#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8h s TYR 21 N 0.00 2.16 -0.10 4.78 2.02 -0.99 -4.97 117.35 120.24 3d8h s TYR 21 Ca 0.00 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3d8h s TYR 21 Cb 0.00 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.61 3d8h s TYR 21 CO 0.00 0.57 0.02 0.21 -1.57 0.00 0.00 175.55 174.78 3d8h s LYS 22 N -3.23 0.53 -0.10 -0.62 2.20 -1.26 -0.48 119.74 116.78 3d8h s LYS 22 Ca 0.25 -0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 3d8h s LYS 22 Cb -0.05 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 3d8h s LYS 22 CO 0.12 -0.41 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.30 3d8h s LEU 23 N 1.97 2.04 -0.16 5.43 2.96 0.10 -4.44 118.68 126.57 3d8h s LEU 23 Ca 0.03 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 3d8h s LEU 23 Cb -0.14 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3d8h s LEU 23 CO -0.06 0.14 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.22 3d8h s THR 24 N 0.40 4.19 0.06 3.68 2.01 -1.00 -0.00 115.64 124.98 3d8h s THR 24 Ca -0.18 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.64 3d8h s THR 24 Cb -0.18 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3d8h s THR 24 CO 0.08 0.49 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.56 3d8h s LEU 25 N 0.28 2.65 -0.11 4.42 1.43 0.49 -0.47 118.68 127.36 3d8h s LEU 25 Ca -0.01 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3d8h s LEU 25 Cb -0.13 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.59 3d8h s LEU 25 CO 0.02 0.23 0.27 -0.51 0.23 0.00 0.00 176.35 176.60 3d8h s ILE 26 N -0.99 -0.02 -0.00 -0.59 2.07 -0.04 -0.74 121.20 120.88 3d8h s ILE 26 Ca 0.16 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3d8h s ILE 26 Cb -0.11 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3d8h s ILE 26 CO 0.07 0.03 0.16 -0.60 -1.91 0.00 0.00 174.94 172.69 3d8h s ARG 27 N 0.73 3.35 0.79 3.50 3.52 -1.26 -1.00 118.95 128.58 3d8h s ARG 27 Ca -0.05 -0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.08 3d8h s ARG 27 Cb -0.06 -3.04 0.07 0.00 -1.56 0.00 0.00 34.95 30.36 3d8h s ARG 27 CO -0.05 0.67 1.11 -3.38 -0.81 0.00 0.00 175.30 172.84 3d8h s HIS 28 N -1.30 2.38 0.03 5.12 -3.43 -1.14 0.29 115.29 117.24 3d8h s HIS 28 Ca 0.27 1.60 -0.01 0.00 -0.80 0.00 0.00 55.06 56.12 3d8h s HIS 28 Cb -0.12 -3.13 0.01 0.00 -1.43 0.00 0.00 32.58 27.90 3d8h s HIS 28 CO 0.18 -2.01 0.03 0.41 -2.00 0.00 0.00 174.74 171.35 3d8h n GLY 29 N -0.81 -2.02 3.76 -1.38 0.00 -1.26 -3.71 105.19 99.77 3d8h n GLY 29 Ca 0.10 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 3d8h n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d8h s GLU 30 N -3.07 3.60 0.48 1.61 -1.05 -1.26 -4.85 118.70 114.16 3d8h s GLU 30 Ca 0.02 2.11 0.08 0.00 -0.15 0.00 0.00 54.97 57.03 3d8h s GLU 30 Cb -0.00 -2.48 0.03 0.00 -0.44 0.00 0.00 34.13 31.24 3d8h s GLU 30 CO 0.02 -0.78 0.62 -1.54 0.95 0.00 0.00 175.26 174.52 3d8h s SER 31 N -0.96 5.36 0.09 0.83 1.04 -1.26 -1.49 113.70 117.31 3d8h s SER 31 Ca 0.64 -0.64 0.12 0.00 0.48 0.00 0.00 55.95 56.55 3d8h s SER 31 Cb -0.37 -0.27 0.56 0.00 0.10 0.00 0.00 66.02 66.05 3d8h s SER 31 CO 0.45 -0.97 1.39 -1.84 0.98 0.00 0.00 173.24 173.26 3d8h n GLU 32 N -1.95 0.05 -0.00 4.02 0.28 -0.37 -2.41 120.64 120.27 3d8h n GLU 32 Ca 0.10 0.41 0.07 0.00 -0.16 0.00 0.00 57.16 57.58 3d8h n GLU 32 Cb 0.60 -1.63 -0.09 0.00 1.43 0.00 0.00 31.44 31.76 3d8h n GLU 32 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3d8h n TRP 33 N -1.74 0.00 -0.16 -1.84 7.02 -1.26 -4.16 117.44 115.31 3d8h n TRP 33 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 3d8h n TRP 33 Cb 0.11 -0.07 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3d8h n TRP 33 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3d8h h ASN 34 N 0.00 0.77 -0.60 -0.99 -0.26 -1.74 -0.66 115.58 112.11 3d8h h ASN 34 Ca 0.00 -0.29 -0.09 0.00 -0.56 0.00 0.00 56.30 55.37 3d8h h ASN 34 Cb 0.40 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3d8h h ASN 34 CO 0.00 0.87 0.03 0.07 -1.06 0.00 0.00 177.43 177.34 3d8h h LYS 35 N 0.66 1.04 0.00 0.81 -0.00 -1.78 -2.86 116.57 114.44 3d8h h LYS 35 Ca 0.14 -0.32 0.00 0.00 -0.00 0.00 0.00 60.65 60.47 3d8h h LYS 35 Cb 0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.58 3d8h h LYS 35 CO 0.02 1.01 0.00 0.39 -0.00 0.00 0.00 179.45 180.87 3d8h n GLU 36 N -4.22 0.43 -3.52 0.07 1.02 -1.11 -4.87 120.64 108.43 3d8h n GLU 36 Ca 0.03 0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 56.97 3d8h n GLU 36 Cb 0.33 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3d8h n GLU 36 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3d8h n ASN 37 N -1.13 -5.89 -4.66 1.62 5.15 -0.86 -4.82 115.26 104.68 3d8h n ASN 37 Ca 0.11 -0.52 -0.35 0.00 -0.60 0.00 0.00 54.58 53.22 3d8h n ASN 37 Cb 0.10 -4.68 -0.10 0.00 -0.53 0.00 0.00 39.78 34.57 3d8h n ASN 37 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3d8h s ARG 38 N -6.23 3.13 0.05 1.20 0.52 -0.31 -2.27 118.95 115.04 3d8h s ARG 38 Ca 0.53 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 55.03 3d8h s ARG 38 Cb -0.24 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 3d8h s ARG 38 CO 0.66 0.62 1.57 -0.06 0.02 0.00 0.00 175.30 178.11 3d8h s PHE 39 N -0.66 2.58 -0.08 -0.53 0.08 -0.99 -4.64 117.98 113.73 3d8h s PHE 39 Ca 0.11 0.49 -0.08 0.00 0.12 0.00 0.00 56.93 57.57 3d8h s PHE 39 Cb -0.12 -3.86 -0.03 0.00 -0.57 0.00 0.00 43.02 38.44 3d8h s PHE 39 CO 0.02 -3.39 -0.16 2.41 -0.10 0.00 0.00 175.22 174.01 3d8h n THR 40 N 4.69 0.72 0.00 0.64 -1.04 -1.26 -1.20 114.28 116.82 3d8h n THR 40 Ca 0.15 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 3d8h n THR 40 Cb 0.41 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 3d8h n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d8h n GLY 41 N 1.62 4.25 0.14 3.41 0.00 -1.26 -2.15 105.19 111.20 3d8h n GLY 41 Ca -0.06 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3d8h n GLY 41 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3d8h n TRP 42 N 14.00 0.00 -1.65 1.61 7.02 -1.26 -4.67 117.44 132.49 3d8h n TRP 42 Ca 0.00 0.00 -0.47 0.00 -1.02 0.00 0.00 57.50 56.01 3d8h n TRP 42 Cb 0.00 -0.19 -0.04 0.00 -2.42 0.00 0.00 31.31 28.66 3d8h n TRP 42 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3d8h n THR 43 N -0.94 0.21 -2.81 -0.99 -1.04 -0.91 -4.84 114.28 102.96 3d8h n THR 43 Ca 0.12 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 3d8h n THR 43 Cb 0.31 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3d8h n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3d8h n ASP 44 N 2.98 5.40 -4.94 8.00 2.03 -1.26 -4.98 116.55 123.78 3d8h n ASP 44 Ca 0.16 -3.10 -0.25 0.00 0.52 0.00 0.00 54.79 52.13 3d8h n ASP 44 Cb 0.27 -1.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.18 3d8h n ASP 44 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3d8h s VAL 45 N 0.09 5.22 0.55 5.18 0.11 -1.26 -4.88 120.40 125.40 3d8h s VAL 45 Ca 0.38 -0.59 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 3d8h s VAL 45 Cb 0.01 -3.79 -0.06 0.00 -1.53 0.00 0.00 36.38 31.01 3d8h s VAL 45 CO 0.01 -0.28 0.98 -0.44 -3.33 0.00 0.00 175.10 172.04 3d8h s SER 46 N -3.55 6.45 0.63 3.54 0.01 -1.26 -3.93 113.70 115.59 3d8h s SER 46 Ca 0.37 1.46 -0.18 0.00 1.31 0.00 0.00 55.95 58.91 3d8h s SER 46 Cb -0.10 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 3d8h s SER 46 CO 0.30 -0.69 1.26 -0.76 0.41 0.00 0.00 173.24 173.76 3d8h s LEU 47 N -4.53 3.59 0.80 2.44 1.43 -1.26 -1.23 118.68 119.92 3d8h s LEU 47 Ca 0.56 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 56.07 3d8h s LEU 47 Cb -0.10 -4.61 0.08 0.00 0.03 0.00 0.00 46.19 41.59 3d8h s LEU 47 CO 0.41 -1.87 1.16 -0.94 0.23 0.00 0.00 176.35 175.34 3d8h s SER 48 N -1.51 4.49 0.26 2.29 1.04 -0.55 -4.39 113.70 115.32 3d8h s SER 48 Ca 0.80 0.69 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 3d8h s SER 48 Cb -0.34 -1.19 0.39 0.00 0.10 0.00 0.00 66.02 64.98 3d8h s SER 48 CO 0.37 -1.89 1.86 -0.33 0.98 0.00 0.00 173.24 174.23 3d8h h GLU 49 N -1.00 1.01 -0.37 4.02 5.08 -1.95 -1.51 114.58 119.86 3d8h h GLU 49 Ca -0.46 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 3d8h h GLU 49 Cb 1.32 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3d8h h GLU 49 CO 0.63 0.67 -0.14 0.37 -1.00 0.00 0.00 179.01 179.54 3d8h h GLN 50 N 1.04 0.66 -0.84 2.33 5.75 -1.93 -2.47 115.11 119.64 3d8h h GLN 50 Ca 0.41 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3d8h h GLN 50 Cb 0.22 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 3d8h h GLN 50 CO -0.19 0.78 0.50 0.78 -2.65 0.00 0.00 178.83 178.05 3d8h h GLY 51 N 0.97 1.23 0.98 2.39 0.00 -1.36 -0.30 103.07 106.98 3d8h h GLY 51 Ca 0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3d8h h GLY 51 CO 0.04 0.50 0.20 -2.08 0.00 0.00 0.00 176.54 175.20 3d8h h VAL 52 N 1.16 1.11 -0.36 4.60 2.07 -1.19 -2.24 116.25 121.41 3d8h h VAL 52 Ca 0.30 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3d8h h VAL 52 Cb -0.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3d8h h VAL 52 CO -0.06 0.11 -0.06 0.77 0.02 0.00 0.00 177.57 178.36 3d8h h SER 53 N 0.43 0.57 -0.47 0.57 4.64 -1.05 -1.46 113.55 116.78 3d8h h SER 53 Ca 0.12 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3d8h h SER 53 Cb 0.01 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3d8h h SER 53 CO -0.02 0.68 0.21 -0.33 -0.87 0.00 0.00 176.83 176.50 3d8h h GLU 54 N 0.56 0.68 -0.96 4.77 5.08 -0.98 -1.85 114.58 121.87 3d8h h GLU 54 Ca 0.11 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3d8h h GLU 54 Cb 0.44 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3d8h h GLU 54 CO 0.02 0.59 0.62 0.00 -1.00 0.00 0.00 179.01 179.24 3d8h h ALA 55 N 1.06 1.32 -0.69 3.43 0.00 -0.98 -0.37 119.26 123.03 3d8h h ALA 55 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3d8h h ALA 55 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3d8h h ALA 55 CO -0.02 0.43 0.21 0.82 0.00 0.00 0.00 179.25 180.69 3d8h h ILE 56 N 1.14 1.26 -0.22 0.00 2.04 -0.98 -0.58 117.51 120.17 3d8h h ILE 56 Ca 0.41 -0.89 -0.19 0.00 1.00 0.00 0.00 64.86 65.19 3d8h h ILE 56 Cb 0.13 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3d8h h ILE 56 CO -0.16 0.34 -0.61 -0.33 0.00 0.00 0.00 178.15 177.40 3d8h h GLU 57 N 1.01 0.74 -0.31 2.37 4.39 -0.95 -2.17 114.58 119.66 3d8h h GLU 57 Ca 0.22 -0.51 0.03 0.00 0.34 0.00 0.00 59.36 59.45 3d8h h GLU 57 Cb 0.31 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3d8h h GLU 57 CO -0.01 1.13 0.11 0.00 -1.16 0.00 0.00 179.01 179.09 3d8h h ALA 58 N 0.75 0.36 -0.34 3.43 0.00 -0.86 0.21 119.26 122.81 3d8h h ALA 58 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3d8h h ALA 58 Cb 1.20 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3d8h h ALA 58 CO 0.13 -0.28 -0.06 0.78 0.00 0.00 0.00 179.25 179.82 3d8h h GLY 59 N 0.25 0.28 1.24 0.00 0.00 -1.05 -0.93 103.07 102.86 3d8h h GLY 59 Ca 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3d8h h GLY 59 CO -0.13 -0.11 0.10 3.21 0.00 0.00 0.00 176.54 179.61 3d8h h ARG 60 N 0.03 0.94 -0.56 4.80 3.08 -1.09 0.03 114.38 121.60 3d8h h ARG 60 Ca 0.17 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3d8h h ARG 60 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3d8h h ARG 60 CO -0.33 0.87 0.35 1.98 -1.07 0.00 0.00 179.97 181.77 3d8h h MET 61 N 0.89 0.76 -0.58 0.04 4.05 -0.59 -0.82 114.93 118.67 3d8h h MET 61 Ca 0.18 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 3d8h h MET 61 Cb 0.38 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3d8h h MET 61 CO 0.01 0.53 -0.04 -0.07 0.23 0.00 0.00 176.91 177.57 3d8h h LEU 62 N 0.76 1.03 -0.08 3.39 3.38 -0.84 -2.02 115.31 120.94 3d8h h LEU 62 Ca 0.20 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3d8h h LEU 62 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3d8h h LEU 62 CO -0.04 1.10 0.03 0.25 0.09 0.00 0.00 178.44 179.87 3d8h h LEU 63 N 0.95 0.03 -1.19 1.67 5.85 -0.73 -1.89 115.31 119.99 3d8h h LEU 63 Ca 0.16 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3d8h h LEU 63 Cb 0.60 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3d8h h LEU 63 CO 0.04 0.03 0.57 -0.08 -0.34 0.00 0.00 178.44 178.66 3d8h h GLU 64 N 0.07 0.93 -0.17 1.25 4.81 -1.06 -1.73 114.58 118.67 3d8h h GLU 64 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3d8h h GLU 64 Cb 0.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3d8h h GLU 64 CO -0.04 0.61 0.00 1.63 -0.73 0.00 0.00 179.01 180.49 3d8h n LYS 65 N -4.50 1.48 -2.20 1.92 4.76 -0.77 -4.92 118.16 113.93 3d8h n LYS 65 Ca 0.14 -0.74 -0.06 0.00 -2.87 0.00 0.00 58.31 54.78 3d8h n LYS 65 Cb 0.23 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 3d8h n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d8h n GLY 66 N 0.90 0.17 3.80 0.72 0.00 -0.65 -5.02 105.19 105.11 3d8h n GLY 66 Ca 0.10 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3d8h n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d8h s PHE 67 N -2.40 3.83 -0.09 1.61 0.40 -0.75 -5.05 117.98 115.53 3d8h s PHE 67 Ca 0.02 1.42 -0.04 0.00 -0.60 0.00 0.00 56.93 57.73 3d8h s PHE 67 Cb -0.01 -2.61 0.04 0.00 0.51 0.00 0.00 43.02 40.95 3d8h s PHE 67 CO 0.03 0.54 0.21 0.21 0.70 0.00 0.00 175.22 176.90 3d8h s LYS 68 N -1.21 0.15 0.05 0.44 2.20 -1.26 -4.71 119.74 115.40 3d8h s LYS 68 Ca 0.33 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 3d8h s LYS 68 Cb -0.21 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 3d8h s LYS 68 CO 0.22 -0.18 0.08 -0.06 -0.36 0.00 0.00 175.35 175.05 3d8h s PHE 69 N 1.37 3.23 -0.11 4.03 0.40 -1.26 -4.77 117.98 120.87 3d8h s PHE 69 Ca -0.08 0.12 0.20 0.00 -0.60 0.00 0.00 56.93 56.57 3d8h s PHE 69 Cb -0.11 -1.66 -0.27 0.00 0.51 0.00 0.00 43.02 41.49 3d8h s PHE 69 CO -0.07 0.53 0.38 -0.25 0.70 0.00 0.00 175.22 176.50 3d8h n ASP 70 N 0.66 0.13 -3.64 1.36 8.00 0.60 -4.83 116.55 118.83 3d8h n ASP 70 Ca -0.10 0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 3d8h n ASP 70 Cb 0.52 1.35 -0.08 0.00 -0.02 0.00 0.00 41.12 42.89 3d8h n ASP 70 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3d8h s VAL 71 N -3.04 0.02 -0.08 2.53 0.11 -1.15 -4.18 120.40 114.61 3d8h s VAL 71 Ca -0.08 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 3d8h s VAL 71 Cb 0.10 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3d8h s VAL 71 CO 0.86 -0.07 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.64 3d8h s VAL 72 N -0.75 2.15 -0.19 2.04 1.01 -0.29 -2.31 120.40 122.06 3d8h s VAL 72 Ca -0.08 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 3d8h s VAL 72 Cb -0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3d8h s VAL 72 CO 0.05 0.56 0.07 -0.31 0.00 0.00 0.00 175.10 175.48 3d8h s TYR 73 N 0.05 3.27 0.34 5.22 1.51 -0.03 -0.87 117.35 126.84 3d8h s TYR 73 Ca -0.10 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 3d8h s TYR 73 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 3d8h s TYR 73 CO 0.06 0.15 0.28 -2.37 -1.11 0.00 0.00 175.55 172.56 3d8h n THR 74 N 3.61 0.00 -2.13 -0.71 5.66 -0.17 -0.31 114.28 120.22 3d8h n THR 74 Ca -0.16 -2.49 -0.05 0.00 -3.05 0.00 0.00 64.05 58.30 3d8h n THR 74 Cb 0.52 1.23 0.03 0.00 -1.55 0.00 0.00 70.33 70.55 3d8h n THR 74 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3d8h n SER 75 N -1.65 0.22 -1.31 1.09 3.41 -1.25 -1.05 113.62 113.09 3d8h n SER 75 Ca 0.07 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.60 3d8h n SER 75 Cb 0.62 -0.13 0.31 0.00 -0.26 0.00 0.00 64.21 64.75 3d8h n SER 75 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3d8h n VAL 76 N -1.77 0.94 -3.35 -3.33 0.24 -1.24 -3.90 118.33 105.93 3d8h n VAL 76 Ca 0.03 -0.95 -0.39 0.00 -2.04 0.00 0.00 64.34 61.00 3d8h n VAL 76 Cb 0.11 0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 3d8h n VAL 76 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3d8h s LEU 77 N -1.01 4.11 0.52 1.34 1.43 -1.26 -4.97 118.68 118.84 3d8h s LEU 77 Ca 0.47 0.49 0.26 0.00 -1.03 0.00 0.00 54.13 54.33 3d8h s LEU 77 Cb 0.25 -2.54 1.38 0.00 0.03 0.00 0.00 46.19 45.31 3d8h s LEU 77 CO 0.32 -0.15 1.95 0.07 0.23 0.00 0.00 176.35 178.78 3d8h h LYS 78 N 7.65 0.05 -0.20 1.70 2.10 -1.90 -1.26 116.57 124.72 3d8h h LYS 78 Ca -0.34 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.25 3d8h h LYS 78 Cb 1.16 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 3d8h h LYS 78 CO 0.70 0.03 -0.15 0.07 -2.00 0.00 0.00 179.45 178.11 3d8h h ARG 79 N 0.05 0.32 0.18 0.07 0.11 -1.93 0.22 114.38 113.41 3d8h h ARG 79 Ca 0.33 -0.08 -0.31 0.00 0.10 0.00 0.00 59.98 60.01 3d8h h ARG 79 Cb 1.24 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 32.30 3d8h h ARG 79 CO -0.02 0.47 -1.44 0.00 0.10 0.00 0.00 179.97 179.09 3d8h h ALA 80 N 1.55 0.03 -0.31 0.08 0.00 -1.57 -2.80 119.26 116.24 3d8h h ALA 80 Ca 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 3d8h h ALA 80 Cb 0.44 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3d8h h ALA 80 CO 0.03 0.90 0.08 0.82 0.00 0.00 0.00 179.25 181.08 3d8h h ILE 81 N 0.11 1.21 -0.82 0.00 2.04 -1.19 -0.86 117.51 118.00 3d8h h ILE 81 Ca -0.22 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3d8h h ILE 81 Cb 2.07 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 3d8h h ILE 81 CO 0.22 0.24 0.46 -0.03 0.00 0.00 0.00 178.15 179.04 3d8h h MET 82 N 0.33 1.14 -0.58 2.37 4.05 -0.69 -0.54 114.93 121.01 3d8h h MET 82 Ca 0.10 -0.12 0.09 0.00 -0.28 0.00 0.00 59.70 59.48 3d8h h MET 82 Cb 0.28 -0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 30.79 3d8h h MET 82 CO -0.00 0.83 0.22 1.15 0.23 0.00 0.00 176.91 179.34 3d8h h THR 83 N 1.14 0.80 -0.00 -0.77 2.02 -1.27 -0.75 112.91 114.07 3d8h h THR 83 Ca 0.29 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3d8h h THR 83 Cb 0.01 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3d8h h THR 83 CO -0.05 0.07 0.00 0.74 0.37 0.00 0.00 175.52 176.66 3d8h h THR 84 N 0.41 1.08 -1.00 3.16 2.02 -0.49 -0.58 112.91 117.51 3d8h h THR 84 Ca 0.29 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3d8h h THR 84 Cb 0.34 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3d8h h THR 84 CO -0.28 0.06 0.66 -0.50 0.37 0.00 0.00 175.52 175.82 3d8h h TRP 85 N -0.10 1.23 -0.25 3.16 4.06 -0.88 -0.73 115.95 122.45 3d8h h TRP 85 Ca 0.00 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 3d8h h TRP 85 Cb 0.10 -0.41 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 3d8h h TRP 85 CO -0.04 0.70 -0.13 1.15 -3.56 0.00 0.00 178.44 176.55 3d8h h THR 86 N 1.26 1.30 -0.46 1.49 2.02 -0.89 -1.74 112.91 115.88 3d8h h THR 86 Ca 0.40 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3d8h h THR 86 Cb 0.03 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3d8h h THR 86 CO -0.13 0.38 0.25 0.58 0.37 0.00 0.00 175.52 176.97 3d8h h VAL 87 N 0.25 1.17 -0.72 3.16 2.07 -0.83 -2.58 116.25 118.76 3d8h h VAL 87 Ca 0.05 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3d8h h VAL 87 Cb 0.64 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3d8h h VAL 87 CO 0.04 0.17 0.24 -0.07 0.02 0.00 0.00 177.57 177.98 3d8h h LEU 88 N 0.60 1.04 -0.30 2.57 3.38 -1.07 -0.44 115.31 121.09 3d8h h LEU 88 Ca 0.16 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3d8h h LEU 88 Cb 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3d8h h LEU 88 CO -0.03 0.96 -0.05 0.50 0.09 0.00 0.00 178.44 179.92 3d8h h LYS 89 N 1.06 0.03 0.00 1.13 3.64 -1.22 -0.80 116.57 120.41 3d8h h LYS 89 Ca 0.24 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3d8h h LYS 89 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3d8h h LYS 89 CO -0.01 0.02 -0.33 0.93 -2.27 0.00 0.00 179.45 177.79 3d8h h GLU 90 N 0.03 0.00 0.00 1.90 4.39 -1.05 -1.18 114.58 118.67 3d8h h GLU 90 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3d8h h GLU 90 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3d8h h GLU 90 CO -0.28 0.33 0.00 1.28 -1.16 0.00 0.00 179.01 179.17 3d8h n LEU 91 N -4.08 0.00 -3.64 1.33 4.77 -0.21 -4.68 117.00 110.48 3d8h n LEU 91 Ca -0.02 0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 3d8h n LEU 91 Cb 0.37 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3d8h n LEU 91 CO 0.38 -0.05 0.02 0.61 -1.33 0.00 0.00 177.39 177.02 3d8h n GLY 92 N 1.10 -0.34 1.91 -0.72 0.00 -0.45 -4.92 105.19 101.78 3d8h n GLY 92 Ca 0.09 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.25 3d8h n GLY 92 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3d8h n ASN 93 N -3.05 0.79 0.12 1.61 4.05 -0.39 -4.89 115.26 113.49 3d8h n ASN 93 Ca -0.24 -2.02 0.11 0.00 0.45 0.00 0.00 54.58 52.88 3d8h n ASN 93 Cb 0.65 -0.22 0.48 0.00 1.23 0.00 0.00 39.78 41.92 3d8h n ASN 93 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3d8h n ILE 94 N -0.01 0.87 0.52 -1.44 -5.35 -1.23 -1.42 119.36 111.31 3d8h n ILE 94 Ca 0.01 0.27 0.10 0.00 -0.27 0.00 0.00 62.75 62.86 3d8h n ILE 94 Cb 0.98 -1.19 0.41 0.00 -1.74 0.00 0.00 39.64 38.10 3d8h n ILE 94 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3d8h n ASN 95 N -2.16 0.30 -4.69 7.28 3.02 -1.26 -4.83 115.26 112.91 3d8h n ASN 95 Ca 0.02 0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 3d8h n ASN 95 Cb 0.21 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3d8h n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d8h n PRO 97 N 5.57 2.49 -5.22 0.00 -0.02 -1.26 -4.86 135.00 131.70 3d8h n PRO 97 Ca 0.17 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 62.22 3d8h n PRO 97 Cb 0.38 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.07 3d8h n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d8h s ILE 98 N -0.06 2.08 -0.20 4.25 1.01 -1.26 -1.14 121.20 125.88 3d8h s ILE 98 Ca 0.65 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3d8h s ILE 98 Cb -0.54 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3d8h s ILE 98 CO 0.49 0.56 -0.14 -0.63 0.00 0.00 0.00 174.94 175.22 3d8h s ILE 99 N 0.27 2.44 0.08 2.92 1.01 -0.05 -4.98 121.20 122.89 3d8h s ILE 99 Ca -0.17 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 3d8h s ILE 99 Cb -0.17 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 3d8h s ILE 99 CO 0.08 0.43 0.42 0.20 0.00 0.00 0.00 174.94 176.08 3d8h s ASN 100 N 1.32 6.68 -0.25 3.58 0.01 -1.26 -1.00 114.94 124.02 3d8h s ASN 100 Ca 0.04 0.84 -0.21 0.00 -0.71 0.00 0.00 52.86 52.82 3d8h s ASN 100 Cb -0.14 -2.20 0.07 0.00 0.41 0.00 0.00 41.25 39.39 3d8h s ASN 100 CO -0.09 0.18 0.65 -2.28 -1.51 0.00 0.00 177.10 174.04 3d8h s HIS 101 N -1.38 -0.79 0.58 2.20 2.46 -0.21 -4.89 115.29 113.26 3d8h s HIS 101 Ca 0.33 1.82 0.27 0.00 0.47 0.00 0.00 55.06 57.94 3d8h s HIS 101 Cb -0.14 0.33 1.63 0.00 -0.13 0.00 0.00 32.58 34.27 3d8h s HIS 101 CO 0.18 -0.38 2.14 0.11 -2.47 0.00 0.00 174.74 174.32 3d8h h TRP 102 N 5.60 0.00 0.00 3.88 5.08 -1.89 -1.97 115.95 126.65 3d8h h TRP 102 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 3d8h h TRP 102 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 3d8h h TRP 102 CO 0.31 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.01 3d8h n ARG 103 N -3.96 0.16 -0.14 0.12 1.74 -1.26 -0.69 116.66 112.63 3d8h n ARG 103 Ca 0.00 0.56 0.12 0.00 -0.77 0.00 0.00 57.85 57.76 3d8h n ARG 103 Cb 0.24 -1.92 0.20 0.00 -1.02 0.00 0.00 32.46 29.97 3d8h n ARG 103 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d8h n LEU 104 N -2.23 3.24 -4.70 0.55 4.77 -0.74 -4.28 117.00 113.62 3d8h n LEU 104 Ca -0.00 -1.32 -0.39 0.00 -0.03 0.00 0.00 56.01 54.27 3d8h n LEU 104 Cb 0.10 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3d8h n LEU 104 CO 0.13 0.66 0.82 0.59 -1.33 0.00 0.00 177.39 178.27 3d8h n ASN 105 N 1.39 2.01 -4.49 -1.43 4.13 0.14 -4.36 115.26 112.63 3d8h n ASN 105 Ca 0.18 0.93 -0.38 0.00 1.68 0.00 0.00 54.58 56.99 3d8h n ASN 105 Cb 0.59 -1.51 0.04 0.00 -1.54 0.00 0.00 39.78 37.37 3d8h n ASN 105 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3d8h n GLU 106 N -0.97 0.54 -1.64 3.52 4.07 -1.26 -4.44 120.64 120.46 3d8h n GLU 106 Ca 0.12 0.22 -0.45 0.00 -0.06 0.00 0.00 57.16 56.98 3d8h n GLU 106 Cb 0.45 -1.80 -0.03 0.00 -0.06 0.00 0.00 31.44 30.00 3d8h n GLU 106 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3d8h n ARG 107 N -0.33 1.76 -2.52 5.31 0.63 -1.26 -4.59 116.66 115.66 3d8h n ARG 107 Ca 0.12 0.63 -0.40 0.00 -0.92 0.00 0.00 57.85 57.28 3d8h n ARG 107 Cb 0.48 -2.21 -0.05 0.00 0.45 0.00 0.00 32.46 31.13 3d8h n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3d8h s HIS 108 N -0.29 3.62 -0.92 -0.14 5.65 -1.26 -4.30 115.29 117.65 3d8h s HIS 108 Ca 0.67 1.73 0.10 0.00 0.25 0.00 0.00 55.06 57.82 3d8h s HIS 108 Cb -0.70 -3.22 0.29 0.00 -1.18 0.00 0.00 32.58 27.77 3d8h s HIS 108 CO 0.52 -0.39 1.23 0.66 -0.65 0.00 0.00 174.74 176.12 3d8h n TYR 109 N 1.13 0.44 -0.88 3.88 4.01 -1.26 -2.91 117.16 121.57 3d8h n TYR 109 Ca -0.01 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 3d8h n TYR 109 Cb 0.45 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3d8h n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d8h n GLY 110 N 0.49 3.32 0.17 2.72 0.00 -1.26 -2.06 105.19 108.57 3d8h n GLY 110 Ca 0.11 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3d8h n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8h h ALA 111 N -0.85 1.00 0.00 4.61 0.00 -1.19 -2.68 119.26 120.15 3d8h h ALA 111 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d8h h ALA 111 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d8h h ALA 111 CO 0.00 0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.11 3d8h h LEU 112 N 0.00 0.00 -9.60 0.00 3.38 -1.70 -3.46 115.31 103.93 3d8h h LEU 112 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3d8h h LEU 112 Cb 0.29 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.09 3d8h h LEU 112 CO 0.00 0.07 1.04 0.00 0.09 0.00 0.00 178.44 179.63 3d8h n GLN 113 N -3.19 2.76 -0.58 1.13 6.02 -1.01 -2.45 117.38 120.06 3d8h n GLN 113 Ca 0.01 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 3d8h n GLN 113 Cb 0.36 -2.86 0.00 0.00 1.02 0.00 0.00 30.24 28.76 3d8h n GLN 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d8h n GLY 114 N 4.03 0.78 3.66 1.08 0.00 -0.34 -5.02 105.19 109.37 3d8h n GLY 114 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3d8h n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d8h s LEU 115 N 0.00 3.41 0.65 0.99 1.02 -1.02 -4.93 118.68 118.80 3d8h s LEU 115 Ca 0.00 -0.05 -0.17 0.00 0.02 0.00 0.00 54.13 53.93 3d8h s LEU 115 Cb 0.00 -1.96 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 3d8h s LEU 115 CO 0.00 0.28 1.20 0.20 0.02 0.00 0.00 176.35 178.05 3d8h s ASN 116 N -1.52 4.79 0.41 2.29 0.02 -1.26 -2.36 114.94 117.30 3d8h s ASN 116 Ca 0.19 2.36 0.20 0.00 -1.02 0.00 0.00 52.86 54.58 3d8h s ASN 116 Cb -0.11 -2.59 1.14 0.00 0.02 0.00 0.00 41.25 39.70 3d8h s ASN 116 CO 0.09 -1.87 1.77 0.50 0.02 0.00 0.00 177.10 177.62 3d8h h LYS 117 N 0.36 0.35 0.09 -0.60 3.64 -1.77 0.16 116.57 118.80 3d8h h LYS 117 Ca -0.49 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.60 3d8h h LYS 117 Cb 1.30 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3d8h h LYS 117 CO 0.53 0.23 -1.15 1.03 -2.27 0.00 0.00 179.45 177.82 3d8h h SER 118 N 0.36 0.55 0.68 4.20 0.87 -1.91 -3.05 113.55 115.25 3d8h h SER 118 Ca 0.59 -0.52 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 3d8h h SER 118 Cb 1.56 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.33 3d8h h SER 118 CO -0.28 1.36 -0.70 -0.33 -0.53 0.00 0.00 176.83 176.36 3d8h h GLU 119 N 0.16 0.01 -0.05 2.24 5.08 -1.52 -2.64 114.58 117.86 3d8h h GLU 119 Ca -0.13 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 3d8h h GLU 119 Cb 1.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 3d8h h GLU 119 CO 0.20 0.70 -0.78 1.79 -1.00 0.00 0.00 179.01 179.92 3d8h h THR 120 N 0.01 1.40 0.00 1.13 1.35 -0.86 -2.48 112.91 113.46 3d8h h THR 120 Ca -0.01 -2.27 -0.04 0.00 -0.55 0.00 0.00 66.41 63.55 3d8h h THR 120 Cb 1.23 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 3d8h h THR 120 CO 0.09 0.68 -0.17 0.00 -0.25 0.00 0.00 175.52 175.87 3d8h h ALA 121 N 0.93 1.43 0.00 6.62 0.00 -1.40 -0.96 119.26 125.88 3d8h h ALA 121 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3d8h h ALA 121 Cb 1.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3d8h h ALA 121 CO 0.13 0.21 -0.36 1.03 0.00 0.00 0.00 179.25 180.26 3d8h h SER 122 N 0.00 0.00 -0.12 0.00 0.87 -1.38 -3.35 113.55 109.56 3d8h h SER 122 Ca -0.00 -0.49 -0.20 0.00 -1.23 0.00 0.00 61.79 59.87 3d8h h SER 122 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3d8h h SER 122 CO 0.02 0.95 -0.65 0.11 -0.53 0.00 0.00 176.83 176.73 3d8h h LYS 123 N -1.00 0.74 -5.52 2.24 1.57 -1.50 -3.46 116.57 109.63 3d8h h LYS 123 Ca -0.08 -0.53 -0.64 0.00 -1.87 0.00 0.00 60.65 57.53 3d8h h LYS 123 Cb 0.74 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.02 3d8h h LYS 123 CO -0.05 1.15 -0.52 -0.06 -0.57 0.00 0.00 179.45 179.41 3d8h s PHE 124 N -3.92 2.15 0.08 -1.35 0.08 -0.37 -5.09 117.98 109.56 3d8h s PHE 124 Ca -0.09 -0.80 -0.31 0.00 0.12 0.00 0.00 56.93 55.85 3d8h s PHE 124 Cb 0.10 -1.75 -0.08 0.00 -0.57 0.00 0.00 43.02 40.72 3d8h s PHE 124 CO 0.88 0.22 1.58 0.20 -0.10 0.00 0.00 175.22 178.00 3d8h s GLY 125 N -3.87 1.63 0.44 4.36 0.00 -1.26 -4.31 107.32 104.31 3d8h s GLY 125 Ca 0.23 1.18 0.12 0.00 0.00 0.00 0.00 44.72 46.25 3d8h s GLY 125 CO 0.12 2.75 2.03 -2.09 0.00 0.00 0.00 173.10 175.92 3d8h h GLU 126 N 7.91 0.39 0.21 2.90 4.81 -1.81 -1.26 114.58 127.73 3d8h h GLU 126 Ca -0.42 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.46 3d8h h GLU 126 Cb 1.20 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.51 3d8h h GLU 126 CO 0.92 0.26 -1.49 -0.44 -0.73 0.00 0.00 179.01 177.53 3d8h h ASP 127 N 0.40 0.69 1.52 1.04 3.32 -1.94 -3.27 116.42 118.19 3d8h h ASP 127 Ca 0.20 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3d8h h ASP 127 Cb 0.29 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3d8h h ASP 127 CO -0.05 1.63 0.00 0.06 -1.72 0.00 0.00 179.24 179.16 3d8h h GLN 128 N 0.12 0.00 -0.41 3.56 3.07 -1.87 -2.10 115.11 117.48 3d8h h GLN 128 Ca -0.25 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.40 3d8h h GLN 128 Cb 2.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.66 3d8h h GLN 128 CO 0.24 0.00 -0.11 0.28 0.09 0.00 0.00 178.83 179.33 3d8h h VAL 129 N 0.00 1.28 0.00 1.86 2.07 -1.36 -2.40 116.25 117.69 3d8h h VAL 129 Ca 0.00 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 3d8h h VAL 129 Cb 0.76 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3d8h h VAL 129 CO 0.00 0.40 -0.17 0.50 0.02 0.00 0.00 177.57 178.32 3d8h h LYS 130 N 0.61 0.00 -0.18 1.57 3.64 -1.50 -1.67 116.57 119.03 3d8h h LYS 130 Ca 0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3d8h h LYS 130 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3d8h h LYS 130 CO 0.04 0.17 -0.03 0.82 -2.27 0.00 0.00 179.45 178.19 3d8h h ILE 131 N 0.00 1.27 0.00 2.00 2.04 -1.26 -2.48 117.51 119.09 3d8h h ILE 131 Ca -0.00 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3d8h h ILE 131 Cb 0.53 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3d8h h ILE 131 CO 0.02 0.29 -0.05 -0.50 0.00 0.00 0.00 178.15 177.91 3d8h h TRP 132 N 0.06 0.00 0.01 1.37 6.55 -0.80 -1.37 115.95 121.77 3d8h h TRP 132 Ca 0.05 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.56 3d8h h TRP 132 Cb 0.44 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.69 3d8h h TRP 132 CO 0.04 0.05 -2.00 0.54 -1.05 0.00 0.00 178.44 176.02 3d8h n ARG 133 N -3.35 0.66 -0.14 0.49 3.00 -0.96 -4.43 116.66 111.93 3d8h n ARG 133 Ca -0.02 0.18 0.11 0.00 -0.01 0.00 0.00 57.85 58.11 3d8h n ARG 133 Cb 0.19 -1.68 0.18 0.00 0.00 0.00 0.00 32.46 31.15 3d8h n ARG 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3d8h n ARG 134 N -2.96 2.38 -4.09 5.56 1.74 -0.93 -4.98 116.66 113.38 3d8h n ARG 134 Ca -0.25 -2.15 -0.26 0.00 -0.77 0.00 0.00 57.85 54.42 3d8h n ARG 134 Cb 1.09 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 31.00 3d8h n ARG 134 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3d8h s SER 135 N -1.55 5.48 -0.04 0.55 1.04 -0.54 -5.04 113.70 113.61 3d8h s SER 135 Ca 0.35 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3d8h s SER 135 Cb 0.21 -1.42 -0.26 0.00 0.10 0.00 0.00 66.02 64.66 3d8h s SER 135 CO 0.30 0.07 0.69 0.15 0.98 0.00 0.00 173.24 175.43 3d8h h PHE 136 N 2.40 0.30 0.00 5.02 3.57 -1.91 -3.39 116.94 122.93 3d8h h PHE 136 Ca -0.48 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 60.80 3d8h h PHE 136 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3d8h h PHE 136 CO 0.58 1.35 0.00 -0.40 -2.23 0.00 0.00 178.31 177.61 3d8h n ASP 137 N -3.33 1.51 -4.15 0.41 5.75 -1.26 -0.74 116.55 114.75 3d8h n ASP 137 Ca -0.20 -1.63 -0.34 0.00 -0.01 0.00 0.00 54.79 52.62 3d8h n ASP 137 Cb 1.04 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.98 3d8h n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d8h s VAL 138 N -0.63 2.52 0.28 2.12 1.01 -1.26 -4.99 120.40 119.44 3d8h s VAL 138 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 3d8h s VAL 138 Cb 0.00 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 3d8h s VAL 138 CO 0.00 0.20 0.61 -2.16 0.00 0.00 0.00 175.10 173.75 3d8h s PRO 139 N 1.25 3.81 1.03 2.72 0.04 -1.26 -4.61 135.00 137.98 3d8h s PRO 139 Ca -0.01 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 3d8h s PRO 139 Cb -0.17 -2.58 0.21 0.00 0.04 0.00 0.00 34.50 32.00 3d8h s PRO 139 CO -0.06 0.23 1.08 -2.14 0.04 0.00 0.00 177.00 176.14 3d8h s PRO 140 N -3.08 0.16 0.80 0.56 0.02 -1.26 -5.00 135.00 127.20 3d8h s PRO 140 Ca 0.49 0.68 -0.14 0.00 0.02 0.00 0.00 61.00 62.05 3d8h s PRO 140 Cb -0.11 -1.69 0.06 0.00 0.02 0.00 0.00 34.50 32.78 3d8h s PRO 140 CO 0.23 -2.96 1.11 -2.30 -0.33 0.00 0.00 177.00 172.76 3d8h n PRO 141 N -4.36 0.24 -2.83 5.54 -0.02 -1.26 -4.75 135.00 127.55 3d8h n PRO 141 Ca 0.05 0.15 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 3d8h n PRO 141 Cb 0.56 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 3d8h n PRO 141 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d8h s VAL 142 N -2.06 4.33 0.05 -1.45 1.01 -1.26 -0.77 120.40 120.24 3d8h s VAL 142 Ca 0.73 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 64.15 3d8h s VAL 142 Cb -0.30 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 3d8h s VAL 142 CO 0.51 -0.06 0.50 -0.76 0.00 0.00 0.00 175.10 175.30 3d8h s LEU 143 N -2.56 4.50 0.57 3.92 1.43 -1.19 -4.67 118.68 120.68 3d8h s LEU 143 Ca 0.55 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 54.62 3d8h s LEU 143 Cb -0.14 -2.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 3d8h s LEU 143 CO 0.19 0.29 1.05 -1.61 0.23 0.00 0.00 176.35 176.50 3d8h s GLU 144 N -1.13 3.44 0.48 1.70 2.02 -1.26 -4.88 118.70 119.07 3d8h s GLU 144 Ca 0.27 1.24 0.24 0.00 0.02 0.00 0.00 54.97 56.75 3d8h s GLU 144 Cb -0.18 -2.05 1.23 0.00 0.10 0.00 0.00 34.13 33.23 3d8h s GLU 144 CO 0.17 -0.72 1.99 0.87 0.02 0.00 0.00 175.26 177.58 3d8h h LYS 145 N 0.71 0.00 0.00 1.61 1.57 -1.98 -2.42 116.57 116.05 3d8h h LYS 145 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3d8h h LYS 145 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3d8h h LYS 145 CO 0.58 0.18 -0.50 0.66 -0.57 0.00 0.00 179.45 179.79 3d8h h SER 146 N 0.00 0.00 -2.52 0.86 4.64 -1.99 -3.44 113.55 111.10 3d8h h SER 146 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3d8h h SER 146 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3d8h h SER 146 CO 0.02 0.50 1.14 -0.62 -0.87 0.00 0.00 176.83 177.01 3d8h s ASP 147 N -6.62 6.57 0.46 4.97 2.15 -0.91 -4.90 116.67 118.40 3d8h s ASP 147 Ca -0.00 2.37 0.34 0.00 0.43 0.00 0.00 52.55 55.69 3d8h s ASP 147 Cb 0.11 -2.53 1.50 0.00 -0.30 0.00 0.00 42.92 41.70 3d8h s ASP 147 CO 0.73 -0.99 1.62 -0.65 -0.17 0.00 0.00 175.17 175.70 3d8h h PRO 148 N 9.99 0.05 -0.39 4.34 0.10 -1.87 -1.64 132.00 142.59 3d8h h PRO 148 Ca -0.43 -0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.64 3d8h h PRO 148 Cb 1.20 -0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 3d8h h PRO 148 CO 0.95 0.04 0.14 0.00 0.10 0.00 0.00 178.00 179.22 3d8h h ARG 149 N 0.06 0.55 -6.31 1.05 3.08 -1.91 -3.44 114.38 107.45 3d8h h ARG 149 Ca 0.84 -0.08 -0.64 0.00 0.07 0.00 0.00 59.98 60.17 3d8h h ARG 149 Cb 2.81 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 32.79 3d8h h ARG 149 CO -0.34 0.47 0.90 1.87 -1.07 0.00 0.00 179.97 181.80 3d8h n TRP 150 N -4.37 2.15 0.14 3.04 -0.00 -0.62 -4.86 117.44 112.92 3d8h n TRP 150 Ca 0.02 0.26 0.19 0.00 -0.00 0.00 0.00 57.50 57.97 3d8h n TRP 150 Cb 0.16 -2.55 0.76 0.00 -0.00 0.00 0.00 31.31 29.68 3d8h n TRP 150 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3d8h h PRO 151 N 7.36 0.00 0.00 5.87 0.11 -1.85 -1.67 132.00 141.82 3d8h h PRO 151 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d8h h PRO 151 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3d8h h PRO 151 CO 0.91 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 3d8h n GLY 152 N -1.44 -0.63 0.05 -0.55 0.00 -1.26 -2.44 105.19 98.92 3d8h n GLY 152 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3d8h n GLY 152 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d8h n ASN 153 N -0.58 0.64 -4.75 1.61 3.02 -0.63 -4.97 115.26 109.61 3d8h n ASN 153 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 3d8h n ASN 153 Cb 0.01 1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 40.54 3d8h n ASN 153 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d8h s GLU 154 N -2.89 4.76 0.26 3.52 2.02 -1.02 -4.94 118.70 120.41 3d8h s GLU 154 Ca -0.08 1.41 0.23 0.00 0.02 0.00 0.00 54.97 56.55 3d8h s GLU 154 Cb 0.09 -3.31 1.00 0.00 0.10 0.00 0.00 34.13 32.01 3d8h s GLU 154 CO 0.76 0.43 1.69 1.28 0.02 0.00 0.00 175.26 179.44 3d8h n LEU 155 N 1.93 0.63 -0.01 1.80 4.77 -1.26 -2.73 117.00 122.12 3d8h n LEU 155 Ca -0.01 0.68 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 3d8h n LEU 155 Cb 0.48 -0.62 0.25 0.00 -2.33 0.00 0.00 43.42 41.20 3d8h n LEU 155 CO 0.50 -0.63 0.87 0.40 -1.33 0.00 0.00 177.39 177.20 3d8h h ILE 156 N 0.00 1.22 -0.64 -0.08 5.03 -1.92 -2.97 117.51 118.15 3d8h h ILE 156 Ca 0.00 -0.95 -0.11 0.00 -0.12 0.00 0.00 64.86 63.68 3d8h h ILE 156 Cb 0.29 1.04 -0.07 0.00 -3.03 0.00 0.00 36.82 35.06 3d8h h ILE 156 CO 0.00 0.32 0.14 -1.22 -0.68 0.00 0.00 178.15 176.70 3d8h n TYR 157 N -4.23 2.20 -0.20 1.37 4.02 -1.11 -4.79 117.16 114.42 3d8h n TYR 157 Ca 0.01 -1.00 -0.01 0.00 -0.01 0.00 0.00 57.90 56.89 3d8h n TYR 157 Cb 0.30 -0.59 0.10 0.00 -0.02 0.00 0.00 39.34 39.12 3d8h n TYR 157 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3d8h h LYS 158 N 3.15 0.48 -0.49 -0.72 2.10 -1.65 -2.84 116.57 116.60 3d8h h LYS 158 Ca 0.14 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.68 3d8h h LYS 158 Cb 2.13 -0.11 -0.05 0.00 -0.90 0.00 0.00 32.23 33.31 3d8h h LYS 158 CO 0.60 0.32 0.07 0.41 -2.00 0.00 0.00 179.45 178.86 3d8h n GLY 159 N -1.28 3.76 3.86 0.07 0.00 -1.26 -4.99 105.19 105.34 3d8h n GLY 159 Ca 0.08 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 3d8h n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d8h s ILE 160 N -2.91 5.12 -0.27 -0.61 1.01 -1.08 -5.01 121.20 117.46 3d8h s ILE 160 Ca 0.49 0.57 -0.37 0.00 0.00 0.00 0.00 60.65 61.34 3d8h s ILE 160 Cb 0.40 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 39.09 3d8h s ILE 160 CO 0.11 0.46 1.93 0.00 0.00 0.00 0.00 174.94 177.44 3d8h h PRO 162 N 9.38 0.46 0.00 0.00 0.11 -1.95 -0.19 132.00 139.81 3d8h h PRO 162 Ca -0.40 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3d8h h PRO 162 Cb 1.31 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d8h h PRO 162 CO 0.98 0.30 -0.04 0.66 -0.21 0.00 0.00 178.00 179.70 3d8h h SER 163 N 0.47 0.00 0.10 -2.05 4.64 -2.04 -2.12 113.55 112.54 3d8h h SER 163 Ca 0.58 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.73 3d8h h SER 163 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3d8h h SER 163 CO -0.32 0.04 -0.61 0.00 -0.87 0.00 0.00 176.83 175.08 3d8h s LEU 165 N -8.23 3.49 0.65 0.00 1.43 -0.80 -4.98 118.68 110.24 3d8h s LEU 165 Ca -0.07 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 3d8h s LEU 165 Cb 0.11 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3d8h s LEU 165 CO 0.84 -1.63 1.09 -2.84 0.23 0.00 0.00 176.35 174.04 3d8h s PRO 166 N 5.38 2.94 -0.12 1.29 0.02 -1.26 -4.96 135.00 138.28 3d8h s PRO 166 Ca 0.61 1.28 0.18 0.00 0.02 0.00 0.00 61.00 63.09 3d8h s PRO 166 Cb -0.14 -1.98 -0.25 0.00 0.02 0.00 0.00 34.50 32.16 3d8h s PRO 166 CO 0.29 -1.13 0.29 0.25 -0.33 0.00 0.00 177.00 176.37 3d8h n THR 167 N -2.42 1.13 -3.61 0.99 -2.24 -1.26 -4.52 114.28 102.34 3d8h n THR 167 Ca 0.10 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 3d8h n THR 167 Cb 0.52 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 3d8h n THR 167 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3d8h s THR 168 N -2.74 0.01 -0.11 4.28 -1.32 -1.26 -3.17 115.64 111.32 3d8h s THR 168 Ca -0.08 -0.44 -0.14 0.00 -1.21 0.00 0.00 61.69 59.81 3d8h s THR 168 Cb 0.08 -1.40 0.03 0.00 -1.51 0.00 0.00 72.50 69.70 3d8h s THR 168 CO 0.84 -0.02 0.37 -1.61 -2.21 0.00 0.00 174.62 171.99 3d8h s GLU 169 N -3.82 0.50 0.54 7.08 2.02 -1.14 -4.91 118.70 118.96 3d8h s GLU 169 Ca 0.05 0.38 0.08 0.00 0.02 0.00 0.00 54.97 55.50 3d8h s GLU 169 Cb -0.02 0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.50 3d8h s GLU 169 CO -0.05 -0.09 0.61 0.00 0.02 0.00 0.00 175.26 175.76 3d8h h LEU 171 N 0.47 0.31 -0.46 0.00 7.12 -1.74 -2.64 115.31 118.37 3d8h h LEU 171 Ca -0.34 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.61 3d8h h LEU 171 Cb 1.29 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 3d8h h LEU 171 CO 0.48 0.47 0.29 0.50 -0.13 0.00 0.00 178.44 180.05 3d8h h LYS 172 N 0.31 0.61 -0.42 1.25 3.64 -1.28 -1.99 116.57 118.69 3d8h h LYS 172 Ca 0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3d8h h LYS 172 Cb 0.41 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3d8h h LYS 172 CO 0.02 0.43 0.24 -0.44 -2.27 0.00 0.00 179.45 177.44 3d8h h ASP 173 N 0.61 0.50 -0.01 4.20 3.32 -1.76 -2.56 116.42 120.73 3d8h h ASP 173 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3d8h h ASP 173 Cb -0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3d8h h ASP 173 CO -0.03 0.40 -0.02 0.74 -1.72 0.00 0.00 179.24 178.61 3d8h h THR 174 N 0.58 1.45 -0.55 0.35 2.02 -1.14 -2.94 112.91 112.69 3d8h h THR 174 Ca 0.15 -1.35 0.10 0.00 0.77 0.00 0.00 66.41 66.08 3d8h h THR 174 Cb 0.00 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3d8h h THR 174 CO -0.03 0.35 0.37 0.58 0.37 0.00 0.00 175.52 177.17 3d8h h VAL 175 N -0.52 0.89 0.00 3.16 2.07 -1.32 -0.49 116.25 120.03 3d8h h VAL 175 Ca 0.00 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3d8h h VAL 175 Cb 0.59 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3d8h h VAL 175 CO 0.00 0.06 -0.36 -0.33 0.02 0.00 0.00 177.57 176.97 3d8h h GLU 176 N 0.34 0.00 0.00 1.57 5.08 -1.42 -1.85 114.58 118.30 3d8h h GLU 176 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3d8h h GLU 176 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3d8h h GLU 176 CO -0.06 0.36 -1.49 2.89 -1.00 0.00 0.00 179.01 179.71 3d8h n ARG 177 N -3.28 0.51 0.02 2.33 -4.01 -0.90 -4.23 116.66 107.11 3d8h n ARG 177 Ca 0.02 -0.07 -0.19 0.00 -1.04 0.00 0.00 57.85 56.56 3d8h n ARG 177 Cb 0.61 -1.60 -0.10 0.00 -3.04 0.00 0.00 32.46 28.33 3d8h n ARG 177 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3d8h h VAL 178 N 0.00 1.33 -0.45 8.89 2.07 -1.07 -3.39 116.25 123.63 3d8h h VAL 178 Ca 0.00 -2.16 0.09 0.00 0.82 0.00 0.00 66.70 65.45 3d8h h VAL 178 Cb 0.90 2.43 -0.10 0.00 -1.52 0.00 0.00 31.29 33.00 3d8h h VAL 178 CO 0.00 0.66 -0.25 0.50 0.02 0.00 0.00 177.57 178.49 3d8h h LYS 179 N 0.23 -0.16 0.00 1.57 3.64 -1.51 -0.95 116.57 119.40 3d8h h LYS 179 Ca -0.11 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3d8h h LYS 179 Cb 1.54 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3d8h h LYS 179 CO 0.17 -0.10 -0.13 -1.00 -2.27 0.00 0.00 179.45 176.12 3d8h h PRO 180 N -0.16 0.00 -0.28 1.90 0.13 -1.79 -1.24 132.00 130.56 3d8h h PRO 180 Ca 0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.27 3d8h h PRO 180 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3d8h h PRO 180 CO -0.55 0.13 -0.09 -0.92 -0.23 0.00 0.00 178.00 176.34 3d8h h TYR 181 N 0.00 0.63 -0.08 1.56 3.20 -1.38 -0.17 116.97 120.73 3d8h h TYR 181 Ca -0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3d8h h TYR 181 Cb 0.64 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 3d8h h TYR 181 CO 0.00 0.77 0.05 0.35 -1.64 0.00 0.00 178.16 177.69 3d8h h PHE 182 N 0.31 0.10 -0.15 -3.82 3.57 -1.07 -1.47 116.94 114.41 3d8h h PHE 182 Ca 0.07 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3d8h h PHE 182 Cb 0.58 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3d8h h PHE 182 CO 0.05 0.09 -0.06 0.93 -2.23 0.00 0.00 178.31 177.10 3d8h h GLU 183 N 0.08 -0.03 0.00 1.11 5.08 -1.12 0.20 114.58 119.89 3d8h h GLU 183 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3d8h h GLU 183 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3d8h h GLU 183 CO -0.01 -0.02 -1.26 -0.25 -1.00 0.00 0.00 179.01 176.48 3d8h n ASP 184 N -5.19 0.53 0.05 1.42 9.92 -0.09 -4.40 116.55 118.79 3d8h n ASP 184 Ca -0.03 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 3d8h n ASP 184 Cb 0.12 1.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.66 3d8h n ASP 184 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3d8h n VAL 185 N -2.08 0.99 -0.03 2.53 0.31 -0.58 -4.69 118.33 114.76 3d8h n VAL 185 Ca 0.00 0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.52 3d8h n VAL 185 Cb 0.47 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.77 3d8h n VAL 185 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3d8h h ILE 186 N 0.00 1.52 -0.49 2.52 2.04 -1.34 -3.20 117.51 118.55 3d8h h ILE 186 Ca 0.00 -1.66 0.10 0.00 1.00 0.00 0.00 64.86 64.30 3d8h h ILE 186 Cb 0.16 2.57 -0.10 0.00 -0.74 0.00 0.00 36.82 38.71 3d8h h ILE 186 CO 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 178.15 178.39 3d8h h ALA 187 N 0.34 0.16 -0.87 1.87 0.00 -0.83 -1.13 119.26 118.79 3d8h h ALA 187 Ca -0.01 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3d8h h ALA 187 Cb 0.78 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3d8h h ALA 187 CO 0.02 -0.54 0.56 -1.35 0.00 0.00 0.00 179.25 177.94 3d8h h PRO 188 N -0.10 0.83 -0.14 0.00 0.11 -1.77 -0.18 132.00 130.75 3d8h h PRO 188 Ca 0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3d8h h PRO 188 Cb 0.46 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3d8h h PRO 188 CO -0.56 0.55 0.05 0.77 -0.21 0.00 0.00 178.00 178.61 3d8h h SER 189 N 0.85 0.20 -0.25 -2.05 0.02 -1.34 -1.27 113.55 109.72 3d8h h SER 189 Ca 0.40 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3d8h h SER 189 Cb 0.42 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 3d8h h SER 189 CO -0.17 0.33 -0.10 0.40 -1.14 0.00 0.00 176.83 176.14 3d8h h ILE 190 N 0.07 0.66 -0.10 3.27 2.04 -0.79 -2.66 117.51 120.01 3d8h h ILE 190 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3d8h h ILE 190 Cb 0.19 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3d8h h ILE 190 CO -0.00 0.00 -0.18 0.24 0.00 0.00 0.00 178.15 178.21 3d8h h MET 191 N -0.07 0.16 0.00 2.37 2.86 -0.88 -1.75 114.93 117.63 3d8h h MET 191 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3d8h h MET 191 Cb 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3d8h h MET 191 CO -0.29 0.34 0.00 -1.13 1.06 0.00 0.00 176.91 176.88 3d8h n SER 192 N -4.26 0.00 0.00 1.22 3.41 -0.49 -4.87 113.62 108.63 3d8h n SER 192 Ca -0.01 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3d8h n SER 192 Cb 0.28 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3d8h n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d8h n GLY 193 N 0.13 0.76 3.78 5.00 0.00 -0.66 -5.08 105.19 109.13 3d8h n GLY 193 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3d8h n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d8h s LYS 194 N -0.93 3.56 -0.47 1.61 1.02 -1.09 -5.00 119.74 118.44 3d8h s LYS 194 Ca 0.00 1.55 -0.24 0.00 0.02 0.00 0.00 55.97 57.30 3d8h s LYS 194 Cb 0.00 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.25 3d8h s LYS 194 CO 0.00 -0.66 0.84 0.45 -0.92 0.00 0.00 175.35 175.05 3d8h s SER 195 N -1.79 6.41 -0.15 2.83 0.15 -1.26 -4.64 113.70 115.25 3d8h s SER 195 Ca 0.70 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 3d8h s SER 195 Cb -0.22 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3d8h s SER 195 CO 0.25 -1.00 -0.02 -0.69 1.20 0.00 0.00 173.24 172.98 3d8h s VAL 196 N 3.48 4.02 -0.09 4.45 1.01 -1.26 -0.29 120.40 131.72 3d8h s VAL 196 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3d8h s VAL 196 Cb -0.12 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3d8h s VAL 196 CO 0.23 0.50 -0.07 -0.22 0.00 0.00 0.00 175.10 175.53 3d8h s LEU 197 N 0.25 3.12 -0.28 3.92 2.96 -0.98 -2.37 118.68 125.30 3d8h s LEU 197 Ca -0.02 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3d8h s LEU 197 Cb -0.14 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.88 3d8h s LEU 197 CO 0.03 0.31 0.04 -0.69 -1.32 0.00 0.00 176.35 174.71 3d8h s VAL 198 N -0.48 3.63 -0.39 1.68 1.01 0.37 -0.85 120.40 125.36 3d8h s VAL 198 Ca 0.07 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3d8h s VAL 198 Cb -0.12 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.46 3d8h s VAL 198 CO 0.02 0.10 0.20 -0.55 0.00 0.00 0.00 175.10 174.86 3d8h s SER 199 N 1.44 5.41 0.00 3.32 0.15 0.57 -0.86 113.70 123.73 3d8h s SER 199 Ca 0.02 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.10 3d8h s SER 199 Cb -0.17 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 3d8h s SER 199 CO 0.00 -0.48 0.00 0.00 1.20 0.00 0.00 173.24 173.96 3d8h n ALA 200 N 4.79 0.00 -2.37 5.45 0.00 -0.17 -3.80 120.51 124.41 3d8h n ALA 200 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 3d8h n ALA 200 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 3d8h n ALA 200 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3d8h s HIS 201 N 1.67 1.69 0.16 0.00 3.76 -1.26 -2.87 115.29 118.43 3d8h s HIS 201 Ca 0.00 -1.00 -0.27 0.00 -0.15 0.00 0.00 55.06 53.64 3d8h s HIS 201 Cb 0.00 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.67 3d8h s HIS 201 CO 0.00 -0.10 1.57 0.78 -0.85 0.00 0.00 174.74 176.14 3d8h h GLY 202 N 2.33 -0.55 1.44 -2.22 0.00 -1.95 -0.94 103.07 101.18 3d8h h GLY 202 Ca -0.39 0.55 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 3d8h h GLY 202 CO 0.65 -0.18 -0.73 3.43 0.00 0.00 0.00 176.54 179.72 3d8h h ASN 203 N -0.31 0.65 -0.71 0.19 2.35 -1.97 -1.72 115.58 114.07 3d8h h ASN 203 Ca 0.14 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 3d8h h ASN 203 Cb 0.58 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3d8h h ASN 203 CO -0.60 1.18 0.17 0.28 -1.65 0.00 0.00 177.43 176.81 3d8h h SER 204 N 0.38 1.08 -0.07 5.81 0.02 -1.74 -0.78 113.55 118.26 3d8h h SER 204 Ca -0.03 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.53 3d8h h SER 204 Cb 1.32 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3d8h h SER 204 CO 0.13 1.04 -0.49 -0.07 -1.14 0.00 0.00 176.83 176.30 3d8h h LEU 205 N 1.08 0.69 -0.82 5.07 3.38 -1.13 -2.15 115.31 121.43 3d8h h LEU 205 Ca 0.22 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3d8h h LEU 205 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3d8h h LEU 205 CO 0.00 1.06 -0.18 0.03 0.09 0.00 0.00 178.44 179.44 3d8h h ARG 206 N 0.50 0.69 -0.39 1.13 3.08 -1.22 -1.24 114.38 116.91 3d8h h ARG 206 Ca 0.02 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.87 3d8h h ARG 206 Cb 1.03 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 3d8h h ARG 206 CO 0.10 0.83 0.16 0.00 -1.07 0.00 0.00 179.97 179.98 3d8h h ALA 207 N 1.19 0.47 -0.69 0.04 0.00 -0.99 0.71 119.26 119.99 3d8h h ALA 207 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3d8h h ALA 207 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3d8h h ALA 207 CO 0.05 -0.22 0.46 -0.07 0.00 0.00 0.00 179.25 179.47 3d8h h LEU 208 N 0.34 0.80 -0.29 0.00 3.38 -1.07 -1.98 115.31 116.48 3d8h h LEU 208 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3d8h h LEU 208 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3d8h h LEU 208 CO -0.16 0.58 0.15 -0.07 0.09 0.00 0.00 178.44 179.03 3d8h h LEU 209 N 0.94 0.38 -0.67 1.67 3.38 -0.86 0.20 115.31 120.35 3d8h h LEU 209 Ca 0.25 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3d8h h LEU 209 Cb -0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 3d8h h LEU 209 CO -0.06 0.38 0.31 0.22 0.09 0.00 0.00 178.44 179.39 3d8h h TYR 210 N 0.35 0.56 -0.01 1.13 3.20 -0.70 0.49 116.97 121.99 3d8h h TYR 210 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3d8h h TYR 210 Cb 0.10 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3d8h h TYR 210 CO -0.02 0.19 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.60 3d8h h LEU 211 N 0.54 0.04 -0.75 2.82 3.38 -1.14 -0.70 115.31 119.49 3d8h h LEU 211 Ca 0.33 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3d8h h LEU 211 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3d8h h LEU 211 CO -0.28 0.61 -0.38 -0.07 0.09 0.00 0.00 178.44 178.41 3d8h h LEU 212 N -0.54 0.00 0.00 1.67 3.38 -0.37 -3.10 115.31 116.36 3d8h h LEU 212 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d8h h LEU 212 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3d8h h LEU 212 CO 0.00 0.38 -1.37 -0.62 0.09 0.00 0.00 178.44 176.93 3d8h n GLU 213 N -3.44 0.39 -2.14 1.13 1.02 0.14 -1.40 120.64 116.34 3d8h n GLU 213 Ca 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.03 3d8h n GLU 213 Cb 0.55 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 30.42 3d8h n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d8h n GLY 214 N 1.34 0.20 3.94 0.62 0.00 -0.90 -4.92 105.19 105.48 3d8h n GLY 214 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3d8h n GLY 214 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d8h s MET 215 N -3.59 3.18 0.51 1.61 -1.94 -0.32 -5.05 119.30 113.71 3d8h s MET 215 Ca 0.14 -0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 53.74 3d8h s MET 215 Cb -0.02 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.28 3d8h s MET 215 CO 0.25 -0.23 0.81 0.95 -0.01 0.00 0.00 175.02 176.79 3d8h s THR 216 N -2.57 4.35 0.33 2.05 -4.23 -1.26 -4.95 115.64 109.35 3d8h s THR 216 Ca 0.47 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 3d8h s THR 216 Cb -0.10 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.35 3d8h s THR 216 CO 0.39 -0.64 1.95 -0.65 -0.54 0.00 0.00 174.62 175.12 3d8h h PRO 217 N 0.11 0.91 0.00 3.99 0.11 -2.00 -2.18 132.00 132.95 3d8h h PRO 217 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3d8h h PRO 217 Cb 1.23 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3d8h h PRO 217 CO 0.61 0.60 -0.22 1.05 -0.21 0.00 0.00 178.00 179.83 3d8h h GLU 218 N 0.94 0.00 -0.13 1.05 4.11 -2.00 -3.19 114.58 115.36 3d8h h GLU 218 Ca 0.33 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.55 3d8h h GLU 218 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3d8h h GLU 218 CO -0.11 0.22 -0.79 0.37 0.07 0.00 0.00 179.01 178.77 3d8h h GLN 219 N 0.00 0.69 0.00 1.06 4.15 -1.78 -3.18 115.11 116.05 3d8h h GLN 219 Ca -0.00 -0.58 -0.07 0.00 0.77 0.00 0.00 58.65 58.77 3d8h h GLN 219 Cb 0.80 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 3d8h h GLN 219 CO 0.03 1.19 -0.33 0.97 -1.93 0.00 0.00 178.83 178.76 3d8h h ILE 220 N 0.47 0.64 0.00 2.39 6.09 -1.56 -2.96 117.51 122.58 3d8h h ILE 220 Ca -0.05 -1.61 0.00 0.00 -1.37 0.00 0.00 64.86 61.82 3d8h h ILE 220 Cb 1.41 2.10 0.00 0.00 0.47 0.00 0.00 36.82 40.79 3d8h h ILE 220 CO 0.16 0.32 0.00 -0.07 -3.07 0.00 0.00 178.15 175.49 3d8h h LEU 221 N 0.00 0.00 -1.26 2.19 3.38 -1.53 -2.64 115.31 115.45 3d8h h LEU 221 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d8h h LEU 221 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3d8h h LEU 221 CO 0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3d8h n GLU 222 N -2.69 1.86 -3.64 1.13 1.02 -1.12 -4.92 120.64 112.29 3d8h n GLU 222 Ca 0.01 -1.26 -0.37 0.00 -0.02 0.00 0.00 57.16 55.52 3d8h n GLU 222 Cb 0.25 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 3d8h n GLU 222 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3d8h s VAL 223 N -1.91 5.35 -0.18 2.62 1.01 -1.00 -5.08 120.40 121.22 3d8h s VAL 223 Ca 0.35 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 3d8h s VAL 223 Cb 0.20 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3d8h s VAL 223 CO 0.31 0.33 -0.13 0.54 0.00 0.00 0.00 175.10 176.15 3d8h s ASN 224 N 1.16 3.75 -0.29 3.32 2.20 -1.26 -5.06 114.94 118.75 3d8h s ASN 224 Ca 0.08 -0.48 -0.12 0.00 -0.94 0.00 0.00 52.86 51.41 3d8h s ASN 224 Cb -0.14 -1.60 -0.04 0.00 -2.00 0.00 0.00 41.25 37.47 3d8h s ASN 224 CO 0.06 0.04 0.21 -0.63 -2.94 0.00 0.00 177.10 173.83 3d8h s ILE 225 N 1.09 5.30 0.54 0.54 1.01 -1.26 -5.08 121.20 123.34 3d8h s ILE 225 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 3d8h s ILE 225 Cb -0.14 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3d8h s ILE 225 CO -0.04 0.20 1.20 -2.16 0.00 0.00 0.00 174.94 174.15 3d8h s PRO 226 N 1.77 3.27 0.28 2.79 0.04 -1.26 -4.99 135.00 136.91 3d8h s PRO 226 Ca 0.07 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 3d8h s PRO 226 Cb -0.16 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3d8h s PRO 226 CO 0.11 -0.97 1.04 0.95 0.04 0.00 0.00 177.00 178.17 3d8h s THR 227 N -1.57 3.73 -1.57 1.26 -4.23 -1.26 -3.77 115.64 108.22 3d8h s THR 227 Ca 0.72 1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 62.79 3d8h s THR 227 Cb -0.30 -4.05 0.09 0.00 1.34 0.00 0.00 72.50 69.58 3d8h s THR 227 CO 0.34 0.36 0.78 0.00 -0.54 0.00 0.00 174.62 175.57 3d8h n ALA 228 N 1.14 -1.45 -3.83 3.99 0.00 0.15 -4.85 120.51 115.65 3d8h n ALA 228 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3d8h n ALA 228 Cb 0.46 -3.38 -0.16 0.00 0.00 0.00 0.00 19.45 16.38 3d8h n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d8h s PRO 230 N 1.57 4.19 -0.22 0.00 0.02 -1.26 -4.66 135.00 134.64 3d8h s PRO 230 Ca 0.00 2.41 -0.05 0.00 0.02 0.00 0.00 61.00 63.38 3d8h s PRO 230 Cb -0.18 -3.35 -0.02 0.00 0.02 0.00 0.00 34.50 30.97 3d8h s PRO 230 CO -0.11 -0.70 0.01 -1.17 -0.33 0.00 0.00 177.00 174.70 3d8h s LEU 231 N 1.86 3.18 -0.24 -5.54 2.96 0.09 -1.17 118.68 119.83 3d8h s LEU 231 Ca 0.73 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 3d8h s LEU 231 Cb -0.43 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3d8h s LEU 231 CO 0.32 0.00 0.21 -0.69 -1.32 0.00 0.00 176.35 174.87 3d8h s VAL 232 N 1.36 5.32 -0.21 1.68 1.01 0.37 -0.38 120.40 129.55 3d8h s VAL 232 Ca 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 3d8h s VAL 232 Cb -0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3d8h s VAL 232 CO 0.01 0.32 0.02 -0.76 0.00 0.00 0.00 175.10 174.68 3d8h s LEU 233 N 1.19 3.35 -0.08 3.92 1.43 0.99 -1.91 118.68 127.57 3d8h s LEU 233 Ca 0.10 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 3d8h s LEU 233 Cb -0.14 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3d8h s LEU 233 CO 0.06 0.05 0.50 -1.61 0.23 0.00 0.00 176.35 175.58 3d8h s GLU 234 N 1.06 4.29 0.21 1.70 2.02 0.11 -0.72 118.70 127.37 3d8h s GLU 234 Ca 0.03 0.51 0.11 0.00 0.02 0.00 0.00 54.97 55.64 3d8h s GLU 234 Cb -0.14 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 3d8h s GLU 234 CO 0.02 0.26 -0.20 -0.51 0.02 0.00 0.00 175.26 174.85 3d8h s LEU 235 N 0.26 2.57 1.22 1.80 1.43 0.36 -0.52 118.68 125.81 3d8h s LEU 235 Ca 0.27 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 3d8h s LEU 235 Cb -0.16 -1.25 0.29 0.00 0.03 0.00 0.00 46.19 45.11 3d8h s LEU 235 CO 0.12 0.10 1.06 -1.81 0.23 0.00 0.00 176.35 176.05 3d8h s ASP 236 N -2.89 0.69 0.45 2.29 1.01 0.64 -2.32 116.67 116.54 3d8h s ASP 236 Ca 0.24 0.84 0.13 0.00 0.71 0.00 0.00 52.55 54.47 3d8h s ASP 236 Cb -0.07 -1.22 1.00 0.00 1.01 0.00 0.00 42.92 43.64 3d8h s ASP 236 CO 0.12 -4.29 2.01 0.44 0.21 0.00 0.00 175.17 173.66 3d8h h ASP 237 N -2.69 0.06 -0.04 0.27 3.32 -1.97 -2.70 116.42 112.66 3d8h h ASP 237 Ca -0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3d8h h ASP 237 Cb 1.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3d8h h ASP 237 CO 0.38 0.19 0.00 -1.22 -1.72 0.00 0.00 179.24 176.87 3d8h n TYR 238 N -4.36 0.05 -3.24 4.55 4.01 -1.26 -4.94 117.16 111.97 3d8h n TYR 238 Ca -0.02 -0.02 -0.16 0.00 -0.16 0.00 0.00 57.90 57.53 3d8h n TYR 238 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 3d8h n TYR 238 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3d8h n LEU 239 N -0.14 -3.18 -4.46 7.72 4.77 -1.02 -5.04 117.00 115.64 3d8h n LEU 239 Ca 0.19 -0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 3d8h n LEU 239 Cb 0.27 -2.40 -0.13 0.00 -2.33 0.00 0.00 43.42 38.82 3d8h n LEU 239 CO 0.15 0.43 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.63 3d8h s LYS 240 N -5.69 2.42 0.06 3.23 3.01 -1.26 -4.78 119.74 116.73 3d8h s LYS 240 Ca 0.31 -0.75 -0.30 0.00 -1.01 0.00 0.00 55.97 54.21 3d8h s LYS 240 Cb -0.14 -2.33 -0.09 0.00 -1.01 0.00 0.00 37.83 34.27 3d8h s LYS 240 CO 0.54 0.61 1.94 0.08 0.51 0.00 0.00 175.35 179.03 3d8h s VAL 241 N -0.75 2.86 -0.16 3.17 1.01 -0.49 -0.26 120.40 125.78 3d8h s VAL 241 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3d8h s VAL 241 Cb -0.11 -3.00 -0.24 0.00 0.00 0.00 0.00 36.38 33.03 3d8h s VAL 241 CO 0.01 -0.00 0.22 0.35 0.00 0.00 0.00 175.10 175.68 3d8h n THR 242 N 5.33 1.71 -3.69 3.92 -2.24 0.32 -4.90 114.28 114.73 3d8h n THR 242 Ca 0.19 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 3d8h n THR 242 Cb 0.40 -1.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.91 3d8h n THR 242 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3d8h s LYS 243 N -2.55 0.97 -0.04 -0.78 -2.85 -1.19 -5.03 119.74 108.28 3d8h s LYS 243 Ca -0.26 -0.66 -0.07 0.00 -1.00 0.00 0.00 55.97 53.99 3d8h s LYS 243 Cb 0.07 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 3d8h s LYS 243 CO 0.72 -0.35 0.16 -1.59 0.10 0.00 0.00 175.35 174.40 3d8h s LYS 244 N -3.40 0.34 0.02 1.78 -2.85 -1.26 -0.71 119.74 113.65 3d8h s LYS 244 Ca 0.01 -0.04 -0.21 0.00 -1.00 0.00 0.00 55.97 54.73 3d8h s LYS 244 Cb 0.02 0.15 0.04 0.00 -2.06 0.00 0.00 37.83 35.98 3d8h s LYS 244 CO -0.09 -0.07 0.47 1.52 0.10 0.00 0.00 175.35 177.29 3d8h s TYR 245 N -0.57 -0.37 0.16 1.78 -0.85 -0.80 -5.00 117.35 111.70 3d8h s TYR 245 Ca -0.07 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.91 3d8h s TYR 245 Cb -0.04 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.51 3d8h s TYR 245 CO 0.01 -0.56 0.39 0.71 -1.52 0.00 0.00 175.55 174.58 3d8h s TYR 246 N -2.01 3.47 -1.11 -3.49 1.51 -1.26 -0.48 117.35 113.98 3d8h s TYR 246 Ca -0.08 0.55 -0.17 0.00 -1.01 0.00 0.00 57.07 56.36 3d8h s TYR 246 Cb -0.01 -2.00 0.13 0.00 -0.11 0.00 0.00 41.96 39.97 3d8h s TYR 246 CO 0.01 0.41 1.37 -0.51 -1.11 0.00 0.00 175.55 175.73 3d8h s LEU 247 N -2.79 4.76 0.00 -1.29 1.43 -0.31 -4.96 118.68 115.52 3d8h s LEU 247 Ca 0.41 -2.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.03 3d8h s LEU 247 Cb -0.12 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3d8h s LEU 247 CO 0.25 -0.97 0.00 -0.38 0.23 0.00 0.00 176.35 175.48