0.00 179.97 179.29 3i3y h ALA 146 N 0.89 0.72 -0.37 2.80 0.00 -0.87 0.27 119.26 122.70 3i3y h ALA 146 Ca 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i3y h ALA 146 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3i3y h ALA 146 CO 0.03 -0.21 0.23 -0.07 0.00 0.00 0.00 179.25 179.23 3i3y h LEU 147 N 0.37 0.45 -0.71 0.00 3.38 -1.15 0.11 115.31 117.77 3i3y h LEU 147 Ca 0.29 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 3i3y h LEU 147 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3i3y h LEU 147 CO -0.30 0.36 -0.29 -0.26 0.09 0.00 0.00 178.44 178.04 3i3y h PHE 148 N 0.49 0.78 -0.10 1.13 0.05 -0.97 -1.25 116.94 117.07 3i3y h PHE 148 Ca 0.14 -0.19 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 3i3y h PHE 148 Cb -0.01 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 37.76 3i3y h PHE 148 CO -0.04 0.89 0.05 1.96 -0.18 0.00 0.00 178.31 180.99 3i3y h GLN 149 N 0.58 0.15 -0.40 1.51 4.20 -0.18 -2.15 115.11 118.82 3i3y h GLN 149 Ca 0.07 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.83 3i3y h GLN 149 Cb 0.79 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 3i3y h GLN 149 CO 0.06 0.24 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.48 3i3y h TYR 150 N 0.03 -0.13 -0.67 2.96 3.20 -0.78 -1.04 116.97 120.54 3i3y h TYR 150 Ca 0.04 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.07 3i3y h TYR 150 Cb 0.14 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3i3y h TYR 150 CO -0.03 -0.14 0.45 0.00 -1.64 0.00 0.00 178.16 176.81 3i3y h ALA 151 N 1.38 2.13 0.00 1.82 0.00 -0.92 -0.46 119.26 123.21 3i3y h ALA 151 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i3y h ALA 151 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i3y h ALA 151 CO -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.57 3i3y h ARG 152 N 0.36 0.00 0.00 0.00 3.08 -0.55 -2.81 114.38 114.46 3i3y h ARG 152 Ca 0.32 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3i3y h ARG 152 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3i3y h ARG 152 CO -0.09 0.00 -0.55 0.66 -1.07 0.00 0.00 179.97 178.92 3i3y h SER 153 N 0.00 0.00 -0.64 7.04 4.64 -0.69 -3.11 113.55 120.79 3i3y h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i3y h SER 153 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3i3y h SER 153 CO 0.00 0.32 0.00 0.54 -0.87 0.00 0.00 176.83 176.82 3i3y n ARG 154 N -3.08 2.76 -2.41 4.77 1.74 -0.95 -5.12 116.66 114.36 3i3y n ARG 154 Ca 0.01 -2.41 -0.02 0.00 -0.77 0.00 0.00 57.85 54.66 3i3y n ARG 154 Cb 0.67 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3i3y n ARG 154 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3y n GLY 155 N 1.41 -2.75 3.22 -0.13 0.00 -1.07 -3.66 105.19 102.21 3i3y n GLY 155 Ca 0.22 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 3i3y n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3y s THR 157 N -1.58 1.60 -0.09 2.61 2.01 0.17 -1.75 115.64 118.61 3i3y s THR 157 Ca 0.08 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3i3y s THR 157 Cb -0.02 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 3i3y s THR 157 CO 0.56 0.40 -0.13 0.42 -0.69 0.00 0.00 174.62 175.18 3i3y s THR 158 N -0.53 3.14 -0.04 -0.82 -4.23 -1.26 -0.75 115.64 111.15 3i3y s THR 158 Ca 0.08 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.97 3i3y s THR 158 Cb -0.08 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 3i3y s THR 158 CO -0.00 0.56 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.77 3i3y s VAL 159 N -0.22 1.43 -0.05 2.29 1.01 -0.60 -1.28 120.40 122.98 3i3y s VAL 159 Ca 0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3i3y s VAL 159 Cb -0.13 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.05 3i3y s VAL 159 CO 0.03 0.41 -0.02 0.12 0.00 0.00 0.00 175.10 175.64 3i3y s PHE 160 N -0.05 0.63 -0.61 5.22 5.36 0.72 -2.36 117.98 126.90 3i3y s PHE 160 Ca -0.02 -0.15 0.04 0.00 -0.96 0.00 0.00 56.93 55.84 3i3y s PHE 160 Cb -0.11 -0.68 0.16 0.00 -0.34 0.00 0.00 43.02 42.06 3i3y s PHE 160 CO 0.02 -0.24 0.42 1.21 -1.46 0.00 0.00 175.22 175.17 3i3y s ASN 161 N 1.38 4.00 0.00 6.13 2.47 -0.79 -1.25 114.94 126.88 3i3y s ASN 161 Ca -0.04 -3.51 0.00 0.00 0.42 0.00 0.00 52.86 49.73 3i3y s ASN 161 Cb -0.13 -1.34 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 3i3y s ASN 161 CO -0.02 -0.13 0.40 -0.81 -3.72 0.00 0.00 177.10 172.82 3i3y n PRO 162 N 2.39 0.00 -4.75 0.43 -0.04 -1.26 -3.20 135.00 128.57 3i3y n PRO 162 Ca 0.19 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.35 3i3y n PRO 162 Cb 0.37 -1.37 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 3i3y n PRO 162 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i3y s SER 163 N 2.54 2.73 0.74 3.54 0.15 -1.26 -2.38 113.70 119.76 3i3y s SER 163 Ca 0.00 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 3i3y s SER 163 Cb 0.00 -1.25 0.04 0.00 -1.71 0.00 0.00 66.02 63.10 3i3y s SER 163 CO 0.00 0.08 1.18 -2.84 1.20 0.00 0.00 173.24 172.86 3i3y s PRO 164 N 0.72 2.15 0.35 5.44 0.02 -1.25 -0.79 135.00 141.64 3i3y s PRO 164 Ca -0.11 1.65 -0.26 0.00 0.02 0.00 0.00 61.00 62.30 3i3y s PRO 164 Cb -0.16 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3i3y s PRO 164 CO 0.02 -1.80 1.02 0.54 -0.33 0.00 0.00 177.00 176.45 3i3y s VAL 165 N -2.14 3.85 -0.11 3.83 0.11 -1.00 -4.28 120.40 120.66 3i3y s VAL 165 Ca 0.72 1.54 0.00 0.00 -2.93 0.00 0.00 61.98 61.31 3i3y s VAL 165 Cb -0.27 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 30.75 3i3y s VAL 165 CO 0.46 0.13 -0.09 0.21 -3.33 0.00 0.00 175.10 172.48 3i3y s ASN 166 N -1.45 2.18 0.33 3.54 2.47 -1.26 -5.03 114.94 115.71 3i3y s ASN 166 Ca 0.52 -0.33 0.11 0.00 0.42 0.00 0.00 52.86 53.59 3i3y s ASN 166 Cb -0.23 -0.88 0.96 0.00 -1.45 0.00 0.00 41.25 39.65 3i3y s ASN 166 CO 0.29 -0.09 1.70 -0.65 -3.72 0.00 0.00 177.10 174.63 3i3y h PRO 167 N 7.97 0.46 0.00 0.43 0.11 -1.96 -0.55 132.00 138.46 3i3y h PRO 167 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3i3y h PRO 167 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i3y h PRO 167 CO 0.43 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3i3y n ASP 168 N -4.96 0.00 0.12 -2.05 8.00 -1.26 -2.72 116.55 113.68 3i3y n ASP 168 Ca 0.29 0.39 0.11 0.00 0.71 0.00 0.00 54.79 56.28 3i3y n ASP 168 Cb 0.83 -0.44 0.48 0.00 -0.02 0.00 0.00 41.12 41.96 3i3y n ASP 168 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3y n PHE 169 N -1.44 0.70 0.04 1.24 0.99 -0.21 -3.18 117.46 115.59 3i3y n PHE 169 Ca 0.04 0.29 0.07 0.00 -0.00 0.00 0.00 57.45 57.86 3i3y n PHE 169 Cb 0.15 -0.97 0.50 0.00 -1.00 0.00 0.00 39.48 38.17 3i3y n PHE 169 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i3y n HIS 171 N -4.48 3.08 0.00 0.00 -0.00 -1.19 -4.15 115.22 108.47 3i3y n HIS 171 Ca 0.04 -2.59 0.00 0.00 -0.00 0.00 0.00 57.72 55.17 3i3y n HIS 171 Cb 0.16 -1.19 0.00 0.00 -0.00 0.00 0.00 29.99 28.96 3i3y n HIS 171 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3i3y n LEU 172 N -0.66 0.00 -0.29 2.39 4.32 -0.87 -4.82 117.00 117.07 3i3y n LEU 172 Ca 0.56 -0.02 0.21 0.00 -0.02 0.00 0.00 56.01 56.73 3i3y n LEU 172 Cb 0.41 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 42.71 3i3y n LEU 172 CO 0.59 0.00 1.22 -0.50 -1.22 0.00 0.00 177.39 177.48 3i3y h TRP 173 N 0.00 0.61 0.00 -1.77 4.06 -1.73 -1.24 115.95 115.88 3i3y h TRP 173 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3i3y h TRP 173 Cb 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 3i3y h TRP 173 CO 0.00 0.11 0.00 -0.35 -3.56 0.00 0.00 178.44 174.64 3i3y n PRO 174 N -4.57 0.05 0.00 0.49 -0.04 -1.26 -0.93 135.00 128.74 3i3y n PRO 174 Ca 0.23 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 3i3y n PRO 174 Cb 0.80 -1.65 0.16 0.00 -0.04 0.00 0.00 33.50 32.76 3i3y n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i3y n LEU 175 N -1.75 1.89 -4.83 1.53 4.77 -0.47 -4.97 117.00 113.17 3i3y n LEU 175 Ca -0.00 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 3i3y n LEU 175 Cb 0.03 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3i3y n LEU 175 CO 0.04 0.34 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.60 3i3y s ILE 176 N -2.36 5.14 -0.24 -0.08 -1.09 -0.11 -4.72 121.20 117.74 3i3y s ILE 176 Ca 0.23 -0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 3i3y s ILE 176 Cb 0.19 -3.27 -0.16 0.00 -1.58 0.00 0.00 42.46 37.64 3i3y s ILE 176 CO 0.49 0.54 -0.15 0.47 -1.23 0.00 0.00 174.94 175.06 3i3y n ASP 177 N 1.75 1.97 -4.00 3.58 9.92 -0.40 -4.49 116.55 124.87 3i3y n ASP 177 Ca -0.17 0.17 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 3i3y n ASP 177 Cb 0.54 -0.71 -0.17 0.00 -0.64 0.00 0.00 41.12 40.14 3i3y n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3i3y s ILE 178 N -2.50 1.30 -0.11 0.53 1.01 -0.46 -1.98 121.20 118.99 3i3y s ILE 178 Ca -0.34 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3i3y s ILE 178 Cb 0.11 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3i3y s ILE 178 CO 0.57 0.40 -0.16 0.00 0.00 0.00 0.00 174.94 175.76 3i3y s ALA 179 N 1.17 2.51 -0.22 9.38 0.00 -0.62 -0.20 121.76 133.78 3i3y s ALA 179 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3i3y s ALA 179 Cb -0.14 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 21.97 3i3y s ALA 179 CO -0.03 0.31 -0.10 0.08 0.00 0.00 0.00 175.76 176.02 3i3y s VAL 180 N 0.15 1.81 0.17 0.00 1.01 -0.38 -0.46 120.40 122.70 3i3y s VAL 180 Ca -0.09 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.70 3i3y s VAL 180 Cb -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3i3y s VAL 180 CO 0.05 0.09 -0.05 0.68 0.00 0.00 0.00 175.10 175.87 3i3y s VAL 181 N 1.30 0.99 0.86 2.92 -7.23 0.79 -4.27 120.40 115.77 3i3y s VAL 181 Ca -0.04 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 3i3y s VAL 181 Cb -0.18 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 34.87 3i3y s VAL 181 CO -0.07 -0.57 1.20 0.20 -0.31 0.00 0.00 175.10 175.55 3i3y s ASN 182 N -3.20 3.75 0.18 4.85 0.01 -1.26 0.26 114.94 119.53 3i3y s ASN 182 Ca 0.21 0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 52.59 3i3y s ASN 182 Cb 0.04 -0.50 0.06 0.00 0.41 0.00 0.00 41.25 41.26 3i3y s ASN 182 CO 0.03 -2.31 1.44 1.05 -1.51 0.00 0.00 177.10 175.80 3i3y h GLU 183 N -1.23 0.47 0.06 -0.60 9.09 -1.93 0.12 114.58 120.57 3i3y h GLU 183 Ca -0.43 -0.36 -0.00 0.00 0.05 0.00 0.00 59.36 58.61 3i3y h GLU 183 Cb 1.26 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3i3y h GLU 183 CO 0.45 0.99 -0.03 1.03 0.05 0.00 0.00 179.01 181.50 3i3y h SER 184 N 0.34 -0.07 -0.40 3.06 0.87 -1.93 -2.37 113.55 113.04 3i3y h SER 184 Ca -0.02 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 3i3y h SER 184 Cb 1.25 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 3i3y h SER 184 CO 0.12 0.12 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.10 3i3y h GLU 185 N -0.26 0.86 -0.85 2.24 5.08 -1.92 0.94 114.58 120.67 3i3y h GLU 185 Ca -0.01 -0.30 0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3i3y h GLU 185 Cb 0.23 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3i3y h GLU 185 CO 0.01 0.93 0.55 0.00 -1.00 0.00 0.00 179.01 179.51 3i3y h ALA 186 N 1.09 1.66 0.18 3.43 0.00 -0.62 0.14 119.26 125.14 3i3y h ALA 186 Ca 0.13 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 3i3y h ALA 186 Cb 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i3y h ALA 186 CO 0.04 0.18 -1.76 1.49 0.00 0.00 0.00 179.25 179.20 3i3y h GLU 187 N 0.85 0.38 0.00 0.00 4.81 -1.14 -2.07 114.58 117.42 3i3y h GLU 187 Ca 0.39 -0.65 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 3i3y h GLU 187 Cb 0.37 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3i3y h GLU 187 CO -0.15 1.30 -0.39 1.25 -0.73 0.00 0.00 179.01 180.29 3i3y h LEU 188 N 0.10 0.00 0.00 1.64 6.46 -0.46 -3.30 115.31 119.76 3i3y h LEU 188 Ca -0.34 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3i3y h LEU 188 Cb 2.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.03 3i3y h LEU 188 CO 0.17 0.39 -1.19 0.18 -0.62 0.00 0.00 178.44 177.37 3i3y n LEU 189 N -3.47 0.09 -3.39 2.25 4.77 0.45 -4.92 117.00 112.79 3i3y n LEU 189 Ca 0.00 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3i3y n LEU 189 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3i3y n LEU 189 CO 0.37 0.02 0.08 1.67 -1.33 0.00 0.00 177.39 178.21 3i3y n GLN 190 N -1.68 -1.42 -1.67 3.23 -0.06 -0.78 -4.54 117.38 110.47 3i3y n GLN 190 Ca -0.01 1.09 -0.41 0.00 -2.00 0.00 0.00 57.00 55.66 3i3y n GLN 190 Cb 0.21 -4.42 0.01 0.00 -4.06 0.00 0.00 30.24 21.98 3i3y n GLN 190 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3i3y n PRO 191 N -2.45 1.71 -3.61 3.69 -0.02 -1.25 -5.02 135.00 128.04 3i3y n PRO 191 Ca -0.12 0.61 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 3i3y n PRO 191 Cb 0.58 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 3i3y n PRO 191 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i3y s TYR 192 N -1.22 -0.47 -1.39 6.00 1.13 -1.26 -4.97 117.35 115.18 3i3y s TYR 192 Ca 0.62 0.76 -0.03 0.00 -1.41 0.00 0.00 57.07 57.01 3i3y s TYR 192 Cb -0.53 0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.64 3i3y s TYR 192 CO 0.57 -0.54 0.64 0.41 -2.51 0.00 0.00 175.55 174.12 3i3y n GLY 193 N 0.98 -0.30 3.23 5.49 0.00 -1.26 -4.69 105.19 108.64 3i3y n GLY 193 Ca -0.20 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3i3y n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3y s VAL 194 N -3.71 2.21 0.28 1.61 1.01 -1.26 -4.84 120.40 115.69 3i3y s VAL 194 Ca 0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3i3y s VAL 194 Cb -0.06 -1.86 0.33 0.00 0.00 0.00 0.00 36.38 34.79 3i3y s VAL 194 CO 0.85 0.55 1.62 0.11 0.00 0.00 0.00 175.10 178.23 3i3y h LYS 195 N 6.88 0.11 -4.16 2.72 1.57 -1.76 -3.38 116.57 118.55 3i3y h LYS 195 Ca -0.23 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.08 3i3y h LYS 195 Cb 1.22 -0.02 -0.35 0.00 0.08 0.00 0.00 32.23 33.16 3i3y h LYS 195 CO 0.50 0.07 -0.79 0.99 -0.57 0.00 0.00 179.45 179.66 3i3y s THR 196 N -6.02 0.76 -0.09 -0.16 2.01 -0.84 -4.39 115.64 106.91 3i3y s THR 196 Ca -0.13 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.69 3i3y s THR 196 Cb 0.26 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 3i3y s THR 196 CO 0.77 0.29 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.55 3i3y s LEU 197 N 1.11 2.28 -0.11 4.42 2.96 -0.57 -1.58 118.68 127.18 3i3y s LEU 197 Ca -0.07 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 3i3y s LEU 197 Cb -0.14 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.12 3i3y s LEU 197 CO -0.01 0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.44 3i3y s VAL 198 N 0.08 1.14 -0.29 1.68 1.01 0.39 -0.30 120.40 124.11 3i3y s VAL 198 Ca -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3i3y s VAL 198 Cb -0.15 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.13 3i3y s VAL 198 CO 0.06 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 174.94 3i3y s ILE 199 N 1.51 3.45 0.08 2.22 1.01 -0.60 -0.15 121.20 128.73 3i3y s ILE 199 Ca 0.02 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3i3y s ILE 199 Cb -0.13 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 3i3y s ILE 199 CO -0.07 0.03 0.52 0.42 0.00 0.00 0.00 174.94 175.84 3i3y s THR 200 N 1.39 4.86 -0.25 2.92 -4.23 0.14 -0.66 115.64 119.80 3i3y s THR 200 Ca -0.00 0.97 0.16 0.00 -1.18 0.00 0.00 61.69 61.64 3i3y s THR 200 Cb -0.18 -3.79 0.48 0.00 1.34 0.00 0.00 72.50 70.35 3i3y s THR 200 CO -0.00 0.44 1.15 0.00 -0.54 0.00 0.00 174.62 175.68 3i3y n GLN 201 N 1.40 2.36 0.00 3.99 6.02 -0.67 -3.39 117.38 127.08 3i3y n GLN 201 Ca -0.09 -3.66 0.00 0.00 -0.01 0.00 0.00 57.00 53.24 3i3y n GLN 201 Cb 0.51 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3i3y n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3y n GLY 202 N -0.60 2.75 0.32 1.08 0.00 -1.25 -0.58 105.19 106.91 3i3y n GLY 202 Ca 0.22 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.31 3i3y n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y h ALA 203 N -0.49 1.08 -0.35 4.61 0.00 -1.99 -2.69 119.26 119.45 3i3y h ALA 203 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3i3y h ALA 203 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 3i3y h ALA 203 CO 0.00 -0.08 0.26 0.00 0.00 0.00 0.00 179.25 179.42 3i3y n ALA 204 N -2.00 4.00 -0.30 0.00 0.00 0.25 -4.31 120.51 118.14 3i3y n ALA 204 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3i3y n ALA 204 Cb 0.15 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3i3y n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3y n GLY 205 N 0.17 -1.34 3.29 0.00 0.00 -1.01 -4.75 105.19 101.55 3i3y n GLY 205 Ca 0.21 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 3i3y n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y s ALA 206 N -1.30 -0.87 -0.03 4.61 0.00 0.58 -1.67 121.76 123.08 3i3y s ALA 206 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3i3y s ALA 206 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 3i3y s ALA 206 CO 0.00 -0.42 -0.06 -1.58 0.00 0.00 0.00 175.76 173.70 3i3y s TRP 207 N -2.40 2.95 -0.21 0.00 0.52 0.16 0.36 118.94 120.32 3i3y s TRP 207 Ca -0.06 0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.08 3i3y s TRP 207 Cb -0.01 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.67 3i3y s TRP 207 CO -0.02 0.37 -0.15 -1.17 0.02 0.00 0.00 176.95 176.00 3i3y s LEU 208 N -1.17 2.61 -0.29 2.99 2.96 0.02 -1.56 118.68 124.25 3i3y s LEU 208 Ca 0.15 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 3i3y s LEU 208 Cb -0.11 -1.54 0.04 0.00 0.50 0.00 0.00 46.19 45.09 3i3y s LEU 208 CO 0.05 -0.06 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.32 3i3y s VAL 209 N 1.27 2.95 -0.02 1.68 1.01 0.58 -1.53 120.40 126.34 3i3y s VAL 209 Ca 0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 3i3y s VAL 209 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3i3y s VAL 209 CO -0.09 -0.04 0.07 -1.10 0.00 0.00 0.00 175.10 173.93 3i3y s GLN 210 N 1.26 0.14 -1.76 2.72 -0.21 -0.54 -1.51 119.66 119.76 3i3y s GLN 210 Ca -0.04 0.01 -0.19 0.00 0.02 0.00 0.00 55.36 55.16 3i3y s GLN 210 Cb -0.19 0.06 0.17 0.00 1.00 0.00 0.00 33.01 34.05 3i3y s GLN 210 CO -0.02 -0.02 0.63 -1.91 -2.12 0.00 0.00 175.29 171.85 3i3y n GLU 211 N 2.80 -1.92 0.00 2.91 4.07 -1.26 0.56 120.64 127.80 3i3y n GLU 211 Ca -0.14 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 3i3y n GLU 211 Cb 0.59 -4.79 0.00 0.00 -0.06 0.00 0.00 31.44 27.18 3i3y n GLU 211 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i3y n GLY 212 N -1.37 2.86 3.76 8.31 0.00 -1.26 -5.00 105.19 112.49 3i3y n GLY 212 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3i3y n GLY 212 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3y s GLN 213 N -0.09 4.54 -0.09 1.61 2.00 0.19 -5.06 119.66 122.76 3i3y s GLN 213 Ca 0.00 1.67 0.04 0.00 -2.00 0.00 0.00 55.36 55.07 3i3y s GLN 213 Cb 0.00 -3.02 0.00 0.00 0.80 0.00 0.00 33.01 30.79 3i3y s GLN 213 CO 0.00 0.16 -0.22 1.03 -0.50 0.00 0.00 175.29 175.76 3i3y s ARG 214 N -1.71 2.81 -0.03 1.67 0.52 -1.26 -1.47 118.95 119.49 3i3y s ARG 214 Ca 0.48 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3i3y s ARG 214 Cb -0.28 -2.14 -0.00 0.00 0.52 0.00 0.00 34.95 33.05 3i3y s ARG 214 CO 0.36 0.16 -0.12 -0.65 0.02 0.00 0.00 175.30 175.06 3i3y s GLN 215 N 0.39 1.22 -0.21 3.54 -0.21 -0.58 -4.99 119.66 118.82 3i3y s GLN 215 Ca -0.18 -0.41 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 3i3y s GLN 215 Cb -0.18 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.71 3i3y s GLN 215 CO 0.08 0.17 -0.03 0.12 -2.12 0.00 0.00 175.29 173.51 3i3y s PHE 216 N 0.09 2.98 -0.41 0.91 5.36 -1.26 -0.80 117.98 124.85 3i3y s PHE 216 Ca -0.02 -0.74 -0.11 0.00 -0.96 0.00 0.00 56.93 55.10 3i3y s PHE 216 Cb -0.09 -2.09 0.06 0.00 -0.34 0.00 0.00 43.02 40.56 3i3y s PHE 216 CO 0.01 -0.42 0.25 0.00 -1.46 0.00 0.00 175.22 173.60 3i3y s PRO 218 N 1.50 2.99 0.59 0.00 0.04 -1.26 -0.30 135.00 138.56 3i3y s PRO 218 Ca 0.03 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 3i3y s PRO 218 Cb -0.22 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3i3y s PRO 218 CO 0.05 -1.22 1.04 0.00 0.04 0.00 0.00 177.00 176.91 3i3y s ALA 219 N -1.51 2.81 -0.10 8.56 0.00 -1.26 -4.80 121.76 125.46 3i3y s ALA 219 Ca 0.76 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 3i3y s ALA 219 Cb -0.33 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3i3y s ALA 219 CO 0.36 -0.75 0.90 0.08 0.00 0.00 0.00 175.76 176.35 3i3y s VAL 220 N -2.60 4.87 0.54 0.00 1.01 -1.26 -4.88 120.40 118.08 3i3y s VAL 220 Ca 0.61 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 64.21 3i3y s VAL 220 Cb -0.14 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3i3y s VAL 220 CO 0.39 0.08 1.21 -0.81 0.00 0.00 0.00 175.10 175.97 3i3y n PRO 221 N 4.66 1.43 -3.49 2.72 -0.04 -1.26 -4.84 135.00 134.18 3i3y n PRO 221 Ca 0.05 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 63.92 3i3y n PRO 221 Cb 0.50 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 3i3y n PRO 221 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3y s ALA 222 N -1.34 -1.74 -0.38 0.55 0.00 -1.26 -5.01 121.76 112.58 3i3y s ALA 222 Ca 0.72 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 3i3y s ALA 222 Cb -0.44 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3i3y s ALA 222 CO 0.50 -0.58 0.97 -1.21 0.00 0.00 0.00 175.76 175.44 3i3y s GLU 223 N -2.55 3.85 -0.99 0.00 0.41 -1.26 -4.97 118.70 113.19 3i3y s GLU 223 Ca -0.02 0.64 -0.13 0.00 -0.41 0.00 0.00 54.97 55.05 3i3y s GLU 223 Cb -0.01 -3.81 0.23 0.00 -1.78 0.00 0.00 34.13 28.76 3i3y s GLU 223 CO -0.04 -0.99 1.02 0.00 -0.49 0.00 0.00 175.26 174.76 3i3y s ALA 224 N 3.61 4.24 -0.39 5.21 0.00 -1.26 -3.36 121.76 129.81 3i3y s ALA 224 Ca 0.40 -3.46 0.23 0.00 0.00 0.00 0.00 51.96 49.13 3i3y s ALA 224 Cb -0.11 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 19.39 3i3y s ALA 224 CO 0.20 -2.39 1.05 1.47 0.00 0.00 0.00 175.76 176.09 3i3y n LEU 225 N 3.99 0.70 -3.37 0.00 -0.00 -0.87 -4.76 117.00 112.69 3i3y n LEU 225 Ca 0.22 0.20 -0.10 0.00 -0.00 0.00 0.00 56.01 56.32 3i3y n LEU 225 Cb 0.44 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.68 3i3y n LEU 225 CO 0.44 -0.09 -0.08 -0.62 -0.00 0.00 0.00 177.39 177.04 3i3y s ASP 226 N -4.72 0.41 0.46 1.45 -1.08 -0.95 -4.97 116.67 107.27 3i3y s ASP 226 Ca 0.01 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.42 3i3y s ASP 226 Cb 0.12 1.02 0.50 0.00 -1.46 0.00 0.00 42.92 43.09 3i3y s ASP 226 CO 0.79 -0.31 1.67 0.74 0.52 0.00 0.00 175.17 178.58 3i3y h THR 227 N 6.20 0.00 -2.24 1.71 2.02 -1.86 -3.36 112.91 115.38 3i3y h THR 227 Ca -0.19 -0.92 -0.59 0.00 0.77 0.00 0.00 66.41 65.48 3i3y h THR 227 Cb 1.15 1.92 0.06 0.00 -1.74 0.00 0.00 68.15 69.54 3i3y h THR 227 CO 0.28 0.00 0.80 0.41 0.37 0.00 0.00 175.52 177.38 3i3y n THR 228 N -3.09 0.03 -0.31 3.16 -1.04 -1.26 -2.46 114.28 109.31 3i3y n THR 228 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3i3y n THR 228 Cb 0.49 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 3i3y n THR 228 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i3y n GLY 229 N 3.43 0.81 0.14 3.41 0.00 -1.26 -4.76 105.19 106.96 3i3y n GLY 229 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3i3y n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y h ALA 230 N 0.00 0.33 -0.44 4.61 0.00 -1.81 -0.81 119.26 121.14 3i3y h ALA 230 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i3y h ALA 230 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i3y h ALA 230 CO 0.00 -0.06 0.13 0.78 0.00 0.00 0.00 179.25 180.10 3i3y h GLY 231 N 0.24 0.73 1.27 0.00 0.00 -1.93 -0.84 103.07 102.55 3i3y h GLY 231 Ca 0.08 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3i3y h GLY 231 CO -0.00 0.41 0.10 -0.55 0.00 0.00 0.00 176.54 176.49 3i3y h ASP 232 N 0.56 0.85 -0.18 0.19 3.32 -1.95 -1.10 116.42 118.11 3i3y h ASP 232 Ca 0.14 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3i3y h ASP 232 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3i3y h ASP 232 CO -0.00 0.86 -0.05 0.74 -1.72 0.00 0.00 179.24 179.07 3i3y h THR 233 N 0.85 1.29 -0.65 0.35 2.02 -0.94 -1.52 112.91 114.32 3i3y h THR 233 Ca 0.18 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 66.41 3i3y h THR 233 Cb 0.37 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 3i3y h THR 233 CO 0.01 0.31 0.32 0.15 0.37 0.00 0.00 175.52 176.67 3i3y h PHE 234 N 0.05 0.58 -0.13 3.16 3.57 -0.88 -1.60 116.94 121.69 3i3y h PHE 234 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3i3y h PHE 234 Cb 0.49 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i3y h PHE 234 CO 0.05 0.23 -0.15 1.25 -2.23 0.00 0.00 178.31 177.47 3i3y h LEU 235 N 0.57 0.36 -0.71 0.59 5.85 -1.13 -3.29 115.31 117.56 3i3y h LEU 235 Ca 0.31 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3i3y h LEU 235 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3i3y h LEU 235 CO -0.23 0.78 0.36 0.00 -0.34 0.00 0.00 178.44 179.01 3i3y h ALA 236 N 0.59 0.91 0.00 1.25 0.00 -1.13 -1.77 119.26 119.12 3i3y h ALA 236 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i3y h ALA 236 Cb 0.68 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i3y h ALA 236 CO 0.04 0.46 0.00 0.28 0.00 0.00 0.00 179.25 180.03 3i3y n VAL 237 N -4.45 0.95 0.00 0.00 0.31 -0.61 -0.93 118.33 113.59 3i3y n VAL 237 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3i3y n VAL 237 Cb 0.12 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3i3y n VAL 237 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i3y n LEU 239 N 0.87 0.00 -0.05 7.52 7.94 -0.67 -0.97 117.00 131.64 3i3y n LEU 239 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3i3y n LEU 239 Cb 0.38 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.28 3i3y n LEU 239 CO 0.00 0.00 0.80 0.00 -1.11 0.00 0.00 177.39 177.08 3i3y h ALA 240 N 0.00 0.24 -0.32 1.96 0.00 -1.28 -1.65 119.26 118.21 3i3y h ALA 240 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i3y h ALA 240 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i3y h ALA 240 CO 0.00 -0.11 0.21 1.03 0.00 0.00 0.00 179.25 180.38 3i3y h SER 241 N 0.09 0.34 -0.02 0.00 0.87 -1.31 -0.23 113.55 113.29 3i3y h SER 241 Ca 0.06 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3i3y h SER 241 Cb 0.29 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3i3y h SER 241 CO 0.00 0.24 -0.28 0.00 -0.53 0.00 0.00 176.83 176.26 3i3y h ALA 242 N 1.81 0.06 -0.41 6.23 0.00 -1.77 -3.04 119.26 122.14 3i3y h ALA 242 Ca 0.12 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3i3y h ALA 242 Cb 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3i3y h ALA 242 CO -0.03 0.11 0.18 -0.07 0.00 0.00 0.00 179.25 179.44 3i3y h LEU 243 N -0.38 0.23 0.34 0.00 4.07 -0.92 0.23 115.31 118.87 3i3y h LEU 243 Ca -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3i3y h LEU 243 Cb 0.99 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.73 3i3y h LEU 243 CO 0.06 0.17 -0.22 -0.07 -1.08 0.00 0.00 178.44 177.30 3i3y h LEU 244 N 0.36 -0.56 0.00 1.67 3.38 -1.14 -1.74 115.31 117.28 3i3y h LEU 244 Ca 0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3i3y h LEU 244 Cb 0.13 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i3y h LEU 244 CO -0.16 -0.33 0.00 0.54 0.09 0.00 0.00 178.44 178.58 3i3y n ARG 245 N -3.65 0.03 -1.29 1.13 1.74 -1.15 -4.83 116.66 108.63 3i3y n ARG 245 Ca -0.06 0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 3i3y n ARG 245 Cb 0.22 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 3i3y n ARG 245 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3y n GLY 246 N -1.09 1.08 0.00 -0.13 0.00 0.66 -5.01 105.19 100.71 3i3y n GLY 246 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i3y n GLY 246 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i3y n VAL 247 N -2.50 0.00 -3.83 1.61 0.24 -0.42 -4.97 118.33 108.45 3i3y n VAL 247 Ca -0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.96 3i3y n VAL 247 Cb 0.43 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 3i3y n VAL 247 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3y s ALA 248 N -2.00 3.89 -0.43 2.33 0.00 -1.26 -4.39 121.76 119.91 3i3y s ALA 248 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 51.96 50.47 3i3y s ALA 248 Cb 0.00 -1.84 -0.18 0.00 0.00 0.00 0.00 23.12 21.10 3i3y s ALA 248 CO 0.00 0.32 1.82 -2.30 0.00 0.00 0.00 175.76 175.60 3i3y n PRO 249 N -1.10 0.42 -4.24 0.00 -0.02 -1.26 -4.90 135.00 123.91 3i3y n PRO 249 Ca -0.07 0.15 -0.26 0.00 -2.02 0.00 0.00 63.50 61.30 3i3y n PRO 249 Cb 0.55 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 3i3y n PRO 249 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i3y n ASP 250 N 5.77 2.25 0.07 2.55 5.75 -1.26 -5.03 116.55 126.66 3i3y n ASP 250 Ca 0.36 -2.94 0.04 0.00 -0.01 0.00 0.00 54.79 52.24 3i3y n ASP 250 Cb 0.02 0.60 0.44 0.00 -1.03 0.00 0.00 41.12 41.15 3i3y n ASP 250 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3y h ALA 251 N 1.41 1.67 0.00 2.12 0.00 -2.00 -2.03 119.26 120.43 3i3y h ALA 251 Ca -0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 3i3y h ALA 251 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3i3y h ALA 251 CO 0.53 0.26 -0.54 1.25 0.00 0.00 0.00 179.25 180.76 3i3y h LEU 252 N 0.38 0.00 -0.79 0.00 5.85 -1.98 -1.80 115.31 116.97 3i3y h LEU 252 Ca 0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3i3y h LEU 252 Cb 0.10 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3i3y h LEU 252 CO -0.01 0.54 0.13 0.00 -0.34 0.00 0.00 178.44 178.76 3i3y h ALA 253 N 1.46 1.01 -0.08 1.25 0.00 -1.74 -0.47 119.26 120.69 3i3y h ALA 253 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3i3y h ALA 253 Cb 0.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i3y h ALA 253 CO 0.07 0.64 -0.62 -0.07 0.00 0.00 0.00 179.25 179.27 3i3y h LEU 254 N 0.99 0.33 -1.14 0.00 4.07 -1.32 -1.08 115.31 117.15 3i3y h LEU 254 Ca 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3i3y h LEU 254 Cb 0.39 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 3i3y h LEU 254 CO 0.01 0.87 0.21 0.00 -1.08 0.00 0.00 178.44 178.44 3i3y h ALA 255 N 1.13 1.32 -0.03 1.53 0.00 -0.66 0.50 119.26 123.06 3i3y h ALA 255 Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3i3y h ALA 255 Cb 1.14 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i3y h ALA 255 CO 0.10 0.50 -0.62 0.45 0.00 0.00 0.00 179.25 179.68 3i3y h HIS 256 N 0.80 0.67 -0.75 0.00 3.86 -0.83 -3.04 115.15 115.87 3i3y h HIS 256 Ca 0.19 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3i3y h HIS 256 Cb 0.18 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3i3y h HIS 256 CO 0.01 1.16 0.45 0.00 0.86 0.00 0.00 177.93 180.41 3i3y h ALA 257 N 0.36 1.38 -0.63 2.45 0.00 -0.90 0.10 119.26 122.03 3i3y h ALA 257 Ca -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3i3y h ALA 257 Cb 1.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3i3y h ALA 257 CO 0.12 0.53 0.11 0.77 0.00 0.00 0.00 179.25 180.79 3i3y h SER 258 N 1.03 0.96 -0.30 0.00 0.02 -0.95 0.66 113.55 114.97 3i3y h SER 258 Ca 0.27 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 3i3y h SER 258 Cb -0.04 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 3i3y h SER 258 CO -0.05 0.95 -0.35 0.03 -1.14 0.00 0.00 176.83 176.27 3i3y h ARG 259 N 0.96 0.77 -0.37 3.45 3.08 -1.17 -2.47 114.38 118.63 3i3y h ARG 259 Ca 0.20 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3i3y h ARG 259 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3i3y h ARG 259 CO 0.01 1.05 0.18 0.00 -1.07 0.00 0.00 179.97 180.14 3i3y h ALA 260 N 0.71 0.48 -0.11 0.04 0.00 -0.58 -2.97 119.26 116.83 3i3y h ALA 260 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i3y h ALA 260 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i3y h ALA 260 CO 0.08 0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 3i3y h ALA 261 N 1.03 1.68 -0.25 0.00 0.00 -0.84 -2.37 119.26 118.51 3i3y h ALA 261 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3i3y h ALA 261 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i3y h ALA 261 CO -0.02 0.24 -0.28 0.00 0.00 0.00 0.00 179.25 179.20 3i3y h ALA 262 N 1.77 1.06 -0.27 0.00 0.00 -1.28 -2.07 119.26 118.48 3i3y h ALA 262 Ca 0.04 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3i3y h ALA 262 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i3y h ALA 262 CO 0.01 0.57 -0.12 0.82 0.00 0.00 0.00 179.25 180.53 3i3y h ILE 263 N 0.42 1.30 -0.06 0.00 2.04 -1.39 -2.99 117.51 116.83 3i3y h ILE 263 Ca 0.06 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.73 3i3y h ILE 263 Cb 0.71 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3i3y h ILE 263 CO 0.05 0.38 -0.03 0.74 0.00 0.00 0.00 178.15 179.29 3i3y h THR 264 N 0.30 0.89 0.00 -0.27 2.02 -1.25 -2.50 112.91 112.10 3i3y h THR 264 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3i3y h THR 264 Cb 0.63 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3i3y h THR 264 CO 0.04 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.26 3i3y n VAL 265 N -5.15 0.90 1.42 3.16 0.24 -0.80 -1.99 118.33 116.11 3i3y n VAL 265 Ca -0.05 0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 3i3y n VAL 265 Cb 0.08 -1.13 0.45 0.00 -1.47 0.00 0.00 33.84 31.78 3i3y n VAL 265 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i3y n SER 266 N -2.01 1.31 -4.22 -1.34 3.41 -0.94 -2.06 113.62 107.78 3i3y n SER 266 Ca 0.02 -1.60 -0.19 0.00 -0.26 0.00 0.00 58.87 56.84 3i3y n SER 266 Cb 0.21 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 3i3y n SER 266 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3y s ARG 267 N -1.87 0.94 0.46 4.33 0.52 -0.84 -4.79 118.95 117.70 3i3y s ARG 267 Ca 0.33 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 54.25 3i3y s ARG 267 Cb 0.18 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.59 3i3y s ARG 267 CO 0.27 0.21 1.02 1.03 0.02 0.00 0.00 175.30 177.85 3i3y s ARG 268 N -2.04 3.93 0.93 3.54 1.81 -1.26 -4.38 118.95 121.48 3i3y s ARG 268 Ca 0.03 1.34 0.00 0.00 -1.72 0.00 0.00 55.73 55.37 3i3y s ARG 268 Cb -0.09 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 3i3y s ARG 268 CO 0.03 -0.31 0.00 0.41 -0.68 0.00 0.00 175.30 174.74 3i3y n GLY 269 N -0.23 -1.89 0.00 -3.53 0.00 -1.26 -3.71 105.19 94.57 3i3y n GLY 269 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3i3y n GLY 269 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i3y n THR 270 N 0.00 0.00 -0.31 2.61 -1.04 -1.26 -4.51 114.28 109.76 3i3y n THR 270 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 3i3y n THR 270 Cb 0.00 -0.16 0.35 0.00 -1.82 0.00 0.00 70.33 68.70 3i3y n THR 270 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i3y h LEU 271 N 0.00 0.72 -0.19 -4.42 5.85 -1.76 0.17 115.31 115.69 3i3y h LEU 271 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3i3y h LEU 271 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3i3y h LEU 271 CO 0.00 0.32 0.00 -0.24 -0.34 0.00 0.00 178.44 178.18 3i3y n SER 272 N -4.63 0.19 -0.26 1.25 2.88 -1.26 -2.87 113.62 108.92 3i3y n SER 272 Ca 0.20 0.55 0.08 0.00 -1.33 0.00 0.00 58.87 58.37 3i3y n SER 272 Cb 0.51 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 3i3y n SER 272 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3y n ALA 273 N -1.58 3.53 -1.78 -1.46 0.00 0.04 -4.91 120.51 114.36 3i3y n ALA 273 Ca 0.03 -0.52 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 3i3y n ALA 273 Cb 0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3i3y n ALA 273 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i3y s PHE 274 N -2.17 3.09 0.34 0.00 0.08 -1.14 -4.14 117.98 114.05 3i3y s PHE 274 Ca 0.11 1.59 -0.29 0.00 0.12 0.00 0.00 56.93 58.47 3i3y s PHE 274 Cb 0.13 -3.27 -0.12 0.00 -0.57 0.00 0.00 43.02 39.19 3i3y s PHE 274 CO 0.51 -1.08 1.43 -2.30 -0.10 0.00 0.00 175.22 173.68 3i3y n PRO 275 N -0.19 2.43 -1.35 0.24 -0.02 -1.26 -4.95 135.00 129.91 3i3y n PRO 275 Ca 0.06 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 3i3y n PRO 275 Cb 0.48 -2.54 0.09 0.00 -0.02 0.00 0.00 33.50 31.52 3i3y n PRO 275 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i3y s GLY 276 N -0.05 1.96 0.34 -1.23 0.00 -1.26 -4.78 107.32 102.29 3i3y s GLY 276 Ca 0.57 0.53 0.11 0.00 0.00 0.00 0.00 44.72 45.93 3i3y s GLY 276 CO 0.59 0.90 1.76 0.23 0.00 0.00 0.00 173.10 176.59 3i3y h SER 277 N -0.74 0.64 0.24 1.64 0.87 -1.93 -0.66 113.55 113.62 3i3y h SER 277 Ca -0.45 0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 59.97 3i3y h SER 277 Cb 1.25 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3i3y h SER 277 CO 0.50 0.16 -0.98 0.03 -0.53 0.00 0.00 176.83 176.01 3i3y h ARG 278 N 0.59 0.50 -0.22 2.24 3.08 -1.90 -2.94 114.38 115.72 3i3y h ARG 278 Ca 0.60 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3i3y h ARG 278 Cb 1.19 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 3i3y h ARG 278 CO -0.39 1.18 -0.04 0.93 -1.07 0.00 0.00 179.97 180.58 3i3y h GLU 279 N 0.28 0.33 -0.25 0.04 5.08 -1.50 -1.88 114.58 116.68 3i3y h GLU 279 Ca -0.10 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 3i3y h GLU 279 Cb 1.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.83 3i3y h GLU 279 CO 0.18 0.39 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.94 3i3y h LEU 280 N 0.32 0.93 -0.66 1.33 3.38 -1.30 -1.50 115.31 117.80 3i3y h LEU 280 Ca 0.07 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 3i3y h LEU 280 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3i3y h LEU 280 CO 0.01 1.32 0.19 0.00 0.09 0.00 0.00 178.44 180.05 3i3y h ALA 281 N 0.64 0.86 -0.83 1.53 0.00 -1.30 0.27 119.26 120.43 3i3y h ALA 281 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i3y h ALA 281 Cb 1.19 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i3y h ALA 281 CO 0.13 0.55 0.44 0.00 0.00 0.00 0.00 179.25 180.36 3i3y h ALA 282 N 1.08 1.07 -0.03 0.00 0.00 -1.32 -2.59 119.26 117.46 3i3y h ALA 282 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i3y h ALA 282 Cb 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i3y h ALA 282 CO -0.00 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.10 3i3y h LEU 283 N 1.16 0.05 -0.87 0.00 5.85 -0.54 -3.17 115.31 117.78 3i3y h LEU 283 Ca 0.29 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i3y h LEU 283 Cb 0.06 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3i3y h LEU 283 CO -0.04 0.24 0.00 -0.07 -0.34 0.00 0.00 178.44 178.22 3i3y h LEU 284 N -0.14 0.00 -0.06 2.25 3.38 -0.28 -3.49 115.31 116.98 3i3y h LEU 284 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i3y h LEU 284 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i3y h LEU 284 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88