#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 0.62 -0.14 3.17 1.02 -1.26 -0.39 119.74 122.76 1b8h s LYS 2 Ca 0.00 -1.22 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 1b8h s LYS 2 Cb 0.00 0.21 0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1b8h s LYS 2 CO 0.00 -0.11 0.04 -0.51 -0.92 0.00 0.00 175.35 173.85 1b8h s LEU 3 N -2.92 0.70 0.98 3.17 1.43 -1.26 -4.71 118.68 116.07 1b8h s LEU 3 Ca 0.07 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 1b8h s LEU 3 Cb 0.08 -0.42 0.18 0.00 0.03 0.00 0.00 46.19 46.06 1b8h s LEU 3 CO -0.10 -0.28 1.12 -0.94 0.23 0.00 0.00 176.35 176.38 1b8h s SER 4 N 1.99 2.85 0.18 2.29 1.04 -1.26 -4.78 113.70 116.01 1b8h s SER 4 Ca 0.02 1.01 -0.13 0.00 0.48 0.00 0.00 55.95 57.33 1b8h s SER 4 Cb -0.15 -1.59 0.14 0.00 0.10 0.00 0.00 66.02 64.52 1b8h s SER 4 CO -0.07 -2.97 1.80 0.11 0.98 0.00 0.00 173.24 173.09 1b8h h LYS 5 N -1.78 0.54 -0.23 4.02 1.79 -1.98 -1.19 116.57 117.74 1b8h h LYS 5 Ca -0.52 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 57.97 1b8h h LYS 5 Cb 1.33 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1b8h h LYS 5 CO 0.58 0.36 -0.12 -0.44 -1.08 0.00 0.00 179.45 178.75 1b8h h ASP 6 N 0.56 -0.39 0.36 0.86 3.32 -1.99 0.43 116.42 119.57 1b8h h ASP 6 Ca 0.23 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1b8h h ASP 6 Cb 0.10 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1b8h h ASP 6 CO -0.14 -0.15 -0.28 0.74 -1.72 0.00 0.00 179.24 177.69 1b8h h THR 7 N -0.09 0.41 -0.94 0.35 2.02 -1.85 -2.40 112.91 110.41 1b8h h THR 7 Ca 0.13 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.47 1b8h h THR 7 Cb 0.28 0.41 -0.10 0.00 -1.74 0.00 0.00 68.15 67.00 1b8h h THR 7 CO -0.29 0.00 0.53 0.40 0.37 0.00 0.00 175.52 176.53 1b8h h ILE 8 N -0.65 0.71 0.53 3.11 2.04 -0.60 -1.93 117.51 120.73 1b8h h ILE 8 Ca -0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1b8h h ILE 8 Cb 0.56 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1b8h h ILE 8 CO -0.01 0.13 -0.41 0.00 0.00 0.00 0.00 178.15 177.86 1b8h h ALA 9 N 1.61 -0.97 -0.46 1.87 0.00 0.27 -1.55 119.26 120.03 1b8h h ALA 9 Ca 0.53 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1b8h h ALA 9 Cb 0.78 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1b8h h ALA 9 CO -0.38 -1.07 0.13 0.82 0.00 0.00 0.00 179.25 178.75 1b8h h ILE 10 N -0.92 0.81 -0.03 0.00 2.04 -0.92 -0.05 117.51 118.44 1b8h h ILE 10 Ca -0.06 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1b8h h ILE 10 Cb 0.78 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1b8h h ILE 10 CO 0.00 0.05 0.03 -0.07 0.00 0.00 0.00 178.15 178.16 1b8h h LEU 11 N 0.29 0.00 -0.47 1.44 3.38 -1.22 0.31 115.31 119.04 1b8h h LEU 11 Ca 0.22 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1b8h h LEU 11 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1b8h h LEU 11 CO -0.25 0.00 -0.73 0.50 0.09 0.00 0.00 178.44 178.04 1b8h h LYS 12 N 0.00 0.24 0.12 1.13 3.64 0.03 0.47 116.57 122.20 1b8h h LYS 12 Ca 0.01 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1b8h h LYS 12 Cb 0.07 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1b8h h LYS 12 CO -0.00 0.87 -0.06 -0.97 -2.27 0.00 0.00 179.45 177.02 1b8h h ASN 13 N 0.16 -0.13 -0.91 4.20 -0.73 -0.29 -3.07 115.58 114.80 1b8h h ASN 13 Ca -0.02 -0.43 0.23 0.00 1.87 0.00 0.00 56.30 57.95 1b8h h ASN 13 Cb 1.30 0.03 -0.13 0.00 0.27 0.00 0.00 38.32 39.79 1b8h h ASN 13 CO 0.11 0.43 0.42 -0.26 -0.37 0.00 0.00 177.43 177.76 1b8h h PHE 14 N -0.77 0.69 -0.02 0.67 -1.00 -0.37 0.41 116.94 116.55 1b8h h PHE 14 Ca -0.02 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1b8h h PHE 14 Cb 0.55 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1b8h h PHE 14 CO 0.10 -0.04 0.02 0.00 -1.61 0.00 0.00 178.31 176.78 1b8h h ALA 15 N 1.72 1.43 0.00 2.45 0.00 0.04 -0.78 119.26 124.12 1b8h h ALA 15 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1b8h h ALA 15 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1b8h h ALA 15 CO -0.53 -0.03 -0.32 0.66 0.00 0.00 0.00 179.25 179.03 1b8h h SER 16 N 0.00 0.00 0.34 0.00 4.64 -0.13 -3.20 113.55 115.19 1b8h h SER 16 Ca 0.01 -0.05 -0.32 0.00 -0.47 0.00 0.00 61.79 60.95 1b8h h SER 16 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1b8h h SER 16 CO -0.00 0.03 -1.75 0.40 -0.87 0.00 0.00 176.83 174.63 1b8h h ILE 17 N 0.00 0.87 -2.94 0.95 2.04 -1.09 -3.46 117.51 113.87 1b8h h ILE 17 Ca 0.00 -2.60 -0.22 0.00 1.00 0.00 0.00 64.86 63.04 1b8h h ILE 17 Cb 0.86 2.58 -0.32 0.00 -0.74 0.00 0.00 36.82 39.19 1b8h h ILE 17 CO 0.00 0.76 -0.53 0.21 0.00 0.00 0.00 178.15 178.59 1b8h s ASN 18 N -6.77 0.22 0.63 1.72 3.84 -0.82 -4.22 114.94 109.53 1b8h s ASN 18 Ca -0.13 0.53 0.32 0.00 0.21 0.00 0.00 52.86 53.79 1b8h s ASN 18 Cb 0.07 0.55 1.76 0.00 -0.55 0.00 0.00 41.25 43.08 1b8h s ASN 18 CO 0.82 -0.22 2.07 0.77 -2.79 0.00 0.00 177.10 177.74 1b8h h SER 19 N 7.97 0.00 -4.56 -4.21 4.64 -1.84 -3.36 113.55 112.19 1b8h h SER 19 Ca -0.22 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.59 1b8h h SER 19 Cb 1.13 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 1b8h h SER 19 CO 0.21 0.00 -0.37 0.61 -0.87 0.00 0.00 176.83 176.41 1b8h n GLY 20 N -1.31 3.69 3.58 -0.77 0.00 -1.23 -0.35 105.19 108.81 1b8h n GLY 20 Ca 0.01 -2.32 -0.06 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.44 0.00 -0.21 -0.61 2.07 -0.23 -4.86 121.20 114.93 1b8h s ILE 21 Ca 0.01 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1b8h s ILE 21 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1b8h s ILE 21 CO 0.01 0.00 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.69 1b8h s LEU 22 N -1.72 2.61 -0.10 8.50 0.20 -1.26 0.05 118.68 126.95 1b8h s LEU 22 Ca 0.05 -0.63 -0.17 0.00 0.69 0.00 0.00 54.13 54.08 1b8h s LEU 22 Cb -0.01 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 1b8h s LEU 22 CO -0.04 -0.03 0.44 -0.76 -0.29 0.00 0.00 176.35 175.67 1b8h s LEU 23 N 1.35 4.30 0.09 -0.68 1.43 0.75 -4.80 118.68 121.11 1b8h s LEU 23 Ca 0.04 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 1b8h s LEU 23 Cb -0.14 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1b8h s LEU 23 CO -0.08 0.06 -0.19 -0.44 0.23 0.00 0.00 176.35 175.93 1b8h s SER 24 N 0.34 3.76 -0.05 2.29 0.01 -1.26 -2.17 113.70 116.63 1b8h s SER 24 Ca 0.24 -0.53 -0.35 0.00 1.31 0.00 0.00 55.95 56.62 1b8h s SER 24 Cb -0.15 -0.53 -0.13 0.00 0.21 0.00 0.00 66.02 65.42 1b8h s SER 24 CO 0.10 0.21 1.75 1.67 0.41 0.00 0.00 173.24 177.38 1b8h n GLN 25 N 1.15 1.94 -1.90 12.44 7.27 -1.26 -4.75 117.38 132.26 1b8h n GLN 25 Ca -0.16 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1b8h n GLN 25 Cb 0.52 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.68 1b8h n GLN 25 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b8h n GLY 26 N 3.99 -0.12 1.67 1.69 0.00 -0.93 -4.93 105.19 106.56 1b8h n GLY 26 Ca 0.22 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 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 3.10 -4.25 1.61 5.02 -1.26 -0.80 118.16 121.58 1b8h n LYS 27 Ca 0.00 -3.95 -0.18 0.00 -2.02 0.00 0.00 58.31 52.16 1b8h n LYS 27 Cb 0.00 -2.12 -0.15 0.00 -0.02 0.00 0.00 35.03 32.74 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 -3.51 0.68 0.09 2.13 5.36 -1.26 -1.85 117.98 119.61 1b8h s PHE 28 Ca 0.48 -0.14 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 1b8h s PHE 28 Cb 0.40 -0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1b8h s PHE 28 CO 0.01 -0.05 -0.11 0.96 -1.46 0.00 0.00 175.22 174.57 1b8h s ILE 29 N 0.09 0.95 0.07 3.12 -4.36 -0.76 -4.67 121.20 115.63 1b8h s ILE 29 Ca -0.01 -1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 58.64 1b8h s ILE 29 Cb -0.06 -1.23 0.06 0.00 1.25 0.00 0.00 42.46 42.48 1b8h s ILE 29 CO -0.00 -0.47 0.54 0.00 0.24 0.00 0.00 174.94 175.25 1b8h s MET 30 N -2.45 1.09 0.11 0.37 0.23 -1.26 -1.50 119.30 115.89 1b8h s MET 30 Ca 0.02 -0.29 -0.17 0.00 -1.03 0.00 0.00 55.69 54.23 1b8h s MET 30 Cb -0.05 0.50 0.04 0.00 -1.53 0.00 0.00 34.83 33.78 1b8h s MET 30 CO 0.01 -0.41 0.42 -0.08 -2.03 0.00 0.00 175.02 172.93 1b8h s THR 31 N -2.73 0.06 -0.09 3.16 -1.32 -0.49 -4.68 115.64 109.56 1b8h s THR 31 Ca -0.04 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.87 1b8h s THR 31 Cb -0.00 -1.11 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1b8h s THR 31 CO -0.04 -0.27 0.23 -0.60 -2.21 0.00 0.00 174.62 171.73 1b8h s ARG 32 N -3.51 0.25 0.91 7.08 3.52 -1.26 -1.11 118.95 124.82 1b8h s ARG 32 Ca 0.01 0.34 -0.12 0.00 -0.13 0.00 0.00 55.73 55.84 1b8h s ARG 32 Cb 0.01 0.09 0.10 0.00 -1.56 0.00 0.00 34.95 33.59 1b8h s ARG 32 CO -0.10 -0.05 0.89 0.00 -0.81 0.00 0.00 175.30 175.23 1b8h n ALA 33 N 3.14 -1.31 0.19 6.12 0.00 0.53 -4.70 120.51 124.49 1b8h n ALA 33 Ca -0.15 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1b8h n ALA 33 Cb 0.58 -2.06 0.38 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.59 1.02 -0.01 0.00 2.07 -1.91 -2.62 116.25 113.20 1b8h h VAL 34 Ca -0.44 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1b8h h VAL 34 Cb 1.28 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1b8h h VAL 34 CO 0.40 0.36 -0.20 -0.46 0.02 0.00 0.00 177.57 177.68 1b8h n ASN 35 N -3.76 1.64 -0.65 0.57 0.23 -1.26 -4.96 115.26 107.06 1b8h n ASN 35 Ca -0.01 -1.34 -0.08 0.00 -0.53 0.00 0.00 54.58 52.63 1b8h n ASN 35 Cb 0.45 0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 38.27 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 1.32 0.77 0.05 4.83 0.00 -0.99 -4.92 105.19 106.24 1b8h n GLY 36 Ca 0.14 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.05 0.25 -4.04 2.61 -2.24 -1.26 -4.85 114.28 101.70 1b8h n THR 37 Ca -0.08 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 1b8h n THR 37 Cb 0.32 0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 68.46 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 -3.19 0.28 0.01 4.28 2.01 -1.26 -2.52 115.64 115.25 1b8h s THR 38 Ca 0.05 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1b8h s THR 38 Cb 0.14 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1b8h s THR 38 CO 0.77 0.12 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.22 1b8h s TYR 39 N 0.36 1.09 0.00 4.92 5.04 -0.47 -0.35 117.35 127.95 1b8h s TYR 39 Ca -0.04 -0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1b8h s TYR 39 Cb -0.07 -0.68 -0.00 0.00 0.35 0.00 0.00 41.96 41.56 1b8h s TYR 39 CO -0.01 -0.00 0.00 0.00 -1.34 0.00 0.00 175.55 174.20 1b8h s ALA 40 N -0.54 0.01 -0.03 3.97 0.00 -0.27 -0.28 121.76 124.62 1b8h s ALA 40 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 1b8h s ALA 40 Cb -0.06 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1b8h s ALA 40 CO 0.00 -0.04 0.14 -1.83 0.00 0.00 0.00 175.76 174.03 1b8h s GLU 41 N -0.30 0.27 -0.02 0.00 -1.05 -0.76 -1.40 118.70 115.45 1b8h s GLU 41 Ca -0.03 -0.01 -0.20 0.00 -0.15 0.00 0.00 54.97 54.57 1b8h s GLU 41 Cb -0.02 0.12 0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1b8h s GLU 41 CO -0.00 -0.05 0.44 0.00 0.95 0.00 0.00 175.26 176.60 1b8h s ALA 42 N -0.43 -1.12 -0.26 -0.84 0.00 -0.56 -2.20 121.76 116.34 1b8h s ALA 42 Ca -0.05 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 1b8h s ALA 42 Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1b8h s ALA 42 CO 0.01 -0.32 0.12 -0.80 0.00 0.00 0.00 175.76 174.76 1b8h s ASN 43 N -1.39 5.47 0.19 0.00 0.02 -1.26 -1.83 114.94 116.15 1b8h s ASN 43 Ca -0.12 -0.13 0.04 0.00 -1.02 0.00 0.00 52.86 51.63 1b8h s ASN 43 Cb -0.03 -2.00 -0.03 0.00 0.02 0.00 0.00 41.25 39.21 1b8h s ASN 43 CO 0.05 -0.04 0.29 0.27 0.02 0.00 0.00 177.10 177.69 1b8h s ILE 44 N 1.67 5.17 0.18 0.60 -4.36 -0.77 -5.01 121.20 118.68 1b8h s ILE 44 Ca 0.07 -0.88 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1b8h s ILE 44 Cb -0.15 -3.73 -0.13 0.00 1.25 0.00 0.00 42.46 39.70 1b8h s ILE 44 CO 0.06 -0.20 1.41 0.77 0.24 0.00 0.00 174.94 177.23 1b8h h SER 45 N 1.76 0.26 -3.52 4.36 4.64 -1.98 -3.44 113.55 115.63 1b8h h SER 45 Ca -0.50 -0.20 -0.52 0.00 -0.47 0.00 0.00 61.79 60.10 1b8h h SER 45 Cb 1.21 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1b8h h SER 45 CO 0.65 0.97 0.58 -1.81 -0.87 0.00 0.00 176.83 176.35 1b8h s ASP 46 N -6.92 7.03 -0.22 4.97 1.01 -1.26 -5.01 116.67 116.27 1b8h s ASP 46 Ca -0.03 2.31 -0.14 0.00 0.71 0.00 0.00 52.55 55.40 1b8h s ASP 46 Cb 0.10 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1b8h s ASP 46 CO 0.82 -0.40 0.31 -0.70 0.21 0.00 0.00 175.17 175.42 1b8h s GLU 47 N -0.44 4.12 -0.20 8.23 2.12 -1.26 -4.56 118.70 126.71 1b8h s GLU 47 Ca 0.53 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 1b8h s GLU 47 Cb -0.34 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1b8h s GLU 47 CO 0.39 -0.04 1.01 0.42 -0.54 0.00 0.00 175.26 176.50 1b8h s ILE 48 N 1.33 4.72 -0.73 -3.70 1.01 0.02 -4.70 121.20 119.15 1b8h s ILE 48 Ca 0.15 2.00 0.16 0.00 0.00 0.00 0.00 60.65 62.96 1b8h s ILE 48 Cb -0.14 -4.30 0.65 0.00 0.01 0.00 0.00 42.46 38.68 1b8h s ILE 48 CO 0.07 -0.12 1.57 -0.90 0.00 0.00 0.00 174.94 175.56 1b8h n ASP 49 N 5.92 4.57 -3.61 3.58 5.68 -1.26 -2.20 116.55 129.23 1b8h n ASP 49 Ca 0.11 -2.61 -0.07 0.00 -0.50 0.00 0.00 54.79 51.71 1b8h n ASP 49 Cb 0.47 -0.55 -0.05 0.00 -1.14 0.00 0.00 41.12 39.84 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 -2.14 -0.27 -0.25 2.11 -0.71 -1.26 -5.01 117.98 110.46 1b8h s PHE 50 Ca 0.47 0.52 -0.22 0.00 -1.04 0.00 0.00 56.93 56.66 1b8h s PHE 50 Cb 0.33 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.57 1b8h s PHE 50 CO 0.19 -0.22 0.69 -0.51 -1.34 0.00 0.00 175.22 174.03 1b8h s ASP 51 N -0.78 6.67 0.01 1.98 1.11 -1.26 -4.32 116.67 120.08 1b8h s ASP 51 Ca 0.03 0.82 -0.03 0.00 0.18 0.00 0.00 52.55 53.54 1b8h s ASP 51 Cb -0.02 -2.37 -0.01 0.00 1.07 0.00 0.00 42.92 41.59 1b8h s ASP 51 CO -0.04 -0.41 0.05 0.54 1.18 0.00 0.00 175.17 176.49 1b8h s VAL 52 N 2.56 0.10 -0.12 -1.27 0.11 -0.92 -5.02 120.40 115.83 1b8h s VAL 52 Ca 0.29 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1b8h s VAL 52 Cb -0.15 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1b8h s VAL 52 CO 0.08 -0.44 -0.15 0.00 -3.33 0.00 0.00 175.10 171.26 1b8h s ALA 53 N -1.42 2.56 -0.14 1.54 0.00 -1.26 -0.18 121.76 122.86 1b8h s ALA 53 Ca -0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1b8h s ALA 53 Cb -0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1b8h s ALA 53 CO 0.00 0.26 -0.02 -0.51 0.00 0.00 0.00 175.76 175.49 1b8h s LEU 54 N 0.34 3.35 -0.05 0.00 1.43 0.11 -0.52 118.68 123.33 1b8h s LEU 54 Ca -0.12 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1b8h s LEU 54 Cb -0.16 -1.80 -0.31 0.00 0.03 0.00 0.00 46.19 43.95 1b8h s LEU 54 CO 0.06 0.22 0.81 0.22 0.23 0.00 0.00 176.35 177.89 1b8h h TYR 55 N 6.34 0.59 -3.20 0.29 3.20 -1.86 -0.59 116.97 121.74 1b8h h TYR 55 Ca -0.36 -0.43 -0.64 0.00 3.14 0.00 0.00 58.73 60.44 1b8h h TYR 55 Cb 1.19 -0.02 -0.40 0.00 1.54 0.00 0.00 36.73 39.03 1b8h h TYR 55 CO 0.55 1.43 -0.48 0.34 -1.64 0.00 0.00 178.16 178.36 1b8h s ASP 56 N -7.09 5.01 0.24 -2.11 -1.08 -1.26 -3.50 116.67 106.88 1b8h s ASP 56 Ca -0.15 -3.67 -0.06 0.00 -0.52 0.00 0.00 52.55 48.15 1b8h s ASP 56 Cb 0.02 -1.70 0.26 0.00 -1.46 0.00 0.00 42.92 40.04 1b8h s ASP 56 CO 0.83 -0.14 1.91 0.25 0.52 0.00 0.00 175.17 178.55 1b8h h LEU 57 N 5.75 1.09 -0.75 -1.34 5.85 -0.92 -2.36 115.31 122.64 1b8h h LEU 57 Ca 0.11 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1b8h h LEU 57 Cb 0.79 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1b8h h LEU 57 CO 0.74 0.78 -0.38 -1.13 -0.34 0.00 0.00 178.44 178.11 1b8h h ASN 58 N 1.28 0.53 0.69 1.25 -1.24 -1.90 -2.00 115.58 114.20 1b8h h ASN 58 Ca 0.36 -0.23 -0.13 0.00 0.71 0.00 0.00 56.30 57.02 1b8h h ASN 58 Cb -0.11 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1b8h h ASN 58 CO -0.09 0.87 -0.61 0.28 -1.29 0.00 0.00 177.43 176.59 1b8h h SER 59 N 0.43 0.00 -0.02 1.15 0.02 -1.88 -2.82 113.55 110.44 1b8h h SER 59 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1b8h h SER 59 Cb 0.86 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1b8h h SER 59 CO 0.07 0.61 -0.01 0.15 -1.14 0.00 0.00 176.83 176.51 1b8h h PHE 60 N 0.00 0.04 -0.52 3.45 3.57 -1.16 -2.82 116.94 119.50 1b8h h PHE 60 Ca -0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1b8h h PHE 60 Cb 1.11 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1b8h h PHE 60 CO 0.00 0.43 0.34 -0.07 -2.23 0.00 0.00 178.31 176.79 1b8h h LEU 61 N -0.37 0.53 -0.62 0.59 3.38 -1.34 -1.91 115.31 115.57 1b8h h LEU 61 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1b8h h LEU 61 Cb 0.42 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1b8h h LEU 61 CO 0.00 0.37 0.17 0.28 0.09 0.00 0.00 178.44 179.35 1b8h h SER 62 N 0.62 0.92 -0.02 -0.43 0.02 -1.44 -2.30 113.55 110.92 1b8h h SER 62 Ca 0.20 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b8h h SER 62 Cb 0.06 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1b8h h SER 62 CO -0.05 0.90 0.03 0.40 -1.14 0.00 0.00 176.83 176.96 1b8h h ILE 63 N 0.90 0.34 -0.00 3.27 1.08 -1.08 -2.16 117.51 119.85 1b8h h ILE 63 Ca 0.20 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.53 1b8h h ILE 63 Cb 0.32 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1b8h h ILE 63 CO -0.00 0.00 -0.63 -0.07 -0.69 0.00 0.00 178.15 176.76 1b8h h LEU 64 N 0.00 0.01 -0.46 1.44 3.38 -1.33 -3.06 115.31 115.30 1b8h h LEU 64 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b8h h LEU 64 Cb 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1b8h h LEU 64 CO -0.00 0.63 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 1b8h n SER 65 N -3.80 0.56 -0.36 -0.43 3.41 -0.81 -1.89 113.62 110.30 1b8h n SER 65 Ca -0.01 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1b8h n SER 65 Cb 0.62 -0.74 0.41 0.00 -0.26 0.00 0.00 64.21 64.24 1b8h n SER 65 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b8h n LEU 66 N -2.10 1.29 -4.67 1.04 4.77 -1.15 -4.93 117.00 111.26 1b8h n LEU 66 Ca 0.03 -0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 55.32 1b8h n LEU 66 Cb 0.25 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1b8h n LEU 66 CO 0.21 0.23 -0.23 0.68 -1.33 0.00 0.00 177.39 176.95 1b8h s VAL 67 N -2.31 0.90 0.69 4.08 -7.23 -0.79 -5.12 120.40 110.61 1b8h s VAL 67 Ca 0.29 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.29 1b8h s VAL 67 Cb 0.20 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1b8h s VAL 67 CO 0.45 0.00 0.63 -0.24 -0.31 0.00 0.00 175.10 175.63 1b8h n SER 68 N -1.31 -0.76 0.21 4.85 2.88 -1.26 -4.90 113.62 113.32 1b8h n SER 68 Ca -0.14 0.64 0.10 0.00 -1.33 0.00 0.00 58.87 58.15 1b8h n SER 68 Cb 0.66 -1.25 0.19 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.18 0.00 -0.01 -3.46 5.19 -1.98 -3.07 116.42 112.92 1b8h h ASP 69 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1b8h h ASP 69 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1b8h h ASP 69 CO 0.45 0.12 -0.81 -0.90 -3.12 0.00 0.00 179.24 174.97 1b8h n ASP 70 N -3.14 1.35 -2.12 6.45 5.75 -1.26 -4.82 116.55 118.76 1b8h n ASP 70 Ca 0.03 -1.17 -0.22 0.00 -0.01 0.00 0.00 54.79 53.42 1b8h n ASP 70 Cb 0.55 0.82 -0.01 0.00 -1.03 0.00 0.00 41.12 41.45 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 -0.98 -2.01 -2.79 2.12 0.00 -1.16 -4.88 120.51 110.82 1b8h n ALA 71 Ca 0.06 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 1b8h n ALA 71 Cb 0.37 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.49 3.96 -0.20 0.00 2.56 -0.78 -4.67 118.70 119.08 1b8h s GLU 72 Ca 0.30 -0.34 -0.09 0.00 0.00 0.00 0.00 54.97 54.85 1b8h s GLU 72 Cb -0.40 -3.38 -0.04 0.00 2.00 0.00 0.00 34.13 32.31 1b8h s GLU 72 CO 0.29 0.09 0.10 0.42 -0.56 0.00 0.00 175.26 175.59 1b8h s ILE 73 N 0.92 5.06 0.35 -3.70 1.01 0.48 0.07 121.20 125.38 1b8h s ILE 73 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 1b8h s ILE 73 Cb -0.13 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1b8h s ILE 73 CO 0.03 0.43 0.52 -0.94 0.00 0.00 0.00 174.94 174.98 1b8h s SER 74 N 0.52 0.75 -0.30 3.58 1.04 -0.35 0.50 113.70 119.45 1b8h s SER 74 Ca 0.05 -1.42 -0.18 0.00 0.48 0.00 0.00 55.95 54.89 1b8h s SER 74 Cb -0.12 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1b8h s SER 74 CO 0.00 -1.35 0.53 -0.32 0.98 0.00 0.00 173.24 173.07 1b8h s MET 75 N -2.97 3.89 0.80 4.02 1.75 -1.26 -0.82 119.30 124.71 1b8h s MET 75 Ca 0.28 0.15 -0.12 0.00 -1.25 0.00 0.00 55.69 54.75 1b8h s MET 75 Cb -0.01 -3.72 0.07 0.00 2.84 0.00 0.00 34.83 34.01 1b8h s MET 75 CO 0.19 -0.48 1.15 -1.58 -0.65 0.00 0.00 175.02 173.64 1b8h s HIS 76 N 2.38 2.97 0.50 4.11 2.46 0.10 -4.88 115.29 122.93 1b8h s HIS 76 Ca 0.21 0.87 0.17 0.00 0.47 0.00 0.00 55.06 56.78 1b8h s HIS 76 Cb -0.15 -3.35 1.24 0.00 -0.13 0.00 0.00 32.58 30.19 1b8h s HIS 76 CO 0.11 -1.72 2.08 1.79 -2.47 0.00 0.00 174.74 174.53 1b8h h THR 77 N -1.03 0.93 -0.19 0.89 1.35 -1.98 -1.95 112.91 110.93 1b8h h THR 77 Ca -0.46 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1b8h h THR 77 Cb 1.31 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1b8h h THR 77 CO 0.64 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 1b8h n ASP 78 N -4.48 1.45 0.00 5.36 5.75 -1.26 -4.91 116.55 118.46 1b8h n ASP 78 Ca 0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1b8h n ASP 78 Cb 0.26 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.04 0.90 2.52 6.12 0.00 -0.73 -5.05 105.19 109.98 1b8h n GLY 79 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 1.07 -4.77 1.61 5.03 -1.26 -4.56 115.26 112.38 1b8h n ASN 80 Ca 0.00 -1.84 -0.37 0.00 0.87 0.00 0.00 54.58 53.24 1b8h n ASN 80 Cb 0.00 -0.36 -0.07 0.00 -1.02 0.00 0.00 39.78 38.33 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 -1.68 5.25 -0.20 2.41 1.01 0.80 -0.72 121.20 128.07 1b8h s ILE 81 Ca 0.41 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 1b8h s ILE 81 Cb -0.03 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1b8h s ILE 81 CO 0.27 0.45 -0.09 -0.75 0.00 0.00 0.00 174.94 174.82 1b8h s LYS 82 N -0.03 3.30 -0.56 2.79 2.20 0.00 -0.00 119.74 127.43 1b8h s LYS 82 Ca 0.19 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 1b8h s LYS 82 Cb -0.14 -2.86 0.14 0.00 -1.51 0.00 0.00 37.83 33.46 1b8h s LYS 82 CO 0.07 -0.14 0.45 0.42 -0.36 0.00 0.00 175.35 175.79 1b8h s ILE 83 N 1.27 4.56 -0.18 5.43 1.01 0.14 -1.21 121.20 132.22 1b8h s ILE 83 Ca 0.03 -1.99 -0.29 0.00 0.00 0.00 0.00 60.65 58.40 1b8h s ILE 83 Cb -0.14 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1b8h s ILE 83 CO -0.04 -0.85 1.25 0.00 0.00 0.00 0.00 174.94 175.30 1b8h s ALA 84 N 1.03 3.64 0.44 9.38 0.00 0.11 -1.68 121.76 134.68 1b8h s ALA 84 Ca 0.09 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.53 1b8h s ALA 84 Cb -0.24 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1b8h s ALA 84 CO -0.02 -1.21 0.18 0.34 0.00 0.00 0.00 175.76 175.06 1b8h s ASP 85 N 1.99 4.40 0.16 0.00 2.15 0.31 -1.86 116.67 123.82 1b8h s ASP 85 Ca 0.54 -1.16 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 1b8h s ASP 85 Cb -0.21 -0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 42.09 1b8h s ASP 85 CO 0.15 -0.63 1.55 0.74 -0.17 0.00 0.00 175.17 176.80 1b8h h THR 86 N 1.36 0.01 0.00 1.71 2.02 -1.99 -3.17 112.91 112.84 1b8h h THR 86 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1b8h h THR 86 Cb 1.26 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1b8h h THR 86 CO 0.69 0.00 -0.01 0.54 0.37 0.00 0.00 175.52 177.12 1b8h n ARG 87 N -5.32 2.25 -4.17 6.66 3.00 -1.26 -5.08 116.66 112.75 1b8h n ARG 87 Ca 0.02 -1.33 -0.13 0.00 -0.01 0.00 0.00 57.85 56.40 1b8h n ARG 87 Cb 0.30 -0.91 -0.09 0.00 0.00 0.00 0.00 32.46 31.77 1b8h n ARG 87 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1b8h s SER 88 N -0.87 0.33 -0.04 0.55 1.04 -1.20 -5.16 113.70 108.36 1b8h s SER 88 Ca 0.01 -1.36 -0.00 0.00 0.48 0.00 0.00 55.95 55.08 1b8h s SER 88 Cb 0.01 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1b8h s SER 88 CO 0.00 -0.94 0.02 -0.89 0.98 0.00 0.00 173.24 172.40 1b8h s THR 89 N -3.99 0.12 -0.16 2.02 2.01 -1.26 -0.53 115.64 113.85 1b8h s THR 89 Ca 0.36 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1b8h s THR 89 Cb 0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1b8h s THR 89 CO 0.14 0.16 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.49 1b8h s VAL 90 N 1.36 3.81 0.07 3.82 1.01 -0.68 -4.97 120.40 124.83 1b8h s VAL 90 Ca -0.05 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1b8h s VAL 90 Cb -0.13 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1b8h s VAL 90 CO -0.03 0.49 0.00 -0.31 0.00 0.00 0.00 175.10 175.26 1b8h s TYR 91 N 0.41 3.01 0.00 5.22 2.02 -1.26 0.26 117.35 127.02 1b8h s TYR 91 Ca -0.04 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1b8h s TYR 91 Cb -0.14 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1b8h s TYR 91 CO 0.03 0.48 -0.02 -0.46 -1.57 0.00 0.00 175.55 174.00 1b8h s TRP 92 N -1.27 0.21 0.16 2.71 -0.11 0.99 -4.97 118.94 116.67 1b8h s TRP 92 Ca 0.25 -0.13 -0.31 0.00 1.22 0.00 0.00 56.10 57.13 1b8h s TRP 92 Cb -0.12 -0.14 -0.10 0.00 -1.50 0.00 0.00 33.47 31.62 1b8h s TRP 92 CO 0.17 -0.03 1.55 -1.25 -4.62 0.00 0.00 176.95 172.77 1b8h s PRO 93 N -0.33 4.22 -0.15 5.86 0.04 -1.26 -0.14 135.00 143.25 1b8h s PRO 93 Ca -0.02 2.34 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1b8h s PRO 93 Cb -0.03 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1b8h s PRO 93 CO -0.00 -0.59 0.54 0.00 0.04 0.00 0.00 177.00 176.99 1b8h s ALA 94 N 1.11 3.49 0.63 8.56 0.00 -1.26 -4.77 121.76 129.51 1b8h s ALA 94 Ca 0.69 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1b8h s ALA 94 Cb -0.43 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1b8h s ALA 94 CO 0.31 -0.22 0.98 0.00 0.00 0.00 0.00 175.76 176.83 1b8h s ALA 95 N 1.13 3.14 -0.30 0.00 0.00 0.32 -4.97 121.76 121.08 1b8h s ALA 95 Ca 0.27 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1b8h s ALA 95 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1b8h s ALA 95 CO 0.11 -0.89 0.52 0.34 0.00 0.00 0.00 175.76 175.83 1b8h s ASP 96 N -4.30 6.38 0.34 0.00 -1.08 -1.26 -4.44 116.67 112.31 1b8h s ASP 96 Ca 0.55 0.28 0.27 0.00 -0.52 0.00 0.00 52.55 53.14 1b8h s ASP 96 Cb -0.11 -2.28 1.13 0.00 -1.46 0.00 0.00 42.92 40.20 1b8h s ASP 96 CO 0.48 -0.37 1.12 0.29 0.52 0.00 0.00 175.17 177.21 1b8h n LYS 97 N 5.64 -0.02 0.27 4.34 5.02 -1.26 -0.39 118.16 131.77 1b8h n LYS 97 Ca -0.04 0.87 0.18 0.00 -2.02 0.00 0.00 58.31 57.30 1b8h n LYS 97 Cb 0.49 -1.79 0.88 0.00 -0.02 0.00 0.00 35.03 34.59 1b8h n LYS 97 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1b8h h SER 98 N 0.00 0.00 -0.41 4.39 4.64 -2.03 -2.57 113.55 117.57 1b8h h SER 98 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1b8h h SER 98 Cb 2.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 1b8h h SER 98 CO -0.24 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.07 1b8h n THR 99 N -2.90 0.54 -4.10 2.95 -2.24 0.48 -4.90 114.28 104.11 1b8h n THR 99 Ca -0.01 -0.60 -0.08 0.00 -2.27 0.00 0.00 64.05 61.09 1b8h n THR 99 Cb 0.17 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.46 0.31 -0.22 2.28 -4.36 -0.97 -5.02 121.20 111.77 1b8h s ILE 100 Ca 0.33 -1.75 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 1b8h s ILE 100 Cb 0.18 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 1b8h s ILE 100 CO 0.24 -0.92 0.01 -0.69 0.24 0.00 0.00 174.94 173.81 1b8h s VAL 101 N -3.62 3.91 0.07 8.37 1.01 -1.26 -4.98 120.40 123.90 1b8h s VAL 101 Ca 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1b8h s VAL 101 Cb 0.06 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1b8h s VAL 101 CO -0.08 0.41 0.05 0.72 0.00 0.00 0.00 175.10 176.19 1b8h s PHE 102 N 1.25 0.40 0.37 5.22 -0.12 -1.26 -4.67 117.98 119.17 1b8h s PHE 102 Ca 0.04 -0.91 -0.25 0.00 -0.05 0.00 0.00 56.93 55.76 1b8h s PHE 102 Cb -0.15 -0.28 -0.10 0.00 -0.63 0.00 0.00 43.02 41.87 1b8h s PHE 102 CO 0.01 -0.44 1.00 -2.14 -0.05 0.00 0.00 175.22 173.60 1b8h s PRO 103 N -3.90 4.36 0.00 1.99 0.02 -1.26 -4.96 135.00 131.24 1b8h s PRO 103 Ca 0.07 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.53 1b8h s PRO 103 Cb 0.07 -2.63 -0.25 0.00 0.02 0.00 0.00 34.50 31.71 1b8h s PRO 103 CO -0.10 0.05 0.84 -0.91 -0.33 0.00 0.00 177.00 176.56 1b8h h ASN 104 N 2.75 0.19 -5.11 2.53 -0.26 -2.02 -3.47 115.58 110.19 1b8h h ASN 104 Ca -0.48 -0.30 -0.13 0.00 -0.56 0.00 0.00 56.30 54.83 1b8h h ASN 104 Cb 1.20 -0.06 -0.17 0.00 -1.06 0.00 0.00 38.32 38.22 1b8h h ASN 104 CO 0.63 1.25 -0.61 -1.59 -1.06 0.00 0.00 177.43 176.06 1b8h s LYS 105 N -2.62 0.54 0.86 0.81 -2.85 -1.26 -5.16 119.74 110.05 1b8h s LYS 105 Ca -0.07 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 53.91 1b8h s LYS 105 Cb 0.08 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.15 1b8h s LYS 105 CO 0.83 -0.12 1.10 -1.25 0.10 0.00 0.00 175.35 176.02 1b8h s PRO 106 N -2.80 1.57 0.17 1.78 0.04 -1.26 -5.03 135.00 129.47 1b8h s PRO 106 Ca -0.03 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 61.41 1b8h s PRO 106 Cb -0.00 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1b8h s PRO 106 CO -0.06 -1.97 0.67 0.42 0.04 0.00 0.00 177.00 176.11 1b8h s ILE 107 N -3.12 4.62 -0.68 0.56 -1.09 -1.26 -5.04 121.20 115.19 1b8h s ILE 107 Ca 0.62 1.27 -0.05 0.00 -2.23 0.00 0.00 60.65 60.26 1b8h s ILE 107 Cb -0.16 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.01 1b8h s ILE 107 CO 0.55 0.34 0.52 -1.58 -1.23 0.00 0.00 174.94 173.55 1b8h s GLN 108 N -1.64 2.83 0.04 2.79 2.00 -1.26 -5.06 119.66 119.35 1b8h s GLN 108 Ca 0.38 -2.54 -0.30 0.00 -2.00 0.00 0.00 55.36 50.89 1b8h s GLN 108 Cb -0.18 -3.90 -0.08 0.00 0.80 0.00 0.00 33.01 29.65 1b8h s GLN 108 CO 0.21 -1.20 1.86 0.12 -0.50 0.00 0.00 175.29 175.78 1b8h s PHE 109 N -0.06 1.65 1.16 1.67 5.36 -1.26 -4.96 117.98 121.54 1b8h s PHE 109 Ca 0.17 -0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.78 1b8h s PHE 109 Cb -0.18 -4.15 0.21 0.00 -0.34 0.00 0.00 43.02 38.56 1b8h s PHE 109 CO -0.05 -5.01 0.52 -0.35 -1.46 0.00 0.00 175.22 168.87 1b8h n PRO 110 N 6.99 -2.15 -1.90 10.12 -0.04 -1.26 -4.87 135.00 141.89 1b8h n PRO 110 Ca 0.19 -0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 62.63 1b8h n PRO 110 Cb 0.41 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1b8h n PRO 110 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b8h s VAL 111 N -2.31 2.32 0.19 0.52 0.11 -1.26 -4.90 120.40 115.06 1b8h s VAL 111 Ca 0.63 0.29 -0.33 0.00 -2.93 0.00 0.00 61.98 59.64 1b8h s VAL 111 Cb -0.19 -3.19 -0.13 0.00 -1.53 0.00 0.00 36.38 31.35 1b8h s VAL 111 CO 0.66 0.06 1.69 0.00 -3.33 0.00 0.00 175.10 174.18 1b8h n ALA 112 N 1.47 2.34 0.00 1.54 0.00 -1.26 -4.91 120.51 119.70 1b8h n ALA 112 Ca 0.04 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 1b8h n ALA 112 Cb 0.39 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.25 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 6.65 0.46 -4.95 0.00 0.02 -1.56 -3.46 113.55 110.72 1b8h h SER 113 Ca -0.44 -0.79 -0.18 0.00 -0.84 0.00 0.00 61.79 59.54 1b8h h SER 113 Cb 1.22 -0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.40 1b8h h SER 113 CO 0.94 1.20 -0.70 -0.69 -1.14 0.00 0.00 176.83 176.43 1b8h s VAL 114 N -3.07 0.14 -0.06 2.27 1.01 -0.69 -5.02 120.40 114.99 1b8h s VAL 114 Ca -0.14 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1b8h s VAL 114 Cb 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1b8h s VAL 114 CO 0.81 -0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 174.74 1b8h s ILE 115 N -1.44 0.65 0.20 2.22 1.01 -1.26 -1.21 121.20 121.38 1b8h s ILE 115 Ca -0.15 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1b8h s ILE 115 Cb -0.10 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1b8h s ILE 115 CO -0.01 0.26 0.22 1.07 0.00 0.00 0.00 174.94 176.48 1b8h n THR 116 N 4.18 0.00 -3.85 2.92 5.66 0.58 -5.00 114.28 118.77 1b8h n THR 116 Ca -0.22 -1.27 -0.10 0.00 -3.05 0.00 0.00 64.05 59.42 1b8h n THR 116 Cb 0.51 0.69 -0.08 0.00 -1.55 0.00 0.00 70.33 69.90 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 -2.65 0.78 -0.05 1.09 -1.05 -1.26 0.12 118.70 115.67 1b8h s GLU 117 Ca 0.21 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1b8h s GLU 117 Cb 0.00 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 1b8h s GLU 117 CO 0.15 -0.24 -0.03 -1.50 0.95 0.00 0.00 175.26 174.59 1b8h s ILE 118 N -3.28 0.48 0.16 1.83 2.07 -0.73 -4.60 121.20 117.13 1b8h s ILE 118 Ca 0.00 -0.07 -0.24 0.00 -1.41 0.00 0.00 60.65 58.93 1b8h s ILE 118 Cb 0.02 -0.52 -0.08 0.00 0.13 0.00 0.00 42.46 42.01 1b8h s ILE 118 CO -0.08 0.22 0.75 -0.54 -1.91 0.00 0.00 174.94 173.38 1b8h s LYS 119 N 1.03 4.49 0.21 3.50 1.02 -1.26 -1.85 119.74 126.88 1b8h s LYS 119 Ca -0.09 1.08 0.12 0.00 0.02 0.00 0.00 55.97 57.10 1b8h s LYS 119 Cb -0.14 -3.21 0.76 0.00 -0.52 0.00 0.00 37.83 34.71 1b8h s LYS 119 CO -0.01 0.56 0.87 0.00 -0.92 0.00 0.00 175.35 175.86 1b8h n ALA 120 N 1.50 0.59 0.14 5.17 0.00 -1.11 0.82 120.51 127.63 1b8h n ALA 120 Ca -0.06 0.56 0.02 0.00 0.00 0.00 0.00 53.44 53.96 1b8h n ALA 120 Cb 0.49 -0.57 0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 0.23 0.00 4.81 -1.92 -2.49 114.58 115.21 1b8h h GLU 121 Ca 0.47 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.36 1b8h h GLU 121 Cb 1.28 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.69 1b8h h GLU 121 CO -0.41 0.55 -1.54 -0.44 -0.73 0.00 0.00 179.01 176.44 1b8h h ASP 122 N 0.00 0.76 -0.53 1.04 3.32 0.04 -2.87 116.42 118.19 1b8h h ASP 122 Ca -0.01 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.14 1b8h h ASP 122 Cb 1.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1b8h h ASP 122 CO 0.07 1.71 0.23 0.25 -1.72 0.00 0.00 179.24 179.78 1b8h h LEU 123 N 0.13 0.71 0.04 1.55 5.85 -1.53 0.12 115.31 122.18 1b8h h LEU 123 Ca -0.27 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1b8h h LEU 123 Cb 2.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 1b8h h LEU 123 CO 0.25 0.66 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.29 1b8h h GLN 124 N 0.71 -0.20 -0.36 1.25 4.15 -1.51 -1.22 115.11 117.93 1b8h h GLN 124 Ca 0.18 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1b8h h GLN 124 Cb 0.16 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1b8h h GLN 124 CO -0.02 -0.13 0.22 0.37 -1.93 0.00 0.00 178.83 177.34 1b8h h GLN 125 N -0.21 0.48 -0.67 1.69 4.15 -1.33 -0.98 115.11 118.25 1b8h h GLN 125 Ca 0.03 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1b8h h GLN 125 Cb 0.23 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1b8h h GLN 125 CO -0.08 0.36 0.45 1.25 -1.93 0.00 0.00 178.83 178.89 1b8h h LEU 126 N 0.47 0.39 0.09 -2.39 5.85 -0.50 0.21 115.31 119.42 1b8h h LEU 126 Ca 0.13 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1b8h h LEU 126 Cb 0.00 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 40.98 1b8h h LEU 126 CO -0.02 0.22 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.58 1b8h h LEU 127 N 0.43 0.42 0.31 2.25 4.07 -0.79 -2.67 115.31 119.32 1b8h h LEU 127 Ca 0.32 -0.90 -0.02 0.00 0.08 0.00 0.00 57.88 57.36 1b8h h LEU 127 Cb 0.67 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1b8h h LEU 127 CO -0.10 1.29 -0.15 0.03 -1.08 0.00 0.00 178.44 178.43 1b8h h ARG 128 N -0.38 -0.40 0.00 1.13 2.47 -0.84 -3.06 114.38 113.31 1b8h h ARG 128 Ca -0.11 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 1b8h h ARG 128 Cb 1.46 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.87 1b8h h ARG 128 CO 0.12 -0.17 -0.16 -0.24 0.56 0.00 0.00 179.97 180.08 1b8h h VAL 129 N -0.57 0.77 -0.08 2.04 3.04 -0.74 -2.94 116.25 117.77 1b8h h VAL 129 Ca -0.04 -0.64 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1b8h h VAL 129 Cb 0.42 1.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1b8h h VAL 129 CO 0.07 0.16 -0.04 0.28 -1.01 0.00 0.00 177.57 177.03 1b8h h SER 130 N 0.00 0.17 -0.74 3.17 0.02 -1.40 -0.89 113.55 113.89 1b8h h SER 130 Ca -0.00 -0.41 0.09 0.00 -0.84 0.00 0.00 61.79 60.63 1b8h h SER 130 Cb 0.37 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1b8h h SER 130 CO 0.02 0.55 0.48 0.03 -1.14 0.00 0.00 176.83 176.77 1b8h h ARG 131 N -0.20 0.63 0.47 3.45 -0.00 -1.43 -1.59 114.38 115.71 1b8h h ARG 131 Ca 0.02 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 1b8h h ARG 131 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.32 1b8h h ARG 131 CO 0.01 0.42 -0.23 0.78 0.00 0.00 0.00 179.97 180.95 1b8h h GLY 132 N 0.65 -0.66 -1.28 0.04 0.00 -1.32 -3.28 103.07 97.22 1b8h h GLY 132 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1b8h h GLY 132 CO -0.12 -0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.22 1b8h n LEU 133 N -4.35 0.93 -3.90 3.11 4.77 -0.37 -4.81 117.00 112.39 1b8h n LEU 133 Ca -0.08 -0.46 -0.28 0.00 -0.03 0.00 0.00 56.01 55.16 1b8h n LEU 133 Cb 0.25 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1b8h n LEU 133 CO 0.19 0.19 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 1b8h n GLN 134 N 0.34 -4.82 -3.37 3.23 3.00 -1.00 -4.87 117.38 109.89 1b8h n GLN 134 Ca 0.00 0.55 -0.38 0.00 -0.01 0.00 0.00 57.00 57.17 1b8h n GLN 134 Cb 0.19 -5.24 -0.06 0.00 0.00 0.00 0.00 30.24 25.13 1b8h n GLN 134 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1b8h s ILE 135 N -3.49 5.22 0.00 5.09 1.01 -0.63 -4.33 121.20 124.07 1b8h s ILE 135 Ca 0.41 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1b8h s ILE 135 Cb -0.21 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1b8h s ILE 135 CO 0.84 0.33 0.11 -0.90 0.00 0.00 0.00 174.94 175.32 1b8h n ASP 136 N 3.75 0.21 -3.70 3.58 5.75 -1.00 -4.69 116.55 120.46 1b8h n ASP 136 Ca -0.08 -0.58 -0.13 0.00 -0.01 0.00 0.00 54.79 53.99 1b8h n ASP 136 Cb 0.52 0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 41.23 1b8h n ASP 136 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1b8h s THR 137 N -0.70 0.06 0.20 2.12 -4.23 -1.18 -1.22 115.64 110.68 1b8h s THR 137 Ca 0.00 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1b8h s THR 137 Cb 0.00 -0.86 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1b8h s THR 137 CO 0.00 -0.27 0.03 0.27 -0.54 0.00 0.00 174.62 174.12 1b8h s ILE 138 N -2.08 0.62 -0.06 2.99 -4.36 -0.53 -1.85 121.20 115.94 1b8h s ILE 138 Ca -0.08 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 1b8h s ILE 138 Cb -0.02 -2.27 0.03 0.00 1.25 0.00 0.00 42.46 41.44 1b8h s ILE 138 CO 0.00 -0.33 -0.00 0.00 0.24 0.00 0.00 174.94 174.85 1b8h s ALA 139 N -3.70 0.58 -0.41 2.27 0.00 -0.84 -1.47 121.76 118.19 1b8h s ALA 139 Ca 0.28 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 1b8h s ALA 139 Cb 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1b8h s ALA 139 CO 0.07 -0.31 0.31 0.42 0.00 0.00 0.00 175.76 176.24 1b8h s ILE 140 N 1.63 5.25 0.19 0.00 1.01 -0.29 -1.58 121.20 127.41 1b8h s ILE 140 Ca -0.00 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1b8h s ILE 140 Cb -0.13 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1b8h s ILE 140 CO -0.03 -0.33 -0.10 0.28 0.00 0.00 0.00 174.94 174.76 1b8h s THR 141 N 1.70 1.40 0.11 2.92 -1.32 -0.63 -1.47 115.64 118.35 1b8h s THR 141 Ca 0.05 -2.12 -0.19 0.00 -1.21 0.00 0.00 61.69 58.22 1b8h s THR 141 Cb -0.19 -2.02 -0.07 0.00 -1.51 0.00 0.00 72.50 68.71 1b8h s THR 141 CO 0.10 -0.61 0.61 0.54 -2.21 0.00 0.00 174.62 173.05 1b8h s ASN 142 N -3.26 7.07 -0.30 8.08 4.22 -1.17 -0.89 114.94 128.69 1b8h s ASN 142 Ca 0.21 1.30 -0.14 0.00 -2.14 0.00 0.00 52.86 52.09 1b8h s ASN 142 Cb 0.02 -2.37 0.16 0.00 1.28 0.00 0.00 41.25 40.33 1b8h s ASN 142 CO 0.05 0.21 0.92 -0.75 -2.04 0.00 0.00 177.10 175.49 1b8h s LYS 143 N -1.35 0.35 -1.18 3.55 2.20 0.16 -4.90 119.74 118.58 1b8h s LYS 143 Ca 0.33 0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 56.72 1b8h s LYS 143 Cb -0.19 0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1b8h s LYS 143 CO 0.20 -0.13 0.79 -0.25 -0.36 0.00 0.00 175.35 175.60 1b8h n ASP 144 N 5.09 -4.06 -2.38 1.43 8.00 -1.26 -2.20 116.55 121.17 1b8h n ASP 144 Ca -0.09 -0.86 -0.21 0.00 0.71 0.00 0.00 54.79 54.34 1b8h n ASP 144 Cb 0.52 -4.11 -0.01 0.00 -0.02 0.00 0.00 41.12 37.49 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 -1.52 -0.43 3.28 0.44 0.00 -1.26 -4.95 105.19 100.75 1b8h n GLY 145 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.01 1.01 -0.24 1.61 1.02 -0.93 -0.08 119.74 117.11 1b8h s LYS 146 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 1b8h s LYS 146 Cb 0.00 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1b8h s LYS 146 CO 0.00 -0.36 0.06 0.42 -0.92 0.00 0.00 175.35 174.55 1b8h s ILE 147 N -3.89 4.29 0.15 2.17 -1.09 -0.18 0.37 121.20 123.02 1b8h s ILE 147 Ca 0.09 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.39 1b8h s ILE 147 Cb 0.04 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1b8h s ILE 147 CO -0.07 0.36 -0.14 0.68 -1.23 0.00 0.00 174.94 174.54 1b8h s VAL 148 N 1.41 1.49 -0.12 2.92 -7.23 -0.07 -0.37 120.40 118.43 1b8h s VAL 148 Ca 0.05 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1b8h s VAL 148 Cb -0.15 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1b8h s VAL 148 CO 0.03 -0.49 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.64 1b8h s ILE 149 N -2.50 3.70 -0.09 -0.62 1.01 0.15 -1.61 121.20 121.25 1b8h s ILE 149 Ca 0.14 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1b8h s ILE 149 Cb -0.03 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1b8h s ILE 149 CO 0.04 0.54 -0.19 0.20 0.00 0.00 0.00 174.94 175.52 1b8h s ASN 150 N -0.05 3.52 -0.00 3.58 0.01 -0.61 -1.23 114.94 120.15 1b8h s ASN 150 Ca 0.00 -0.41 -0.11 0.00 -0.71 0.00 0.00 52.86 51.63 1b8h s ASN 150 Cb -0.13 -1.18 -0.05 0.00 0.41 0.00 0.00 41.25 40.29 1b8h s ASN 150 CO 0.03 0.22 0.34 -0.83 -1.51 0.00 0.00 177.10 175.35 1b8h s GLY 151 N -0.01 2.36 0.05 0.66 0.00 0.12 -1.99 107.32 108.51 1b8h s GLY 151 Ca -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1b8h s GLY 151 CO 0.05 -0.09 -0.00 -0.19 0.00 0.00 0.00 173.10 172.87 1b8h s TYR 152 N -1.17 0.44 -0.77 1.90 1.51 -0.77 -0.91 117.35 117.57 1b8h s TYR 152 Ca 0.25 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1b8h s TYR 152 Cb -0.15 -0.32 0.19 0.00 -0.11 0.00 0.00 41.96 41.57 1b8h s TYR 152 CO 0.13 -0.37 0.62 1.21 -1.11 0.00 0.00 175.55 176.02 1b8h s ASN 153 N -2.71 5.53 0.61 2.29 3.84 -1.26 -2.37 114.94 120.88 1b8h s ASN 153 Ca 0.04 -3.45 0.26 0.00 0.21 0.00 0.00 52.86 49.91 1b8h s ASN 153 Cb 0.05 -1.84 1.01 0.00 -0.55 0.00 0.00 41.25 39.92 1b8h s ASN 153 CO -0.09 -0.23 1.42 0.50 -2.79 0.00 0.00 177.10 175.92 1b8h h LYS 154 N 6.25 0.00 0.07 0.43 3.64 -1.87 -1.04 116.57 124.05 1b8h h LYS 154 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1b8h h LYS 154 Cb 0.85 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1b8h h LYS 154 CO 0.78 0.00 -0.21 0.28 -2.27 0.00 0.00 179.45 178.03 1b8h h VAL 155 N 0.00 0.00 -0.01 2.00 2.07 -1.93 -1.99 116.25 116.40 1b8h h VAL 155 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1b8h h VAL 155 Cb 2.49 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1b8h h VAL 155 CO -0.00 0.00 -0.40 -1.84 0.02 0.00 0.00 177.57 175.35 1b8h n GLU 156 N -3.64 0.66 -3.03 1.57 0.28 -0.48 -4.35 120.64 111.65 1b8h n GLU 156 Ca -0.04 -0.43 -0.19 0.00 -0.16 0.00 0.00 57.16 56.34 1b8h n GLU 156 Cb 0.17 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.53 1b8h n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b8h n ASP 157 N -0.79 1.87 0.27 -1.84 2.03 -0.69 -4.92 116.55 112.47 1b8h n ASP 157 Ca 0.10 -3.15 0.18 0.00 0.52 0.00 0.00 54.79 52.44 1b8h n ASP 157 Cb 0.36 -0.59 0.93 0.00 -0.72 0.00 0.00 41.12 41.10 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 2.98 0.00 1.69 1.67 4.64 -1.55 0.27 113.55 123.25 1b8h h SER 158 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1b8h h SER 158 Cb 0.90 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1b8h h SER 158 CO 0.58 0.00 -0.31 1.23 -0.87 0.00 0.00 176.83 177.46 1b8h h GLY 159 N 0.00 0.00 -4.48 -0.77 0.00 -1.91 -3.49 103.07 92.42 1b8h h GLY 159 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1b8h h GLY 159 CO -0.00 0.00 -0.28 1.04 0.00 0.00 0.00 176.54 177.30 1b8h n LEU 160 N -3.00 -4.58 0.00 3.11 4.32 0.95 -4.96 117.00 112.84 1b8h n LEU 160 Ca 0.03 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 1b8h n LEU 160 Cb 0.56 -2.29 0.00 0.00 -1.62 0.00 0.00 43.42 40.06 1b8h n LEU 160 CO 0.36 -0.29 0.03 0.35 -1.22 0.00 0.00 177.39 176.62 1b8h n THR 161 N -2.05 0.00 -3.82 -5.08 -2.24 -1.26 -4.88 114.28 94.94 1b8h n THR 161 Ca -0.02 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 1b8h n THR 161 Cb 0.54 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.48 2.10 0.29 -0.78 0.52 -1.26 -5.09 118.95 114.25 1b8h s ARG 162 Ca 0.00 -2.99 -0.29 0.00 -0.52 0.00 0.00 55.73 51.93 1b8h s ARG 162 Cb 0.00 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.32 1b8h s ARG 162 CO 0.00 -1.27 1.38 -1.25 0.02 0.00 0.00 175.30 174.18 1b8h s PRO 163 N -0.97 4.30 0.02 3.54 0.04 -1.26 -4.74 135.00 135.93 1b8h s PRO 163 Ca 0.24 2.28 0.21 0.00 0.04 0.00 0.00 61.00 63.78 1b8h s PRO 163 Cb -0.08 -3.08 -0.24 0.00 0.04 0.00 0.00 34.50 31.14 1b8h s PRO 163 CO -0.14 -0.32 0.60 1.63 0.04 0.00 0.00 177.00 178.82 1b8h n LYS 164 N 1.50 0.65 -3.93 4.56 5.02 -0.09 -4.95 118.16 120.92 1b8h n LYS 164 Ca 0.03 -0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1b8h n LYS 164 Cb 0.41 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 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 -3.36 0.15 -0.08 2.13 5.04 -1.24 -4.96 117.35 115.03 1b8h s TYR 165 Ca -0.06 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.22 1b8h s TYR 165 Cb 0.12 -0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.36 1b8h s TYR 165 CO 0.87 -0.18 0.18 0.45 -1.34 0.00 0.00 175.55 175.52 1b8h s SER 166 N -1.18 0.16 -0.11 4.32 0.15 -1.26 0.13 113.70 115.91 1b8h s SER 166 Ca -0.13 0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1b8h s SER 166 Cb -0.08 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1b8h s SER 166 CO -0.00 -0.19 -0.10 -0.22 1.20 0.00 0.00 173.24 173.93 1b8h s LEU 167 N 1.64 1.38 -0.15 3.45 2.96 -0.37 -4.98 118.68 122.62 1b8h s LEU 167 Ca -0.05 -0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 53.27 1b8h s LEU 167 Cb -0.12 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1b8h s LEU 167 CO -0.07 -0.08 0.78 -0.89 -1.32 0.00 0.00 176.35 174.77 1b8h s THR 168 N 1.48 4.94 0.00 3.68 2.01 -1.26 -0.68 115.64 125.81 1b8h s THR 168 Ca 0.02 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.55 1b8h s THR 168 Cb -0.13 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1b8h s THR 168 CO -0.07 0.09 0.00 0.18 -0.69 0.00 0.00 174.62 174.13 1b8h n LEU 169 N 4.90 0.00 -4.57 4.42 4.77 0.50 -5.00 117.00 122.02 1b8h n LEU 169 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.75 1b8h n LEU 169 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1b8h n LEU 169 CO 0.47 0.00 -0.36 0.42 -1.33 0.00 0.00 177.39 176.59 1b8h s THR 170 N 0.28 2.35 0.73 -5.08 -4.23 -1.24 -4.94 115.64 103.51 1b8h s THR 170 Ca 0.00 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.24 1b8h s THR 170 Cb 0.00 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1b8h s THR 170 CO 0.00 -0.20 1.11 -1.81 -0.54 0.00 0.00 174.62 173.18 1b8h s ASP 171 N -3.64 4.63 -0.18 3.99 1.01 -1.26 -1.01 116.67 120.21 1b8h s ASP 171 Ca 0.33 1.96 -0.17 0.00 0.71 0.00 0.00 52.55 55.38 1b8h s ASP 171 Cb 0.02 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1b8h s ASP 171 CO 0.17 -1.95 0.49 -0.47 0.21 0.00 0.00 175.17 173.62 1b8h s TYR 172 N -2.58 -0.54 0.00 4.23 5.04 0.88 -4.67 117.35 119.72 1b8h s TYR 172 Ca 0.65 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 1b8h s TYR 172 Cb -0.20 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1b8h s TYR 172 CO 0.49 -0.26 0.00 -0.25 -1.34 0.00 0.00 175.55 174.19 1b8h n ASP 173 N 2.78 0.30 -4.14 4.32 8.00 -1.26 -3.81 116.55 122.75 1b8h n ASP 173 Ca -0.13 -0.16 -0.36 0.00 0.71 0.00 0.00 54.79 54.84 1b8h n ASP 173 Cb 0.57 0.39 0.05 0.00 -0.02 0.00 0.00 41.12 42.10 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 0.48 -3.77 0.52 0.44 0.00 -1.26 -4.88 105.19 96.72 1b8h n GLY 174 Ca 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 2.34 1.59 -4.79 1.61 3.41 -1.26 -4.91 113.62 111.60 1b8h n SER 175 Ca 0.02 -1.59 -0.24 0.00 -0.26 0.00 0.00 58.87 56.79 1b8h n SER 175 Cb 0.53 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.81 4.64 0.02 4.04 0.01 -1.26 -5.12 114.94 115.46 1b8h s ASN 176 Ca 0.36 0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1b8h s ASN 176 Cb 0.19 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 1b8h s ASN 176 CO 0.30 -1.67 -0.04 0.20 -1.51 0.00 0.00 177.10 174.38 1b8h s ASN 177 N -4.59 0.43 -0.20 -1.22 0.01 -1.26 -5.00 114.94 103.11 1b8h s ASN 177 Ca 0.62 -0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 52.00 1b8h s ASN 177 Cb -0.08 0.07 0.15 0.00 0.41 0.00 0.00 41.25 41.79 1b8h s ASN 177 CO 0.44 -0.24 1.15 0.72 -1.51 0.00 0.00 177.10 177.66 1b8h s PHE 178 N -1.29 -0.22 -0.37 2.20 -0.12 -1.26 -2.29 117.98 114.62 1b8h s PHE 178 Ca -0.12 0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 1b8h s PHE 178 Cb -0.09 0.48 0.15 0.00 -0.63 0.00 0.00 43.02 42.93 1b8h s PHE 178 CO -0.00 -0.22 0.29 1.21 -0.05 0.00 0.00 175.22 176.45 1b8h s ASN 179 N -1.30 2.07 -0.33 1.98 2.47 0.18 -3.03 114.94 116.98 1b8h s ASN 179 Ca 0.04 -2.24 -0.25 0.00 0.42 0.00 0.00 52.86 50.83 1b8h s ASN 179 Cb -0.01 -0.12 0.01 0.00 -1.45 0.00 0.00 41.25 39.68 1b8h s ASN 179 CO -0.03 -0.26 0.88 -0.36 -3.72 0.00 0.00 177.10 173.61 1b8h s PHE 180 N 0.91 3.16 -0.11 0.43 0.08 -0.54 -2.08 117.98 119.83 1b8h s PHE 180 Ca 0.22 0.86 -0.17 0.00 0.12 0.00 0.00 56.93 57.96 1b8h s PHE 180 Cb -0.14 -3.42 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 1b8h s PHE 180 CO -0.05 -0.68 0.44 0.08 -0.10 0.00 0.00 175.22 174.91 1b8h s VAL 181 N 3.22 5.18 -0.09 -0.44 1.01 -1.26 -1.14 120.40 126.88 1b8h s VAL 181 Ca 0.36 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1b8h s VAL 181 Cb -0.13 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1b8h s VAL 181 CO 0.15 0.37 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 1b8h s ILE 182 N 0.35 1.33 -0.42 2.22 1.01 -0.54 -0.93 121.20 124.22 1b8h s ILE 182 Ca 0.24 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 1b8h s ILE 182 Cb -0.15 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1b8h s ILE 182 CO 0.10 0.40 1.69 0.21 0.00 0.00 0.00 174.94 177.34 1b8h s ASN 183 N 0.91 5.91 0.46 3.58 3.84 -1.26 -1.45 114.94 126.92 1b8h s ASN 183 Ca -0.09 0.94 0.32 0.00 0.21 0.00 0.00 52.86 54.24 1b8h s ASN 183 Cb -0.15 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.46 1b8h s ASN 183 CO 0.00 -1.76 1.65 -0.03 -2.79 0.00 0.00 177.10 174.17 1b8h h MET 184 N 12.58 0.10 -0.01 0.43 1.85 -1.49 0.31 114.93 128.70 1b8h h MET 184 Ca -0.30 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1b8h h MET 184 Cb 1.15 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.15 1b8h h MET 184 CO 1.09 0.07 0.07 0.00 -0.40 0.00 0.00 176.91 177.73 1b8h h ALA 185 N 1.51 1.13 -0.02 0.39 0.00 -1.90 -0.99 119.26 119.39 1b8h h ALA 185 Ca 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1b8h h ALA 185 Cb 2.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1b8h h ALA 185 CO -0.32 -0.07 -0.07 0.09 0.00 0.00 0.00 179.25 178.88 1b8h n ASN 186 N -3.13 1.63 -1.77 0.00 3.02 0.11 -4.50 115.26 110.63 1b8h n ASN 186 Ca -0.03 -1.45 -0.08 0.00 -0.03 0.00 0.00 54.58 52.99 1b8h n ASN 186 Cb 0.14 0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.17 1.50 -0.93 3.52 2.81 -0.38 -4.74 117.12 119.07 1b8h n MET 187 Ca 0.17 -0.67 -0.19 0.00 -1.81 0.00 0.00 57.70 55.20 1b8h n MET 187 Cb 0.39 -1.45 -0.10 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.57 2.21 -3.22 0.03 5.02 -1.26 -4.88 118.16 117.63 1b8h n LYS 188 Ca 0.20 -1.25 -0.40 0.00 -2.02 0.00 0.00 58.31 54.85 1b8h n LYS 188 Cb 0.63 -2.20 -0.07 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 1.84 5.08 0.64 -0.18 1.01 -1.26 -4.95 121.20 123.38 1b8h s ILE 189 Ca 0.57 0.97 -0.16 0.00 0.00 0.00 0.00 60.65 62.03 1b8h s ILE 189 Cb 0.22 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1b8h s ILE 189 CO -0.02 0.14 1.14 0.00 0.00 0.00 0.00 174.94 176.20 1b8h s GLN 190 N 1.86 2.81 0.68 2.79 -2.07 -1.26 -4.94 119.66 119.52 1b8h s GLN 190 Ca 0.24 1.54 -0.17 0.00 -1.82 0.00 0.00 55.36 55.15 1b8h s GLN 190 Cb -0.15 -1.94 -0.06 0.00 -1.09 0.00 0.00 33.01 29.77 1b8h s GLN 190 CO 0.09 -1.27 0.50 -0.35 -1.32 0.00 0.00 175.29 172.94 1b8h n PRO 191 N -2.18 0.35 0.00 9.60 -0.04 -1.26 -4.95 135.00 136.52 1b8h n PRO 191 Ca 0.11 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1b8h n PRO 191 Cb 0.51 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1b8h n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b8h n GLY 192 N 1.73 2.36 3.69 0.55 0.00 -1.26 -5.07 105.19 107.19 1b8h n GLY 192 Ca 0.10 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 6.80 -0.02 1.61 0.01 -1.26 -2.73 114.94 119.35 1b8h s ASN 193 Ca 0.00 0.97 0.07 0.00 -0.71 0.00 0.00 52.86 53.19 1b8h s ASN 193 Cb 0.00 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1b8h s ASN 193 CO 0.00 -0.18 -0.22 -0.31 -1.51 0.00 0.00 177.10 174.88 1b8h s TYR 194 N 1.34 1.94 -0.21 2.20 1.51 -0.77 -4.46 117.35 118.91 1b8h s TYR 194 Ca 0.32 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.80 1b8h s TYR 194 Cb -0.16 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1b8h s TYR 194 CO 0.13 -0.04 0.64 0.21 -1.11 0.00 0.00 175.55 175.39 1b8h s LYS 195 N -0.50 4.19 -0.21 -0.62 2.20 0.14 -1.77 119.74 123.18 1b8h s LYS 195 Ca 0.08 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.20 1b8h s LYS 195 Cb -0.08 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1b8h s LYS 195 CO -0.01 -0.29 0.22 0.08 -0.36 0.00 0.00 175.35 174.99 1b8h s VAL 196 N 2.07 5.34 -0.25 4.02 1.01 0.31 -1.33 120.40 131.56 1b8h s VAL 196 Ca 0.29 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1b8h s VAL 196 Cb -0.16 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1b8h s VAL 196 CO 0.10 0.36 -0.11 -0.04 0.00 0.00 0.00 175.10 175.41 1b8h s MET 197 N 0.81 2.33 -0.04 2.72 -1.94 -0.50 -0.31 119.30 122.36 1b8h s MET 197 Ca 0.11 -1.29 -0.06 0.00 -1.71 0.00 0.00 55.69 52.74 1b8h s MET 197 Cb -0.13 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 1b8h s MET 197 CO 0.03 -0.53 0.21 -0.51 -0.01 0.00 0.00 175.02 174.21 1b8h s LEU 198 N 1.13 4.39 -0.02 -0.03 1.43 -0.35 -1.50 118.68 123.72 1b8h s LEU 198 Ca -0.07 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1b8h s LEU 198 Cb -0.19 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1b8h s LEU 198 CO -0.06 0.32 0.02 0.86 0.23 0.00 0.00 176.35 177.72 1b8h s TRP 199 N -1.19 0.15 0.02 0.29 -0.00 -0.64 -1.34 118.94 116.22 1b8h s TRP 199 Ca 0.23 0.08 0.05 0.00 -0.00 0.00 0.00 56.10 56.45 1b8h s TRP 199 Cb -0.13 -0.32 -0.02 0.00 -0.00 0.00 0.00 33.47 33.01 1b8h s TRP 199 CO 0.12 -0.11 -0.15 0.20 -0.00 0.00 0.00 176.95 177.01 1b8h s GLY 200 N 1.09 0.77 -0.35 5.86 0.00 -1.26 -1.43 107.32 112.00 1b8h s GLY 200 Ca -0.09 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1b8h s GLY 200 CO -0.02 -0.69 0.68 0.00 0.00 0.00 0.00 173.10 173.07 1b8h s ALA 201 N -0.62 -2.69 0.00 3.20 0.00 0.35 -4.85 121.76 117.15 1b8h s ALA 201 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1b8h s ALA 201 Cb -0.07 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1b8h s ALA 201 CO 0.01 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1b8h n GLY 202 N 4.75 3.37 0.06 0.00 0.00 -1.26 -1.03 105.19 111.08 1b8h n GLY 202 Ca 0.08 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1b8h n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8h n ASP 203 N 5.57 0.23 -4.53 1.61 8.00 -1.26 -4.73 116.55 121.44 1b8h n ASP 203 Ca 0.00 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 1b8h n ASP 203 Cb 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 1b8h n ASP 203 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1b8h s LYS 204 N -2.30 3.44 -0.07 -1.24 1.02 -0.20 -5.00 119.74 115.39 1b8h s LYS 204 Ca 0.36 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1b8h s LYS 204 Cb 0.21 -3.87 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1b8h s LYS 204 CO 0.42 -0.78 -0.08 0.14 -0.92 0.00 0.00 175.35 174.13 1b8h s VAL 205 N 2.47 0.89 -0.03 3.17 -7.23 -1.26 -0.50 120.40 117.91 1b8h s VAL 205 Ca 0.19 -0.30 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 1b8h s VAL 205 Cb -0.15 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1b8h s VAL 205 CO 0.15 0.31 0.16 0.00 -0.31 0.00 0.00 175.10 175.41 1b8h s ALA 206 N 1.01 -0.38 0.04 1.32 0.00 -0.52 -2.48 121.76 120.75 1b8h s ALA 206 Ca -0.09 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1b8h s ALA 206 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1b8h s ALA 206 CO -0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 175.76 175.42 1b8h s ALA 207 N -0.62 2.55 -0.12 0.00 0.00 0.13 -1.63 121.76 122.07 1b8h s ALA 207 Ca -0.07 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1b8h s ALA 207 Cb -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.40 1b8h s ALA 207 CO 0.01 0.57 -0.03 0.21 0.00 0.00 0.00 175.76 176.52 1b8h s LYS 208 N -1.36 1.04 -0.25 0.00 2.20 -0.57 0.97 119.74 121.77 1b8h s LYS 208 Ca 0.14 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.44 1b8h s LYS 208 Cb -0.10 -1.51 -0.05 0.00 -1.51 0.00 0.00 37.83 34.65 1b8h s LYS 208 CO 0.04 -0.37 0.22 -0.06 -0.36 0.00 0.00 175.35 174.83 1b8h s PHE 209 N 1.82 3.29 -0.05 4.03 0.40 0.07 -1.41 117.98 126.12 1b8h s PHE 209 Ca 0.03 0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.68 1b8h s PHE 209 Cb -0.14 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 1b8h s PHE 209 CO -0.07 -0.04 -0.24 -2.00 0.70 0.00 0.00 175.22 173.56 1b8h s GLU 210 N 1.41 2.46 0.27 0.44 2.12 -0.44 -0.55 118.70 124.42 1b8h s GLU 210 Ca 0.10 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.57 1b8h s GLU 210 Cb -0.15 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.07 1b8h s GLU 210 CO 0.07 0.43 0.13 -1.13 -0.54 0.00 0.00 175.26 174.23 1b8h n SER 211 N 2.80 0.66 0.00 -1.70 3.41 -0.44 0.27 113.62 118.61 1b8h n SER 211 Ca -0.17 -2.53 0.12 0.00 -0.26 0.00 0.00 58.87 56.02 1b8h n SER 211 Cb 0.52 0.86 0.58 0.00 -0.26 0.00 0.00 64.21 65.90 1b8h n SER 211 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b8h n SER 212 N -1.80 0.00 -0.02 4.04 3.41 -1.26 -4.15 113.62 113.83 1b8h n SER 212 Ca -0.01 0.13 -0.05 0.00 -0.26 0.00 0.00 58.87 58.68 1b8h n SER 212 Cb 0.43 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.36 0.09 -4.55 4.33 1.13 -1.26 -5.03 117.38 110.74 1b8h n GLN 213 Ca 0.10 0.04 -0.26 0.00 -1.94 0.00 0.00 57.00 54.93 1b8h n GLN 213 Cb 0.22 -0.69 -0.08 0.00 0.11 0.00 0.00 30.24 29.80 1b8h n GLN 213 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b8h s VAL 214 N -2.08 0.76 -0.16 5.09 1.01 -1.26 -4.03 120.40 119.73 1b8h s VAL 214 Ca -0.06 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 59.78 1b8h s VAL 214 Cb 0.02 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1b8h s VAL 214 CO 0.08 0.00 0.43 -0.44 0.00 0.00 0.00 175.10 175.16 1b8h s SER 215 N -3.64 -0.45 -0.05 3.32 0.01 -0.94 -1.33 113.70 110.63 1b8h s SER 215 Ca 0.22 0.86 0.03 0.00 1.31 0.00 0.00 55.95 58.38 1b8h s SER 215 Cb 0.03 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.13 1b8h s SER 215 CO 0.13 -0.15 -0.15 -0.31 0.41 0.00 0.00 173.24 173.17 1b8h s TYR 216 N 0.31 1.53 -0.17 2.43 2.02 0.29 -1.83 117.35 121.94 1b8h s TYR 216 Ca -0.01 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1b8h s TYR 216 Cb -0.03 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1b8h s TYR 216 CO -0.00 -0.18 -0.03 0.08 -1.57 0.00 0.00 175.55 173.85 1b8h s VAL 217 N 0.21 3.90 -0.05 0.71 1.01 0.62 -0.75 120.40 126.05 1b8h s VAL 217 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1b8h s VAL 217 Cb -0.12 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1b8h s VAL 217 CO 0.02 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1b8h s ILE 218 N 0.60 1.02 0.24 2.22 1.01 0.27 -1.37 121.20 125.19 1b8h s ILE 218 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1b8h s ILE 218 Cb -0.14 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1b8h s ILE 218 CO 0.02 0.32 0.97 0.00 0.00 0.00 0.00 174.94 176.25 1b8h s ALA 219 N 0.47 3.35 -0.01 9.38 0.00 -1.05 0.21 121.76 134.11 1b8h s ALA 219 Ca -0.10 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1b8h s ALA 219 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1b8h s ALA 219 CO 0.02 0.13 0.10 -1.64 0.00 0.00 0.00 175.76 174.37 1b8h s MET 220 N -1.14 3.15 0.87 0.00 1.00 -1.03 -4.72 119.30 117.42 1b8h s MET 220 Ca 0.42 -0.45 -0.12 0.00 0.00 0.00 0.00 55.69 55.54 1b8h s MET 220 Cb -0.27 -2.91 0.11 0.00 0.00 0.00 0.00 34.83 31.76 1b8h s MET 220 CO 0.33 0.65 1.08 0.39 0.00 0.00 0.00 175.02 177.48 1b8h n GLU 221 N 1.13 -0.17 0.29 2.03 -0.58 -0.11 -4.79 120.64 118.44 1b8h n GLU 221 Ca -0.13 0.02 0.18 0.00 -0.42 0.00 0.00 57.16 56.82 1b8h n GLU 221 Cb 0.53 -2.34 0.83 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.43 1.02 -0.44 0.62 0.00 -1.95 -2.77 119.26 114.31 1b8h h ALA 222 Ca -0.44 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1b8h h ALA 222 Cb 1.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1b8h h ALA 222 CO 0.42 0.02 0.32 -0.44 0.00 0.00 0.00 179.25 179.57 1b8h h ASP 223 N 0.00 0.05 -1.50 0.00 3.32 -1.93 -3.44 116.42 112.93 1b8h h ASP 223 Ca -0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1b8h h ASP 223 Cb 0.37 -0.01 0.14 0.00 0.22 0.00 0.00 39.33 40.05 1b8h h ASP 223 CO 0.00 0.03 -0.84 -1.20 -1.72 0.00 0.00 179.24 175.51 1b8h n SER 224 N -4.42 -2.46 -3.82 6.45 7.64 -1.05 -4.92 113.62 111.04 1b8h n SER 224 Ca 0.07 0.87 -0.13 0.00 1.01 0.00 0.00 58.87 60.69 1b8h n SER 224 Cb 0.48 -0.88 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 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 -1.50 -0.01 -0.01 0.44 -4.23 -0.88 -4.99 115.64 104.45 1b8h s THR 225 Ca 0.59 0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.86 1b8h s THR 225 Cb -0.69 -0.14 0.09 0.00 1.34 0.00 0.00 72.50 73.10 1b8h s THR 225 CO 0.60 0.02 0.79 -1.38 -0.54 0.00 0.00 174.62 174.11 1b8h s HIS 226 N 0.27 -0.48 -0.63 3.99 -3.43 -1.26 -0.65 115.29 113.11 1b8h s HIS 226 Ca -0.02 0.57 0.04 0.00 -0.80 0.00 0.00 55.06 54.85 1b8h s HIS 226 Cb -0.03 0.49 0.35 0.00 -1.43 0.00 0.00 32.58 31.96 1b8h s HIS 226 CO -0.01 -0.59 1.12 -0.40 -2.00 0.00 0.00 174.74 172.86 1b8h n ASP 227 N 0.24 4.99 -0.89 7.38 5.68 -0.97 -4.99 116.55 127.99 1b8h n ASP 227 Ca -0.14 -3.70 0.11 0.00 -0.50 0.00 0.00 54.79 50.57 1b8h n ASP 227 Cb 0.60 -0.64 0.09 0.00 -1.14 0.00 0.00 41.12 40.03 1b8h n ASP 227 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36