#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8h s LYS 2 N 0.00 0.63 -0.11 2.12 1.02 -1.26 -1.54 119.74 120.60 1b8h s LYS 2 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.00 1b8h s LYS 2 Cb 0.00 -0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 1b8h s LYS 2 CO 0.00 0.02 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.92 1b8h s LEU 3 N -2.13 0.93 0.62 3.17 1.43 -1.26 -4.64 118.68 116.79 1b8h s LEU 3 Ca -0.02 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1b8h s LEU 3 Cb -0.04 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1b8h s LEU 3 CO -0.02 -0.20 0.96 -0.94 0.23 0.00 0.00 176.35 176.38 1b8h s SER 4 N 1.86 5.65 0.25 2.29 1.04 -1.26 -4.79 113.70 118.74 1b8h s SER 4 Ca 0.03 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 1b8h s SER 4 Cb -0.13 -1.88 0.48 0.00 0.10 0.00 0.00 66.02 64.59 1b8h s SER 4 CO -0.07 -1.09 1.69 0.11 0.98 0.00 0.00 173.24 174.86 1b8h h LYS 5 N -0.29 0.29 -0.04 4.02 1.79 -1.97 0.47 116.57 120.83 1b8h h LYS 5 Ca -0.45 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.01 1b8h h LYS 5 Cb 1.25 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1b8h h LYS 5 CO 0.62 0.19 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.69 1b8h h ASP 6 N 0.30 -0.14 -0.42 0.86 3.32 -1.99 0.18 116.42 118.53 1b8h h ASP 6 Ca 0.43 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1b8h h ASP 6 Cb 0.73 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1b8h h ASP 6 CO -0.50 -0.06 0.22 0.74 -1.72 0.00 0.00 179.24 177.91 1b8h h THR 7 N -0.06 1.17 -0.08 0.35 2.02 -1.45 -2.06 112.91 112.80 1b8h h THR 7 Ca 0.03 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.78 1b8h h THR 7 Cb 0.11 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1b8h h THR 7 CO -0.08 0.18 0.06 0.40 0.37 0.00 0.00 175.52 176.45 1b8h h ILE 8 N 0.55 0.89 0.43 3.11 2.04 0.29 -0.59 117.51 124.23 1b8h h ILE 8 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1b8h h ILE 8 Cb 0.09 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1b8h h ILE 8 CO -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.92 1b8h h ALA 9 N 1.96 -0.58 -0.79 1.87 0.00 0.02 -1.84 119.26 119.90 1b8h h ALA 9 Ca 0.04 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1b8h h ALA 9 Cb 0.15 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1b8h h ALA 9 CO -0.00 -0.57 0.51 0.82 0.00 0.00 0.00 179.25 180.01 1b8h h ILE 10 N -1.09 0.97 -0.50 0.00 2.04 -1.19 -0.66 117.51 117.07 1b8h h ILE 10 Ca -0.06 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1b8h h ILE 10 Cb 0.51 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1b8h h ILE 10 CO 0.10 0.14 -0.19 -0.07 0.00 0.00 0.00 178.15 178.12 1b8h h LEU 11 N 0.75 1.03 -1.45 1.44 3.38 -1.15 -1.32 115.31 117.99 1b8h h LEU 11 Ca 0.36 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1b8h h LEU 11 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1b8h h LEU 11 CO -0.13 1.19 0.39 0.50 0.09 0.00 0.00 178.44 180.48 1b8h h LYS 12 N 0.87 0.71 0.58 1.13 3.64 -0.28 0.13 116.57 123.35 1b8h h LYS 12 Ca 0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1b8h h LYS 12 Cb 0.78 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1b8h h LYS 12 CO 0.06 0.47 -0.28 -0.97 -2.27 0.00 0.00 179.45 176.46 1b8h h ASN 13 N 0.73 -0.66 -1.15 4.20 -0.73 -0.97 -2.60 115.58 114.39 1b8h h ASN 13 Ca 0.23 -0.04 0.33 0.00 1.87 0.00 0.00 56.30 58.70 1b8h h ASN 13 Cb 0.02 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.74 1b8h h ASN 13 CO -0.06 -0.31 0.85 -0.26 -0.37 0.00 0.00 177.43 177.28 1b8h h PHE 14 N -1.04 0.00 -0.24 0.67 -1.00 -0.33 0.60 116.94 115.60 1b8h h PHE 14 Ca -0.08 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 1b8h h PHE 14 Cb 0.66 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1b8h h PHE 14 CO 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 178.31 176.66 1b8h h ALA 15 N 1.38 1.49 0.00 2.45 0.00 -0.38 -2.08 119.26 122.11 1b8h h ALA 15 Ca 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1b8h h ALA 15 Cb 2.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1b8h h ALA 15 CO -0.01 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1b8h n SER 16 N -4.30 0.70 -0.03 0.00 3.41 0.21 -3.08 113.62 110.52 1b8h n SER 16 Ca 0.00 0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1b8h n SER 16 Cb 0.24 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.28 1b8h n SER 16 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1b8h n ILE 17 N -2.18 1.52 -3.67 -1.33 5.41 -0.87 -4.89 119.36 113.34 1b8h n ILE 17 Ca 0.05 -0.80 -0.09 0.00 1.00 0.00 0.00 62.75 62.91 1b8h n ILE 17 Cb 0.37 -0.90 -0.09 0.00 -0.71 0.00 0.00 39.64 38.31 1b8h n ILE 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1b8h s ASN 18 N -5.94 -0.62 0.41 4.38 3.84 -0.84 -4.00 114.94 112.18 1b8h s ASN 18 Ca -0.05 1.09 0.12 0.00 0.21 0.00 0.00 52.86 54.22 1b8h s ASN 18 Cb 0.08 1.06 0.88 0.00 -0.55 0.00 0.00 41.25 42.73 1b8h s ASN 18 CO 0.83 -0.21 1.95 0.77 -2.79 0.00 0.00 177.10 177.64 1b8h h SER 19 N 7.27 0.11 -5.61 -4.21 4.64 -1.82 -3.34 113.55 110.59 1b8h h SER 19 Ca -0.32 -0.02 -0.44 0.00 -0.47 0.00 0.00 61.79 60.54 1b8h h SER 19 Cb 1.18 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1b8h h SER 19 CO 0.23 0.29 -0.17 0.61 -0.87 0.00 0.00 176.83 176.92 1b8h n GLY 20 N -0.93 2.53 3.62 -0.77 0.00 -1.23 -0.17 105.19 108.24 1b8h n GLY 20 Ca -0.02 -2.25 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 1b8h n GLY 20 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b8h s ILE 21 N -2.11 0.00 -0.29 -0.61 2.07 -0.89 -4.86 121.20 114.51 1b8h s ILE 21 Ca 0.33 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.60 1b8h s ILE 21 Cb -0.03 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.64 1b8h s ILE 21 CO 0.21 0.00 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.98 1b8h s LEU 22 N -1.55 3.96 -0.07 8.50 0.20 -1.26 -0.89 118.68 127.57 1b8h s LEU 22 Ca 0.09 -1.72 -0.30 0.00 0.69 0.00 0.00 54.13 52.89 1b8h s LEU 22 Cb -0.01 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 1b8h s LEU 22 CO -0.05 -0.28 1.07 -0.76 -0.29 0.00 0.00 176.35 176.05 1b8h s LEU 23 N 1.03 4.28 -0.06 -0.68 1.43 -0.28 -4.87 118.68 119.54 1b8h s LEU 23 Ca 0.00 1.66 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 1b8h s LEU 23 Cb -0.19 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1b8h s LEU 23 CO -0.07 -0.47 -0.24 -0.44 0.23 0.00 0.00 176.35 175.36 1b8h s SER 24 N 1.20 3.12 -0.14 2.29 0.01 -1.26 -1.89 113.70 117.01 1b8h s SER 24 Ca 0.52 -0.50 -0.40 0.00 1.31 0.00 0.00 55.95 56.87 1b8h s SER 24 Cb -0.21 -0.88 -0.19 0.00 0.21 0.00 0.00 66.02 64.95 1b8h s SER 24 CO 0.21 0.24 1.17 0.00 0.41 0.00 0.00 173.24 175.28 1b8h n GLN 25 N 2.96 0.00 -0.77 12.44 6.02 -1.26 -4.71 117.38 132.07 1b8h n GLN 25 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1b8h n GLN 25 Cb 0.52 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1b8h n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b8h n GLY 26 N 2.15 0.61 1.09 1.08 0.00 -0.60 -4.88 105.19 104.64 1b8h n GLY 26 Ca 0.22 -1.65 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1b8h n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b8h n LYS 27 N 0.00 1.02 -4.68 1.61 5.02 -1.26 0.16 118.16 120.03 1b8h n LYS 27 Ca 0.00 -2.81 -0.23 0.00 -2.02 0.00 0.00 58.31 53.25 1b8h n LYS 27 Cb 0.00 -0.98 -0.15 0.00 -0.02 0.00 0.00 35.03 33.88 1b8h n LYS 27 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1b8h s PHE 28 N -1.94 1.36 0.06 2.13 5.36 -1.26 -1.44 117.98 122.24 1b8h s PHE 28 Ca 0.37 -0.27 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1b8h s PHE 28 Cb 0.38 -0.87 -0.03 0.00 -0.34 0.00 0.00 43.02 42.16 1b8h s PHE 28 CO -0.11 -0.02 -0.08 0.96 -1.46 0.00 0.00 175.22 174.51 1b8h s ILE 29 N -0.40 0.68 0.23 3.12 -4.36 -0.70 -4.69 121.20 115.09 1b8h s ILE 29 Ca 0.06 -1.36 -0.20 0.00 -0.26 0.00 0.00 60.65 58.89 1b8h s ILE 29 Cb -0.06 -0.98 0.03 0.00 1.25 0.00 0.00 42.46 42.70 1b8h s ILE 29 CO -0.00 -0.49 0.63 0.00 0.24 0.00 0.00 174.94 175.31 1b8h s MET 30 N -2.23 1.57 0.21 0.37 0.23 -1.26 -1.20 119.30 116.99 1b8h s MET 30 Ca -0.03 -0.89 -0.22 0.00 -1.03 0.00 0.00 55.69 53.52 1b8h s MET 30 Cb -0.06 0.57 0.07 0.00 -1.53 0.00 0.00 34.83 33.88 1b8h s MET 30 CO -0.01 -0.70 0.95 -0.08 -2.03 0.00 0.00 175.02 173.16 1b8h s THR 31 N -3.89 0.00 -0.26 3.16 -1.32 0.51 -4.74 115.64 109.11 1b8h s THR 31 Ca 0.10 -0.70 -0.21 0.00 -1.21 0.00 0.00 61.69 59.67 1b8h s THR 31 Cb -0.03 -2.50 0.07 0.00 -1.51 0.00 0.00 72.50 68.52 1b8h s THR 31 CO 0.01 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.09 1b8h s ARG 32 N -2.70 0.75 0.60 7.08 1.04 -1.26 -0.86 118.95 123.60 1b8h s ARG 32 Ca 0.17 1.01 -0.19 0.00 -1.04 0.00 0.00 55.73 55.68 1b8h s ARG 32 Cb -0.03 0.30 -0.05 0.00 -2.04 0.00 0.00 34.95 33.14 1b8h s ARG 32 CO 0.05 -0.11 1.04 0.00 -0.04 0.00 0.00 175.30 176.24 1b8h n ALA 33 N 3.21 0.40 -0.34 7.88 0.00 -0.68 -4.78 120.51 126.20 1b8h n ALA 33 Ca -0.16 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1b8h n ALA 33 Cb 0.56 -2.15 0.17 0.00 0.00 0.00 0.00 19.45 18.03 1b8h n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b8h h VAL 34 N 0.60 1.17 0.00 0.00 2.07 -1.92 -2.04 116.25 116.12 1b8h h VAL 34 Ca -0.49 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1b8h h VAL 34 Cb 1.36 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1b8h h VAL 34 CO 0.52 0.22 0.00 -0.46 0.02 0.00 0.00 177.57 177.87 1b8h n ASN 35 N -4.43 0.00 -1.49 0.57 0.23 -1.26 -4.88 115.26 104.00 1b8h n ASN 35 Ca 0.13 -0.27 -0.13 0.00 -0.53 0.00 0.00 54.58 53.78 1b8h n ASN 35 Cb 0.09 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.66 1b8h n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b8h n GLY 36 N 0.04 -0.16 0.16 4.83 0.00 -0.77 -4.94 105.19 104.35 1b8h n GLY 36 Ca 0.10 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1b8h n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b8h n THR 37 N -4.01 1.35 -4.25 2.61 -2.24 -1.26 -4.92 114.28 101.55 1b8h n THR 37 Ca -0.15 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 1b8h n THR 37 Cb 0.62 -1.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 1b8h n THR 37 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1b8h s THR 38 N -2.46 4.23 -0.05 4.28 2.01 -1.26 -2.29 115.64 120.09 1b8h s THR 38 Ca -0.33 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1b8h s THR 38 Cb 0.10 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1b8h s THR 38 CO 0.50 0.36 -0.11 -0.47 -0.69 0.00 0.00 174.62 174.21 1b8h s TYR 39 N -1.11 1.27 0.05 4.92 5.04 -0.33 -1.68 117.35 125.51 1b8h s TYR 39 Ca 0.20 -0.40 0.06 0.00 -2.44 0.00 0.00 57.07 54.49 1b8h s TYR 39 Cb -0.12 -0.92 -0.02 0.00 0.35 0.00 0.00 41.96 41.25 1b8h s TYR 39 CO 0.11 -0.20 -0.17 0.00 -1.34 0.00 0.00 175.55 173.95 1b8h s ALA 40 N 0.46 1.44 -0.02 3.97 0.00 -0.04 -0.96 121.76 126.61 1b8h s ALA 40 Ca -0.09 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1b8h s ALA 40 Cb -0.13 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1b8h s ALA 40 CO 0.02 0.30 0.44 -1.83 0.00 0.00 0.00 175.76 174.69 1b8h s GLU 41 N -1.21 0.83 0.06 0.00 -1.05 -0.78 -0.36 118.70 116.19 1b8h s GLU 41 Ca 0.04 -0.08 -0.25 0.00 -0.15 0.00 0.00 54.97 54.53 1b8h s GLU 41 Cb -0.08 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.05 1b8h s GLU 41 CO 0.02 -0.25 0.61 0.00 0.95 0.00 0.00 175.26 176.58 1b8h s ALA 42 N -1.48 -1.58 -0.17 -0.84 0.00 -0.34 -1.39 121.76 115.97 1b8h s ALA 42 Ca -0.11 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1b8h s ALA 42 Cb -0.03 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1b8h s ALA 42 CO 0.05 -0.57 0.05 -0.80 0.00 0.00 0.00 175.76 174.49 1b8h s ASN 43 N -2.04 5.54 0.37 0.00 0.01 -1.23 -1.72 114.94 115.87 1b8h s ASN 43 Ca -0.05 0.08 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 1b8h s ASN 43 Cb -0.01 -1.90 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 1b8h s ASN 43 CO -0.03 0.21 0.07 0.27 -1.51 0.00 0.00 177.10 176.12 1b8h s ILE 44 N 0.17 2.53 0.06 0.60 -4.36 -0.52 -4.93 121.20 114.74 1b8h s ILE 44 Ca 0.04 -1.87 0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1b8h s ILE 44 Cb -0.12 -2.89 -0.23 0.00 1.25 0.00 0.00 42.46 40.46 1b8h s ILE 44 CO 0.01 -0.12 1.05 0.77 0.24 0.00 0.00 174.94 176.89 1b8h h SER 45 N 1.67 0.10 -3.65 4.36 4.64 -1.99 -3.45 113.55 115.21 1b8h h SER 45 Ca -0.43 -0.12 -0.51 0.00 -0.47 0.00 0.00 61.79 60.26 1b8h h SER 45 Cb 1.25 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1b8h h SER 45 CO 0.69 1.10 0.43 -1.81 -0.87 0.00 0.00 176.83 176.37 1b8h s ASP 46 N -6.64 7.39 -0.14 4.97 1.01 -1.26 -5.03 116.67 116.96 1b8h s ASP 46 Ca -0.02 2.05 -0.16 0.00 0.71 0.00 0.00 52.55 55.12 1b8h s ASP 46 Cb 0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1b8h s ASP 46 CO 0.83 -0.10 0.40 -0.70 0.21 0.00 0.00 175.17 175.82 1b8h s GLU 47 N -0.70 4.29 -0.38 8.23 2.12 -1.26 -4.56 118.70 126.44 1b8h s GLU 47 Ca 0.46 0.30 -0.25 0.00 0.36 0.00 0.00 54.97 55.84 1b8h s GLU 47 Cb -0.28 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.68 1b8h s GLU 47 CO 0.35 0.16 0.87 0.42 -0.54 0.00 0.00 175.26 176.52 1b8h s ILE 48 N 0.67 4.63 -1.73 -3.70 1.01 0.12 -4.50 121.20 117.70 1b8h s ILE 48 Ca 0.22 1.02 0.19 0.00 0.00 0.00 0.00 60.65 62.09 1b8h s ILE 48 Cb -0.14 -4.30 0.61 0.00 0.01 0.00 0.00 42.46 38.64 1b8h s ILE 48 CO 0.08 -0.54 1.51 -0.90 0.00 0.00 0.00 174.94 175.09 1b8h n ASP 49 N 6.69 3.85 -3.58 3.58 5.68 -1.26 -1.55 116.55 129.96 1b8h n ASP 49 Ca 0.05 -2.14 -0.14 0.00 -0.50 0.00 0.00 54.79 52.07 1b8h n ASP 49 Cb 0.48 -0.48 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1b8h n ASP 49 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1b8h s PHE 50 N -1.35 -0.62 -0.09 2.11 -0.71 -1.26 -4.98 117.98 111.09 1b8h s PHE 50 Ca 0.45 1.29 -0.23 0.00 -1.04 0.00 0.00 56.93 57.40 1b8h s PHE 50 Cb 0.26 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1b8h s PHE 50 CO 0.28 -0.44 0.69 -0.51 -1.34 0.00 0.00 175.22 173.91 1b8h s ASP 51 N -0.49 6.95 0.00 1.98 1.11 -1.26 -4.41 116.67 120.55 1b8h s ASP 51 Ca -0.04 1.14 -0.20 0.00 0.18 0.00 0.00 52.55 53.64 1b8h s ASP 51 Cb -0.02 -2.40 0.04 0.00 1.07 0.00 0.00 42.92 41.60 1b8h s ASP 51 CO 0.03 -0.14 0.43 0.54 1.18 0.00 0.00 175.17 177.21 1b8h s VAL 52 N 0.98 0.04 -0.09 -1.27 0.11 -0.79 -5.04 120.40 114.34 1b8h s VAL 52 Ca 0.36 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1b8h s VAL 52 Cb -0.17 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1b8h s VAL 52 CO 0.17 -0.20 -0.10 0.00 -3.33 0.00 0.00 175.10 171.64 1b8h s ALA 53 N -1.75 2.81 -0.12 1.54 0.00 -1.26 -1.12 121.76 121.86 1b8h s ALA 53 Ca -0.10 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 1b8h s ALA 53 Cb -0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1b8h s ALA 53 CO 0.03 0.42 -0.04 -0.51 0.00 0.00 0.00 175.76 175.66 1b8h s LEU 54 N -0.29 3.25 -0.02 0.00 1.43 -0.07 -0.35 118.68 122.64 1b8h s LEU 54 Ca 0.03 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1b8h s LEU 54 Cb -0.13 -1.76 -0.26 0.00 0.03 0.00 0.00 46.19 44.08 1b8h s LEU 54 CO 0.03 0.24 0.77 0.22 0.23 0.00 0.00 176.35 177.84 1b8h h TYR 55 N 6.14 0.29 -2.86 0.29 3.20 -1.86 -2.35 116.97 119.82 1b8h h TYR 55 Ca -0.38 -0.21 -0.61 0.00 3.14 0.00 0.00 58.73 60.67 1b8h h TYR 55 Cb 1.19 -0.01 -0.41 0.00 1.54 0.00 0.00 36.73 39.04 1b8h h TYR 55 CO 0.55 1.30 -0.70 0.34 -1.64 0.00 0.00 178.16 178.01 1b8h s ASP 56 N -6.73 3.72 0.20 -2.11 -1.08 -1.26 -3.52 116.67 105.90 1b8h s ASP 56 Ca -0.09 -3.56 -0.11 0.00 -0.52 0.00 0.00 52.55 48.27 1b8h s ASP 56 Cb 0.07 -1.24 0.18 0.00 -1.46 0.00 0.00 42.92 40.47 1b8h s ASP 56 CO 0.83 -0.12 1.83 0.25 0.52 0.00 0.00 175.17 178.48 1b8h h LEU 57 N 5.53 0.60 -0.06 -1.34 5.85 -0.80 -2.72 115.31 122.36 1b8h h LEU 57 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1b8h h LEU 57 Cb 0.81 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1b8h h LEU 57 CO 0.60 0.41 0.03 -1.13 -0.34 0.00 0.00 178.44 178.01 1b8h h ASN 58 N 0.73 0.09 -0.93 1.25 -1.24 -1.90 -2.50 115.58 111.08 1b8h h ASN 58 Ca 0.27 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.16 1b8h h ASN 58 Cb 0.07 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.05 1b8h h ASN 58 CO -0.13 0.19 0.61 0.28 -1.29 0.00 0.00 177.43 177.08 1b8h h SER 59 N -0.02 1.07 0.22 1.15 0.02 -1.91 -2.40 113.55 111.68 1b8h h SER 59 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b8h h SER 59 Cb 0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1b8h h SER 59 CO -0.00 0.79 -0.19 0.15 -1.14 0.00 0.00 176.83 176.43 1b8h h PHE 60 N 1.26 -0.51 -0.75 3.45 3.57 -1.41 -2.10 116.94 120.45 1b8h h PHE 60 Ca 0.34 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.94 1b8h h PHE 60 Cb -0.13 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1b8h h PHE 60 CO 0.00 -0.29 0.49 -0.07 -2.23 0.00 0.00 178.31 176.21 1b8h h LEU 61 N -0.43 0.58 -0.86 0.59 3.38 -1.24 -0.96 115.31 116.37 1b8h h LEU 61 Ca -0.01 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1b8h h LEU 61 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1b8h h LEU 61 CO -0.03 0.35 -0.40 0.28 0.09 0.00 0.00 178.44 178.73 1b8h h SER 62 N 0.65 0.37 0.52 -0.43 0.02 -0.97 -2.33 113.55 111.38 1b8h h SER 62 Ca 0.35 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1b8h h SER 62 Cb 0.48 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1b8h h SER 62 CO -0.13 0.73 -0.29 0.40 -1.14 0.00 0.00 176.83 176.41 1b8h h ILE 63 N 0.30 0.91 -0.21 3.27 1.08 -0.53 -2.75 117.51 119.58 1b8h h ILE 63 Ca 0.03 -1.10 -0.07 0.00 -0.39 0.00 0.00 64.86 63.33 1b8h h ILE 63 Cb 0.83 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1b8h h ILE 63 CO 0.07 0.28 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.57 1b8h h LEU 64 N 0.00 0.34 -1.95 1.44 3.38 -0.91 -1.94 115.31 115.67 1b8h h LEU 64 Ca -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1b8h h LEU 64 Cb 0.62 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1b8h h LEU 64 CO 0.04 0.53 -0.03 0.77 0.09 0.00 0.00 178.44 179.84 1b8h h SER 65 N 0.33 0.00 -0.01 -0.43 4.64 -1.45 -2.38 113.55 114.24 1b8h h SER 65 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1b8h h SER 65 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1b8h h SER 65 CO 0.03 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 1b8h n LEU 66 N -3.17 0.83 -4.41 5.97 4.77 -0.73 -4.90 117.00 115.36 1b8h n LEU 66 Ca -0.01 -0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 55.49 1b8h n LEU 66 Cb 0.23 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1b8h n LEU 66 CO 0.26 0.14 -0.28 0.68 -1.33 0.00 0.00 177.39 176.86 1b8h s VAL 67 N -2.00 1.07 1.00 4.08 -7.23 -0.90 -5.13 120.40 111.29 1b8h s VAL 67 Ca 0.42 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 1b8h s VAL 67 Cb 0.21 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1b8h s VAL 67 CO 0.35 -0.04 -0.51 -0.24 -0.31 0.00 0.00 175.10 174.35 1b8h n SER 68 N -0.62 -3.93 0.12 4.85 2.88 -1.26 -4.91 113.62 110.75 1b8h n SER 68 Ca -0.02 0.15 0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1b8h n SER 68 Cb 0.66 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1b8h n SER 68 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1b8h h ASP 69 N -1.30 0.00 -0.47 -3.46 5.19 -1.98 -3.26 116.42 111.14 1b8h h ASP 69 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1b8h h ASP 69 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1b8h h ASP 69 CO 0.28 0.51 0.00 -0.90 -3.12 0.00 0.00 179.24 176.01 1b8h n ASP 70 N -3.17 3.54 -4.49 6.45 5.75 -1.26 -4.83 116.55 118.54 1b8h n ASP 70 Ca 0.00 -1.99 -0.52 0.00 -0.01 0.00 0.00 54.79 52.27 1b8h n ASP 70 Cb 0.75 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.48 1b8h n ASP 70 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b8h n ALA 71 N 1.51 -2.49 -2.72 2.12 0.00 -1.23 -4.90 120.51 112.80 1b8h n ALA 71 Ca 0.21 0.50 -0.38 0.00 0.00 0.00 0.00 53.44 53.77 1b8h n ALA 71 Cb 0.60 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1b8h n ALA 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1b8h s GLU 72 N -0.51 4.34 -0.15 0.00 2.56 -0.76 -4.74 118.70 119.44 1b8h s GLU 72 Ca 0.75 0.45 -0.05 0.00 0.00 0.00 0.00 54.97 56.13 1b8h s GLU 72 Cb -1.02 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 31.64 1b8h s GLU 72 CO 0.55 0.15 0.03 0.42 -0.56 0.00 0.00 175.26 175.85 1b8h s ILE 73 N 0.65 4.54 0.26 -3.70 1.01 -0.59 0.34 121.20 123.72 1b8h s ILE 73 Ca 0.26 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 1b8h s ILE 73 Cb -0.15 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.34 1b8h s ILE 73 CO 0.10 0.52 0.62 -0.94 0.00 0.00 0.00 174.94 175.25 1b8h s SER 74 N -0.09 -0.21 -0.03 3.58 1.04 -0.09 -2.86 113.70 115.05 1b8h s SER 74 Ca 0.05 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 1b8h s SER 74 Cb -0.12 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1b8h s SER 74 CO 0.02 -1.25 1.00 -0.32 0.98 0.00 0.00 173.24 173.67 1b8h s MET 75 N -3.95 4.51 0.43 4.02 1.75 -1.26 0.39 119.30 125.19 1b8h s MET 75 Ca 0.15 1.44 -0.03 0.00 -1.25 0.00 0.00 55.69 56.00 1b8h s MET 75 Cb -0.04 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 1b8h s MET 75 CO 0.07 -0.14 0.69 -1.58 -0.65 0.00 0.00 175.02 173.40 1b8h s HIS 76 N 1.31 3.52 0.63 4.11 2.46 0.13 -4.81 115.29 122.64 1b8h s HIS 76 Ca 0.51 0.60 0.27 0.00 0.47 0.00 0.00 55.06 56.91 1b8h s HIS 76 Cb -0.21 -2.15 1.41 0.00 -0.13 0.00 0.00 32.58 31.50 1b8h s HIS 76 CO 0.25 -0.13 1.81 1.79 -2.47 0.00 0.00 174.74 175.99 1b8h h THR 77 N 0.44 0.16 -0.01 0.89 1.35 -1.97 0.48 112.91 114.25 1b8h h THR 77 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1b8h h THR 77 Cb 1.21 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1b8h h THR 77 CO 0.61 0.00 -0.38 -0.90 -0.25 0.00 0.00 175.52 174.60 1b8h n ASP 78 N -3.23 1.34 0.00 5.36 5.75 -1.26 -4.93 116.55 119.58 1b8h n ASP 78 Ca 0.04 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1b8h n ASP 78 Cb 0.61 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1b8h n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b8h n GLY 79 N 1.38 1.03 1.72 6.12 0.00 0.17 -5.08 105.19 110.53 1b8h n GLY 79 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1b8h n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b8h n ASN 80 N 0.00 0.40 -4.78 1.61 5.03 -1.26 -4.62 115.26 111.65 1b8h n ASN 80 Ca 0.00 -1.40 -0.37 0.00 0.87 0.00 0.00 54.58 53.67 1b8h n ASN 80 Cb 0.00 -0.34 -0.06 0.00 -1.02 0.00 0.00 39.78 38.35 1b8h n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1b8h s ILE 81 N -1.61 5.18 -0.26 2.41 1.01 0.21 0.21 121.20 128.36 1b8h s ILE 81 Ca 0.31 0.73 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 1b8h s ILE 81 Cb -0.01 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1b8h s ILE 81 CO 0.21 0.47 -0.04 -0.75 0.00 0.00 0.00 174.94 174.83 1b8h s LYS 82 N -0.22 2.88 -0.62 2.79 2.20 0.16 -0.58 119.74 126.35 1b8h s LYS 82 Ca 0.21 -0.96 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 1b8h s LYS 82 Cb -0.15 -3.05 0.16 0.00 -1.51 0.00 0.00 37.83 33.28 1b8h s LYS 82 CO 0.09 -0.40 0.52 0.42 -0.36 0.00 0.00 175.35 175.61 1b8h s ILE 83 N 1.35 4.73 -0.33 5.43 1.01 0.99 -0.92 121.20 133.47 1b8h s ILE 83 Ca 0.01 -2.13 -0.29 0.00 0.00 0.00 0.00 60.65 58.23 1b8h s ILE 83 Cb -0.17 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1b8h s ILE 83 CO -0.03 -0.89 1.34 0.00 0.00 0.00 0.00 174.94 175.36 1b8h s ALA 84 N 0.81 3.28 0.10 9.38 0.00 0.15 -2.11 121.76 133.38 1b8h s ALA 84 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1b8h s ALA 84 Cb -0.21 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1b8h s ALA 84 CO -0.03 -1.95 0.00 -3.47 0.00 0.00 0.00 175.76 170.31 1b8h n ASP 85 N 7.96 0.00 0.05 0.00 -0.08 -0.29 -1.83 116.55 122.35 1b8h n ASP 85 Ca 0.15 -0.74 -0.11 0.00 -1.51 0.00 0.00 54.79 52.58 1b8h n ASP 85 Cb 0.47 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.85 1b8h n ASP 85 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1b8h h THR 86 N -0.08 0.96 -0.09 5.18 2.02 -1.98 -3.37 112.91 115.54 1b8h h THR 86 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1b8h h THR 86 Cb 0.00 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1b8h h THR 86 CO 0.00 0.24 0.00 0.54 0.37 0.00 0.00 175.52 176.67 1b8h n ARG 87 N -4.91 1.32 -4.26 6.66 1.74 -1.26 -5.05 116.66 110.89 1b8h n ARG 87 Ca -0.08 -1.29 -0.18 0.00 -0.77 0.00 0.00 57.85 55.53 1b8h n ARG 87 Cb 0.27 -1.12 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 1b8h n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b8h s SER 88 N -0.72 1.32 -0.02 0.55 1.04 -1.26 -5.16 113.70 109.45 1b8h s SER 88 Ca 0.09 -1.67 0.01 0.00 0.48 0.00 0.00 55.95 54.85 1b8h s SER 88 Cb 0.05 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1b8h s SER 88 CO 0.07 -1.01 -0.01 -0.89 0.98 0.00 0.00 173.24 172.38 1b8h s THR 89 N -3.61 0.19 -0.02 2.02 2.01 -1.26 -1.14 115.64 113.83 1b8h s THR 89 Ca 0.40 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1b8h s THR 89 Cb 0.03 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1b8h s THR 89 CO 0.24 0.10 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.37 1b8h s VAL 90 N 0.51 2.49 0.03 3.82 1.01 -0.90 -4.98 120.40 122.38 1b8h s VAL 90 Ca -0.05 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1b8h s VAL 90 Cb -0.08 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1b8h s VAL 90 CO -0.01 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.08 1b8h s TYR 91 N -0.69 2.36 0.01 5.22 2.02 -1.26 -0.01 117.35 125.00 1b8h s TYR 91 Ca 0.11 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1b8h s TYR 91 Cb -0.10 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1b8h s TYR 91 CO 0.00 0.12 -0.06 -0.46 -1.57 0.00 0.00 175.55 173.58 1b8h s TRP 92 N -0.79 0.52 0.23 2.71 -0.11 0.26 -4.98 118.94 116.77 1b8h s TRP 92 Ca 0.12 -0.23 -0.30 0.00 1.22 0.00 0.00 56.10 56.90 1b8h s TRP 92 Cb -0.10 -0.32 -0.09 0.00 -1.50 0.00 0.00 33.47 31.45 1b8h s TRP 92 CO 0.02 -0.04 1.34 -1.25 -4.62 0.00 0.00 176.95 172.41 1b8h s PRO 93 N -0.64 4.35 -0.28 5.86 0.04 -1.26 0.67 135.00 143.73 1b8h s PRO 93 Ca -0.03 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 1b8h s PRO 93 Cb -0.05 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1b8h s PRO 93 CO -0.00 -0.28 0.41 0.00 0.04 0.00 0.00 177.00 177.17 1b8h s ALA 94 N -0.08 3.55 0.76 8.56 0.00 -1.26 -4.73 121.76 128.55 1b8h s ALA 94 Ca 0.56 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1b8h s ALA 94 Cb -0.38 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1b8h s ALA 94 CO 0.41 -0.78 1.09 0.00 0.00 0.00 0.00 175.76 176.48 1b8h s ALA 95 N 2.15 2.32 -0.45 0.00 0.00 0.52 -4.95 121.76 121.35 1b8h s ALA 95 Ca 0.16 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1b8h s ALA 95 Cb -0.16 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1b8h s ALA 95 CO 0.10 -1.67 0.57 0.34 0.00 0.00 0.00 175.76 175.11 1b8h s ASP 96 N -3.39 6.25 0.08 0.00 -1.08 -1.26 -4.42 116.67 112.85 1b8h s ASP 96 Ca 0.61 -0.63 0.05 0.00 -0.52 0.00 0.00 52.55 52.06 1b8h s ASP 96 Cb -0.17 -2.28 0.28 0.00 -1.46 0.00 0.00 42.92 39.29 1b8h s ASP 96 CO 0.55 -0.75 0.31 0.29 0.52 0.00 0.00 175.17 176.09 1b8h n LYS 97 N 6.02 -0.01 0.13 4.34 5.02 -1.26 0.13 118.16 132.53 1b8h n LYS 97 Ca -0.05 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 1b8h n LYS 97 Cb 0.47 -0.49 0.51 0.00 -0.02 0.00 0.00 35.03 35.49 1b8h n LYS 97 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1b8h n SER 98 N -3.22 0.61 -1.02 4.39 3.41 -1.26 -2.55 113.62 113.98 1b8h n SER 98 Ca 0.08 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1b8h n SER 98 Cb 0.29 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 63.70 1b8h n SER 98 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b8h n THR 99 N -2.21 0.52 -4.21 6.66 -2.24 0.34 -4.93 114.28 108.21 1b8h n THR 99 Ca 0.01 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 1b8h n THR 99 Cb 0.17 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 1b8h n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1b8h s ILE 100 N -1.48 0.15 -0.07 2.28 -4.36 -1.06 -5.00 121.20 111.66 1b8h s ILE 100 Ca 0.38 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1b8h s ILE 100 Cb 0.21 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1b8h s ILE 100 CO 0.29 -0.12 -0.16 -0.69 0.24 0.00 0.00 174.94 174.51 1b8h s VAL 101 N -4.04 2.87 0.13 8.37 1.01 -1.26 -4.98 120.40 122.50 1b8h s VAL 101 Ca 0.35 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1b8h s VAL 101 Cb 0.07 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1b8h s VAL 101 CO 0.10 0.57 0.49 0.72 0.00 0.00 0.00 175.10 176.97 1b8h s PHE 102 N -0.35 -0.35 0.30 5.22 -0.12 -1.26 -4.70 117.98 116.72 1b8h s PHE 102 Ca 0.03 0.12 -0.28 0.00 -0.05 0.00 0.00 56.93 56.76 1b8h s PHE 102 Cb -0.12 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.54 1b8h s PHE 102 CO 0.02 -0.74 1.01 -2.14 -0.05 0.00 0.00 175.22 173.32 1b8h s PRO 103 N -3.59 4.60 0.02 1.99 0.02 -1.26 -4.97 135.00 131.82 1b8h s PRO 103 Ca 0.01 1.55 0.09 0.00 0.02 0.00 0.00 61.00 62.68 1b8h s PRO 103 Cb 0.01 -3.00 -0.22 0.00 0.02 0.00 0.00 34.50 31.30 1b8h s PRO 103 CO -0.11 0.25 0.92 -0.91 -0.33 0.00 0.00 177.00 176.82 1b8h h ASN 104 N 3.51 0.02 -5.04 2.53 -0.26 -2.02 -3.47 115.58 110.86 1b8h h ASN 104 Ca -0.47 -0.04 -0.12 0.00 -0.56 0.00 0.00 56.30 55.12 1b8h h ASN 104 Cb 1.20 -0.01 -0.18 0.00 -1.06 0.00 0.00 38.32 38.27 1b8h h ASN 104 CO 0.66 1.03 -0.39 -1.59 -1.06 0.00 0.00 177.43 176.08 1b8h s LYS 105 N -2.64 0.65 1.14 0.81 -2.85 -1.26 -5.17 119.74 110.41 1b8h s LYS 105 Ca -0.03 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 1b8h s LYS 105 Cb 0.09 0.27 0.26 0.00 -2.06 0.00 0.00 37.83 36.39 1b8h s LYS 105 CO 0.82 -0.18 1.09 -1.25 0.10 0.00 0.00 175.35 175.93 1b8h s PRO 106 N -2.14 -0.69 -0.13 1.78 0.04 -1.26 -5.02 135.00 127.57 1b8h s PRO 106 Ca -0.08 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 1b8h s PRO 106 Cb -0.03 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 1b8h s PRO 106 CO -0.02 -3.41 0.25 0.42 0.04 0.00 0.00 177.00 174.28 1b8h s ILE 107 N -2.93 5.33 -0.75 0.56 -1.09 -1.26 -5.05 121.20 116.01 1b8h s ILE 107 Ca 0.69 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 59.42 1b8h s ILE 107 Cb -0.14 -3.56 0.20 0.00 -1.58 0.00 0.00 42.46 37.37 1b8h s ILE 107 CO 0.57 0.48 0.69 -1.10 -1.23 0.00 0.00 174.94 174.36 1b8h s GLN 108 N -0.15 3.42 0.38 2.79 -1.52 -1.26 -5.06 119.66 118.26 1b8h s GLN 108 Ca 0.16 -2.29 -0.27 0.00 -1.95 0.00 0.00 55.36 51.00 1b8h s GLN 108 Cb -0.13 -4.37 -0.09 0.00 -0.22 0.00 0.00 33.01 28.20 1b8h s GLN 108 CO 0.04 -1.29 1.33 0.12 -0.25 0.00 0.00 175.29 175.24 1b8h s PHE 109 N 0.48 2.84 0.78 0.91 5.36 -1.26 -5.00 117.98 122.08 1b8h s PHE 109 Ca 0.14 1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 57.37 1b8h s PHE 109 Cb -0.15 -3.73 0.06 0.00 -0.34 0.00 0.00 43.02 38.86 1b8h s PHE 109 CO -0.06 -2.17 1.13 -1.25 -1.46 0.00 0.00 175.22 171.40 1b8h s PRO 110 N -2.10 2.25 0.13 10.12 0.04 -1.26 -4.97 135.00 139.22 1b8h s PRO 110 Ca 0.54 0.37 -0.31 0.00 0.04 0.00 0.00 61.00 61.64 1b8h s PRO 110 Cb -0.40 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 1b8h s PRO 110 CO 0.52 -1.45 1.63 0.14 0.04 0.00 0.00 177.00 177.88 1b8h s VAL 111 N -3.37 2.70 0.50 -0.36 -7.23 -1.26 -4.92 120.40 106.46 1b8h s VAL 111 Ca 0.60 0.39 -0.23 0.00 -1.81 0.00 0.00 61.98 60.93 1b8h s VAL 111 Cb -0.12 -3.25 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 1b8h s VAL 111 CO 0.52 0.02 1.37 0.00 -0.31 0.00 0.00 175.10 176.69 1b8h n ALA 112 N 4.64 1.71 0.08 1.32 0.00 -1.26 -4.94 120.51 122.06 1b8h n ALA 112 Ca 0.15 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.62 1b8h n ALA 112 Cb 0.39 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 1b8h n ALA 112 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1b8h h SER 113 N 1.82 0.57 -4.13 0.00 0.02 -0.98 -3.46 113.55 107.39 1b8h h SER 113 Ca -0.50 -0.50 -0.21 0.00 -0.84 0.00 0.00 61.79 59.74 1b8h h SER 113 Cb 1.29 -0.18 -0.26 0.00 0.14 0.00 0.00 62.40 63.40 1b8h h SER 113 CO 0.59 1.32 -0.70 -0.69 -1.14 0.00 0.00 176.83 176.20 1b8h s VAL 114 N -3.10 0.03 -0.06 2.27 1.01 -0.70 -5.03 120.40 114.83 1b8h s VAL 114 Ca -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1b8h s VAL 114 Cb 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.37 1b8h s VAL 114 CO 0.88 -0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 175.07 1b8h s ILE 115 N -0.46 1.16 0.00 2.22 1.01 -1.26 -1.43 121.20 122.44 1b8h s ILE 115 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1b8h s ILE 115 Cb -0.03 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1b8h s ILE 115 CO -0.00 0.35 0.00 1.07 0.00 0.00 0.00 174.94 176.36 1b8h n THR 116 N 3.61 0.00 -3.68 2.92 5.66 -0.10 -5.01 114.28 117.68 1b8h n THR 116 Ca -0.21 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.69 1b8h n THR 116 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 1b8h n THR 116 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1b8h s GLU 117 N -1.66 1.12 -0.05 1.09 -1.05 -1.26 -0.03 118.70 116.85 1b8h s GLU 117 Ca 0.00 -0.78 -0.01 0.00 -0.15 0.00 0.00 54.97 54.03 1b8h s GLU 117 Cb 0.00 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.18 1b8h s GLU 117 CO 0.00 -0.44 0.01 -1.50 0.95 0.00 0.00 175.26 174.28 1b8h s ILE 118 N -3.83 0.20 0.37 1.83 2.07 -0.71 -4.56 121.20 116.57 1b8h s ILE 118 Ca 0.05 0.17 -0.24 0.00 -1.41 0.00 0.00 60.65 59.22 1b8h s ILE 118 Cb 0.02 -0.35 -0.10 0.00 0.13 0.00 0.00 42.46 42.16 1b8h s ILE 118 CO -0.10 0.20 0.98 -0.54 -1.91 0.00 0.00 174.94 173.57 1b8h s LYS 119 N 1.62 4.37 0.19 3.50 1.02 -1.26 -2.01 119.74 127.16 1b8h s LYS 119 Ca -0.01 1.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.22 1b8h s LYS 119 Cb -0.13 -2.59 0.23 0.00 -0.52 0.00 0.00 37.83 34.82 1b8h s LYS 119 CO -0.03 0.08 1.18 0.00 -0.92 0.00 0.00 175.35 175.66 1b8h n ALA 120 N 0.12 -0.01 -0.27 5.17 0.00 -1.19 -0.39 120.51 123.94 1b8h n ALA 120 Ca 0.04 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.21 1b8h n ALA 120 Cb 0.51 -0.39 0.06 0.00 0.00 0.00 0.00 19.45 19.63 1b8h n ALA 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b8h h GLU 121 N 0.00 1.00 -0.34 0.00 4.81 -1.93 -1.30 114.58 116.83 1b8h h GLU 121 Ca 0.30 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1b8h h GLU 121 Cb 0.49 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1b8h h GLU 121 CO -0.76 0.72 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.69 1b8h h ASP 122 N 1.00 0.68 -0.42 1.04 3.32 -1.09 -1.55 116.42 119.39 1b8h h ASP 122 Ca 0.26 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1b8h h ASP 122 Cb -0.02 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1b8h h ASP 122 CO -0.05 0.90 0.19 0.25 -1.72 0.00 0.00 179.24 178.82 1b8h h LEU 123 N 0.45 0.26 -0.05 1.55 5.85 -1.10 0.12 115.31 122.39 1b8h h LEU 123 Ca 0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1b8h h LEU 123 Cb 0.62 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1b8h h LEU 123 CO 0.04 0.19 0.02 -0.61 -0.34 0.00 0.00 178.44 177.74 1b8h h GLN 124 N 0.39 0.06 -0.92 1.25 4.15 -1.16 -2.09 115.11 116.79 1b8h h GLN 124 Ca 0.19 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.65 1b8h h GLN 124 Cb 0.12 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 1b8h h GLN 124 CO -0.15 0.14 0.59 0.37 -1.93 0.00 0.00 178.83 177.84 1b8h h GLN 125 N -0.03 1.07 -0.17 1.69 4.15 -0.78 -0.67 115.11 120.37 1b8h h GLN 125 Ca 0.02 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.42 1b8h h GLN 125 Cb 0.09 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 1b8h h GLN 125 CO -0.00 0.71 -0.12 1.25 -1.93 0.00 0.00 178.83 178.74 1b8h h LEU 126 N 1.10 -0.38 0.38 -2.39 5.85 -0.50 -0.98 115.31 118.39 1b8h h LEU 126 Ca 0.38 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 1b8h h LEU 126 Cb 0.09 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1b8h h LEU 126 CO -0.15 -0.15 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.55 1b8h h LEU 127 N -0.12 -0.43 -0.26 2.25 4.07 -0.94 -1.74 115.31 118.14 1b8h h LEU 127 Ca 0.10 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1b8h h LEU 127 Cb 0.27 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 1b8h h LEU 127 CO -0.24 -0.12 -0.54 0.03 -1.08 0.00 0.00 178.44 176.48 1b8h h ARG 128 N -0.75 -0.47 0.00 1.13 2.47 -1.08 -2.98 114.38 112.70 1b8h h ARG 128 Ca -0.05 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1b8h h ARG 128 Cb 0.51 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1b8h h ARG 128 CO 0.09 -0.32 0.00 0.28 0.56 0.00 0.00 179.97 180.58 1b8h n VAL 129 N -5.41 0.00 -0.08 2.04 0.31 -0.38 -2.55 118.33 112.26 1b8h n VAL 129 Ca -0.05 1.35 0.04 0.00 -0.01 0.00 0.00 64.34 65.67 1b8h n VAL 129 Cb 0.36 -2.09 0.07 0.00 -0.91 0.00 0.00 33.84 31.27 1b8h n VAL 129 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1b8h n SER 130 N -1.97 -0.02 -0.21 4.52 7.64 -0.65 0.37 113.62 123.29 1b8h n SER 130 Ca 0.00 0.38 -0.09 0.00 1.01 0.00 0.00 58.87 60.17 1b8h n SER 130 Cb 0.00 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1b8h n SER 130 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1b8h h ARG 131 N 0.00 1.07 0.35 1.43 3.08 -1.34 0.33 114.38 119.29 1b8h h ARG 131 Ca 0.14 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1b8h h ARG 131 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1b8h h ARG 131 CO -0.21 1.04 -0.17 0.78 -1.07 0.00 0.00 179.97 180.34 1b8h h GLY 132 N 0.99 -0.49 0.71 0.04 0.00 0.67 -3.20 103.07 101.80 1b8h h GLY 132 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1b8h h GLY 132 CO 0.03 -0.18 0.00 1.04 0.00 0.00 0.00 176.54 177.43 1b8h n LEU 133 N -5.18 0.00 -3.51 3.11 4.77 -0.87 -4.91 117.00 110.41 1b8h n LEU 133 Ca -0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.69 1b8h n LEU 133 Cb 0.27 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1b8h n LEU 133 CO 0.31 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.40 1b8h n GLN 134 N -0.86 -5.03 -3.02 3.23 6.02 -0.24 -4.93 117.38 112.56 1b8h n GLN 134 Ca 0.16 0.75 -0.43 0.00 -0.01 0.00 0.00 57.00 57.47 1b8h n GLN 134 Cb 0.07 -5.52 -0.06 0.00 1.02 0.00 0.00 30.24 25.76 1b8h n GLN 134 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b8h s ILE 135 N -3.48 4.68 -0.85 5.09 1.01 0.98 -4.56 121.20 124.08 1b8h s ILE 135 Ca 0.10 0.03 0.23 0.00 0.00 0.00 0.00 60.65 61.01 1b8h s ILE 135 Cb -0.02 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 1b8h s ILE 135 CO 0.77 -0.84 1.16 -0.90 0.00 0.00 0.00 174.94 175.13 1b8h n ASP 136 N 6.67 0.66 -3.83 3.58 5.68 -0.96 -4.76 116.55 123.59 1b8h n ASP 136 Ca -0.01 -0.39 -0.12 0.00 -0.50 0.00 0.00 54.79 53.77 1b8h n ASP 136 Cb 0.47 0.61 -0.10 0.00 -1.14 0.00 0.00 41.12 40.96 1b8h n ASP 136 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1b8h s THR 137 N -3.08 0.06 0.11 2.12 2.01 -1.15 -1.15 115.64 114.56 1b8h s THR 137 Ca 0.08 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1b8h s THR 137 Cb 0.16 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1b8h s THR 137 CO 0.78 -0.27 -0.11 0.27 -0.69 0.00 0.00 174.62 174.60 1b8h s ILE 138 N -1.02 1.04 -0.07 1.82 -4.36 -0.96 -0.07 121.20 117.58 1b8h s ILE 138 Ca -0.11 -1.72 -0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1b8h s ILE 138 Cb -0.06 -1.47 0.03 0.00 1.25 0.00 0.00 42.46 42.22 1b8h s ILE 138 CO 0.02 -0.56 0.03 0.00 0.24 0.00 0.00 174.94 174.66 1b8h s ALA 139 N -2.53 0.56 -0.05 2.27 0.00 0.87 -1.55 121.76 121.33 1b8h s ALA 139 Ca 0.08 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 1b8h s ALA 139 Cb -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1b8h s ALA 139 CO 0.01 -0.54 0.60 0.42 0.00 0.00 0.00 175.76 176.24 1b8h s ILE 140 N 2.03 5.01 0.25 0.00 1.01 -0.01 -1.25 121.20 128.25 1b8h s ILE 140 Ca 0.05 1.24 -0.17 0.00 0.00 0.00 0.00 60.65 61.76 1b8h s ILE 140 Cb -0.13 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1b8h s ILE 140 CO -0.05 0.35 0.58 0.28 0.00 0.00 0.00 174.94 176.10 1b8h s THR 141 N 0.28 0.01 -0.21 2.92 -1.32 -0.54 -1.38 115.64 115.40 1b8h s THR 141 Ca 0.32 -1.10 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1b8h s THR 141 Cb -0.17 -1.97 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 1b8h s THR 141 CO 0.16 -0.03 0.13 0.54 -2.21 0.00 0.00 174.62 173.21 1b8h s ASN 142 N -2.95 6.01 -0.14 8.08 4.22 -1.25 -0.80 114.94 128.12 1b8h s ASN 142 Ca 0.15 0.14 -0.04 0.00 -2.14 0.00 0.00 52.86 50.97 1b8h s ASN 142 Cb -0.03 -2.06 0.06 0.00 1.28 0.00 0.00 41.25 40.50 1b8h s ASN 142 CO 0.05 0.13 0.13 -0.75 -2.04 0.00 0.00 177.10 174.62 1b8h s LYS 143 N 0.69 0.06 -1.01 3.55 2.20 0.94 -4.90 119.74 121.27 1b8h s LYS 143 Ca 0.07 0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.77 1b8h s LYS 143 Cb -0.12 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 1b8h s LYS 143 CO 0.01 -0.53 0.79 -0.25 -0.36 0.00 0.00 175.35 175.01 1b8h n ASP 144 N 5.30 -6.08 -0.23 1.43 8.00 -1.26 -2.29 116.55 121.41 1b8h n ASP 144 Ca -0.05 -0.76 -0.03 0.00 0.71 0.00 0.00 54.79 54.66 1b8h n ASP 144 Cb 0.49 -4.00 -0.01 0.00 -0.02 0.00 0.00 41.12 37.59 1b8h n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8h n GLY 145 N -1.59 0.32 3.10 0.44 0.00 -1.26 -4.96 105.19 101.23 1b8h n GLY 145 Ca -0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1b8h n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8h s LYS 146 N -2.17 0.63 -0.20 1.61 1.02 -0.97 0.61 119.74 120.27 1b8h s LYS 146 Ca 0.00 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 54.95 1b8h s LYS 146 Cb 0.00 -0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1b8h s LYS 146 CO 0.00 0.08 0.47 0.42 -0.92 0.00 0.00 175.35 175.40 1b8h s ILE 147 N -1.59 5.14 0.16 2.17 -1.09 0.40 -0.04 121.20 126.34 1b8h s ILE 147 Ca -0.06 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.27 1b8h s ILE 147 Cb -0.08 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1b8h s ILE 147 CO 0.00 0.20 -0.12 0.68 -1.23 0.00 0.00 174.94 174.48 1b8h s VAL 148 N 1.56 1.33 -0.15 2.92 -7.23 0.02 0.10 120.40 118.94 1b8h s VAL 148 Ca 0.22 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1b8h s VAL 148 Cb -0.15 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1b8h s VAL 148 CO 0.09 -0.66 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.47 1b8h s ILE 149 N -3.06 3.13 -0.16 -0.62 1.01 0.22 -1.46 121.20 120.25 1b8h s ILE 149 Ca 0.17 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1b8h s ILE 149 Cb 0.01 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 1b8h s ILE 149 CO 0.02 0.51 -0.14 0.20 0.00 0.00 0.00 174.94 175.53 1b8h s ASN 150 N 0.54 3.74 -0.21 3.58 0.01 -0.38 -0.83 114.94 121.39 1b8h s ASN 150 Ca -0.07 -0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 51.51 1b8h s ASN 150 Cb -0.15 -1.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.87 1b8h s ASN 150 CO 0.04 0.07 0.14 -0.83 -1.51 0.00 0.00 177.10 175.00 1b8h s GLY 151 N 0.90 2.03 0.37 0.66 0.00 -0.12 -0.09 107.32 111.06 1b8h s GLY 151 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1b8h s GLY 151 CO -0.01 0.20 0.06 -1.72 0.00 0.00 0.00 173.10 171.62 1b8h n TYR 152 N 3.69 0.52 -3.69 1.90 4.02 0.90 0.10 117.16 124.61 1b8h n TYR 152 Ca -0.16 -2.06 -0.29 0.00 -0.01 0.00 0.00 57.90 55.38 1b8h n TYR 152 Cb 0.52 -0.13 -0.13 0.00 -0.02 0.00 0.00 39.34 39.58 1b8h n TYR 152 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1b8h s ASN 153 N -3.13 3.56 0.51 7.72 3.84 -1.26 -2.26 114.94 123.92 1b8h s ASN 153 Ca 0.09 -2.64 0.29 0.00 0.21 0.00 0.00 52.86 50.81 1b8h s ASN 153 Cb 0.00 -0.98 1.40 0.00 -0.55 0.00 0.00 41.25 41.12 1b8h s ASN 153 CO 0.06 -0.26 1.86 0.50 -2.79 0.00 0.00 177.10 176.47 1b8h h LYS 154 N 6.68 0.10 -0.15 0.43 3.64 -1.90 0.58 116.57 125.95 1b8h h LYS 154 Ca 0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1b8h h LYS 154 Cb 0.93 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1b8h h LYS 154 CO 0.47 0.07 -0.05 0.28 -2.27 0.00 0.00 179.45 177.94 1b8h h VAL 155 N 0.10 0.81 0.03 2.00 2.07 -1.96 -2.17 116.25 117.13 1b8h h VAL 155 Ca 0.47 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.70 1b8h h VAL 155 Cb 1.70 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1b8h h VAL 155 CO -0.06 0.00 -1.68 1.05 0.02 0.00 0.00 177.57 176.90 1b8h h GLU 156 N -0.03 0.06 -2.73 1.57 4.11 -1.88 -3.40 114.58 112.28 1b8h h GLU 156 Ca 0.08 -0.10 -0.62 0.00 0.07 0.00 0.00 59.36 58.79 1b8h h GLU 156 Cb 0.14 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 29.01 1b8h h GLU 156 CO -0.17 0.68 -0.55 -3.47 0.07 0.00 0.00 179.01 175.57 1b8h n ASP 157 N -3.16 3.41 0.29 3.06 2.03 0.15 -4.92 116.55 117.41 1b8h n ASP 157 Ca -0.18 -3.31 0.15 0.00 0.52 0.00 0.00 54.79 51.97 1b8h n ASP 157 Cb 1.04 -0.74 0.91 0.00 -0.72 0.00 0.00 41.12 41.62 1b8h n ASP 157 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1b8h h SER 158 N 4.91 0.00 -0.12 1.67 4.64 -1.62 -1.63 113.55 121.38 1b8h h SER 158 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1b8h h SER 158 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1b8h h SER 158 CO 0.78 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1b8h n GLY 159 N -1.33 -0.12 4.20 -0.77 0.00 -1.26 -4.89 105.19 101.01 1b8h n GLY 159 Ca -0.03 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1b8h n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b8h n LEU 160 N -0.03 -1.68 -0.04 0.99 4.77 -0.61 -4.82 117.00 115.58 1b8h n LEU 160 Ca 0.14 -1.06 0.01 0.00 -0.03 0.00 0.00 56.01 55.08 1b8h n LEU 160 Cb 0.23 -2.03 -0.15 0.00 -2.33 0.00 0.00 43.42 39.15 1b8h n LEU 160 CO 0.11 0.33 -0.89 0.35 -1.33 0.00 0.00 177.39 175.96 1b8h n THR 161 N -4.38 0.56 -3.78 -5.08 -2.24 -1.26 -4.82 114.28 93.28 1b8h n THR 161 Ca -0.05 -0.58 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 1b8h n THR 161 Cb 0.55 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1b8h n THR 161 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1b8h s ARG 162 N -2.92 2.24 0.12 -0.78 0.52 -1.26 -5.09 118.95 111.78 1b8h s ARG 162 Ca -0.08 -2.26 -0.30 0.00 -0.52 0.00 0.00 55.73 52.57 1b8h s ARG 162 Cb 0.09 -3.61 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1b8h s ARG 162 CO 0.77 -1.12 1.24 -1.25 0.02 0.00 0.00 175.30 174.96 1b8h s PRO 163 N 0.38 4.43 -0.04 3.54 0.04 -1.26 -4.69 135.00 137.40 1b8h s PRO 163 Ca 0.14 1.88 0.20 0.00 0.04 0.00 0.00 61.00 63.26 1b8h s PRO 163 Cb -0.22 -3.28 -0.26 0.00 0.04 0.00 0.00 34.50 30.78 1b8h s PRO 163 CO -0.04 -0.23 0.47 1.63 0.04 0.00 0.00 177.00 178.87 1b8h n LYS 164 N 3.35 0.66 -4.03 4.56 5.02 0.12 -4.96 118.16 122.87 1b8h n LYS 164 Ca 0.08 -0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1b8h n LYS 164 Cb 0.45 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1b8h n LYS 164 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1b8h s TYR 165 N -3.16 0.41 -0.26 2.13 5.04 -1.12 -4.98 117.35 115.40 1b8h s TYR 165 Ca -0.07 -0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 53.80 1b8h s TYR 165 Cb 0.11 -0.29 0.15 0.00 0.35 0.00 0.00 41.96 42.28 1b8h s TYR 165 CO 0.87 -0.24 0.47 0.45 -1.34 0.00 0.00 175.55 175.76 1b8h s SER 166 N -2.02 -0.44 -0.15 4.32 0.15 -1.26 -0.95 113.70 113.35 1b8h s SER 166 Ca -0.07 0.62 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1b8h s SER 166 Cb -0.03 1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 65.83 1b8h s SER 166 CO -0.04 -0.27 -0.10 -0.22 1.20 0.00 0.00 173.24 173.80 1b8h s LEU 167 N 2.68 2.81 -0.32 3.45 2.96 -0.01 -4.95 118.68 125.30 1b8h s LEU 167 Ca 0.13 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 1b8h s LEU 167 Cb -0.15 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1b8h s LEU 167 CO -0.17 0.13 0.43 -0.89 -1.32 0.00 0.00 176.35 174.53 1b8h s THR 168 N 0.58 5.11 0.00 3.68 2.01 -1.26 0.70 115.64 126.46 1b8h s THR 168 Ca -0.06 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1b8h s THR 168 Cb -0.15 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1b8h s THR 168 CO 0.03 -0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.09 1b8h n LEU 169 N 5.51 0.00 -4.68 4.42 4.77 0.11 -4.99 117.00 122.15 1b8h n LEU 169 Ca -0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 1b8h n LEU 169 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1b8h n LEU 169 CO 0.41 0.00 -0.26 0.42 -1.33 0.00 0.00 177.39 176.63 1b8h s THR 170 N 0.23 1.36 0.48 -5.08 -4.23 -1.24 -4.91 115.64 102.25 1b8h s THR 170 Ca 0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1b8h s THR 170 Cb 0.00 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.28 1b8h s THR 170 CO 0.00 0.00 0.99 -1.81 -0.54 0.00 0.00 174.62 173.26 1b8h s ASP 171 N -3.78 6.59 -0.27 3.99 1.01 -1.26 0.15 116.67 123.10 1b8h s ASP 171 Ca 0.18 1.74 0.02 0.00 0.71 0.00 0.00 52.55 55.20 1b8h s ASP 171 Cb 0.05 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.51 1b8h s ASP 171 CO 0.09 -0.61 -0.05 -0.47 0.21 0.00 0.00 175.17 174.35 1b8h s TYR 172 N -2.25 3.05 -2.15 4.23 5.04 0.20 -4.68 117.35 120.78 1b8h s TYR 172 Ca 0.63 -2.29 0.17 0.00 -2.44 0.00 0.00 57.07 53.14 1b8h s TYR 172 Cb -0.12 -2.04 0.52 0.00 0.35 0.00 0.00 41.96 40.67 1b8h s TYR 172 CO 0.21 -0.87 1.41 -0.25 -1.34 0.00 0.00 175.55 174.72 1b8h n ASP 173 N 4.48 2.22 -2.20 4.32 8.00 -1.26 -4.59 116.55 127.52 1b8h n ASP 173 Ca -0.09 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1b8h n ASP 173 Cb 0.43 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1b8h n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8h n GLY 174 N 1.20 -0.97 0.26 0.44 0.00 -1.26 -5.04 105.19 99.82 1b8h n GLY 174 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1b8h n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b8h n SER 175 N -2.35 0.09 -4.75 1.61 3.41 -1.26 -5.08 113.62 105.29 1b8h n SER 175 Ca 0.00 -1.57 -0.23 0.00 -0.26 0.00 0.00 58.87 56.81 1b8h n SER 175 Cb 0.00 -0.11 0.11 0.00 -0.26 0.00 0.00 64.21 63.95 1b8h n SER 175 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1b8h s ASN 176 N -0.59 4.43 -0.01 4.04 0.01 -1.26 -5.12 114.94 116.44 1b8h s ASN 176 Ca 0.01 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1b8h s ASN 176 Cb 0.01 0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.96 1b8h s ASN 176 CO 0.00 -1.82 -0.02 0.20 -1.51 0.00 0.00 177.10 173.95 1b8h s ASN 177 N -4.78 0.32 0.03 -1.22 0.01 -1.26 -4.97 114.94 103.08 1b8h s ASN 177 Ca 0.67 -0.04 -0.28 0.00 -0.71 0.00 0.00 52.86 52.50 1b8h s ASN 177 Cb -0.04 -0.09 0.07 0.00 0.41 0.00 0.00 41.25 41.59 1b8h s ASN 177 CO 0.44 -0.02 0.64 0.72 -1.51 0.00 0.00 177.10 177.37 1b8h s PHE 178 N 0.33 -0.60 -0.36 2.20 -0.12 -1.26 -2.17 117.98 116.00 1b8h s PHE 178 Ca -0.03 0.80 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1b8h s PHE 178 Cb -0.06 0.46 0.14 0.00 -0.63 0.00 0.00 43.02 42.94 1b8h s PHE 178 CO -0.01 -0.70 0.22 1.21 -0.05 0.00 0.00 175.22 175.89 1b8h s ASN 179 N -1.81 2.88 -0.30 1.98 2.47 0.98 -3.85 114.94 117.29 1b8h s ASN 179 Ca -0.06 -2.26 -0.23 0.00 0.42 0.00 0.00 52.86 50.72 1b8h s ASN 179 Cb -0.00 -0.42 0.00 0.00 -1.45 0.00 0.00 41.25 39.37 1b8h s ASN 179 CO 0.01 -0.30 0.79 -0.36 -3.72 0.00 0.00 177.10 173.52 1b8h s PHE 180 N 0.97 3.21 -0.24 0.43 0.08 -0.48 -1.90 117.98 120.05 1b8h s PHE 180 Ca 0.19 0.82 -0.11 0.00 0.12 0.00 0.00 56.93 57.95 1b8h s PHE 180 Cb -0.21 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 38.98 1b8h s PHE 180 CO -0.01 -0.56 0.20 0.08 -0.10 0.00 0.00 175.22 174.84 1b8h s VAL 181 N 2.95 5.33 -0.09 -0.44 1.01 -1.26 -0.83 120.40 127.07 1b8h s VAL 181 Ca 0.32 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1b8h s VAL 181 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1b8h s VAL 181 CO 0.12 0.32 -0.23 -0.63 0.00 0.00 0.00 175.10 174.69 1b8h s ILE 182 N 1.16 2.22 -0.10 2.22 1.01 -0.59 -0.29 121.20 126.83 1b8h s ILE 182 Ca 0.09 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1b8h s ILE 182 Cb -0.14 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1b8h s ILE 182 CO 0.05 0.56 1.10 0.21 0.00 0.00 0.00 174.94 176.86 1b8h s ASN 183 N 0.18 7.14 0.56 3.58 3.84 -1.26 -2.27 114.94 126.71 1b8h s ASN 183 Ca -0.13 1.63 0.26 0.00 0.21 0.00 0.00 52.86 54.83 1b8h s ASN 183 Cb -0.16 -2.55 1.50 0.00 -0.55 0.00 0.00 41.25 39.48 1b8h s ASN 183 CO 0.07 -0.54 2.04 0.24 -2.79 0.00 0.00 177.10 176.12 1b8h h MET 184 N 7.33 0.00 -0.07 0.43 2.86 -1.44 -0.91 114.93 123.13 1b8h h MET 184 Ca -0.31 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1b8h h MET 184 Cb 1.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1b8h h MET 184 CO 0.88 0.00 0.06 0.00 1.06 0.00 0.00 176.91 178.91 1b8h h ALA 185 N 1.74 1.87 -0.01 6.32 0.00 -1.91 -1.70 119.26 125.57 1b8h h ALA 185 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b8h h ALA 185 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1b8h h ALA 185 CO -0.00 -0.09 -0.05 0.09 0.00 0.00 0.00 179.25 179.20 1b8h n ASN 186 N -4.22 1.24 -1.81 0.00 3.02 -0.35 -4.49 115.26 108.66 1b8h n ASN 186 Ca -0.01 -1.31 -0.08 0.00 -0.03 0.00 0.00 54.58 53.15 1b8h n ASN 186 Cb 0.16 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1b8h n ASN 186 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1b8h n MET 187 N -0.12 1.57 -1.14 3.52 2.81 -0.64 -4.73 117.12 118.39 1b8h n MET 187 Ca 0.18 -0.72 -0.21 0.00 -1.81 0.00 0.00 57.70 55.14 1b8h n MET 187 Cb 0.33 -1.53 -0.12 0.00 -0.71 0.00 0.00 33.22 31.19 1b8h n MET 187 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1b8h n LYS 188 N 1.71 2.57 -3.18 0.03 5.02 -1.26 -4.91 118.16 118.13 1b8h n LYS 188 Ca 0.23 -1.47 -0.39 0.00 -2.02 0.00 0.00 58.31 54.67 1b8h n LYS 188 Cb 0.67 -2.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1b8h n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b8h s ILE 189 N 1.12 4.79 0.58 -0.18 1.01 -1.26 -4.94 121.20 122.33 1b8h s ILE 189 Ca 0.67 1.32 -0.14 0.00 0.00 0.00 0.00 60.65 62.50 1b8h s ILE 189 Cb 0.28 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1b8h s ILE 189 CO -0.03 0.46 1.02 0.00 0.00 0.00 0.00 174.94 176.39 1b8h s GLN 190 N -0.52 3.61 0.79 2.79 -2.07 -1.26 -5.00 119.66 118.00 1b8h s GLN 190 Ca 0.32 0.93 -0.14 0.00 -1.82 0.00 0.00 55.36 54.65 1b8h s GLN 190 Cb -0.19 -2.08 0.07 0.00 -1.09 0.00 0.00 33.01 29.71 1b8h s GLN 190 CO 0.19 -0.56 1.22 -1.25 -1.32 0.00 0.00 175.29 173.57 1b8h s PRO 191 N -4.53 1.76 0.00 9.60 0.04 -1.26 -4.96 135.00 135.65 1b8h s PRO 191 Ca 0.58 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1b8h s PRO 191 Cb -0.12 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1b8h s PRO 191 CO 0.42 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1b8h n GLY 192 N 0.54 0.96 3.71 0.56 0.00 -1.26 -5.09 105.19 104.60 1b8h n GLY 192 Ca 0.14 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 1b8h n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b8h s ASN 193 N 0.00 6.54 0.07 1.61 0.01 -1.26 -3.17 114.94 118.74 1b8h s ASN 193 Ca 0.00 0.64 0.09 0.00 -0.71 0.00 0.00 52.86 52.88 1b8h s ASN 193 Cb 0.00 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1b8h s ASN 193 CO 0.00 0.01 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.05 1b8h s TYR 194 N 0.76 2.09 -0.13 2.20 1.51 -0.85 -4.37 117.35 118.56 1b8h s TYR 194 Ca 0.21 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1b8h s TYR 194 Cb -0.14 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1b8h s TYR 194 CO 0.08 0.17 0.55 0.21 -1.11 0.00 0.00 175.55 175.45 1b8h s LYS 195 N -1.49 4.31 -0.22 -0.62 2.20 0.93 -1.74 119.74 123.11 1b8h s LYS 195 Ca 0.10 0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 56.19 1b8h s LYS 195 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1b8h s LYS 195 CO 0.03 0.03 0.07 0.08 -0.36 0.00 0.00 175.35 175.19 1b8h s VAL 196 N 1.03 4.55 -0.23 4.02 1.01 0.95 -1.05 120.40 130.69 1b8h s VAL 196 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1b8h s VAL 196 Cb -0.16 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.19 1b8h s VAL 196 CO 0.12 0.39 -0.09 -0.04 0.00 0.00 0.00 175.10 175.48 1b8h s MET 197 N 1.01 1.95 -0.11 2.72 -1.94 -0.23 -0.92 119.30 121.78 1b8h s MET 197 Ca 0.04 -1.07 -0.05 0.00 -1.71 0.00 0.00 55.69 52.90 1b8h s MET 197 Cb -0.14 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 1b8h s MET 197 CO 0.03 -0.54 0.08 -0.51 -0.01 0.00 0.00 175.02 174.07 1b8h s LEU 198 N 1.30 4.04 -0.02 -0.03 1.43 -0.51 -0.45 118.68 124.44 1b8h s LEU 198 Ca -0.05 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1b8h s LEU 198 Cb -0.18 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1b8h s LEU 198 CO -0.06 0.38 -0.13 0.86 0.23 0.00 0.00 176.35 177.62 1b8h s TRP 199 N -0.85 1.28 -0.03 0.29 -0.00 -0.56 -0.26 118.94 118.82 1b8h s TRP 199 Ca 0.13 -0.31 0.01 0.00 -0.00 0.00 0.00 56.10 55.94 1b8h s TRP 199 Cb -0.12 -0.86 0.01 0.00 -0.00 0.00 0.00 33.47 32.51 1b8h s TRP 199 CO 0.03 -0.09 -0.04 0.20 -0.00 0.00 0.00 176.95 177.05 1b8h s GLY 200 N -0.05 0.34 -0.33 5.86 0.00 -1.26 -2.63 107.32 109.25 1b8h s GLY 200 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.69 1b8h s GLY 200 CO 0.01 0.22 0.51 0.00 0.00 0.00 0.00 173.10 173.84 1b8h s ALA 201 N 0.53 -1.72 0.00 3.20 0.00 -0.20 -4.80 121.76 118.78 1b8h s ALA 201 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1b8h s ALA 201 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1b8h s ALA 201 CO -0.00 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1b8h n GLY 202 N 5.04 3.22 0.20 0.00 0.00 -1.26 -1.00 105.19 111.39 1b8h n GLY 202 Ca 0.05 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1b8h n GLY 202 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b8h h ASP 203 N 5.91 0.00 -3.63 1.61 3.32 -2.00 -3.43 116.42 118.20 1b8h h ASP 203 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1b8h h ASP 203 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1b8h h ASP 203 CO 0.00 0.00 0.95 -0.54 -1.72 0.00 0.00 179.24 177.93 1b8h s LYS 204 N -3.50 3.71 -0.04 3.56 1.02 -0.17 -4.99 119.74 119.33 1b8h s LYS 204 Ca 0.02 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.68 1b8h s LYS 204 Cb 0.09 -3.92 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1b8h s LYS 204 CO 0.43 -1.40 -0.10 0.14 -0.92 0.00 0.00 175.35 173.51 1b8h s VAL 205 N 4.60 0.87 -0.09 3.17 -7.23 -1.26 -1.03 120.40 119.42 1b8h s VAL 205 Ca 0.50 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 1b8h s VAL 205 Cb -0.08 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 36.12 1b8h s VAL 205 CO 0.31 0.28 0.51 0.00 -0.31 0.00 0.00 175.10 175.90 1b8h s ALA 206 N 0.40 -1.31 0.16 1.32 0.00 -1.08 -1.72 121.76 119.53 1b8h s ALA 206 Ca -0.07 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1b8h s ALA 206 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1b8h s ALA 206 CO 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 175.76 175.35 1b8h s ALA 207 N -0.73 2.86 -0.07 0.00 0.00 0.66 -1.50 121.76 122.98 1b8h s ALA 207 Ca -0.08 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.44 1b8h s ALA 207 Cb -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1b8h s ALA 207 CO 0.05 0.51 -0.03 0.21 0.00 0.00 0.00 175.76 176.50 1b8h s LYS 208 N -2.60 0.86 -0.21 0.00 2.20 0.41 -0.59 119.74 119.81 1b8h s LYS 208 Ca 0.23 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.73 1b8h s LYS 208 Cb -0.09 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.14 1b8h s LYS 208 CO 0.13 -0.22 0.07 -0.06 -0.36 0.00 0.00 175.35 174.91 1b8h s PHE 209 N 1.57 3.18 -0.06 4.03 0.40 -0.25 -1.07 117.98 125.79 1b8h s PHE 209 Ca -0.00 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1b8h s PHE 209 Cb -0.13 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1b8h s PHE 209 CO -0.04 -0.03 0.02 -2.00 0.70 0.00 0.00 175.22 173.88 1b8h s GLU 210 N 0.83 0.32 0.54 0.44 2.12 -0.21 -0.23 118.70 122.50 1b8h s GLU 210 Ca 0.04 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.61 1b8h s GLU 210 Cb -0.14 -0.75 0.03 0.00 0.26 0.00 0.00 34.13 33.53 1b8h s GLU 210 CO 0.02 -0.29 0.31 -1.54 -0.54 0.00 0.00 175.26 173.22 1b8h s SER 211 N 1.94 4.52 0.10 -1.70 1.04 -0.25 -0.05 113.70 119.29 1b8h s SER 211 Ca 0.03 -1.34 0.18 0.00 0.48 0.00 0.00 55.95 55.30 1b8h s SER 211 Cb -0.12 0.44 0.76 0.00 0.10 0.00 0.00 66.02 67.20 1b8h s SER 211 CO -0.04 -1.04 1.57 -1.54 0.98 0.00 0.00 173.24 173.16 1b8h n SER 212 N -1.65 0.25 -0.02 7.02 3.41 -1.26 -4.08 113.62 117.30 1b8h n SER 212 Ca -0.06 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 59.09 1b8h n SER 212 Cb 0.65 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1b8h n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8h n GLN 213 N -1.78 0.16 -3.93 4.33 6.02 -1.26 -4.98 117.38 115.94 1b8h n GLN 213 Ca 0.03 0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.86 1b8h n GLN 213 Cb 0.20 -0.69 -0.05 0.00 1.02 0.00 0.00 30.24 30.72 1b8h n GLN 213 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1b8h s VAL 214 N -1.69 2.80 -0.04 5.09 1.01 -1.26 -3.50 120.40 122.80 1b8h s VAL 214 Ca -0.09 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.31 1b8h s VAL 214 Cb 0.01 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1b8h s VAL 214 CO 0.13 -0.09 0.10 -0.44 0.00 0.00 0.00 175.10 174.80 1b8h s SER 215 N -3.96 -0.07 0.07 3.32 0.01 -0.48 -1.09 113.70 111.50 1b8h s SER 215 Ca 0.42 0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.97 1b8h s SER 215 Cb -0.01 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 1b8h s SER 215 CO 0.24 -0.09 -0.24 -0.31 0.41 0.00 0.00 173.24 173.25 1b8h s TYR 216 N 0.67 2.09 -0.12 2.43 1.51 0.67 -1.87 117.35 122.73 1b8h s TYR 216 Ca -0.05 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1b8h s TYR 216 Cb -0.07 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1b8h s TYR 216 CO -0.03 0.17 -0.13 0.08 -1.11 0.00 0.00 175.55 174.53 1b8h s VAL 217 N -0.90 1.39 -0.06 0.71 1.01 -0.14 -1.09 120.40 121.31 1b8h s VAL 217 Ca 0.10 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1b8h s VAL 217 Cb -0.10 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1b8h s VAL 217 CO 0.03 0.42 -0.23 -0.63 0.00 0.00 0.00 175.10 174.70 1b8h s ILE 218 N 1.30 1.90 0.20 2.22 1.01 0.25 -1.18 121.20 126.89 1b8h s ILE 218 Ca -0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1b8h s ILE 218 Cb -0.14 -1.62 -0.08 0.00 0.01 0.00 0.00 42.46 40.63 1b8h s ILE 218 CO -0.06 0.53 1.03 0.00 0.00 0.00 0.00 174.94 176.44 1b8h s ALA 219 N 0.00 3.34 0.06 9.38 0.00 -0.97 -0.25 121.76 133.33 1b8h s ALA 219 Ca -0.07 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1b8h s ALA 219 Cb -0.14 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1b8h s ALA 219 CO 0.04 -0.06 0.26 -1.64 0.00 0.00 0.00 175.76 174.37 1b8h s MET 220 N -0.67 3.52 0.85 0.00 1.00 -0.70 -4.78 119.30 118.52 1b8h s MET 220 Ca 0.46 -0.24 -0.12 0.00 0.00 0.00 0.00 55.69 55.78 1b8h s MET 220 Cb -0.28 -3.01 0.10 0.00 0.00 0.00 0.00 34.83 31.64 1b8h s MET 220 CO 0.34 0.59 1.12 0.39 0.00 0.00 0.00 175.02 177.46 1b8h n GLU 221 N 0.52 -0.05 0.28 2.03 -0.58 0.61 -4.76 120.64 118.69 1b8h n GLU 221 Ca -0.07 0.06 0.19 0.00 -0.42 0.00 0.00 57.16 56.92 1b8h n GLU 221 Cb 0.52 -2.37 0.91 0.00 -0.57 0.00 0.00 31.44 29.93 1b8h n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b8h h ALA 222 N -1.25 1.00 0.00 0.62 0.00 -1.94 -2.45 119.26 115.24 1b8h h ALA 222 Ca -0.45 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1b8h h ALA 222 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1b8h h ALA 222 CO 0.44 0.00 -0.18 -0.44 0.00 0.00 0.00 179.25 179.06 1b8h h ASP 223 N 0.00 0.00 -2.26 0.00 3.32 -1.91 -3.45 116.42 112.12 1b8h h ASP 223 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1b8h h ASP 223 Cb 0.22 0.00 0.20 0.00 0.22 0.00 0.00 39.33 39.97 1b8h h ASP 223 CO 0.00 0.18 -1.26 -1.20 -1.72 0.00 0.00 179.24 175.24 1b8h n SER 224 N -4.12 -4.05 -3.76 6.45 7.64 -0.92 -4.92 113.62 109.93 1b8h n SER 224 Ca -0.02 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.19 1b8h n SER 224 Cb 0.26 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 1b8h n SER 224 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1b8h s THR 225 N -2.00 0.02 0.04 0.44 -4.23 -0.80 -4.98 115.64 104.13 1b8h s THR 225 Ca 0.52 -0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1b8h s THR 225 Cb -0.35 -0.51 0.09 0.00 1.34 0.00 0.00 72.50 73.08 1b8h s THR 225 CO 0.71 -0.10 0.83 -1.38 -0.54 0.00 0.00 174.62 174.14 1b8h s HIS 226 N -0.38 -0.38 -0.36 3.99 -3.43 -1.26 -0.01 115.29 113.46 1b8h s HIS 226 Ca -0.05 0.22 0.06 0.00 -0.80 0.00 0.00 55.06 54.49 1b8h s HIS 226 Cb -0.03 0.55 0.44 0.00 -1.43 0.00 0.00 32.58 32.10 1b8h s HIS 226 CO 0.02 -0.62 1.15 -0.40 -2.00 0.00 0.00 174.74 172.89 1b8h n ASP 227 N -0.28 4.81 -0.45 7.38 5.68 -0.92 -4.99 116.55 127.78 1b8h n ASP 227 Ca -0.10 -3.73 0.14 0.00 -0.50 0.00 0.00 54.79 50.60 1b8h n ASP 227 Cb 0.62 -0.40 0.55 0.00 -1.14 0.00 0.00 41.12 40.76 1b8h n ASP 227 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36