#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 2.77 -0.13 3.23 0.52 -1.26 -4.48 118.95 119.60 3i3y s ARG 2 Ca 0.00 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 3i3y s ARG 2 Cb 0.00 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3i3y s ARG 2 CO 0.00 0.48 -0.21 0.08 0.02 0.00 0.00 175.30 175.66 3i3y s VAL 3 N -1.75 2.17 -0.26 3.52 1.01 -0.22 -0.52 120.40 124.36 3i3y s VAL 3 Ca 0.30 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3i3y s VAL 3 Cb -0.10 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3i3y s VAL 3 CO 0.22 0.55 0.03 -0.31 0.00 0.00 0.00 175.10 175.59 3i3y s TYR 4 N 0.66 3.06 -0.41 5.22 1.51 0.09 -0.78 117.35 126.71 3i3y s TYR 4 Ca -0.10 -0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 55.03 3i3y s TYR 4 Cb -0.16 -2.19 0.08 0.00 -0.11 0.00 0.00 41.96 39.58 3i3y s TYR 4 CO 0.02 -0.52 0.23 0.08 -1.11 0.00 0.00 175.55 174.25 3i3y s VAL 5 N 1.51 3.95 -0.61 0.71 1.01 0.90 -1.11 120.40 126.77 3i3y s VAL 5 Ca 0.04 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.26 3i3y s VAL 5 Cb -0.16 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.82 3i3y s VAL 5 CO 0.00 -0.52 0.89 -0.89 0.00 0.00 0.00 175.10 174.58 3i3y s THR 6 N 1.35 4.46 0.00 3.92 2.01 -0.76 -0.78 115.64 125.85 3i3y s THR 6 Ca 0.03 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3i3y s THR 6 Cb -0.23 -4.58 0.00 0.00 0.01 0.00 0.00 72.50 67.70 3i3y s THR 6 CO 0.00 -1.26 0.00 0.61 -0.69 0.00 0.00 174.62 173.29 3i3y n GLY 7 N 5.25 3.15 3.67 4.40 0.00 -0.96 -4.14 105.19 116.56 3i3y n GLY 7 Ca -0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 2.00 4.10 -0.02 1.61 6.03 -1.26 -4.20 114.94 123.21 3i3y s ASN 8 Ca 0.00 -1.24 -0.01 0.00 -1.03 0.00 0.00 52.86 50.58 3i3y s ASN 8 Cb 0.00 -0.43 0.01 0.00 -3.03 0.00 0.00 41.25 37.80 3i3y s ASN 8 CO 0.00 -0.48 0.03 -0.51 -2.03 0.00 0.00 177.10 174.11 3i3y s ILE 9 N -2.66 -0.02 0.26 0.54 2.07 -1.26 -1.61 121.20 118.51 3i3y s ILE 9 Ca 0.37 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 3i3y s ILE 9 Cb 0.07 -0.07 -0.05 0.00 0.13 0.00 0.00 42.46 42.54 3i3y s ILE 9 CO 0.20 0.03 0.07 -0.89 -1.91 0.00 0.00 174.94 172.44 3i3y s THR 10 N 0.42 0.72 -0.20 4.00 2.01 0.17 -4.63 115.64 118.12 3i3y s THR 10 Ca -0.03 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 59.98 3i3y s THR 10 Cb -0.05 -2.57 0.04 0.00 0.01 0.00 0.00 72.50 69.93 3i3y s THR 10 CO -0.01 -0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.00 3i3y s VAL 11 N -3.64 1.88 -0.32 3.82 1.01 -1.23 -0.10 120.40 121.82 3i3y s VAL 11 Ca 0.35 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3i3y s VAL 11 Cb 0.08 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3i3y s VAL 11 CO 0.12 0.25 0.16 -1.81 0.00 0.00 0.00 175.10 173.83 3i3y s ASP 12 N 1.30 5.61 -0.18 3.32 1.01 0.15 -0.99 116.67 126.89 3i3y s ASP 12 Ca -0.01 -0.56 -0.07 0.00 0.71 0.00 0.00 52.55 52.62 3i3y s ASP 12 Cb -0.16 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3i3y s ASP 12 CO -0.09 -0.22 0.06 -1.61 0.21 0.00 0.00 175.17 173.52 3i3y s GLU 13 N 1.62 3.95 -0.25 8.23 2.02 0.00 -1.07 118.70 133.20 3i3y s GLU 13 Ca 0.04 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 3i3y s GLU 13 Cb -0.17 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3i3y s GLU 13 CO 0.07 0.26 0.15 0.99 0.02 0.00 0.00 175.26 176.75 3i3y s THR 14 N 0.39 5.16 -0.11 3.63 2.01 0.46 0.20 115.64 127.37 3i3y s THR 14 Ca 0.03 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.15 3i3y s THR 14 Cb -0.12 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3i3y s THR 14 CO 0.00 0.31 -0.13 0.26 -0.69 0.00 0.00 174.62 174.37 3i3y s TRP 15 N 1.38 2.79 -0.30 4.92 0.52 -0.71 -1.97 118.94 125.56 3i3y s TRP 15 Ca 0.07 -0.55 -0.11 0.00 0.02 0.00 0.00 56.10 55.52 3i3y s TRP 15 Cb -0.15 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 3i3y s TRP 15 CO 0.07 -0.14 0.19 0.45 0.02 0.00 0.00 176.95 177.54 3i3y s SER 16 N 0.14 5.87 0.16 2.95 0.15 0.17 -0.77 113.70 122.37 3i3y s SER 16 Ca -0.07 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.39 3i3y s SER 16 Cb -0.15 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3i3y s SER 16 CO 0.05 -0.14 -0.16 0.27 1.20 0.00 0.00 173.24 174.46 3i3y s ILE 17 N 1.71 1.60 0.49 6.45 -4.36 -1.06 -0.44 121.20 125.59 3i3y s ILE 17 Ca 0.06 -1.91 0.15 0.00 -0.26 0.00 0.00 60.65 58.69 3i3y s ILE 17 Cb -0.17 -1.77 0.25 0.00 1.25 0.00 0.00 42.46 42.02 3i3y s ILE 17 CO 0.09 -0.42 2.11 -0.65 0.24 0.00 0.00 174.94 176.31 3i3y h PRO 18 N 3.19 0.06 0.00 0.37 0.11 -1.89 -3.24 132.00 130.60 3i3y h PRO 18 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3i3y h PRO 18 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i3y h PRO 18 CO 0.53 0.07 0.00 -3.47 -0.21 0.00 0.00 178.00 174.93 3i3y n ASP 19 N -4.49 0.00 -4.67 -2.05 2.03 -1.26 -3.58 116.55 102.53 3i3y n ASP 19 Ca -0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 3i3y n ASP 19 Cb 0.12 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 3i3y n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i3y s ILE 20 N -2.00 3.10 0.63 5.18 1.01 -1.26 -4.95 121.20 122.91 3i3y s ILE 20 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 3i3y s ILE 20 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3i3y s ILE 20 CO 0.00 -0.02 1.25 -2.16 0.00 0.00 0.00 174.94 174.02 3i3y s PRO 21 N 3.90 2.70 0.78 2.79 0.04 -1.26 -5.01 135.00 138.93 3i3y s PRO 21 Ca 0.82 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 63.71 3i3y s PRO 21 Cb -0.40 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.35 3i3y s PRO 21 CO 0.37 -1.45 1.11 0.21 0.04 0.00 0.00 177.00 177.27 3i3y s LYS 22 N -3.39 1.87 0.16 4.56 2.20 -1.26 -4.94 119.74 118.93 3i3y s LYS 22 Ca 0.80 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.91 3i3y s LYS 22 Cb -0.34 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 3i3y s LYS 22 CO 0.37 -1.54 1.55 0.87 -0.36 0.00 0.00 175.35 176.24 3i3y h LYS 23 N -0.90 -0.14 -0.00 4.03 1.57 -2.06 -2.44 116.57 116.63 3i3y h LYS 23 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3i3y h LYS 23 Cb 1.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3i3y h LYS 23 CO 0.58 -0.09 -0.06 0.41 -0.57 0.00 0.00 179.45 179.72 3i3y n GLY 24 N -1.34 -1.18 3.72 3.86 0.00 -1.26 -4.93 105.19 104.06 3i3y n GLY 24 Ca 0.01 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.57 1.53 -0.19 4.61 0.00 -0.92 -5.07 121.76 119.15 3i3y s ALA 25 Ca 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 3i3y s ALA 25 Cb 0.20 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 20.21 3i3y s ALA 25 CO 0.48 -2.36 0.16 0.45 0.00 0.00 0.00 175.76 174.49 3i3y s SER 26 N -3.42 1.86 0.37 0.00 0.15 -1.26 -4.87 113.70 106.53 3i3y s SER 26 Ca 0.63 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.93 3i3y s SER 26 Cb -0.18 0.09 -0.07 0.00 -1.71 0.00 0.00 66.02 64.15 3i3y s SER 26 CO 0.57 -0.34 -0.04 0.27 1.20 0.00 0.00 173.24 174.90 3i3y s ILE 27 N 2.24 2.05 0.18 6.45 -4.36 -1.26 -5.14 121.20 121.35 3i3y s ILE 27 Ca 0.05 -2.10 -0.09 0.00 -0.26 0.00 0.00 60.65 58.25 3i3y s ILE 27 Cb -0.16 -2.79 -0.07 0.00 1.25 0.00 0.00 42.46 40.69 3i3y s ILE 27 CO -0.12 -0.11 0.48 -1.00 0.24 0.00 0.00 174.94 174.43 3i3y s HIS 28 N -2.71 3.47 0.17 1.37 3.76 -1.26 -5.09 115.29 115.00 3i3y s HIS 28 Ca 0.34 0.78 -0.06 0.00 -0.15 0.00 0.00 55.06 55.97 3i3y s HIS 28 Cb 0.06 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3i3y s HIS 28 CO 0.17 0.36 0.22 0.20 -0.85 0.00 0.00 174.74 174.84 3i3y s GLY 29 N -2.26 0.78 -0.12 -2.22 0.00 -1.26 -4.49 107.32 97.74 3i3y s GLY 29 Ca 0.43 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3i3y s GLY 29 CO 0.22 -1.05 -0.13 0.14 0.00 0.00 0.00 173.10 172.28 3i3y s VAL 30 N -4.03 1.42 -0.97 1.40 1.01 0.42 -4.94 120.40 114.70 3i3y s VAL 30 Ca 0.23 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3i3y s VAL 30 Cb 0.05 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 35.20 3i3y s VAL 30 CO 0.03 0.43 1.27 -0.75 0.00 0.00 0.00 175.10 176.08 3i3y s LYS 31 N 1.24 3.61 -0.04 2.72 2.20 -1.26 0.45 119.74 128.65 3i3y s LYS 31 Ca -0.02 -1.52 -0.24 0.00 -0.36 0.00 0.00 55.97 53.83 3i3y s LYS 31 Cb -0.14 -5.10 -0.23 0.00 -1.51 0.00 0.00 37.83 30.85 3i3y s LYS 31 CO -0.05 -1.95 1.06 -0.24 -0.36 0.00 0.00 175.35 173.81 3i3y h VAL 32 N 6.19 1.52 -4.03 4.02 3.04 -1.77 -3.49 116.25 121.74 3i3y h VAL 32 Ca 0.18 -1.90 -0.24 0.00 -1.01 0.00 0.00 66.70 63.73 3i3y h VAL 32 Cb 1.01 2.68 -0.15 0.00 -2.01 0.00 0.00 31.29 32.83 3i3y h VAL 32 CO 1.24 0.52 -0.66 -0.94 -1.01 0.00 0.00 177.57 176.73 3i3y s SER 33 N -6.33 0.85 -0.20 3.17 1.04 -1.14 -5.00 113.70 106.10 3i3y s SER 33 Ca -0.15 -1.17 -0.07 0.00 0.48 0.00 0.00 55.95 55.03 3i3y s SER 33 Cb 0.01 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.40 3i3y s SER 33 CO 0.75 -0.62 0.43 -1.58 0.98 0.00 0.00 173.24 173.19 3i3y s GLN 34 N -3.96 0.34 0.13 4.02 0.74 -1.26 -0.41 119.66 119.27 3i3y s GLN 34 Ca 0.23 1.01 0.04 0.00 0.05 0.00 0.00 55.36 56.68 3i3y s GLN 34 Cb 0.07 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 3i3y s GLN 34 CO 0.02 -0.23 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.92 3i3y s ASP 35 N 2.40 1.62 0.01 6.67 1.01 -0.23 -4.95 116.67 123.20 3i3y s ASP 35 Ca -0.03 -0.95 -0.30 0.00 0.71 0.00 0.00 52.55 51.98 3i3y s ASP 35 Cb -0.11 0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 3i3y s ASP 35 CO -0.13 -0.33 1.01 -0.63 0.21 0.00 0.00 175.17 175.30 3i3y s ILE 36 N -3.10 4.77 0.00 0.77 1.01 -1.26 0.33 121.20 123.72 3i3y s ILE 36 Ca 0.13 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.77 3i3y s ILE 36 Cb 0.01 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3i3y s ILE 36 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3i3y n GLY 37 N 2.93 5.79 0.01 6.18 0.00 0.86 -4.59 105.19 116.37 3i3y n GLY 37 Ca 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 3.69 1.21 0.33 -0.02 0.00 -1.26 -0.66 105.19 108.48 3i3y n GLY 38 Ca 0.00 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 0.01 0.35 1.61 1.57 -1.94 0.49 116.57 118.66 3i3y h LYS 39 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i3y h LYS 39 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i3y h LYS 39 CO 0.00 0.01 -0.17 0.78 -0.57 0.00 0.00 179.45 179.50 3i3y h GLY 40 N 0.01 -0.50 1.07 3.86 0.00 -1.90 -1.85 103.07 103.76 3i3y h GLY 40 Ca 0.15 0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 3i3y h GLY 40 CO -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 176.54 176.40 3i3y h ALA 41 N -0.26 0.83 0.13 3.60 0.00 -0.81 -0.59 119.26 122.16 3i3y h ALA 41 Ca -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3i3y h ALA 41 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i3y h ALA 41 CO 0.08 0.64 -0.14 -0.91 0.00 0.00 0.00 179.25 178.92 3i3y h ASN 42 N 0.97 -0.37 -0.09 0.00 2.35 -0.95 0.21 115.58 117.71 3i3y h ASN 42 Ca 0.18 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3i3y h ASN 42 Cb 0.51 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 3i3y h ASN 42 CO 0.02 -0.21 0.04 1.56 -1.65 0.00 0.00 177.43 177.20 3i3y h GLN 43 N -0.30 0.12 -0.72 0.81 4.20 -1.26 -1.72 115.11 116.25 3i3y h GLN 43 Ca 0.01 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3i3y h GLN 43 Cb 0.29 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3i3y h GLN 43 CO -0.05 0.18 0.46 0.00 -0.67 0.00 0.00 178.83 178.76 3i3y h ALA 44 N 0.93 0.93 -0.46 3.87 0.00 -0.94 -1.48 119.26 122.11 3i3y h ALA 44 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3y h ALA 44 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i3y h ALA 44 CO -0.00 0.28 0.30 0.82 0.00 0.00 0.00 179.25 180.64 3i3y h ILE 45 N 0.92 1.13 -0.39 0.00 2.04 -0.37 -1.89 117.51 118.96 3i3y h ILE 45 Ca 0.28 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.75 3i3y h ILE 45 Cb -0.04 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3i3y h ILE 45 CO -0.09 0.12 -0.31 0.40 0.00 0.00 0.00 178.15 178.28 3i3y h ILE 46 N 0.62 1.28 -0.64 -0.67 2.04 -1.05 -2.13 117.51 116.96 3i3y h ILE 46 Ca 0.17 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3i3y h ILE 46 Cb -0.06 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3i3y h ILE 46 CO -0.04 0.49 0.41 -0.07 0.00 0.00 0.00 178.15 178.94 3i3y h LEU 47 N 0.72 0.69 -1.02 1.44 3.38 -1.10 -2.17 115.31 117.24 3i3y h LEU 47 Ca 0.08 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3i3y h LEU 47 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3i3y h LEU 47 CO 0.08 0.49 -0.35 0.77 0.09 0.00 0.00 178.44 179.52 3i3y h SER 48 N 0.82 0.27 0.62 -0.43 4.64 -1.15 -1.92 113.55 116.40 3i3y h SER 48 Ca 0.25 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 3i3y h SER 48 Cb -0.04 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3i3y h SER 48 CO -0.08 0.61 -0.13 0.03 -0.87 0.00 0.00 176.83 176.39 3i3y h ARG 49 N 0.23 0.00 0.00 4.77 3.08 -0.80 -1.65 114.38 120.01 3i3y h ARG 49 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i3y h ARG 49 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3i3y h ARG 49 CO 0.05 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.09 3i3y n GLY 51 N 1.22 0.87 3.69 0.00 0.00 -0.62 -4.95 105.19 105.40 3i3y n GLY 51 Ca 0.12 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 5.17 -0.34 -0.61 -1.09 -0.98 -4.99 121.20 116.35 3i3y s ILE 52 Ca 0.00 0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 58.99 3i3y s ILE 52 Cb 0.00 -3.80 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 3i3y s ILE 52 CO 0.00 0.26 2.26 -0.62 -1.23 0.00 0.00 174.94 175.61 3i3y n GLU 53 N 4.26 1.41 -4.94 2.79 -0.58 -1.26 -4.06 120.64 118.26 3i3y n GLU 53 Ca -0.07 0.34 -0.27 0.00 -0.42 0.00 0.00 57.16 56.75 3i3y n GLU 53 Cb 0.51 -2.91 -0.16 0.00 -0.57 0.00 0.00 31.44 28.32 3i3y n GLU 53 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3i3y s THR 54 N 8.56 1.55 -0.15 2.62 2.01 -1.26 -1.05 115.64 127.91 3i3y s THR 54 Ca 1.05 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 3i3y s THR 54 Cb -0.55 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 70.70 3i3y s THR 54 CO 0.40 0.44 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.56 3i3y s ARG 55 N -0.31 1.66 -0.26 4.92 0.52 0.04 -4.84 118.95 120.68 3i3y s ARG 55 Ca 0.04 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 3i3y s ARG 55 Cb -0.09 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3i3y s ARG 55 CO 0.00 -0.35 0.47 -1.17 0.02 0.00 0.00 175.30 174.27 3i3y s LEU 56 N 1.61 4.05 -0.51 2.53 2.96 -1.26 -0.07 118.68 127.98 3i3y s LEU 56 Ca 0.03 0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 54.30 3i3y s LEU 56 Cb -0.14 -2.58 0.13 0.00 0.50 0.00 0.00 46.19 44.10 3i3y s LEU 56 CO -0.08 -0.25 0.38 -0.63 -1.32 0.00 0.00 176.35 174.45 3i3y s ILE 57 N 2.19 4.23 0.04 6.68 1.01 0.04 0.15 121.20 135.54 3i3y s ILE 57 Ca 0.19 -1.98 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 3i3y s ILE 57 Cb -0.16 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3i3y s ILE 57 CO 0.09 -0.80 0.13 0.00 0.00 0.00 0.00 174.94 174.36 3i3y s ALA 58 N 1.11 -0.16 -0.09 9.38 0.00 0.75 -2.28 121.76 130.48 3i3y s ALA 58 Ca 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3i3y s ALA 58 Cb -0.24 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3i3y s ALA 58 CO -0.02 -0.34 0.12 0.00 0.00 0.00 0.00 175.76 175.51 3i3y s ALA 59 N -2.70 3.76 0.06 0.00 0.00 -1.26 -3.84 121.76 117.77 3i3y s ALA 59 Ca -0.04 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3i3y s ALA 59 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 3i3y s ALA 59 CO -0.05 0.64 -0.18 0.95 0.00 0.00 0.00 175.76 177.11 3i3y s THR 60 N -1.06 1.48 0.33 0.00 -4.23 -1.26 -4.63 115.64 106.28 3i3y s THR 60 Ca 0.17 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3i3y s THR 60 Cb -0.12 -1.32 0.06 0.00 1.34 0.00 0.00 72.50 72.46 3i3y s THR 60 CO 0.06 0.06 0.46 0.61 -0.54 0.00 0.00 174.62 175.28 3i3y n GLY 61 N 1.67 0.90 2.65 3.99 0.00 -1.26 -0.06 105.19 113.08 3i3y n GLY 61 Ca -0.18 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 3i3y n GLY 61 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i3y n ASN 62 N -2.92 7.47 -2.15 1.61 5.15 -0.77 -4.38 115.26 119.28 3i3y n ASN 62 Ca 0.08 -3.61 -0.08 0.00 -0.60 0.00 0.00 54.58 50.37 3i3y n ASN 62 Cb 0.28 -1.19 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 3i3y n ASN 62 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3i3y n ASP 63 N 0.19 0.61 -0.03 1.20 5.68 -1.26 -4.69 116.55 118.24 3i3y n ASP 63 Ca 0.51 -1.78 -0.11 0.00 -0.50 0.00 0.00 54.79 52.92 3i3y n ASP 63 Cb 0.27 0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 40.64 3i3y n ASP 63 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3i3y h SER 64 N 0.63 0.19 0.11 -1.12 0.02 -2.01 -2.27 113.55 109.10 3i3y h SER 64 Ca -0.10 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3i3y h SER 64 Cb 0.43 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3i3y h SER 64 CO 0.16 0.20 -0.04 0.78 -1.14 0.00 0.00 176.83 176.79 3i3y h ASN 65 N 0.16 0.00 -0.04 3.07 2.35 -1.97 -1.95 115.58 117.20 3i3y h ASN 65 Ca 0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3i3y h ASN 65 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3i3y h ASN 65 CO -0.01 0.04 -0.25 1.23 -1.65 0.00 0.00 177.43 176.79 3i3y h GLY 66 N 0.27 0.27 1.35 2.83 0.00 -1.62 -1.93 103.07 104.24 3i3y h GLY 66 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3i3y h GLY 66 CO 0.01 0.35 0.10 0.00 0.00 0.00 0.00 176.54 177.00 3i3y h ALA 67 N 0.39 1.20 -0.32 3.60 0.00 -1.19 -0.65 119.26 122.28 3i3y h ALA 67 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3i3y h ALA 67 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3i3y h ALA 67 CO 0.05 0.54 0.07 2.35 0.00 0.00 0.00 179.25 182.26 3i3y h TRP 68 N 0.78 0.55 0.13 0.00 7.01 -1.37 0.07 115.95 123.12 3i3y h TRP 68 Ca 0.17 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 3i3y h TRP 68 Cb 0.32 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 3i3y h TRP 68 CO 0.02 0.58 -0.06 0.82 -2.79 0.00 0.00 178.44 177.00 3i3y h ILE 69 N 0.35 0.91 -0.87 2.65 2.04 -1.01 0.27 117.51 121.87 3i3y h ILE 69 Ca 0.10 -0.13 0.15 0.00 1.00 0.00 0.00 64.86 65.98 3i3y h ILE 69 Cb 0.32 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 3i3y h ILE 69 CO 0.00 0.03 0.56 0.03 0.00 0.00 0.00 178.15 178.78 3i3y h ARG 70 N -0.23 0.61 -0.09 2.37 3.08 -1.02 -1.26 114.38 117.83 3i3y h ARG 70 Ca -0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 3i3y h ARG 70 Cb 0.18 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i3y h ARG 70 CO 0.03 0.40 -0.58 0.37 -1.07 0.00 0.00 179.97 179.12 3i3y h GLN 71 N 0.62 0.54 -0.29 0.04 -0.00 -0.00 -3.20 115.11 112.82 3i3y h GLN 71 Ca 0.43 -0.47 -0.11 0.00 -0.00 0.00 0.00 58.65 58.50 3i3y h GLN 71 Cb 0.77 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 3i3y h GLN 71 CO -0.19 1.10 -0.29 1.96 0.00 0.00 0.00 178.83 181.41 3i3y h GLN 72 N 0.15 0.59 -0.25 1.69 1.08 0.02 -3.01 115.11 115.37 3i3y h GLN 72 Ca -0.05 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 56.86 3i3y h GLN 72 Cb 1.23 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3i3y h GLN 72 CO 0.12 0.82 -0.03 0.82 -0.95 0.00 0.00 178.83 179.61 3i3y h ILE 73 N 0.51 1.17 -0.06 2.54 1.08 -1.32 -2.44 117.51 118.99 3i3y h ILE 73 Ca 0.06 -0.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 3i3y h ILE 73 Cb 0.76 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3i3y h ILE 73 CO 0.06 0.23 0.33 0.11 -0.69 0.00 0.00 178.15 178.19 3i3y h LYS 74 N 0.37 0.00 0.00 2.37 1.57 -1.52 0.18 116.57 119.55 3i3y h LYS 74 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3i3y h LYS 74 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i3y h LYS 74 CO 0.01 0.00 -0.18 0.09 -0.57 0.00 0.00 179.45 178.80 3i3y n ASN 75 N -3.04 0.29 -4.87 0.86 3.02 -0.92 -4.86 115.26 105.74 3i3y n ASN 75 Ca -0.01 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.53 3i3y n ASN 75 Cb 0.40 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.02 3.23 0.00 3.52 0.41 0.64 -4.96 118.70 118.52 3i3y s GLU 76 Ca 0.12 -0.58 0.12 0.00 -0.41 0.00 0.00 54.97 54.22 3i3y s GLU 76 Cb 0.17 -2.90 0.71 0.00 -1.78 0.00 0.00 34.13 30.34 3i3y s GLU 76 CO 0.60 0.57 1.17 -0.35 -0.49 0.00 0.00 175.26 176.76 3i3y n PRO 77 N 0.10 0.57 0.00 0.39 -0.04 -1.26 -5.03 135.00 129.73 3i3y n PRO 77 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3i3y n PRO 77 Cb 0.52 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.83 0.00 -3.64 1.53 7.94 -1.26 -4.89 117.00 115.85 3i3y n LEU 78 Ca 0.09 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 3i3y n LEU 78 Cb 0.04 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 3i3y n LEU 78 CO 0.07 -0.01 0.66 -0.22 -1.11 0.00 0.00 177.39 176.78 3i3y s LEU 80 N 0.00 -0.53 0.05 -1.96 2.96 -1.26 -4.93 118.68 113.00 3i3y s LEU 80 Ca 0.00 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 3i3y s LEU 80 Cb 0.00 1.86 -0.02 0.00 0.50 0.00 0.00 46.19 48.53 3i3y s LEU 80 CO 0.00 -0.15 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.03 3i3y s LEU 81 N 0.97 2.24 0.81 -0.68 1.43 0.12 -4.43 118.68 119.14 3i3y s LEU 81 Ca -0.05 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3i3y s LEU 81 Cb -0.04 -0.27 0.09 0.00 0.03 0.00 0.00 46.19 45.99 3i3y s LEU 81 CO -0.12 -0.15 1.18 -2.16 0.23 0.00 0.00 176.35 175.33 3i3y s PRO 82 N -1.50 1.86 0.41 1.29 0.04 -1.25 -0.17 135.00 135.68 3i3y s PRO 82 Ca -0.07 0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.78 3i3y s PRO 82 Cb -0.09 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3i3y s PRO 82 CO 0.01 -1.64 0.99 -0.51 0.04 0.00 0.00 177.00 175.89 3i3y s ASP 83 N -4.60 6.86 0.00 6.66 1.11 -1.26 -4.78 116.67 120.65 3i3y s ASP 83 Ca 0.63 1.86 0.00 0.00 0.18 0.00 0.00 52.55 55.21 3i3y s ASP 83 Cb -0.10 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3i3y s ASP 83 CO 0.49 -0.42 0.00 0.61 1.18 0.00 0.00 175.17 177.03 3i3y n GLY 84 N -0.07 -1.73 1.43 0.21 0.00 -1.26 -5.04 105.19 98.73 3i3y n GLY 84 Ca 0.06 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 3i3y n GLY 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i3y n HIS 85 N 0.00 -1.35 0.00 1.61 1.44 -1.26 -4.83 115.22 110.83 3i3y n HIS 85 Ca 0.00 -0.78 0.00 0.00 -2.01 0.00 0.00 57.72 54.93 3i3y n HIS 85 Cb 0.00 0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.43 3i3y n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3i3y n PHE 86 N -0.21 0.00 -3.65 -1.40 3.01 0.91 -4.93 117.46 111.19 3i3y n PHE 86 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 3i3y n PHE 86 Cb 0.23 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.54 3i3y n PHE 86 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i3y s ASN 87 N 0.93 0.97 -0.05 4.37 -0.87 -1.26 -1.84 114.94 117.19 3i3y s ASN 87 Ca 0.00 0.19 -0.04 0.00 -1.57 0.00 0.00 52.86 51.44 3i3y s ASN 87 Cb 0.00 0.20 0.01 0.00 -0.02 0.00 0.00 41.25 41.44 3i3y s ASN 87 CO 0.00 -0.26 0.07 1.67 -2.57 0.00 0.00 177.10 176.01 3i3y n GLN 88 N 5.32 -2.53 -4.05 -0.60 7.27 -1.26 -4.68 117.38 116.85 3i3y n GLN 88 Ca -0.05 1.99 -0.25 0.00 0.07 0.00 0.00 57.00 58.77 3i3y n GLN 88 Cb 0.50 -2.49 -0.06 0.00 2.41 0.00 0.00 30.24 30.60 3i3y n GLN 88 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3i3y s HIS 89 N -0.27 2.50 0.27 3.69 -3.43 -1.26 -4.10 115.29 112.69 3i3y s HIS 89 Ca -0.09 -0.61 -0.28 0.00 -0.80 0.00 0.00 55.06 53.28 3i3y s HIS 89 Cb 0.01 -1.98 -0.15 0.00 -1.43 0.00 0.00 32.58 29.03 3i3y s HIS 89 CO 0.23 0.08 0.90 0.43 -2.00 0.00 0.00 174.74 174.38 3i3y n SER 90 N -1.33 0.73 0.00 7.38 7.64 -0.91 -4.89 113.62 122.24 3i3y n SER 90 Ca -0.01 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3i3y n SER 90 Cb 0.64 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 3i3y n SER 90 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i3y n ASP 91 N 1.38 0.00 -3.97 6.43 5.68 -1.17 -3.54 116.55 121.35 3i3y n ASP 91 Ca 0.11 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.26 3i3y n ASP 91 Cb 0.31 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.15 3i3y n ASP 91 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3i3y s THR 92 N -2.00 0.36 -0.23 2.12 -1.32 -0.16 -1.70 115.64 112.71 3i3y s THR 92 Ca 0.00 -0.43 -0.17 0.00 -1.21 0.00 0.00 61.69 59.89 3i3y s THR 92 Cb 0.00 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 3i3y s THR 92 CO 0.00 -0.05 0.45 -0.44 -2.21 0.00 0.00 174.62 172.36 3i3y s SER 93 N -0.52 6.42 -0.56 8.08 0.01 0.49 -0.82 113.70 126.80 3i3y s SER 93 Ca -0.02 0.50 -0.09 0.00 1.31 0.00 0.00 55.95 57.65 3i3y s SER 93 Cb -0.04 -2.25 0.15 0.00 0.21 0.00 0.00 66.02 64.08 3i3y s SER 93 CO -0.00 -0.18 0.44 -0.63 0.41 0.00 0.00 173.24 173.28 3i3y s ILE 94 N 1.81 4.35 -0.96 1.44 1.01 0.13 -1.74 121.20 127.23 3i3y s ILE 94 Ca 0.20 -2.15 -0.24 0.00 0.00 0.00 0.00 60.65 58.46 3i3y s ILE 94 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3i3y s ILE 94 CO 0.09 -0.84 1.70 -0.63 0.00 0.00 0.00 174.94 175.26 3i3y s ILE 95 N 0.86 3.69 -0.51 2.92 -1.09 0.06 -1.74 121.20 125.39 3i3y s ILE 95 Ca 0.10 -0.58 -0.26 0.00 -2.23 0.00 0.00 60.65 57.69 3i3y s ILE 95 Cb -0.22 -4.53 0.03 0.00 -1.58 0.00 0.00 42.46 36.15 3i3y s ILE 95 CO -0.03 -1.44 0.98 -0.22 -1.23 0.00 0.00 174.94 173.00 3i3y s LEU 96 N 7.54 3.94 0.00 2.97 2.96 0.05 -2.55 118.68 133.60 3i3y s LEU 96 Ca 0.58 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3i3y s LEU 96 Cb -0.03 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.56 3i3y s LEU 96 CO -0.05 -1.18 0.00 0.59 -1.32 0.00 0.00 176.35 174.39 3i3y n ASN 97 N 7.48 0.00 0.00 3.68 4.13 -1.26 -2.57 115.26 126.72 3i3y n ASN 97 Ca 0.05 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.39 3i3y n ASN 97 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 3i3y n ASN 97 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3i3y n SER 98 N -2.79 0.00 -0.22 6.41 2.88 -1.22 -4.82 113.62 113.86 3i3y n SER 98 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3i3y n SER 98 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i3y n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3y n ALA 99 N -3.00 -0.15 -1.50 -1.46 0.00 -1.26 -4.13 120.51 109.01 3i3y n ALA 99 Ca 0.00 0.53 -0.56 0.00 0.00 0.00 0.00 53.44 53.41 3i3y n ALA 99 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 3i3y n ALA 99 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i3y n ASP 100 N -4.79 1.85 0.00 0.00 8.00 -1.26 -4.92 116.55 115.43 3i3y n ASP 100 Ca 0.04 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.27 3i3y n ASP 100 Cb 0.20 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 5.89 0.00 3.69 0.44 0.00 -1.26 -4.52 105.19 109.43 3i3y n GLY 101 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 3i3y n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3y s ASP 102 N -2.64 3.35 0.23 1.61 1.01 -1.26 -4.61 116.67 114.35 3i3y s ASP 102 Ca 0.00 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 3i3y s ASP 102 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3i3y s ASP 102 CO 0.00 -2.82 0.95 0.20 0.21 0.00 0.00 175.17 173.71 3i3y s ASN 103 N -2.52 7.61 0.14 0.27 0.01 -1.26 -4.66 114.94 114.53 3i3y s ASN 103 Ca 0.69 1.95 -0.05 0.00 -0.71 0.00 0.00 52.86 54.74 3i3y s ASN 103 Cb -0.25 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.75 3i3y s ASN 103 CO 0.54 0.12 0.38 0.00 -1.51 0.00 0.00 177.10 176.63 3i3y s ALA 104 N -1.05 3.78 -0.01 0.60 0.00 -1.06 -4.93 121.76 119.10 3i3y s ALA 104 Ca 0.42 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3i3y s ALA 104 Cb -0.26 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.73 3i3y s ALA 104 CO 0.32 0.66 -0.01 0.42 0.00 0.00 0.00 175.76 177.16 3i3y s ILE 105 N -1.65 0.10 -0.09 0.00 1.01 -1.26 -0.76 121.20 118.55 3i3y s ILE 105 Ca 0.41 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.07 3i3y s ILE 105 Cb -0.12 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.24 3i3y s ILE 105 CO 0.24 0.05 -0.19 -0.63 0.00 0.00 0.00 174.94 174.41 3i3y s ILE 106 N 0.21 1.71 0.05 2.92 1.09 -0.71 -5.00 121.20 121.47 3i3y s ILE 106 Ca -0.02 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.78 3i3y s ILE 106 Cb -0.03 -1.51 -0.02 0.00 -1.06 0.00 0.00 42.46 39.84 3i3y s ILE 106 CO -0.01 0.48 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.27 3i3y s THR 107 N 0.54 1.21 0.23 2.92 2.01 -1.26 -0.38 115.64 120.91 3i3y s THR 107 Ca -0.16 -1.12 0.10 0.00 0.31 0.00 0.00 61.69 60.82 3i3y s THR 107 Cb -0.17 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 3i3y s THR 107 CO 0.06 -0.03 -0.18 0.42 -0.69 0.00 0.00 174.62 174.20 3i3y s THR 108 N -0.95 2.12 0.00 -0.82 -4.23 -0.69 -5.01 115.64 106.06 3i3y s THR 108 Ca 0.02 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 3i3y s THR 108 Cb -0.09 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3i3y s THR 108 CO 0.02 -0.43 0.00 0.35 -0.54 0.00 0.00 174.62 174.02 3i3y n THR 109 N -0.32 0.00 0.00 3.99 -2.24 -1.26 -3.05 114.28 111.39 3i3y n THR 109 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3i3y n THR 109 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3i3y n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3y n ALA 110 N -3.00 0.00 -0.02 6.98 0.00 -1.26 -2.14 120.51 121.07 3i3y n ALA 110 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i3y n ALA 110 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i3y n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3y h ALA 111 N 0.00 0.09 -0.15 0.00 0.00 -1.87 -1.83 119.26 115.51 3i3y h ALA 111 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3i3y h ALA 111 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i3y h ALA 111 CO 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 3i3y h ALA 112 N 0.71 0.21 -0.65 0.00 0.00 -1.86 -1.49 119.26 116.18 3i3y h ALA 112 Ca 0.02 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 54.82 3i3y h ALA 112 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i3y h ALA 112 CO 0.00 0.04 0.46 -0.44 0.00 0.00 0.00 179.25 179.31 3i3y h ASP 113 N -0.03 0.06 -0.01 0.00 3.45 -1.86 -1.64 116.42 116.39 3i3y h ASP 113 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3i3y h ASP 113 Cb 0.59 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3i3y h ASP 113 CO 0.03 0.03 -0.65 0.41 -1.57 0.00 0.00 179.24 177.48 3i3y n THR 114 N -4.37 0.00 -2.24 0.35 -1.04 -0.69 -4.78 114.28 101.52 3i3y n THR 114 Ca 0.12 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 3i3y n THR 114 Cb 0.68 1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 70.29 3i3y n THR 114 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3i3y s PHE 115 N -2.56 2.12 0.87 -1.42 5.36 -0.57 -4.94 117.98 116.84 3i3y s PHE 115 Ca 0.13 -0.00 -0.12 0.00 -0.96 0.00 0.00 56.93 55.98 3i3y s PHE 115 Cb 0.16 -4.27 0.12 0.00 -0.34 0.00 0.00 43.02 38.68 3i3y s PHE 115 CO 0.65 -1.70 1.13 -1.54 -1.46 0.00 0.00 175.22 172.30 3i3y s SER 116 N 6.59 3.84 0.94 6.13 1.04 -1.26 -4.99 113.70 125.99 3i3y s SER 116 Ca 0.62 1.03 0.00 0.00 0.48 0.00 0.00 55.95 58.08 3i3y s SER 116 Cb -0.03 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.46 3i3y s SER 116 CO 0.00 -2.35 0.00 0.18 0.98 0.00 0.00 173.24 172.05 3i3y n LEU 117 N -3.64 0.00 0.00 2.42 7.99 -1.26 -2.53 117.00 119.98 3i3y n LEU 117 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 3i3y n LEU 117 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 3i3y n LEU 117 CO 0.57 -1.16 0.00 0.47 -1.51 0.00 0.00 177.39 175.76 3i3y n ASP 118 N -2.82 0.00 -0.72 -1.43 9.92 -1.26 -4.81 116.55 115.43 3i3y n ASP 118 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 3i3y n ASP 118 Cb 0.00 0.00 0.33 0.00 -0.64 0.00 0.00 41.12 40.81 3i3y n ASP 118 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i3y n GLU 119 N 0.00 1.95 0.00 -1.24 4.07 -1.05 -4.49 120.64 119.88 3i3y n GLU 119 Ca 0.00 -1.42 0.00 0.00 -0.06 0.00 0.00 57.16 55.68 3i3y n GLU 119 Cb 0.00 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3i3y n GLU 119 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 3i3y n ILE 121 N 0.65 0.00 0.16 6.31 0.13 -1.26 -4.72 119.36 120.62 3i3y n ILE 121 Ca 0.17 0.00 0.09 0.00 -1.10 0.00 0.00 62.75 61.91 3i3y n ILE 121 Cb 0.41 0.00 0.47 0.00 -0.84 0.00 0.00 39.64 39.68 3i3y n ILE 121 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 3i3y n PRO 122 N 0.00 0.11 -0.66 9.51 -0.04 -1.26 -3.81 135.00 138.85 3i3y n PRO 122 Ca 0.00 0.59 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 3i3y n PRO 122 Cb 0.00 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 3i3y n PRO 122 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3y n HIS 123 N -2.10 0.00 0.00 0.54 8.25 -1.26 -4.73 115.22 115.92 3i3y n HIS 123 Ca -0.01 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 3i3y n HIS 123 Cb 0.04 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 2.03 0.00 1.20 -1.41 0.00 -1.25 -4.87 120.51 116.20 3i3y n ALA 125 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3i3y n ALA 125 Cb 0.63 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.37 3i3y n ALA 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i3y n ASP 126 N 0.00 1.34 -4.74 0.00 -0.08 -1.26 -4.94 116.55 106.86 3i3y n ASP 126 Ca 0.00 -1.11 -0.36 0.00 -1.51 0.00 0.00 54.79 51.81 3i3y n ASP 126 Cb 0.00 0.20 0.05 0.00 2.34 0.00 0.00 41.12 43.71 3i3y n ASP 126 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i3y s ALA 127 N -2.45 2.45 0.21 -1.67 0.00 -1.26 -5.05 121.76 113.99 3i3y s ALA 127 Ca 0.24 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3i3y s ALA 127 Cb 0.19 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3i3y s ALA 127 CO 0.51 -1.36 0.11 0.14 0.00 0.00 0.00 175.76 175.16 3i3y s VAL 128 N -1.63 0.20 0.30 0.00 -7.23 -1.26 -5.07 120.40 105.71 3i3y s VAL 128 Ca 0.78 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 3i3y s VAL 128 Cb -0.31 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.02 3i3y s VAL 128 CO 0.36 -0.06 1.57 0.00 -0.31 0.00 0.00 175.10 176.66 3i3y n ALA 129 N -0.31 2.43 0.00 1.32 0.00 -0.87 -1.61 120.51 121.46 3i3y n ALA 129 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3i3y n ALA 129 Cb 0.66 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 1.89 2.71 3.72 0.00 0.00 -0.53 -5.01 105.19 107.98 3i3y n GLY 130 Ca 0.08 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 0.15 3.85 -0.01 1.61 1.01 -0.64 -4.50 116.67 118.15 3i3y s ASP 131 Ca 0.00 2.12 0.02 0.00 0.71 0.00 0.00 52.55 55.40 3i3y s ASP 131 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 3i3y s ASP 131 CO 0.00 -2.48 -0.02 -0.63 0.21 0.00 0.00 175.17 172.25 3i3y s ILE 132 N -2.52 4.03 -0.32 0.77 1.01 0.32 -0.45 121.20 124.04 3i3y s ILE 132 Ca 0.67 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 3i3y s ILE 132 Cb -0.23 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.54 3i3y s ILE 132 CO 0.53 0.40 0.04 -0.22 0.00 0.00 0.00 174.94 175.68 3i3y s LEU 133 N -1.48 4.29 -0.20 2.97 2.96 -0.01 -0.73 118.68 126.48 3i3y s LEU 133 Ca 0.18 -1.63 -0.11 0.00 -0.22 0.00 0.00 54.13 52.36 3i3y s LEU 133 Cb -0.11 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3i3y s LEU 133 CO 0.09 -0.33 0.16 -0.22 -1.32 0.00 0.00 176.35 174.73 3i3y s LEU 134 N 1.14 4.19 0.00 -0.68 2.96 -0.26 -1.16 118.68 124.87 3i3y s LEU 134 Ca 0.00 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3i3y s LEU 134 Cb -0.20 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 3i3y s LEU 134 CO -0.04 0.14 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.51 3i3y s GLN 135 N 0.53 0.34 0.00 1.98 0.74 -0.57 -1.83 119.66 120.86 3i3y s GLN 135 Ca 0.09 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.28 3i3y s GLN 135 Cb -0.12 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.70 3i3y s GLN 135 CO 0.00 0.08 0.00 1.04 -0.55 0.00 0.00 175.29 175.86 3i3y n GLN 136 N 2.78 3.98 -0.21 1.67 3.00 -1.26 -1.99 117.38 125.35 3i3y n GLN 136 Ca -0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.97 3i3y n GLN 136 Cb 0.58 0.00 0.22 0.00 0.00 0.00 0.00 30.24 31.04 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 1.81 3.36 1.08 0.00 -0.21 -4.59 105.19 111.64 3i3y n GLY 137 Ca 0.00 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 3i3y n GLY 137 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3y n ASN 138 N 1.51 5.20 0.00 1.61 0.23 -1.26 -4.18 115.26 118.38 3i3y n ASN 138 Ca 0.20 -3.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.25 3i3y n ASN 138 Cb 0.61 -1.56 0.00 0.00 -2.08 0.00 0.00 39.78 36.75 3i3y n ASN 138 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3i3y n PHE 139 N 5.33 0.00 -0.47 -2.53 3.72 -1.26 -4.74 117.46 117.52 3i3y n PHE 139 Ca 0.37 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.49 3i3y n PHE 139 Cb 0.42 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.22 3i3y n PHE 139 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i3y n SER 140 N 0.00 -1.82 -0.06 4.37 3.41 -1.26 -4.66 113.62 113.60 3i3y n SER 140 Ca 0.00 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 3i3y n SER 140 Cb 0.00 -1.25 -0.05 0.00 -0.26 0.00 0.00 64.21 62.65 3i3y n SER 140 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i3y h LEU 141 N -2.73 0.31 -1.00 1.04 5.85 -1.97 -0.11 115.31 116.69 3i3y h LEU 141 Ca -0.63 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 57.78 3i3y h LEU 141 Cb 1.34 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3i3y h LEU 141 CO 0.49 0.51 0.25 0.44 -0.34 0.00 0.00 178.44 179.79 3i3y h ASP 142 N 0.09 0.89 -0.00 1.25 5.19 -1.99 0.17 116.42 122.02 3i3y h ASP 142 Ca 0.06 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3i3y h ASP 142 Cb 0.34 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 3i3y h ASP 142 CO 0.01 0.80 -0.00 0.11 -3.12 0.00 0.00 179.24 177.03 3i3y h LYS 143 N 0.94 0.01 -0.19 3.56 1.79 -1.89 -1.81 116.57 118.97 3i3y h LYS 143 Ca 0.22 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.72 3i3y h LYS 143 Cb 0.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 3i3y h LYS 143 CO -0.02 0.49 -0.00 1.15 -1.08 0.00 0.00 179.45 179.99 3i3y h THR 144 N -0.48 0.86 -0.30 -0.16 2.02 -0.78 -1.89 112.91 112.19 3i3y h THR 144 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3i3y h THR 144 Cb 0.49 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3i3y h THR 144 CO 0.00 0.01 0.11 -0.09 0.37 0.00 0.00 175.52 175.92 3i3y h ARG 145 N 0.06 0.24 -0.96 6.66 2.43 -0.72 -1.71 114.38 120.38 3i3y h ARG 145 Ca 0.09 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 3i3y h ARG 145 Cb 0.11 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 3i3y h ARG 145 CO -0.16 0.16 0.61 0.00 -1.51 0.00 0.00 179.97 179.07 3i3y h ALA 146 N 1.19 1.68 -0.26 2.80 0.00 -0.99 -1.14 119.26 122.54 3i3y h ALA 146 Ca 0.13 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3i3y h ALA 146 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i3y h ALA 146 CO -0.13 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 178.89 3i3y h LEU 147 N 0.83 0.63 -1.04 0.00 -0.00 -0.53 -2.33 115.31 112.87 3i3y h LEU 147 Ca 0.49 -0.45 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 3i3y h LEU 147 Cb 0.66 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 3i3y h LEU 147 CO -0.26 0.95 0.01 -0.26 -0.00 0.00 0.00 178.44 178.88 3i3y h PHE 148 N 0.31 0.73 -0.35 1.13 0.05 -0.69 -1.36 116.94 116.77 3i3y h PHE 148 Ca 0.05 -0.09 -0.06 0.00 3.82 0.00 0.00 57.97 61.69 3i3y h PHE 148 Cb 0.75 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 3i3y h PHE 148 CO 0.07 0.68 -0.03 1.96 -0.18 0.00 0.00 178.31 180.81 3i3y h GLN 149 N 0.65 0.63 -0.30 1.51 4.20 -1.20 0.48 115.11 121.08 3i3y h GLN 149 Ca 0.13 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3i3y h GLN 149 Cb 0.40 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3i3y h GLN 149 CO 0.01 0.77 0.15 -0.92 -0.67 0.00 0.00 178.83 178.17 3i3y h TYR 150 N 0.43 0.28 0.62 2.96 3.20 -1.21 0.97 116.97 124.21 3i3y h TYR 150 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3i3y h TYR 150 Cb 0.50 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3i3y h TYR 150 CO 0.04 0.15 -0.47 0.00 -1.64 0.00 0.00 178.16 176.24 3i3y h ALA 151 N 1.16 -1.20 0.00 1.82 0.00 -0.89 -0.35 119.26 119.80 3i3y h ALA 151 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i3y h ALA 151 Cb 0.04 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i3y h ALA 151 CO -0.09 -1.19 0.17 0.54 0.00 0.00 0.00 179.25 178.68 3i3y n ARG 152 N -5.35 0.04 -0.00 0.00 5.12 0.16 -0.16 116.66 116.48 3i3y n ARG 152 Ca -0.13 0.46 0.13 0.00 -1.93 0.00 0.00 57.85 56.38 3i3y n ARG 152 Cb 0.46 -1.81 0.42 0.00 -1.16 0.00 0.00 32.46 30.36 3i3y n ARG 152 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i3y n SER 153 N -1.67 1.87 0.00 0.55 2.88 0.31 -4.11 113.62 113.45 3i3y n SER 153 Ca -0.00 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 3i3y n SER 153 Cb 0.18 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3i3y n SER 153 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i3y n ARG 154 N 0.47 0.78 -0.66 -1.46 1.74 0.78 -5.05 116.66 113.25 3i3y n ARG 154 Ca 0.18 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 3i3y n ARG 154 Cb 0.41 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.15 0.16 2.90 -0.13 0.00 -1.18 -2.05 105.19 104.74 3i3y n GLY 155 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.02 0.64 -0.22 2.61 2.01 0.40 -1.45 115.64 118.62 3i3y s THR 157 Ca 0.00 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 3i3y s THR 157 Cb 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 3i3y s THR 157 CO 0.00 0.26 0.15 0.42 -0.69 0.00 0.00 174.62 174.75 3i3y s THR 158 N 1.01 5.38 -0.11 -0.82 -4.23 -1.26 -0.83 115.64 114.78 3i3y s THR 158 Ca -0.09 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 3i3y s THR 158 Cb -0.14 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 3i3y s THR 158 CO -0.00 0.40 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.57 3i3y s VAL 159 N 0.66 2.23 -0.06 2.29 1.01 -0.31 -1.42 120.40 124.80 3i3y s VAL 159 Ca 0.08 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3i3y s VAL 159 Cb -0.12 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3i3y s VAL 159 CO 0.01 0.55 -0.18 0.12 0.00 0.00 0.00 175.10 175.60 3i3y s PHE 160 N 0.42 1.90 -0.45 5.22 5.36 0.11 -1.51 117.98 129.03 3i3y s PHE 160 Ca -0.16 -0.63 0.06 0.00 -0.96 0.00 0.00 56.93 55.24 3i3y s PHE 160 Cb -0.17 -1.29 0.21 0.00 -0.34 0.00 0.00 43.02 41.42 3i3y s PHE 160 CO 0.07 -0.24 0.46 -1.71 -1.46 0.00 0.00 175.22 172.33 3i3y n ASN 161 N 3.33 0.46 -3.63 6.13 5.15 -0.84 -0.38 115.26 125.48 3i3y n ASN 161 Ca -0.19 -2.66 -0.33 0.00 -0.60 0.00 0.00 54.58 50.80 3i3y n ASN 161 Cb 0.53 -0.61 -0.09 0.00 -0.53 0.00 0.00 39.78 39.07 3i3y n ASN 161 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i3y n PRO 162 N 2.05 0.00 -3.66 1.20 -0.04 -1.26 -3.11 135.00 130.18 3i3y n PRO 162 Ca 0.26 -0.73 -0.18 0.00 -0.04 0.00 0.00 63.50 62.81 3i3y n PRO 162 Cb 0.48 -2.10 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 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 5.91 0.89 0.48 3.54 0.15 -1.26 -3.10 113.70 120.30 3i3y s SER 163 Ca 0.50 0.24 -0.24 0.00 0.70 0.00 0.00 55.95 57.15 3i3y s SER 163 Cb 0.11 0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.55 3i3y s SER 163 CO 0.25 -0.25 1.38 -2.65 1.20 0.00 0.00 173.24 173.17 3i3y n PRO 164 N 5.32 2.01 -2.94 5.44 -0.02 -1.26 -1.05 135.00 142.51 3i3y n PRO 164 Ca -0.04 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 3i3y n PRO 164 Cb 0.50 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 3i3y n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i3y s VAL 165 N -1.23 4.81 -0.12 -1.45 0.11 -1.18 -4.40 120.40 116.93 3i3y s VAL 165 Ca 0.65 1.69 0.01 0.00 -2.93 0.00 0.00 61.98 61.39 3i3y s VAL 165 Cb -0.45 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.25 3i3y s VAL 165 CO 0.55 0.30 -0.16 0.21 -3.33 0.00 0.00 175.10 172.67 3i3y s ASN 166 N 0.30 3.74 0.44 3.54 3.84 -1.26 -5.03 114.94 120.51 3i3y s ASN 166 Ca 0.41 -0.40 0.14 0.00 0.21 0.00 0.00 52.86 53.23 3i3y s ASN 166 Cb -0.20 -1.55 1.05 0.00 -0.55 0.00 0.00 41.25 40.00 3i3y s ASN 166 CO 0.23 0.16 1.99 -0.65 -2.79 0.00 0.00 177.10 176.04 3i3y h PRO 167 N 6.70 0.37 0.00 0.43 0.11 -1.99 -1.72 132.00 135.90 3i3y h PRO 167 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i3y h PRO 167 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i3y h PRO 167 CO 0.53 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 3i3y n ASP 168 N -4.47 0.00 0.10 -2.05 9.92 -1.26 -2.40 116.55 116.39 3i3y n ASP 168 Ca 0.09 0.18 0.07 0.00 -0.53 0.00 0.00 54.79 54.60 3i3y n ASP 168 Cb 0.37 -0.38 0.37 0.00 -0.64 0.00 0.00 41.12 40.84 3i3y n ASP 168 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i3y n PHE 169 N -1.38 0.46 0.08 1.24 0.99 -0.65 -1.77 117.46 116.42 3i3y n PHE 169 Ca 0.10 0.23 0.21 0.00 -0.00 0.00 0.00 57.45 57.99 3i3y n PHE 169 Cb 0.25 -0.87 0.73 0.00 -1.00 0.00 0.00 39.48 38.59 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 -3.68 0.00 0.37 0.00 8.25 -0.73 -4.40 115.22 115.03 3i3y n HIS 171 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.66 3i3y n HIS 171 Cb 0.66 -0.16 0.19 0.00 1.12 0.00 0.00 29.99 31.80 3i3y n HIS 171 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3i3y h LEU 172 N 0.64 0.00 -0.93 2.41 3.38 -1.56 -3.40 115.31 115.85 3i3y h LEU 172 Ca 0.00 -0.05 0.37 0.00 0.09 0.00 0.00 57.88 58.30 3i3y h LEU 172 Cb 0.52 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.10 3i3y h LEU 172 CO 0.00 0.02 0.45 0.79 0.09 0.00 0.00 178.44 179.79 3i3y n TRP 173 N -2.59 1.03 0.31 1.13 5.03 -1.26 0.51 117.44 121.59 3i3y n TRP 173 Ca 0.03 1.10 0.18 0.00 3.03 0.00 0.00 57.50 61.84 3i3y n TRP 173 Cb 0.49 -1.47 1.00 0.00 -1.03 0.00 0.00 31.31 30.30 3i3y n TRP 173 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 3i3y h PRO 174 N 0.00 0.00 -0.01 -0.99 0.11 -1.86 -1.57 132.00 127.69 3i3y h PRO 174 Ca 0.76 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.87 3i3y h PRO 174 Cb 1.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.09 3i3y h PRO 174 CO -0.73 0.02 -0.18 1.28 -0.21 0.00 0.00 178.00 178.18 3i3y n LEU 175 N -3.47 1.03 -4.66 2.35 4.77 0.18 -4.90 117.00 112.31 3i3y n LEU 175 Ca -0.03 -0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.33 3i3y n LEU 175 Cb 0.11 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3i3y n LEU 175 CO 0.25 0.19 -0.27 -0.63 -1.33 0.00 0.00 177.39 175.59 3i3y s ILE 176 N -2.38 4.60 -0.19 -0.08 1.01 -0.59 -4.73 121.20 118.83 3i3y s ILE 176 Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 3i3y s ILE 176 Cb 0.20 -3.02 -0.21 0.00 0.01 0.00 0.00 42.46 39.44 3i3y s ILE 176 CO 0.47 0.53 0.08 0.47 0.00 0.00 0.00 174.94 176.49 3i3y n ASP 177 N 2.95 2.04 -3.99 3.58 8.00 -0.65 -4.52 116.55 123.95 3i3y n ASP 177 Ca -0.18 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 3i3y n ASP 177 Cb 0.53 -0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 40.75 3i3y n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3y s ILE 178 N -2.52 1.45 -0.14 0.53 1.01 -0.51 -2.22 121.20 118.80 3i3y s ILE 178 Ca -0.29 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3i3y s ILE 178 Cb 0.08 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3i3y s ILE 178 CO 0.67 0.44 -0.10 0.00 0.00 0.00 0.00 174.94 175.94 3i3y s ALA 179 N 1.53 2.73 -0.21 9.38 0.00 -0.80 -0.72 121.76 133.67 3i3y s ALA 179 Ca 0.05 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 3i3y s ALA 179 Cb -0.13 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.70 3i3y s ALA 179 CO -0.10 0.22 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 3i3y s VAL 180 N 0.38 2.48 0.02 0.00 1.01 0.49 -1.05 120.40 123.73 3i3y s VAL 180 Ca -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 3i3y s VAL 180 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3i3y s VAL 180 CO 0.05 0.38 0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3i3y s VAL 181 N 1.31 0.12 0.27 2.92 1.01 0.42 -4.20 120.40 122.25 3i3y s VAL 181 Ca 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3i3y s VAL 181 Cb -0.15 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.64 3i3y s VAL 181 CO -0.09 -0.55 0.37 -0.46 0.00 0.00 0.00 175.10 174.37 3i3y n ASN 182 N 1.13 0.57 0.06 3.32 0.23 -1.26 0.12 115.26 119.44 3i3y n ASN 182 Ca -0.21 -1.46 -0.04 0.00 -0.53 0.00 0.00 54.58 52.33 3i3y n ASN 182 Cb 0.57 -0.23 -0.02 0.00 -2.08 0.00 0.00 39.78 38.02 3i3y n ASN 182 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3i3y h GLU 183 N 0.00 -0.22 -0.82 -3.83 5.08 -1.90 0.57 114.58 113.46 3i3y h GLU 183 Ca -0.12 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.42 3i3y h GLU 183 Cb 0.47 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 3i3y h GLU 183 CO 0.14 -0.14 0.35 0.66 -1.00 0.00 0.00 179.01 179.02 3i3y h SER 184 N -0.22 0.34 0.10 1.42 4.64 -1.93 0.23 113.55 118.13 3i3y h SER 184 Ca -0.01 0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3i3y h SER 184 Cb 0.20 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3i3y h SER 184 CO -0.02 0.09 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.39 3i3y h GLU 185 N 0.47 0.32 -0.22 4.77 5.08 -1.78 -3.01 114.58 120.20 3i3y h GLU 185 Ca 0.47 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 3i3y h GLU 185 Cb 0.77 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3i3y h GLU 185 CO -0.44 0.61 0.08 0.00 -1.00 0.00 0.00 179.01 178.26 3i3y h ALA 186 N 1.39 0.29 -2.69 3.43 0.00 0.12 -3.38 119.26 118.42 3i3y h ALA 186 Ca 0.04 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 3i3y h ALA 186 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3i3y h ALA 186 CO 0.05 -0.10 0.25 -2.00 0.00 0.00 0.00 179.25 177.45 3i3y s GLU 187 N -5.49 4.65 0.05 0.00 2.12 -0.74 -2.45 118.70 116.84 3i3y s GLU 187 Ca -0.14 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.47 3i3y s GLU 187 Cb 0.08 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.16 3i3y s GLU 187 CO 0.72 0.44 0.00 1.47 -0.54 0.00 0.00 175.26 177.34 3i3y n LEU 188 N 2.03 -5.15 0.00 2.70 -0.00 -1.26 -4.61 117.00 110.71 3i3y n LEU 188 Ca -0.03 2.10 0.00 0.00 -0.00 0.00 0.00 56.01 58.08 3i3y n LEU 188 Cb 0.49 -2.56 0.00 0.00 -0.00 0.00 0.00 43.42 41.34 3i3y n LEU 188 CO 0.48 -1.81 0.00 0.18 -0.00 0.00 0.00 177.39 176.24 3i3y n LEU 189 N 1.30 0.00 -2.97 1.47 7.99 -1.26 -4.61 117.00 118.93 3i3y n LEU 189 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 3i3y n LEU 189 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i3y n LEU 189 CO 0.00 0.00 -0.13 1.67 -1.51 0.00 0.00 177.39 177.42 3i3y n GLN 190 N 0.00 -0.77 -1.71 3.23 -0.06 -1.03 -4.66 117.38 112.38 3i3y n GLN 190 Ca 0.00 0.41 -0.40 0.00 -2.00 0.00 0.00 57.00 55.01 3i3y n GLN 190 Cb 0.00 -1.03 0.02 0.00 -4.06 0.00 0.00 30.24 25.17 3i3y n GLN 190 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3i3y n PRO 191 N -1.28 1.80 -3.76 3.69 -0.04 -1.26 -5.01 135.00 129.14 3i3y n PRO 191 Ca -0.14 0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 63.86 3i3y n PRO 191 Cb 0.33 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 31.30 3i3y n PRO 191 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3i3y s TYR 192 N -1.25 -0.10 0.00 0.54 -0.85 -1.26 -4.91 117.35 109.52 3i3y s TYR 192 Ca 0.65 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 57.17 3i3y s TYR 192 Cb -0.48 0.08 0.00 0.00 0.38 0.00 0.00 41.96 41.95 3i3y s TYR 192 CO 0.55 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 174.51 3i3y n GLY 193 N 0.66 0.12 3.72 5.49 0.00 -1.26 -4.76 105.19 109.16 3i3y n GLY 193 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.25 4.78 0.46 1.61 1.01 -1.26 -4.93 120.40 120.82 3i3y s VAL 194 Ca 0.00 1.92 0.28 0.00 0.00 0.00 0.00 61.98 64.19 3i3y s VAL 194 Cb 0.00 -4.26 0.31 0.00 0.00 0.00 0.00 36.38 32.44 3i3y s VAL 194 CO 0.00 0.24 2.12 0.11 0.00 0.00 0.00 175.10 177.57 3i3y h LYS 195 N 6.34 0.00 -3.37 2.72 1.57 -1.77 -3.40 116.57 118.66 3i3y h LYS 195 Ca -0.42 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.03 3i3y h LYS 195 Cb 1.21 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.15 3i3y h LYS 195 CO 0.74 0.09 -0.73 0.99 -0.57 0.00 0.00 179.45 179.97 3i3y s THR 196 N -4.29 -0.10 -0.15 -0.16 2.01 -0.94 -4.55 115.64 107.46 3i3y s THR 196 Ca -0.03 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3i3y s THR 196 Cb 0.14 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.53 3i3y s THR 196 CO 0.57 0.14 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.24 3i3y s LEU 197 N 1.74 1.92 -0.20 4.42 2.96 0.15 -1.90 118.68 127.77 3i3y s LEU 197 Ca -0.01 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3i3y s LEU 197 Cb -0.12 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.26 3i3y s LEU 197 CO -0.03 0.01 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.21 3i3y s VAL 198 N 1.15 2.80 -0.37 1.68 1.01 -0.21 0.12 120.40 126.56 3i3y s VAL 198 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3i3y s VAL 198 Cb -0.14 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.06 3i3y s VAL 198 CO -0.07 0.47 0.16 -0.63 0.00 0.00 0.00 175.10 175.04 3i3y s ILE 199 N 1.40 3.82 0.12 2.22 1.01 -0.26 -0.43 121.20 129.07 3i3y s ILE 199 Ca 0.05 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.04 3i3y s ILE 199 Cb -0.14 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 3i3y s ILE 199 CO -0.08 -0.35 1.15 -0.89 0.00 0.00 0.00 174.94 174.77 3i3y s THR 200 N 1.37 3.97 -0.05 2.92 2.01 0.33 -1.26 115.64 124.93 3i3y s THR 200 Ca 0.01 1.54 0.12 0.00 0.31 0.00 0.00 61.69 63.67 3i3y s THR 200 Cb -0.21 -3.98 0.23 0.00 0.01 0.00 0.00 72.50 68.54 3i3y s THR 200 CO 0.01 0.19 1.10 0.00 -0.69 0.00 0.00 174.62 175.24 3i3y n GLN 201 N 3.15 0.45 0.00 4.92 6.02 -0.04 -3.02 117.38 128.86 3i3y n GLN 201 Ca 0.06 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 3i3y n GLN 201 Cb 0.46 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.29 3.36 0.28 1.08 0.00 -1.19 -0.69 105.19 107.75 3i3y n GLY 202 Ca 0.07 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.55 1.66 -0.06 4.61 0.00 -1.99 -1.27 119.26 121.67 3i3y h ALA 203 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i3y h ALA 203 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i3y h ALA 203 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3i3y n ALA 204 N -2.40 2.54 0.00 0.00 0.00 0.14 -4.19 120.51 116.60 3i3y n ALA 204 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i3y n ALA 204 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.40 -1.73 3.35 0.00 0.00 -0.48 -4.76 105.19 101.97 3i3y n GLY 205 Ca 0.02 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.39 -1.15 -0.03 4.61 0.00 -0.44 -0.86 121.76 122.49 3i3y s ALA 206 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3i3y s ALA 206 Cb 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3i3y s ALA 206 CO 0.00 -0.33 -0.07 -1.58 0.00 0.00 0.00 175.76 173.77 3i3y s TRP 207 N -1.50 2.90 -0.22 0.00 0.52 -0.39 -0.28 118.94 119.97 3i3y s TRP 207 Ca -0.11 -0.02 -0.03 0.00 0.02 0.00 0.00 56.10 55.96 3i3y s TRP 207 Cb -0.03 -1.66 0.00 0.00 -1.15 0.00 0.00 33.47 30.64 3i3y s TRP 207 CO 0.05 0.34 -0.06 -1.17 0.02 0.00 0.00 176.95 176.14 3i3y s LEU 208 N -1.10 2.90 0.08 2.99 2.96 0.20 -1.10 118.68 125.60 3i3y s LEU 208 Ca 0.15 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3i3y s LEU 208 Cb -0.11 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3i3y s LEU 208 CO 0.04 -0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.21 3i3y s VAL 209 N 1.44 1.06 0.00 1.68 1.01 0.33 -0.66 120.40 125.26 3i3y s VAL 209 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.63 3i3y s VAL 209 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3i3y s VAL 209 CO -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 175.10 174.74 3i3y n GLN 210 N 1.07 0.00 -1.85 2.72 3.00 -0.89 0.33 117.38 121.76 3i3y n GLN 210 Ca -0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.76 3i3y n GLN 210 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.79 3i3y n GLN 210 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3i3y n GLU 211 N -0.50 -0.29 0.00 -1.09 4.71 -1.26 -3.65 120.64 118.56 3i3y n GLU 211 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 3i3y n GLU 211 Cb 0.00 -3.97 0.00 0.00 -1.01 0.00 0.00 31.44 26.46 3i3y n GLU 211 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i3y n GLY 212 N -1.35 2.14 2.86 0.62 0.00 -1.26 -5.01 105.19 103.18 3i3y n GLY 212 Ca -0.04 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 3i3y n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3y n GLN 213 N 0.00 0.00 -3.77 1.61 10.64 -1.24 -5.00 117.38 119.62 3i3y n GLN 213 Ca 0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 3i3y n GLN 213 Cb 0.00 -0.84 -0.17 0.00 -0.86 0.00 0.00 30.24 28.37 3i3y n GLN 213 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3i3y s ARG 214 N -0.84 0.76 -0.08 2.61 0.52 -1.26 -2.09 118.95 118.57 3i3y s ARG 214 Ca 0.54 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 3i3y s ARG 214 Cb -0.77 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 32.89 3i3y s ARG 214 CO 0.48 -0.52 -0.18 -0.65 0.02 0.00 0.00 175.30 174.44 3i3y s GLN 215 N 1.85 2.32 -0.08 3.54 -0.21 0.17 -4.97 119.66 122.28 3i3y s GLN 215 Ca 0.01 -0.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 3i3y s GLN 215 Cb -0.16 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 3i3y s GLN 215 CO -0.07 0.12 -0.01 0.12 -2.12 0.00 0.00 175.29 173.32 3i3y s PHE 216 N 0.46 3.11 -0.23 0.91 5.36 -1.26 0.58 117.98 126.91 3i3y s PHE 216 Ca -0.16 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3i3y s PHE 216 Cb -0.16 -1.77 0.06 0.00 -0.34 0.00 0.00 43.02 40.81 3i3y s PHE 216 CO 0.06 0.44 -0.03 0.00 -1.46 0.00 0.00 175.22 174.23 3i3y s PRO 218 N 1.47 2.63 0.78 0.00 0.04 -1.26 -1.32 135.00 137.34 3i3y s PRO 218 Ca -0.04 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 3i3y s PRO 218 Cb -0.18 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.56 3i3y s PRO 218 CO -0.07 -1.48 1.13 0.00 0.04 0.00 0.00 177.00 176.62 3i3y s ALA 219 N -1.69 2.80 -0.47 8.56 0.00 -1.26 -4.84 121.76 124.86 3i3y s ALA 219 Ca 0.77 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 3i3y s ALA 219 Cb -0.31 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.02 3i3y s ALA 219 CO 0.38 -1.60 0.91 0.08 0.00 0.00 0.00 175.76 175.53 3i3y s VAL 220 N -3.49 4.49 0.73 0.00 1.01 -1.26 -4.95 120.40 116.93 3i3y s VAL 220 Ca 0.62 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 3i3y s VAL 220 Cb -0.10 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.88 3i3y s VAL 220 CO 0.48 -0.86 1.18 -2.16 0.00 0.00 0.00 175.10 173.73 3i3y s PRO 221 N 3.72 2.18 0.00 2.72 0.04 -1.26 -4.77 135.00 137.62 3i3y s PRO 221 Ca 0.35 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3i3y s PRO 221 Cb -0.11 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3i3y s PRO 221 CO 0.25 -1.78 0.00 0.00 0.04 0.00 0.00 177.00 175.51 3i3y n ALA 222 N -2.83 0.00 0.00 8.56 0.00 -1.26 -5.12 120.51 119.86 3i3y n ALA 222 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i3y n ALA 222 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i3y n ALA 222 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i3y n GLU 223 N 0.00 0.00 -1.68 0.00 1.02 -1.26 -5.10 120.64 113.62 3i3y n GLU 223 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 3i3y n GLU 223 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3i3y n GLU 223 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3y n ALA 224 N 0.36 1.06 -0.08 0.62 0.00 -1.26 -4.87 120.51 116.33 3i3y n ALA 224 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.65 3i3y n ALA 224 Cb 0.00 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.09 3i3y n ALA 224 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i3y n LEU 225 N 1.10 2.31 -3.19 0.00 7.94 0.31 -4.84 117.00 120.62 3i3y n LEU 225 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3i3y n LEU 225 Cb 0.35 -0.68 -0.02 0.00 0.53 0.00 0.00 43.42 43.60 3i3y n LEU 225 CO 0.62 0.82 0.05 -0.62 -1.11 0.00 0.00 177.39 177.15 3i3y s ASP 226 N -6.47 -1.08 0.29 1.96 2.15 -0.83 -4.95 116.67 107.74 3i3y s ASP 226 Ca -0.26 0.01 0.16 0.00 0.43 0.00 0.00 52.55 52.89 3i3y s ASP 226 Cb 0.08 1.78 0.87 0.00 -0.30 0.00 0.00 42.92 45.34 3i3y s ASP 226 CO 0.69 -0.31 1.44 0.41 -0.17 0.00 0.00 175.17 177.22 3i3y n THR 227 N 5.38 0.94 -1.63 1.71 -1.04 -1.26 -4.31 114.28 114.06 3i3y n THR 227 Ca 0.04 0.71 -0.52 0.00 -2.04 0.00 0.00 64.05 62.24 3i3y n THR 227 Cb 0.53 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 3i3y n THR 227 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i3y n THR 228 N -2.08 0.09 -1.11 12.58 -1.04 -1.26 -2.16 114.28 119.30 3i3y n THR 228 Ca -0.01 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 3i3y n THR 228 Cb 0.15 -1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 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 3.08 0.63 0.13 3.41 0.00 -1.26 -4.72 105.19 106.46 3i3y n GLY 229 Ca 0.20 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.23 0.11 4.61 0.00 -1.78 -2.03 119.26 120.40 3i3y h ALA 230 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i3y h ALA 230 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3i3y h ALA 230 CO 0.11 0.01 -0.11 0.78 0.00 0.00 0.00 179.25 180.04 3i3y h GLY 231 N 0.03 -0.23 2.00 0.00 0.00 -1.91 0.29 103.07 103.24 3i3y h GLY 231 Ca 0.04 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i3y h GLY 231 CO 0.02 -0.12 -0.01 1.29 0.00 0.00 0.00 176.54 177.72 3i3y h ASP 232 N -0.25 0.00 -0.22 0.19 3.04 -1.94 -1.17 116.42 116.08 3i3y h ASP 232 Ca 0.01 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.64 3i3y h ASP 232 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 3i3y h ASP 232 CO -0.04 0.01 -0.48 0.74 -2.04 0.00 0.00 179.24 177.44 3i3y h THR 233 N 0.00 1.31 0.14 1.15 2.02 -1.03 -1.82 112.91 114.67 3i3y h THR 233 Ca -0.00 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3i3y h THR 233 Cb 0.66 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3i3y h THR 233 CO 0.00 0.53 -0.07 0.15 0.37 0.00 0.00 175.52 176.51 3i3y h PHE 234 N 0.42 -0.17 -0.08 3.16 3.57 -0.43 -1.78 116.94 121.62 3i3y h PHE 234 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i3y h PHE 234 Cb 1.09 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 3i3y h PHE 234 CO 0.09 -0.07 0.05 1.25 -2.23 0.00 0.00 178.31 177.40 3i3y h LEU 235 N -0.23 0.09 0.17 0.59 6.46 -1.25 -3.22 115.31 117.92 3i3y h LEU 235 Ca -0.02 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3i3y h LEU 235 Cb 0.18 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 3i3y h LEU 235 CO 0.03 0.07 -0.08 0.00 -0.62 0.00 0.00 178.44 177.84 3i3y h ALA 236 N 1.03 -0.23 0.00 1.25 0.00 -1.30 -1.91 119.26 118.11 3i3y h ALA 236 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i3y h ALA 236 Cb -0.01 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i3y h ALA 236 CO -0.01 -0.62 0.00 0.28 0.00 0.00 0.00 179.25 178.90 3i3y n VAL 237 N -5.18 0.28 0.00 0.00 0.31 -0.67 -1.15 118.33 111.92 3i3y n VAL 237 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3i3y n VAL 237 Cb 0.12 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 1.16 0.00 -0.21 7.52 7.94 -0.72 -0.92 117.00 131.78 3i3y n LEU 239 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3i3y n LEU 239 Cb 0.11 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.13 3i3y n LEU 239 CO 0.00 0.00 1.09 0.00 -1.11 0.00 0.00 177.39 177.37 3i3y h ALA 240 N 0.00 0.79 0.07 1.96 0.00 -1.40 0.13 119.26 120.81 3i3y h ALA 240 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i3y h ALA 240 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3i3y h ALA 240 CO 0.00 0.06 -0.14 1.03 0.00 0.00 0.00 179.25 180.20 3i3y h SER 241 N 0.68 -0.39 -0.47 0.00 0.87 -1.28 0.40 113.55 113.35 3i3y h SER 241 Ca 0.26 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3i3y h SER 241 Cb 0.08 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3i3y h SER 241 CO -0.13 -0.21 0.08 0.00 -0.53 0.00 0.00 176.83 176.04 3i3y h ALA 242 N 0.62 1.14 -0.25 6.23 0.00 -1.75 -2.17 119.26 123.08 3i3y h ALA 242 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i3y h ALA 242 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i3y h ALA 242 CO -0.09 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.07 3i3y h LEU 243 N 0.81 0.34 -1.31 0.00 5.85 -0.15 -0.95 115.31 119.90 3i3y h LEU 243 Ca 0.17 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3i3y h LEU 243 Cb 0.37 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3i3y h LEU 243 CO 0.01 0.42 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.23 3i3y h LEU 244 N 0.25 0.18 -2.91 2.25 3.38 0.01 -2.53 115.31 115.94 3i3y h LEU 244 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i3y h LEU 244 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i3y h LEU 244 CO -0.01 0.41 0.00 0.54 0.09 0.00 0.00 178.44 179.48 3i3y n ARG 245 N -4.20 3.53 -4.02 1.13 1.74 -0.84 -4.97 116.66 109.04 3i3y n ARG 245 Ca -0.01 -2.67 -0.31 0.00 -0.77 0.00 0.00 57.85 54.09 3i3y n ARG 245 Cb 0.33 -1.85 -0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 1.11 -0.41 3.34 -0.13 0.00 -0.59 -4.98 105.19 103.53 3i3y n GLY 246 Ca 0.24 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 3i3y n GLY 246 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3y s VAL 247 N -3.45 0.22 0.57 1.61 -7.23 -0.47 -5.04 120.40 106.61 3i3y s VAL 247 Ca 0.51 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 3i3y s VAL 247 Cb -0.27 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3i3y s VAL 247 CO 0.88 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 176.63 3i3y s ALA 248 N -3.50 3.17 0.08 1.32 0.00 -1.26 -4.39 121.76 117.18 3i3y s ALA 248 Ca 0.35 -0.14 -0.35 0.00 0.00 0.00 0.00 51.96 51.82 3i3y s ALA 248 Cb 0.03 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.03 3i3y s ALA 248 CO 0.21 -0.54 1.52 -0.35 0.00 0.00 0.00 175.76 176.60 3i3y n PRO 249 N -2.44 1.70 -1.96 0.00 -0.04 -1.26 -4.88 135.00 126.11 3i3y n PRO 249 Ca 0.05 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3i3y n PRO 249 Cb 0.54 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3i3y n PRO 249 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i3y n ASP 250 N 3.49 1.25 -0.25 3.54 5.68 -1.26 -5.01 116.55 123.99 3i3y n ASP 250 Ca 0.19 -0.98 -0.06 0.00 -0.50 0.00 0.00 54.79 53.44 3i3y n ASP 250 Cb 0.24 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.27 3i3y n ASP 250 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3y h ALA 251 N 1.00 0.88 -0.27 2.12 0.00 -1.99 -2.44 119.26 118.56 3i3y h ALA 251 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3i3y h ALA 251 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3i3y h ALA 251 CO 0.00 0.38 -0.13 1.25 0.00 0.00 0.00 179.25 180.75 3i3y h LEU 252 N 0.94 0.44 -1.08 0.00 5.85 -1.99 -2.24 115.31 117.23 3i3y h LEU 252 Ca 0.24 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3i3y h LEU 252 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3i3y h LEU 252 CO -0.04 0.60 0.11 0.00 -0.34 0.00 0.00 178.44 178.77 3i3y h ALA 253 N 1.44 1.26 -0.14 1.25 0.00 -1.83 -2.13 119.26 119.12 3i3y h ALA 253 Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3i3y h ALA 253 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i3y h ALA 253 CO 0.03 0.52 -0.65 -0.07 0.00 0.00 0.00 179.25 179.07 3i3y h LEU 254 N 0.74 0.61 -0.59 0.00 4.07 -1.16 -2.29 115.31 116.69 3i3y h LEU 254 Ca 0.16 -0.36 -0.13 0.00 0.08 0.00 0.00 57.88 57.63 3i3y h LEU 254 Cb 0.29 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 3i3y h LEU 254 CO -0.00 1.10 -0.30 0.00 -1.08 0.00 0.00 178.44 178.16 3i3y h ALA 255 N 0.90 0.77 -0.23 1.53 0.00 -1.22 -0.22 119.26 120.81 3i3y h ALA 255 Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3i3y h ALA 255 Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i3y h ALA 255 CO 0.12 0.65 0.08 0.45 0.00 0.00 0.00 179.25 180.55 3i3y h HIS 256 N 0.68 0.35 -0.60 0.00 3.86 -1.38 -0.60 115.15 117.46 3i3y h HIS 256 Ca 0.08 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3i3y h HIS 256 Cb 0.84 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 3i3y h HIS 256 CO 0.05 0.40 0.37 0.00 0.86 0.00 0.00 177.93 179.61 3i3y h ALA 257 N 0.92 1.54 -0.20 2.45 0.00 -1.26 0.09 119.26 122.79 3i3y h ALA 257 Ca 0.07 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3i3y h ALA 257 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i3y h ALA 257 CO -0.00 0.41 -0.43 0.77 0.00 0.00 0.00 179.25 180.00 3i3y h SER 258 N 0.81 0.51 -0.36 0.00 0.02 -0.69 -0.91 113.55 112.93 3i3y h SER 258 Ca 0.22 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 3i3y h SER 258 Cb -0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3i3y h SER 258 CO -0.04 0.87 -0.29 -0.09 -1.14 0.00 0.00 176.83 176.14 3i3y h ARG 259 N 0.39 0.84 -0.25 3.45 2.43 -0.07 -2.73 114.38 118.44 3i3y h ARG 259 Ca 0.03 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 3i3y h ARG 259 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3i3y h ARG 259 CO 0.08 1.05 0.03 0.00 -1.51 0.00 0.00 179.97 179.62 3i3y h ALA 260 N 0.76 0.34 -0.13 2.80 0.00 -0.79 -2.94 119.26 119.30 3i3y h ALA 260 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i3y h ALA 260 Cb 0.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3i3y h ALA 260 CO 0.08 0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.37 3i3y h ALA 261 N 0.85 1.78 -0.78 0.00 0.00 -1.18 -1.33 119.26 118.59 3i3y h ALA 261 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i3y h ALA 261 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i3y h ALA 261 CO 0.01 0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.78 3i3y h ALA 262 N 1.83 1.14 0.38 0.00 0.00 -1.30 -1.37 119.26 119.94 3i3y h ALA 262 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3i3y h ALA 262 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i3y h ALA 262 CO 0.00 0.64 -0.18 0.82 0.00 0.00 0.00 179.25 180.53 3i3y h ILE 263 N 1.12 0.62 -0.64 0.00 2.04 -1.19 -2.93 117.51 116.52 3i3y h ILE 263 Ca 0.27 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.87 3i3y h ILE 263 Cb 0.15 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 3i3y h ILE 263 CO -0.03 0.07 0.17 0.74 0.00 0.00 0.00 178.15 179.10 3i3y h THR 264 N -0.73 0.63 0.00 -0.27 2.02 -1.24 -1.62 112.91 111.71 3i3y h THR 264 Ca -0.05 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3i3y h THR 264 Cb 0.51 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3i3y h THR 264 CO 0.09 0.05 0.00 0.52 0.37 0.00 0.00 175.52 176.55 3i3y n VAL 265 N -5.10 0.79 1.10 3.16 0.31 -0.53 -2.63 118.33 115.43 3i3y n VAL 265 Ca 0.10 0.16 0.13 0.00 -0.01 0.00 0.00 64.34 64.72 3i3y n VAL 265 Cb 0.35 -1.01 0.33 0.00 -0.91 0.00 0.00 33.84 32.61 3i3y n VAL 265 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i3y n SER 266 N -1.99 0.62 -4.39 4.52 3.41 -0.61 -0.53 113.62 114.64 3i3y n SER 266 Ca 0.03 -0.41 -0.27 0.00 -0.26 0.00 0.00 58.87 57.96 3i3y n SER 266 Cb 0.24 0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.82 1.43 0.22 4.33 0.52 -1.08 -4.74 118.95 116.81 3i3y s ARG 267 Ca 0.16 -1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 53.71 3i3y s ARG 267 Cb 0.18 -1.77 -0.08 0.00 0.52 0.00 0.00 34.95 33.80 3i3y s ARG 267 CO 0.62 0.39 0.78 0.50 0.02 0.00 0.00 175.30 177.61 3i3y s ARG 268 N -2.46 4.41 0.66 3.54 3.52 -1.26 -4.40 118.95 122.96 3i3y s ARG 268 Ca 0.17 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 3i3y s ARG 268 Cb -0.08 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 3i3y s ARG 268 CO 0.08 0.44 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 3i3y n GLY 269 N 0.99 -1.78 0.00 8.12 0.00 -1.26 -4.15 105.19 107.11 3i3y n GLY 269 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3i3y n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i3y n THR 270 N 0.00 0.00 -0.47 2.61 -2.24 -1.26 -4.51 114.28 108.41 3i3y n THR 270 Ca 0.00 0.00 0.39 0.00 -2.27 0.00 0.00 64.05 62.17 3i3y n THR 270 Cb 0.00 -0.02 0.70 0.00 -2.10 0.00 0.00 70.33 68.92 3i3y n THR 270 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i3y h LEU 271 N 0.00 0.15 -0.83 3.22 4.07 -1.94 1.26 115.31 121.25 3i3y h LEU 271 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3i3y h LEU 271 Cb 0.00 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3i3y h LEU 271 CO 0.00 -0.06 -0.28 -1.54 -1.08 0.00 0.00 178.44 175.48 3i3y n SER 272 N -4.37 1.57 -0.09 -0.43 3.41 -1.26 -4.31 113.62 108.13 3i3y n SER 272 Ca 0.35 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.60 3i3y n SER 272 Cb 1.48 0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 65.55 3i3y n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3y n ALA 273 N -0.19 1.59 -0.66 7.33 0.00 0.42 -4.93 120.51 124.06 3i3y n ALA 273 Ca 0.12 -0.95 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 3i3y n ALA 273 Cb 0.41 -0.03 0.18 0.00 0.00 0.00 0.00 19.45 20.01 3i3y n ALA 273 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i3y n PHE 274 N -2.84 -0.83 -2.43 0.00 3.72 -0.26 -4.14 117.46 110.69 3i3y n PHE 274 Ca -0.31 0.16 -0.37 0.00 -0.05 0.00 0.00 57.45 56.88 3i3y n PHE 274 Cb 0.95 -1.77 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 3i3y n PHE 274 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3i3y s PRO 275 N -4.02 4.11 0.84 -1.08 0.04 -1.26 -4.88 135.00 128.75 3i3y s PRO 275 Ca 0.62 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 3i3y s PRO 275 Cb -0.21 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 31.83 3i3y s PRO 275 CO 0.64 -0.22 1.21 0.20 0.04 0.00 0.00 177.00 178.87 3i3y s GLY 276 N -1.36 1.63 0.21 0.56 0.00 -1.26 -4.79 107.32 102.31 3i3y s GLY 276 Ca 0.57 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 44.45 3i3y s GLY 276 CO 0.33 -0.21 1.79 1.76 0.00 0.00 0.00 173.10 176.77 3i3y h SER 277 N -1.18 0.45 -0.24 1.64 0.02 -1.96 0.53 113.55 112.81 3i3y h SER 277 Ca -0.46 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 3i3y h SER 277 Cb 1.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3i3y h SER 277 CO 0.61 0.28 -0.22 0.03 -1.14 0.00 0.00 176.83 176.39 3i3y h ARG 278 N 0.59 0.70 -0.63 3.45 3.08 -1.93 0.75 114.38 120.40 3i3y h ARG 278 Ca 0.31 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3i3y h ARG 278 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3i3y h ARG 278 CO -0.22 0.86 0.07 0.93 -1.07 0.00 0.00 179.97 180.54 3i3y h GLU 279 N 0.62 1.05 -0.08 0.04 5.08 -1.76 -1.19 114.58 118.34 3i3y h GLU 279 Ca 0.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3i3y h GLU 279 Cb 0.70 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3i3y h GLU 279 CO 0.05 0.99 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.98 3i3y h LEU 280 N 0.98 0.15 -0.68 1.33 3.38 -0.60 -2.05 115.31 117.82 3i3y h LEU 280 Ca 0.19 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.95 3i3y h LEU 280 Cb 0.47 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3i3y h LEU 280 CO 0.02 0.43 0.29 0.00 0.09 0.00 0.00 178.44 179.26 3i3y h ALA 281 N 0.72 0.93 -0.34 1.53 0.00 -0.68 0.36 119.26 121.79 3i3y h ALA 281 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i3y h ALA 281 Cb 0.36 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i3y h ALA 281 CO 0.00 -0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.31 3i3y h ALA 282 N 1.46 0.43 0.00 0.00 0.00 -1.03 -2.26 119.26 117.87 3i3y h ALA 282 Ca 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3i3y h ALA 282 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i3y h ALA 282 CO -0.33 -0.09 -0.47 1.37 0.00 0.00 0.00 179.25 179.73 3i3y h LEU 283 N 0.45 0.00 -0.15 0.00 8.10 -0.97 -3.16 115.31 119.57 3i3y h LEU 283 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.11 3i3y h LEU 283 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.19 3i3y h LEU 283 CO -0.02 0.47 0.00 0.18 -4.11 0.00 0.00 178.44 174.95 3i3y n LEU 284 N -3.25 0.78 -0.24 0.17 4.77 0.08 -4.93 117.00 114.39 3i3y n LEU 284 Ca 0.02 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 3i3y n LEU 284 Cb 0.70 -0.38 0.74 0.00 -2.33 0.00 0.00 43.42 42.16 3i3y n LEU 284 CO 0.40 -0.26 0.99 1.07 -1.33 0.00 0.00 177.39 178.26