#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 0.41 -0.20 2.12 1.02 -1.26 -0.44 119.74 121.39 1b8h s LYS 2 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.85 1b8h s LYS 2 Cb 0.00 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1b8h s LYS 2 CO 0.00 0.04 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.90 1b8h s LEU 3 N 0.21 2.90 0.91 3.17 1.43 -1.26 -4.67 118.68 121.38 1b8h s LEU 3 Ca -0.02 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1b8h s LEU 3 Cb -0.05 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.58 1b8h s LEU 3 CO -0.00 0.03 1.12 -0.94 0.23 0.00 0.00 176.35 176.79 1b8h s SER 4 N 1.16 3.47 0.32 2.29 1.04 -1.26 -4.76 113.70 115.96 1b8h s SER 4 Ca 0.02 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.58 1b8h s SER 4 Cb -0.14 -1.74 0.59 0.00 0.10 0.00 0.00 66.02 64.83 1b8h s SER 4 CO -0.01 -2.59 1.93 0.11 0.98 0.00 0.00 173.24 173.66 1b8h h LYS 5 N -1.52 0.92 -0.18 4.02 1.79 -1.99 0.07 116.57 119.68 1b8h h LYS 5 Ca -0.51 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 57.77 1b8h h LYS 5 Cb 1.32 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1b8h h LYS 5 CO 0.60 0.61 -0.40 -0.44 -1.08 0.00 0.00 179.45 178.74 1b8h h ASP 6 N 0.95 0.67 -0.14 0.86 3.32 -1.99 -2.26 116.42 117.82 1b8h h ASP 6 Ca 0.36 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1b8h h ASP 6 Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1b8h h ASP 6 CO -0.13 1.11 0.01 0.74 -1.72 0.00 0.00 179.24 179.24 1b8h h THR 7 N 0.27 1.24 -0.89 0.35 2.02 -1.83 -2.48 112.91 111.59 1b8h h THR 7 Ca 0.00 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.50 1b8h h THR 7 Cb 1.01 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.85 1b8h h THR 7 CO 0.09 0.23 0.57 0.40 0.37 0.00 0.00 175.52 177.18 1b8h h ILE 8 N -0.01 0.91 -0.76 3.11 2.04 -1.05 -0.99 117.51 120.76 1b8h h ILE 8 Ca 0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1b8h h ILE 8 Cb 0.35 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1b8h h ILE 8 CO 0.01 0.15 0.48 0.00 0.00 0.00 0.00 178.15 178.78 1b8h h ALA 9 N 1.58 0.96 -0.38 1.87 0.00 -1.13 0.16 119.26 122.33 1b8h h ALA 9 Ca 0.43 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1b8h h ALA 9 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b8h h ALA 9 CO -0.19 0.40 -0.17 0.82 0.00 0.00 0.00 179.25 180.12 1b8h h ILE 10 N 1.03 1.28 -0.13 0.00 2.04 -0.78 -2.76 117.51 118.19 1b8h h ILE 10 Ca 0.27 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 1b8h h ILE 10 Cb -0.08 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1b8h h ILE 10 CO -0.06 0.43 -0.27 -0.07 0.00 0.00 0.00 178.15 178.18 1b8h h LEU 11 N 0.57 0.23 -1.19 1.44 3.38 -0.89 -0.70 115.31 118.16 1b8h h LEU 11 Ca 0.09 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1b8h h LEU 11 Cb 0.71 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1b8h h LEU 11 CO 0.05 0.51 -0.18 0.50 0.09 0.00 0.00 178.44 179.41 1b8h h LYS 12 N 0.21 0.34 -0.05 1.13 3.64 -0.53 -0.48 116.57 120.83 1b8h h LYS 12 Ca 0.03 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1b8h h LYS 12 Cb 0.60 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1b8h h LYS 12 CO 0.04 0.52 -0.06 -0.97 -2.27 0.00 0.00 179.45 176.71 1b8h h ASN 13 N 0.32 0.15 -0.04 4.20 -0.73 -1.03 -3.02 115.58 115.43 1b8h h ASN 13 Ca 0.06 -0.51 0.01 0.00 1.87 0.00 0.00 56.30 57.73 1b8h h ASN 13 Cb 0.50 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 1b8h h ASN 13 CO 0.03 0.62 0.02 -0.26 -0.37 0.00 0.00 177.43 177.48 1b8h h PHE 14 N -0.33 0.01 0.00 0.67 -1.00 -0.93 -0.99 116.94 114.37 1b8h h PHE 14 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1b8h h PHE 14 Cb 0.59 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 1b8h h PHE 14 CO 0.10 0.01 -0.06 0.00 -1.61 0.00 0.00 178.31 176.74 1b8h h ALA 15 N 1.98 1.87 0.00 2.45 0.00 -0.95 -0.77 119.26 123.83 1b8h h ALA 15 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1b8h h ALA 15 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1b8h h ALA 15 CO -0.00 0.08 -0.61 0.66 0.00 0.00 0.00 179.25 179.37 1b8h h SER 16 N 0.00 0.00 0.96 0.00 4.64 -1.19 -3.21 113.55 114.75 1b8h h SER 16 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1b8h h SER 16 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1b8h h SER 16 CO 0.01 0.61 -1.03 0.40 -0.87 0.00 0.00 176.83 175.95 1b8h h ILE 17 N 0.00 1.69 -2.22 0.95 2.04 -1.21 -3.45 117.51 115.31 1b8h h ILE 17 Ca -0.01 -3.39 -0.03 0.00 1.00 0.00 0.00 64.86 62.44 1b8h h ILE 17 Cb 1.45 2.86 -0.23 0.00 -0.74 0.00 0.00 36.82 40.16 1b8h h ILE 17 CO 0.08 0.97 -0.08 0.21 0.00 0.00 0.00 178.15 179.33 1b8h s ASN 18 N -6.75 -0.80 0.42 1.72 3.84 -0.41 -4.45 114.94 108.52 1b8h s ASN 18 Ca 0.00 1.31 0.16 0.00 0.21 0.00 0.00 52.86 54.54 1b8h s ASN 18 Cb 0.10 1.19 0.94 0.00 -0.55 0.00 0.00 41.25 42.92 1b8h s ASN 18 CO 0.83 -0.22 1.92 0.77 -2.79 0.00 0.00 177.10 177.61 1b8h h SER 19 N 6.95 0.00 -1.40 -4.21 4.64 -1.83 -3.34 113.55 114.37 1b8h h SER 19 Ca -0.32 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.48 1b8h h SER 19 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1b8h h SER 19 CO 0.20 0.26 -0.39 -0.83 -0.87 0.00 0.00 176.83 175.21 1b8h s GLY 20 N -4.25 2.20 -0.19 -0.77 0.00 -1.21 0.25 107.32 103.36 1b8h s GLY 20 Ca -0.03 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 42.54 1b8h s GLY 20 CO 0.69 -1.77 0.99 -1.50 0.00 0.00 0.00 173.10 171.51 1b8h s ILE 21 N -2.54 0.00 -0.29 0.90 2.07 -0.62 -4.88 121.20 115.84 1b8h s ILE 21 Ca 0.45 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.62 1b8h s ILE 21 Cb -0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1b8h s ILE 21 CO 0.26 0.00 0.08 -0.22 -1.91 0.00 0.00 174.94 173.16 1b8h s LEU 22 N -0.75 3.78 -0.11 8.50 0.20 -1.26 -1.27 118.68 127.76 1b8h s LEU 22 Ca -0.01 -0.59 -0.19 0.00 0.69 0.00 0.00 54.13 54.03 1b8h s LEU 22 Cb -0.02 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1b8h s LEU 22 CO -0.00 -0.16 0.53 -0.76 -0.29 0.00 0.00 176.35 175.67 1b8h s LEU 23 N 1.53 4.27 -0.09 -0.68 1.43 0.94 -4.85 118.68 121.24 1b8h s LEU 23 Ca 0.04 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1b8h s LEU 23 Cb -0.17 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1b8h s LEU 23 CO 0.03 -0.04 -0.20 -0.44 0.23 0.00 0.00 176.35 175.93 1b8h s SER 24 N 0.70 3.48 -0.72 2.29 0.01 -1.26 -1.18 113.70 117.02 1b8h s SER 24 Ca 0.28 -0.43 -0.34 0.00 1.31 0.00 0.00 55.95 56.78 1b8h s SER 24 Cb -0.16 -1.23 -0.18 0.00 0.21 0.00 0.00 66.02 64.66 1b8h s SER 24 CO 0.12 0.21 2.46 1.67 0.41 0.00 0.00 173.24 178.11 1b8h n GLN 25 N 3.20 0.31 0.00 12.44 7.27 -1.26 -4.64 117.38 134.70 1b8h n GLN 25 Ca -0.18 0.04 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1b8h n GLN 25 Cb 0.52 -1.92 0.00 0.00 2.41 0.00 0.00 30.24 31.26 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 6.66 -0.64 0.69 1.69 0.00 -0.37 -4.95 105.19 108.26 1b8h n GLY 26 Ca 0.56 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.61 -4.57 1.61 5.02 -1.26 -0.29 118.16 119.28 1b8h n LYS 27 Ca 0.00 -2.09 -0.28 0.00 -2.02 0.00 0.00 58.31 53.91 1b8h n LYS 27 Cb 0.00 -0.82 -0.17 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.31 1.96 0.09 2.13 5.36 -1.26 -0.50 117.98 124.44 1b8h s PHE 28 Ca 0.24 -0.88 0.09 0.00 -0.96 0.00 0.00 56.93 55.42 1b8h s PHE 28 Cb 0.24 -1.40 -0.03 0.00 -0.34 0.00 0.00 43.02 41.49 1b8h s PHE 28 CO -0.05 -0.44 -0.24 0.96 -1.46 0.00 0.00 175.22 173.99 1b8h s ILE 29 N 0.86 1.93 0.01 3.12 -4.36 -0.30 -4.70 121.20 117.75 1b8h s ILE 29 Ca -0.09 -1.49 -0.20 0.00 -0.26 0.00 0.00 60.65 58.60 1b8h s ILE 29 Cb -0.15 -1.70 0.04 0.00 1.25 0.00 0.00 42.46 41.89 1b8h s ILE 29 CO 0.01 0.13 0.45 0.00 0.24 0.00 0.00 174.94 175.76 1b8h s MET 30 N -1.65 0.89 0.08 0.37 0.23 -1.26 -1.14 119.30 116.82 1b8h s MET 30 Ca 0.10 -0.17 -0.10 0.00 -1.03 0.00 0.00 55.69 54.49 1b8h s MET 30 Cb -0.10 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1b8h s MET 30 CO 0.04 -0.29 0.23 -0.08 -2.03 0.00 0.00 175.02 172.89 1b8h s THR 31 N -1.86 0.12 0.13 3.16 -1.32 0.24 -4.78 115.64 111.33 1b8h s THR 31 Ca -0.09 -1.01 0.07 0.00 -1.21 0.00 0.00 61.69 59.46 1b8h s THR 31 Cb -0.02 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1b8h s THR 31 CO 0.02 -0.56 -0.17 -0.60 -2.21 0.00 0.00 174.62 171.11 1b8h s ARG 32 N -3.53 1.12 0.31 7.08 6.06 -1.26 -1.78 118.95 126.95 1b8h s ARG 32 Ca 0.02 -1.28 -0.25 0.00 -2.50 0.00 0.00 55.73 51.73 1b8h s ARG 32 Cb 0.03 -1.13 -0.10 0.00 0.06 0.00 0.00 34.95 33.82 1b8h s ARG 32 CO -0.09 0.23 0.91 0.00 -2.50 0.00 0.00 175.30 173.85 1b8h s ALA 33 N -1.92 3.23 0.27 6.12 0.00 0.44 -4.66 121.76 125.24 1b8h s ALA 33 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1b8h s ALA 33 Cb -0.06 -3.12 0.62 0.00 0.00 0.00 0.00 23.12 20.56 1b8h s ALA 33 CO 0.04 0.20 1.69 0.28 0.00 0.00 0.00 175.76 177.97 1b8h h VAL 34 N 2.59 0.49 -1.35 0.00 2.07 -1.90 -0.74 116.25 117.40 1b8h h VAL 34 Ca -0.47 -0.12 -0.60 0.00 0.82 0.00 0.00 66.70 66.33 1b8h h VAL 34 Cb 1.19 0.11 -0.22 0.00 -1.52 0.00 0.00 31.29 30.85 1b8h h VAL 34 CO 0.65 0.06 0.68 -0.46 0.02 0.00 0.00 177.57 178.53 1b8h n ASN 35 N -5.09 6.97 0.00 0.57 6.94 -1.26 -4.89 115.26 118.50 1b8h n ASN 35 Ca 0.19 -3.48 0.00 0.00 -0.02 0.00 0.00 54.58 51.27 1b8h n ASN 35 Cb 0.58 -1.14 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 1b8h n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b8h n GLY 36 N 0.15 0.00 0.49 4.83 0.00 -0.28 -4.71 105.19 105.66 1b8h n GLY 36 Ca 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 1b8h n GLY 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b8h h THR 37 N 0.00 0.00 -4.13 2.61 1.35 -1.91 -3.45 112.91 107.39 1b8h h THR 37 Ca 0.00 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.17 1b8h h THR 37 Cb 0.00 0.00 -0.24 0.00 -1.73 0.00 0.00 68.15 66.18 1b8h h THR 37 CO 0.00 0.00 -0.81 -0.89 -0.25 0.00 0.00 175.52 173.57 1b8h s THR 38 N -5.71 2.74 -0.04 6.82 2.01 -1.26 -2.30 115.64 117.89 1b8h s THR 38 Ca -0.18 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 60.85 1b8h s THR 38 Cb 0.02 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1b8h s THR 38 CO 0.55 0.48 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.37 1b8h s TYR 39 N -0.79 1.30 0.04 4.92 5.04 0.05 -0.42 117.35 127.49 1b8h s TYR 39 Ca 0.12 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1b8h s TYR 39 Cb -0.10 -0.91 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 1b8h s TYR 39 CO 0.02 -0.16 -0.05 0.00 -1.34 0.00 0.00 175.55 174.02 1b8h s ALA 40 N 0.25 0.41 0.04 3.97 0.00 -0.74 0.22 121.76 125.91 1b8h s ALA 40 Ca -0.06 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 1b8h s ALA 40 Cb -0.11 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1b8h s ALA 40 CO 0.02 -0.11 0.48 -1.83 0.00 0.00 0.00 175.76 174.32 1b8h s GLU 41 N -1.80 0.98 0.07 0.00 -1.05 -0.30 -0.59 118.70 116.01 1b8h s GLU 41 Ca -0.10 -0.26 -0.26 0.00 -0.15 0.00 0.00 54.97 54.20 1b8h s GLU 41 Cb -0.08 0.44 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1b8h s GLU 41 CO -0.01 -0.34 0.69 0.00 0.95 0.00 0.00 175.26 176.55 1b8h s ALA 42 N -2.36 -1.70 -0.17 -0.84 0.00 -0.29 -1.19 121.76 115.21 1b8h s ALA 42 Ca -0.06 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1b8h s ALA 42 Cb -0.01 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1b8h s ALA 42 CO -0.01 -0.64 -0.04 -0.80 0.00 0.00 0.00 175.76 174.26 1b8h s ASN 43 N -2.28 4.64 0.32 0.00 0.02 -1.26 -1.15 114.94 115.24 1b8h s ASN 43 Ca -0.01 -0.21 0.08 0.00 -1.02 0.00 0.00 52.86 51.70 1b8h s ASN 43 Cb -0.01 -1.77 -0.03 0.00 0.02 0.00 0.00 41.25 39.47 1b8h s ASN 43 CO -0.07 0.12 0.24 0.27 0.02 0.00 0.00 177.10 177.68 1b8h s ILE 44 N 0.66 3.57 -0.38 0.60 -4.36 0.34 -4.99 121.20 116.64 1b8h s ILE 44 Ca -0.02 -1.45 0.23 0.00 -0.26 0.00 0.00 60.65 59.14 1b8h s ILE 44 Cb -0.14 -3.17 0.08 0.00 1.25 0.00 0.00 42.46 40.48 1b8h s ILE 44 CO 0.02 -0.21 1.23 0.77 0.24 0.00 0.00 174.94 177.00 1b8h h SER 45 N 1.36 0.00 -3.68 4.36 4.64 -1.99 -3.45 113.55 114.78 1b8h h SER 45 Ca -0.45 -0.05 -0.50 0.00 -0.47 0.00 0.00 61.79 60.32 1b8h h SER 45 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 1b8h h SER 45 CO 0.60 0.02 0.23 -1.81 -0.87 0.00 0.00 176.83 175.00 1b8h s ASP 46 N -5.25 7.31 -0.25 4.97 1.01 -1.26 -5.04 116.67 118.16 1b8h s ASP 46 Ca 0.03 1.68 -0.10 0.00 0.71 0.00 0.00 52.55 54.87 1b8h s ASP 46 Cb 0.10 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1b8h s ASP 46 CO 0.75 0.06 0.14 -0.70 0.21 0.00 0.00 175.17 175.63 1b8h s GLU 47 N -1.69 3.92 -0.41 8.23 2.12 -1.26 -4.57 118.70 125.03 1b8h s GLU 47 Ca 0.43 -0.35 -0.27 0.00 0.36 0.00 0.00 54.97 55.15 1b8h s GLU 47 Cb -0.20 -3.50 0.02 0.00 0.26 0.00 0.00 34.13 30.71 1b8h s GLU 47 CO 0.25 -0.07 1.01 0.42 -0.54 0.00 0.00 175.26 176.32 1b8h s ILE 48 N 1.40 4.44 -2.01 -3.70 1.01 0.60 -4.70 121.20 118.25 1b8h s ILE 48 Ca 0.07 1.18 0.16 0.00 0.00 0.00 0.00 60.65 62.06 1b8h s ILE 48 Cb -0.15 -4.44 0.47 0.00 0.01 0.00 0.00 42.46 38.35 1b8h s ILE 48 CO 0.07 -0.73 1.39 -0.90 0.00 0.00 0.00 174.94 174.77 1b8h n ASP 49 N 7.17 2.83 -3.62 3.58 5.68 -1.26 -1.24 116.55 129.69 1b8h n ASP 49 Ca 0.09 -2.00 -0.13 0.00 -0.50 0.00 0.00 54.79 52.26 1b8h n ASP 49 Cb 0.48 -0.35 -0.07 0.00 -1.14 0.00 0.00 41.12 40.04 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 -1.30 -0.66 -0.08 2.11 -0.71 -1.26 -4.94 117.98 111.14 1b8h s PHE 50 Ca 0.35 1.54 -0.30 0.00 -1.04 0.00 0.00 56.93 57.49 1b8h s PHE 50 Cb 0.18 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1b8h s PHE 50 CO 0.24 -0.35 1.16 -0.51 -1.34 0.00 0.00 175.22 174.42 1b8h s ASP 51 N 0.12 7.09 -0.03 1.98 1.11 -1.26 -4.36 116.67 121.32 1b8h s ASP 51 Ca -0.00 1.72 -0.16 0.00 0.18 0.00 0.00 52.55 54.29 1b8h s ASP 51 Cb -0.04 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.42 1b8h s ASP 51 CO -0.00 -0.57 0.35 0.54 1.18 0.00 0.00 175.17 176.66 1b8h s VAL 52 N 2.33 0.05 -0.06 -1.27 0.11 -0.32 -5.01 120.40 116.23 1b8h s VAL 52 Ca 0.54 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1b8h s VAL 52 Cb -0.23 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1b8h s VAL 52 CO 0.20 -0.22 -0.08 0.00 -3.33 0.00 0.00 175.10 171.67 1b8h s ALA 53 N -1.20 2.93 -0.07 1.54 0.00 -1.26 -0.04 121.76 123.66 1b8h s ALA 53 Ca -0.12 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1b8h s ALA 53 Cb -0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1b8h s ALA 53 CO 0.05 0.57 -0.25 -0.51 0.00 0.00 0.00 175.76 175.62 1b8h s LEU 54 N -0.85 2.07 -0.08 0.00 1.43 -0.40 0.42 118.68 121.27 1b8h s LEU 54 Ca 0.13 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 1b8h s LEU 54 Cb -0.11 -1.38 -0.29 0.00 0.03 0.00 0.00 46.19 44.44 1b8h s LEU 54 CO 0.02 0.22 0.69 0.22 0.23 0.00 0.00 176.35 177.73 1b8h h TYR 55 N 6.29 0.49 -2.48 0.29 3.20 -1.86 -1.66 116.97 121.24 1b8h h TYR 55 Ca -0.27 -0.36 -0.63 0.00 3.14 0.00 0.00 58.73 60.61 1b8h h TYR 55 Cb 1.20 -0.02 -0.40 0.00 1.54 0.00 0.00 36.73 39.04 1b8h h TYR 55 CO 0.44 1.46 -0.44 -3.47 -1.64 0.00 0.00 178.16 174.51 1b8h n ASP 56 N -4.01 3.89 -0.30 -2.11 -0.08 -1.26 -3.31 116.55 109.38 1b8h n ASP 56 Ca -0.20 -3.39 0.25 0.00 -1.51 0.00 0.00 54.79 49.94 1b8h n ASP 56 Cb 0.87 -0.76 0.57 0.00 2.34 0.00 0.00 41.12 44.14 1b8h n ASP 56 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1b8h h LEU 57 N 4.60 0.33 0.09 -2.67 5.85 -0.43 -2.70 115.31 120.39 1b8h h LEU 57 Ca 0.19 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1b8h h LEU 57 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1b8h h LEU 57 CO 0.86 0.08 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.86 1b8h h ASN 58 N 0.30 -0.10 -0.71 1.25 -1.24 -1.90 -2.89 115.58 110.29 1b8h h ASN 58 Ca 0.56 -0.36 0.03 0.00 0.71 0.00 0.00 56.30 57.24 1b8h h ASN 58 Cb 1.60 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 40.63 1b8h h ASN 58 CO -0.21 0.33 0.47 0.28 -1.29 0.00 0.00 177.43 177.01 1b8h h SER 59 N -0.55 0.75 -0.24 1.15 0.02 -1.87 -1.71 113.55 111.09 1b8h h SER 59 Ca -0.01 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1b8h h SER 59 Cb 0.46 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1b8h h SER 59 CO 0.02 0.52 0.03 0.15 -1.14 0.00 0.00 176.83 176.40 1b8h h PHE 60 N 0.87 0.04 0.00 3.45 3.57 -1.51 -1.90 116.94 121.46 1b8h h PHE 60 Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1b8h h PHE 60 Cb 0.05 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1b8h h PHE 60 CO -0.00 -0.00 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.91 1b8h h LEU 61 N 0.11 0.00 0.04 0.59 3.38 -1.10 -2.15 115.31 116.17 1b8h h LEU 61 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1b8h h LEU 61 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1b8h h LEU 61 CO -0.17 0.09 -0.02 0.28 0.09 0.00 0.00 178.44 178.72 1b8h h SER 62 N 0.00 -0.04 -1.11 -0.43 0.02 -0.89 -3.26 113.55 107.83 1b8h h SER 62 Ca -0.00 -0.64 0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1b8h h SER 62 Cb 0.23 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.67 1b8h h SER 62 CO 0.01 0.66 0.71 0.40 -1.14 0.00 0.00 176.83 177.47 1b8h h ILE 63 N -0.80 0.40 -0.12 3.27 1.08 -0.74 0.33 117.51 120.93 1b8h h ILE 63 Ca -0.01 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1b8h h ILE 63 Cb 0.68 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1b8h h ILE 63 CO 0.01 0.06 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.36 1b8h h LEU 64 N 0.31 0.17 -0.26 1.44 3.38 -1.48 -2.64 115.31 116.22 1b8h h LEU 64 Ca 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1b8h h LEU 64 Cb 1.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1b8h h LEU 64 CO -0.36 0.29 0.00 -1.54 0.09 0.00 0.00 178.44 176.92 1b8h n SER 65 N -4.33 0.26 -0.25 -0.43 3.41 0.12 -2.30 113.62 110.10 1b8h n SER 65 Ca -0.01 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1b8h n SER 65 Cb 0.23 -0.62 0.24 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.79 1.17 -4.88 1.04 4.77 -1.00 -4.95 117.00 111.37 1b8h n LEU 66 Ca 0.03 -0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 55.46 1b8h n LEU 66 Cb 0.20 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1b8h n LEU 66 CO 0.16 0.23 -0.02 0.68 -1.33 0.00 0.00 177.39 177.12 1b8h s VAL 67 N -2.61 3.00 0.54 4.08 -7.23 -0.97 -5.08 120.40 112.12 1b8h s VAL 67 Ca 0.20 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 58.85 1b8h s VAL 67 Cb 0.18 -3.07 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 1b8h s VAL 67 CO 0.58 -0.06 0.85 -0.24 -0.31 0.00 0.00 175.10 175.92 1b8h n SER 68 N -1.51 0.38 0.28 4.85 2.88 -1.26 -4.88 113.62 114.37 1b8h n SER 68 Ca 0.02 0.85 0.17 0.00 -1.33 0.00 0.00 58.87 58.59 1b8h n SER 68 Cb 0.61 -1.31 0.78 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.72 0.00 0.14 -3.46 3.32 -1.98 -3.02 116.42 112.15 1b8h h ASP 69 Ca -0.46 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.43 1b8h h ASP 69 Cb 1.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 1b8h h ASP 69 CO 0.51 0.03 -2.01 -0.90 -1.72 0.00 0.00 179.24 175.15 1b8h n ASP 70 N -3.16 0.16 -0.95 6.45 5.75 -1.26 -4.92 116.55 118.63 1b8h n ASP 70 Ca -0.00 0.07 -0.12 0.00 -0.01 0.00 0.00 54.79 54.73 1b8h n ASP 70 Cb 0.26 1.32 -0.01 0.00 -1.03 0.00 0.00 41.12 41.66 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 -2.45 -1.23 -2.22 2.12 0.00 -1.14 -4.86 120.51 110.73 1b8h n ALA 71 Ca -0.15 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1b8h n ALA 71 Cb 0.82 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.06 4.25 -0.20 0.00 2.56 0.29 -4.78 118.70 120.77 1b8h s GLU 72 Ca 0.18 0.80 -0.06 0.00 0.00 0.00 0.00 54.97 55.89 1b8h s GLU 72 Cb -0.25 -3.21 -0.03 0.00 2.00 0.00 0.00 34.13 32.64 1b8h s GLU 72 CO 0.12 0.61 0.04 0.42 -0.56 0.00 0.00 175.26 175.89 1b8h s ILE 73 N -1.16 4.38 0.16 -3.70 1.01 0.41 -1.25 121.20 121.04 1b8h s ILE 73 Ca 0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1b8h s ILE 73 Cb -0.20 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1b8h s ILE 73 CO 0.20 0.42 0.25 -0.94 0.00 0.00 0.00 174.94 174.87 1b8h s SER 74 N 0.84 0.08 -0.25 3.58 1.04 0.41 -2.36 113.70 117.05 1b8h s SER 74 Ca 0.02 -0.92 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 1b8h s SER 74 Cb -0.14 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1b8h s SER 74 CO 0.02 -0.86 1.02 -0.32 0.98 0.00 0.00 173.24 174.07 1b8h s MET 75 N -3.98 4.21 0.73 4.02 1.75 -1.26 0.24 119.30 125.01 1b8h s MET 75 Ca 0.18 1.24 -0.11 0.00 -1.25 0.00 0.00 55.69 55.75 1b8h s MET 75 Cb 0.04 -3.66 0.03 0.00 2.84 0.00 0.00 34.83 34.08 1b8h s MET 75 CO -0.00 -0.67 1.11 -1.58 -0.65 0.00 0.00 175.02 173.24 1b8h s HIS 76 N 3.23 3.21 -0.39 4.11 2.46 0.22 -4.88 115.29 123.25 1b8h s HIS 76 Ca 0.43 0.94 0.21 0.00 0.47 0.00 0.00 55.06 57.11 1b8h s HIS 76 Cb -0.15 -3.19 1.00 0.00 -0.13 0.00 0.00 32.58 30.12 1b8h s HIS 76 CO 0.08 -1.35 1.63 0.25 -2.47 0.00 0.00 174.74 172.88 1b8h n THR 77 N -3.08 1.02 0.19 0.89 -2.24 -1.26 -2.15 114.28 107.65 1b8h n THR 77 Ca 0.07 0.51 0.12 0.00 -2.27 0.00 0.00 64.05 62.48 1b8h n THR 77 Cb 0.58 -1.47 0.25 0.00 -2.10 0.00 0.00 70.33 67.59 1b8h n THR 77 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b8h n ASP 78 N -2.17 3.53 0.00 3.42 5.75 -1.26 -4.93 116.55 120.88 1b8h n ASP 78 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1b8h n ASP 78 Cb 0.11 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 1.54 0.67 4.02 6.12 0.00 -0.91 -5.07 105.19 111.56 1b8h n GLY 79 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1b8h n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b8h s ASN 80 N -2.98 4.96 0.13 1.61 0.02 -1.26 -4.47 114.94 112.96 1b8h s ASN 80 Ca 0.00 -0.97 -0.10 0.00 -1.02 0.00 0.00 52.86 50.78 1b8h s ASN 80 Cb 0.00 0.44 -0.06 0.00 0.02 0.00 0.00 41.25 41.65 1b8h s ASN 80 CO 0.00 -1.37 0.45 -0.63 0.02 0.00 0.00 177.10 175.57 1b8h s ILE 81 N -2.72 5.04 -0.10 0.60 1.01 0.47 0.69 121.20 126.19 1b8h s ILE 81 Ca 0.58 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 1b8h s ILE 81 Cb -0.05 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1b8h s ILE 81 CO 0.37 0.16 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 1b8h s LYS 82 N -2.25 1.22 -0.32 2.79 2.20 0.14 -1.36 119.74 122.16 1b8h s LYS 82 Ca 0.38 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.83 1b8h s LYS 82 Cb -0.13 -1.37 0.06 0.00 -1.51 0.00 0.00 37.83 34.88 1b8h s LYS 82 CO 0.20 -0.27 0.04 0.42 -0.36 0.00 0.00 175.35 175.38 1b8h s ILE 83 N 1.76 3.12 0.12 5.43 1.01 0.31 -0.45 121.20 132.50 1b8h s ILE 83 Ca 0.04 -1.44 -0.04 0.00 0.00 0.00 0.00 60.65 59.21 1b8h s ILE 83 Cb -0.13 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1b8h s ILE 83 CO -0.07 -0.19 0.11 0.00 0.00 0.00 0.00 174.94 174.79 1b8h s ALA 84 N 1.25 0.47 0.00 9.38 0.00 -0.38 0.67 121.76 133.15 1b8h s ALA 84 Ca -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1b8h s ALA 84 Cb -0.20 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1b8h s ALA 84 CO -0.01 -0.50 0.00 -0.40 0.00 0.00 0.00 175.76 174.85 1b8h n ASP 85 N -0.08 0.13 0.29 0.00 5.68 -0.88 -0.55 116.55 121.15 1b8h n ASP 85 Ca -0.09 -0.77 0.14 0.00 -0.50 0.00 0.00 54.79 53.58 1b8h n ASP 85 Cb 0.63 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.47 1b8h n ASP 85 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8h h THR 86 N 0.77 0.55 0.00 2.12 1.03 -2.02 -3.36 112.91 112.00 1b8h h THR 86 Ca 0.00 -0.13 -0.22 0.00 -0.01 0.00 0.00 66.41 66.05 1b8h h THR 86 Cb 0.00 1.08 -0.03 0.00 -1.07 0.00 0.00 68.15 68.13 1b8h h THR 86 CO 0.00 0.03 -1.63 0.54 -0.01 0.00 0.00 175.52 174.45 1b8h n ARG 87 N -3.82 0.40 -4.27 0.00 1.74 -1.26 -5.08 116.66 104.37 1b8h n ARG 87 Ca -0.03 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 1b8h n ARG 87 Cb 0.12 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 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 -6.48 4.29 -0.01 0.55 1.04 -1.26 -5.15 113.70 106.68 1b8h s SER 88 Ca -0.25 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1b8h s SER 88 Cb 0.08 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.70 1b8h s SER 88 CO 0.33 -0.40 -0.01 -0.89 0.98 0.00 0.00 173.24 173.25 1b8h s THR 89 N -2.57 0.14 -0.07 2.02 2.01 -1.26 -2.07 115.64 113.84 1b8h s THR 89 Ca 0.38 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1b8h s THR 89 Cb 0.03 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.37 1b8h s THR 89 CO 0.21 0.07 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.29 1b8h s VAL 90 N 0.30 2.27 0.02 3.82 1.01 0.21 -4.95 120.40 123.08 1b8h s VAL 90 Ca -0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1b8h s VAL 90 Cb -0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1b8h s VAL 90 CO -0.01 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.27 1b8h s TYR 91 N -0.10 2.83 -0.07 5.22 2.02 -1.26 0.11 117.35 126.11 1b8h s TYR 91 Ca -0.05 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 1b8h s TYR 91 Cb -0.14 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1b8h s TYR 91 CO 0.04 0.37 0.19 -0.46 -1.57 0.00 0.00 175.55 174.12 1b8h s TRP 92 N -1.03 -0.21 0.25 2.71 -0.11 -0.46 -4.99 118.94 115.09 1b8h s TRP 92 Ca 0.18 0.52 -0.31 0.00 1.22 0.00 0.00 56.10 57.72 1b8h s TRP 92 Cb -0.11 0.07 -0.11 0.00 -1.50 0.00 0.00 33.47 31.82 1b8h s TRP 92 CO 0.09 -0.11 1.57 -1.25 -4.62 0.00 0.00 176.95 172.62 1b8h s PRO 93 N 0.16 4.18 -0.13 5.86 0.04 -1.26 -0.39 135.00 143.46 1b8h s PRO 93 Ca -0.01 2.47 -0.19 0.00 0.04 0.00 0.00 61.00 63.31 1b8h s PRO 93 Cb -0.02 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1b8h s PRO 93 CO -0.00 -0.59 0.53 0.00 0.04 0.00 0.00 177.00 176.99 1b8h s ALA 94 N 0.37 3.46 0.51 8.56 0.00 -1.26 -4.75 121.76 128.65 1b8h s ALA 94 Ca 0.65 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1b8h s ALA 94 Cb -0.46 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1b8h s ALA 94 CO 0.41 -0.12 0.89 0.00 0.00 0.00 0.00 175.76 176.94 1b8h s ALA 95 N 0.89 3.24 -0.33 0.00 0.00 0.17 -4.95 121.76 120.77 1b8h s ALA 95 Ca 0.28 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1b8h s ALA 95 Cb -0.16 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1b8h s ALA 95 CO 0.12 -0.34 0.40 0.34 0.00 0.00 0.00 175.76 176.27 1b8h s ASP 96 N -3.69 6.22 0.30 0.00 -1.08 -1.26 -4.31 116.67 112.85 1b8h s ASP 96 Ca 0.53 -0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 1b8h s ASP 96 Cb -0.10 -2.21 0.98 0.00 -1.46 0.00 0.00 42.92 40.12 1b8h s ASP 96 CO 0.41 -0.34 0.92 0.29 0.52 0.00 0.00 175.17 176.98 1b8h n LYS 97 N 5.45 -0.01 0.06 4.34 5.02 -1.26 0.52 118.16 132.28 1b8h n LYS 97 Ca -0.08 0.68 0.10 0.00 -2.02 0.00 0.00 58.31 56.99 1b8h n LYS 97 Cb 0.49 -1.48 0.43 0.00 -0.02 0.00 0.00 35.03 34.45 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 -3.40 0.33 -0.42 4.39 3.41 -1.26 -2.81 113.62 113.86 1b8h n SER 98 Ca 0.26 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1b8h n SER 98 Cb 1.10 -0.64 0.35 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.84 0.00 -4.13 6.66 -2.24 0.18 -4.92 114.28 107.98 1b8h n THR 99 Ca 0.04 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1b8h n THR 99 Cb 0.24 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.29 0.76 -0.17 2.28 -4.36 -1.12 -5.01 121.20 111.28 1b8h s ILE 100 Ca 0.28 -1.46 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 1b8h s ILE 100 Cb 0.20 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 1b8h s ILE 100 CO 0.45 -0.52 0.04 -0.69 0.24 0.00 0.00 174.94 174.46 1b8h s VAL 101 N -2.16 4.62 0.06 8.37 1.01 -1.26 -4.95 120.40 126.09 1b8h s VAL 101 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1b8h s VAL 101 Cb -0.05 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1b8h s VAL 101 CO -0.01 0.48 0.31 0.72 0.00 0.00 0.00 175.10 176.60 1b8h s PHE 102 N 0.26 -0.09 0.38 5.22 -0.12 -1.26 -4.71 117.98 117.66 1b8h s PHE 102 Ca 0.02 -0.10 -0.26 0.00 -0.05 0.00 0.00 56.93 56.54 1b8h s PHE 102 Cb -0.13 0.11 -0.09 0.00 -0.63 0.00 0.00 43.02 42.28 1b8h s PHE 102 CO 0.01 -0.54 1.20 -2.14 -0.05 0.00 0.00 175.22 173.70 1b8h s PRO 103 N -2.90 4.13 0.07 1.99 0.02 -1.26 -4.94 135.00 132.12 1b8h s PRO 103 Ca -0.03 1.93 0.18 0.00 0.02 0.00 0.00 61.00 63.11 1b8h s PRO 103 Cb 0.00 -2.79 -0.12 0.00 0.02 0.00 0.00 34.50 31.61 1b8h s PRO 103 CO -0.06 -0.28 0.81 0.27 -0.33 0.00 0.00 177.00 177.42 1b8h n ASN 104 N 0.28 0.77 -3.78 2.53 2.04 -1.26 -4.93 115.26 110.90 1b8h n ASN 104 Ca 0.03 0.33 -0.11 0.00 -0.44 0.00 0.00 54.58 54.39 1b8h n ASN 104 Cb 0.45 0.38 -0.07 0.00 -2.53 0.00 0.00 39.78 38.01 1b8h n ASN 104 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1b8h s LYS 105 N -3.04 0.81 0.50 -3.83 -2.85 -1.26 -5.16 119.74 104.91 1b8h s LYS 105 Ca -0.03 -0.62 -0.18 0.00 -1.00 0.00 0.00 55.97 54.13 1b8h s LYS 105 Cb 0.09 0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1b8h s LYS 105 CO 0.81 -0.26 1.00 -1.25 0.10 0.00 0.00 175.35 175.75 1b8h s PRO 106 N -2.88 3.90 0.34 1.78 0.04 -1.26 -5.04 135.00 131.88 1b8h s PRO 106 Ca -0.03 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 1b8h s PRO 106 Cb 0.00 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1b8h s PRO 106 CO -0.05 -0.32 0.93 0.42 0.04 0.00 0.00 177.00 178.02 1b8h s ILE 107 N -2.34 4.27 -0.06 0.56 -1.09 -1.26 -5.07 121.20 116.20 1b8h s ILE 107 Ca 0.62 1.73 0.05 0.00 -2.23 0.00 0.00 60.65 60.82 1b8h s ILE 107 Cb -0.12 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 1b8h s ILE 107 CO 0.24 0.06 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.71 1b8h s GLN 108 N -2.26 2.63 -0.76 2.79 -1.52 -1.26 -5.06 119.66 114.22 1b8h s GLN 108 Ca 0.52 -0.82 0.03 0.00 -1.95 0.00 0.00 55.36 53.14 1b8h s GLN 108 Cb -0.17 -2.28 0.25 0.00 -0.22 0.00 0.00 33.01 30.59 1b8h s GLN 108 CO 0.22 0.43 0.86 0.34 -0.25 0.00 0.00 175.29 176.89 1b8h n PHE 109 N 2.83 3.43 -0.23 0.91 7.35 -1.26 -4.94 117.46 125.55 1b8h n PHE 109 Ca -0.17 -3.88 0.02 0.00 -0.76 0.00 0.00 57.45 52.65 1b8h n PHE 109 Cb 0.52 -0.77 0.13 0.00 0.35 0.00 0.00 39.48 39.71 1b8h n PHE 109 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1b8h h PRO 110 N 4.79 0.45 -5.23 -7.13 0.11 -2.06 -3.44 132.00 119.48 1b8h h PRO 110 Ca 0.19 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.90 1b8h h PRO 110 Cb 0.68 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 31.52 1b8h h PRO 110 CO 0.92 0.30 -0.74 0.14 -0.21 0.00 0.00 178.00 178.41 1b8h s VAL 111 N -6.07 1.22 0.36 3.15 -7.23 -1.26 -5.16 120.40 105.41 1b8h s VAL 111 Ca -0.13 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1b8h s VAL 111 Cb 0.18 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1b8h s VAL 111 CO 0.75 -0.53 0.07 0.00 -0.31 0.00 0.00 175.10 175.08 1b8h s ALA 112 N -2.52 2.62 -0.00 1.32 0.00 -1.26 -4.83 121.76 117.09 1b8h s ALA 112 Ca 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1b8h s ALA 112 Cb -0.03 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1b8h s ALA 112 CO 0.02 -0.30 -0.00 0.43 0.00 0.00 0.00 175.76 175.91 1b8h n SER 113 N -0.89 4.09 -3.83 0.00 7.64 0.70 -4.89 113.62 116.46 1b8h n SER 113 Ca -0.04 -0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.71 1b8h n SER 113 Cb 0.66 0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.80 1b8h n SER 113 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1b8h s VAL 114 N -2.01 0.02 -0.14 0.44 -7.23 0.27 -5.00 120.40 106.75 1b8h s VAL 114 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1b8h s VAL 114 Cb 0.00 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.69 1b8h s VAL 114 CO 0.01 -0.07 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.98 1b8h s ILE 115 N -0.20 1.40 0.00 -0.62 1.01 -1.26 0.04 121.20 121.57 1b8h s ILE 115 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1b8h s ILE 115 Cb -0.02 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1b8h s ILE 115 CO 0.00 0.42 0.00 1.07 0.00 0.00 0.00 174.94 176.44 1b8h n THR 116 N 4.82 0.00 -3.53 2.92 5.66 0.22 -4.98 114.28 119.39 1b8h n THR 116 Ca -0.15 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1b8h n THR 116 Cb 0.50 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.43 1.13 -0.03 1.09 -1.05 -1.26 0.07 118.70 119.07 1b8h s GLU 117 Ca 0.00 -0.38 -0.01 0.00 -0.15 0.00 0.00 54.97 54.44 1b8h s GLU 117 Cb 0.00 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1b8h s GLU 117 CO 0.00 -0.45 0.03 -1.50 0.95 0.00 0.00 175.26 174.30 1b8h s ILE 118 N -3.09 0.00 0.45 1.83 2.07 -0.31 -4.44 121.20 117.71 1b8h s ILE 118 Ca -0.02 0.25 -0.22 0.00 -1.41 0.00 0.00 60.65 59.25 1b8h s ILE 118 Cb -0.00 -0.17 -0.09 0.00 0.13 0.00 0.00 42.46 42.33 1b8h s ILE 118 CO -0.07 0.14 1.04 -0.54 -1.91 0.00 0.00 174.94 173.60 1b8h s LYS 119 N 1.47 3.96 0.23 3.50 1.02 -1.26 -1.68 119.74 126.98 1b8h s LYS 119 Ca -0.04 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.27 1b8h s LYS 119 Cb -0.13 -2.28 0.33 0.00 -0.52 0.00 0.00 37.83 35.23 1b8h s LYS 119 CO -0.03 -0.30 1.61 0.00 -0.92 0.00 0.00 175.35 175.71 1b8h h ALA 120 N 1.96 0.55 -0.65 5.17 0.00 -1.90 -1.19 119.26 123.19 1b8h h ALA 120 Ca -0.49 0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1b8h h ALA 120 Cb 1.22 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1b8h h ALA 120 CO 0.60 -0.42 0.33 1.49 0.00 0.00 0.00 179.25 181.25 1b8h h GLU 121 N 0.02 0.57 -0.43 0.00 4.81 -1.93 -1.88 114.58 115.74 1b8h h GLU 121 Ca 0.37 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1b8h h GLU 121 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1b8h h GLU 121 CO -0.74 0.38 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.42 1b8h h ASP 122 N 0.59 0.80 -0.29 1.04 3.32 -1.64 -2.73 116.42 117.50 1b8h h ASP 122 Ca 0.31 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1b8h h ASP 122 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1b8h h ASP 122 CO -0.23 0.95 0.19 0.25 -1.72 0.00 0.00 179.24 178.68 1b8h h LEU 123 N 0.63 0.33 -0.60 1.55 5.85 -0.94 -0.21 115.31 121.90 1b8h h LEU 123 Ca 0.11 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1b8h h LEU 123 Cb 0.58 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1b8h h LEU 123 CO 0.03 0.24 0.31 -0.61 -0.34 0.00 0.00 178.44 178.07 1b8h h GLN 124 N 0.39 0.55 -0.43 1.25 4.15 -1.32 -1.56 115.11 118.14 1b8h h GLN 124 Ca 0.11 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1b8h h GLN 124 Cb -0.04 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1b8h h GLN 124 CO -0.03 0.37 0.05 0.37 -1.93 0.00 0.00 178.83 177.66 1b8h h GLN 125 N 0.57 0.73 -0.73 1.69 4.15 -1.15 -0.66 115.11 119.72 1b8h h GLN 125 Ca 0.28 -0.21 0.14 0.00 0.77 0.00 0.00 58.65 59.63 1b8h h GLN 125 Cb 0.21 -0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.72 1b8h h GLN 125 CO -0.20 0.78 0.25 1.25 -1.93 0.00 0.00 178.83 178.97 1b8h h LEU 126 N 0.58 0.18 -0.00 -2.39 5.85 -0.24 0.19 115.31 119.47 1b8h h LEU 126 Ca 0.13 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1b8h h LEU 126 Cb 0.42 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1b8h h LEU 126 CO 0.01 0.05 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.09 1b8h h LEU 127 N 0.37 0.01 -0.47 2.25 4.07 -1.13 -1.63 115.31 118.78 1b8h h LEU 127 Ca 0.40 -0.69 0.09 0.00 0.08 0.00 0.00 57.88 57.76 1b8h h LEU 127 Cb 0.63 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.29 1b8h h LEU 127 CO -0.43 0.70 -0.02 0.03 -1.08 0.00 0.00 178.44 177.64 1b8h h ARG 128 N -0.68 0.09 -0.45 1.13 2.47 -0.80 0.18 114.38 116.32 1b8h h ARG 128 Ca -0.00 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 1b8h h ARG 128 Cb 0.70 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1b8h h ARG 128 CO 0.00 0.06 -0.21 0.28 0.56 0.00 0.00 179.97 180.67 1b8h h VAL 129 N 0.09 1.27 -0.53 2.04 2.07 -1.07 -1.87 116.25 118.26 1b8h h VAL 129 Ca 0.24 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1b8h h VAL 129 Cb 0.35 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1b8h h VAL 129 CO -0.41 0.46 0.29 0.28 0.02 0.00 0.00 177.57 178.21 1b8h h SER 130 N 0.78 0.64 -0.36 0.57 0.02 -0.51 0.55 113.55 115.24 1b8h h SER 130 Ca 0.11 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1b8h h SER 130 Cb 0.75 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1b8h h SER 130 CO 0.06 0.51 -0.21 -0.09 -1.14 0.00 0.00 176.83 175.97 1b8h h ARG 131 N 0.73 0.77 0.00 3.45 2.43 -0.60 -0.98 114.38 120.18 1b8h h ARG 131 Ca 0.19 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1b8h h ARG 131 Cb 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1b8h h ARG 131 CO -0.03 0.97 0.00 0.78 -1.51 0.00 0.00 179.97 180.18 1b8h h GLY 132 N 0.55 0.00 -1.78 2.80 0.00 -0.52 -3.27 103.07 100.85 1b8h h GLY 132 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1b8h h GLY 132 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.64 1b8h n LEU 133 N -3.00 3.17 -2.45 3.11 4.77 0.18 -4.95 117.00 117.83 1b8h n LEU 133 Ca 0.04 -1.78 -0.18 0.00 -0.03 0.00 0.00 56.01 54.05 1b8h n LEU 133 Cb 0.51 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1b8h n LEU 133 CO 0.33 0.75 -0.22 0.00 -1.33 0.00 0.00 177.39 176.93 1b8h n GLN 134 N 1.00 -2.02 -2.43 3.23 1.13 -0.78 -4.86 117.38 112.64 1b8h n GLN 134 Ca 0.16 0.86 -0.43 0.00 -1.94 0.00 0.00 57.00 55.65 1b8h n GLN 134 Cb 0.49 -5.52 -0.02 0.00 0.11 0.00 0.00 30.24 25.30 1b8h n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b8h s ILE 135 N -2.91 4.29 -0.32 5.09 1.01 -0.44 -4.54 121.20 123.37 1b8h s ILE 135 Ca 0.02 1.55 0.07 0.00 0.00 0.00 0.00 60.65 62.29 1b8h s ILE 135 Cb -0.01 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1b8h s ILE 135 CO 0.02 -0.15 0.30 -0.90 0.00 0.00 0.00 174.94 174.21 1b8h n ASP 136 N 6.64 0.57 -3.66 3.58 5.68 -0.11 -4.77 116.55 124.49 1b8h n ASP 136 Ca 0.14 -0.62 -0.27 0.00 -0.50 0.00 0.00 54.79 53.54 1b8h n ASP 136 Cb 0.45 1.03 -0.17 0.00 -1.14 0.00 0.00 41.12 41.29 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 -1.76 0.14 0.51 2.12 2.01 -0.24 -0.11 115.64 118.30 1b8h s THR 137 Ca 0.02 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1b8h s THR 137 Cb 0.06 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.84 1b8h s THR 137 CO 0.30 -0.26 0.73 0.27 -0.69 0.00 0.00 174.62 174.97 1b8h s ILE 138 N 2.03 3.09 -0.11 1.82 -4.36 -0.98 -0.32 121.20 122.38 1b8h s ILE 138 Ca 0.01 -0.65 -0.05 0.00 -0.26 0.00 0.00 60.65 59.70 1b8h s ILE 138 Cb -0.16 -3.14 0.05 0.00 1.25 0.00 0.00 42.46 40.46 1b8h s ILE 138 CO -0.09 -0.10 0.25 0.00 0.24 0.00 0.00 174.94 175.24 1b8h s ALA 139 N -2.66 -0.53 -0.12 2.27 0.00 0.23 -1.93 121.76 119.02 1b8h s ALA 139 Ca 0.54 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 53.32 1b8h s ALA 139 Cb -0.10 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1b8h s ALA 139 CO 0.38 -0.39 0.31 0.42 0.00 0.00 0.00 175.76 176.47 1b8h s ILE 140 N 1.77 5.27 0.14 0.00 1.01 0.42 -1.13 121.20 128.67 1b8h s ILE 140 Ca -0.05 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.00 1b8h s ILE 140 Cb -0.11 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1b8h s ILE 140 CO -0.08 0.46 0.49 0.28 0.00 0.00 0.00 174.94 176.08 1b8h s THR 141 N -0.04 0.04 0.34 2.92 -1.32 0.18 -1.66 115.64 116.10 1b8h s THR 141 Ca 0.18 -0.32 -0.22 0.00 -1.21 0.00 0.00 61.69 60.12 1b8h s THR 141 Cb -0.14 -1.09 -0.10 0.00 -1.51 0.00 0.00 72.50 69.66 1b8h s THR 141 CO 0.06 -0.18 0.88 0.54 -2.21 0.00 0.00 174.62 173.71 1b8h s ASN 142 N -2.76 7.07 -0.30 8.08 2.20 -1.24 -0.26 114.94 127.72 1b8h s ASN 142 Ca 0.02 1.63 -0.10 0.00 -0.94 0.00 0.00 52.86 53.47 1b8h s ASN 142 Cb 0.01 -2.51 0.15 0.00 -2.00 0.00 0.00 41.25 36.90 1b8h s ASN 142 CO -0.12 -0.17 0.76 -0.75 -2.94 0.00 0.00 177.10 173.87 1b8h s LYS 143 N -2.57 0.47 -1.36 3.55 2.20 0.32 -4.89 119.74 117.46 1b8h s LYS 143 Ca 0.54 1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 57.22 1b8h s LYS 143 Cb -0.14 0.65 -0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1b8h s LYS 143 CO 0.19 -0.26 0.51 -0.25 -0.36 0.00 0.00 175.35 175.18 1b8h n ASP 144 N 5.32 -1.02 -1.65 1.43 8.00 -1.26 -0.67 116.55 126.69 1b8h n ASP 144 Ca -0.09 -0.97 -0.17 0.00 0.71 0.00 0.00 54.79 54.27 1b8h n ASP 144 Cb 0.51 -3.28 -0.04 0.00 -0.02 0.00 0.00 41.12 38.29 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 -1.87 0.58 2.94 0.44 0.00 -1.26 -4.94 105.19 101.08 1b8h n GLY 145 Ca -0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.21 0.19 -0.12 1.61 1.02 0.15 0.13 119.74 118.51 1b8h s LYS 146 Ca 0.00 -0.36 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1b8h s LYS 146 Cb 0.00 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1b8h s LYS 146 CO 0.00 -0.03 0.63 0.42 -0.92 0.00 0.00 175.35 175.45 1b8h s ILE 147 N -0.87 5.07 0.16 2.17 -1.09 -0.78 0.12 121.20 125.98 1b8h s ILE 147 Ca -0.10 1.26 0.04 0.00 -2.23 0.00 0.00 60.65 59.63 1b8h s ILE 147 Cb -0.06 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 1b8h s ILE 147 CO -0.01 0.22 -0.09 0.68 -1.23 0.00 0.00 174.94 174.52 1b8h s VAL 148 N 1.12 1.17 -0.14 2.92 -7.23 0.64 -0.34 120.40 118.54 1b8h s VAL 148 Ca 0.32 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1b8h s VAL 148 Cb -0.16 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1b8h s VAL 148 CO 0.14 -0.67 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.42 1b8h s ILE 149 N -3.33 1.99 -0.13 -0.62 1.01 -0.09 -0.64 121.20 119.39 1b8h s ILE 149 Ca 0.19 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1b8h s ILE 149 Cb 0.03 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1b8h s ILE 149 CO 0.02 0.54 -0.10 0.20 0.00 0.00 0.00 174.94 175.60 1b8h s ASN 150 N 0.87 4.30 -0.05 3.58 0.01 -0.28 -0.89 114.94 122.48 1b8h s ASN 150 Ca -0.06 -0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 1b8h s ASN 150 Cb -0.15 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.87 1b8h s ASN 150 CO -0.03 0.19 0.28 -0.83 -1.51 0.00 0.00 177.10 175.21 1b8h s GLY 151 N 0.20 2.32 0.06 0.66 0.00 -0.29 -0.60 107.32 109.67 1b8h s GLY 151 Ca -0.06 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1b8h s GLY 151 CO 0.04 -0.12 -0.05 -0.19 0.00 0.00 0.00 173.10 172.78 1b8h s TYR 152 N -1.08 0.62 -0.82 1.90 1.51 0.57 -1.21 117.35 118.84 1b8h s TYR 152 Ca 0.20 -0.78 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1b8h s TYR 152 Cb -0.14 -0.39 0.21 0.00 -0.11 0.00 0.00 41.96 41.52 1b8h s TYR 152 CO 0.10 -0.20 0.71 1.21 -1.11 0.00 0.00 175.55 176.26 1b8h s ASN 153 N -2.36 6.15 0.42 2.29 3.84 -1.26 -0.93 114.94 123.08 1b8h s ASN 153 Ca 0.00 -3.13 0.20 0.00 0.21 0.00 0.00 52.86 50.14 1b8h s ASN 153 Cb -0.01 -2.02 1.15 0.00 -0.55 0.00 0.00 41.25 39.82 1b8h s ASN 153 CO -0.04 -0.37 1.79 0.50 -2.79 0.00 0.00 177.10 176.19 1b8h h LYS 154 N 6.94 0.35 -0.02 0.43 1.63 -1.88 0.59 116.57 124.59 1b8h h LYS 154 Ca 0.09 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1b8h h LYS 154 Cb 0.93 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1b8h h LYS 154 CO 0.80 0.23 0.01 0.28 -3.45 0.00 0.00 179.45 177.32 1b8h h VAL 155 N 0.36 1.01 -0.01 2.00 2.07 -1.94 -2.46 116.25 117.28 1b8h h VAL 155 Ca 0.57 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 68.07 1b8h h VAL 155 Cb 1.52 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1b8h h VAL 155 CO -0.25 0.01 -0.19 -1.84 0.02 0.00 0.00 177.57 175.32 1b8h n GLU 156 N -5.07 0.78 -3.29 1.57 0.28 -0.71 -4.40 120.64 109.79 1b8h n GLU 156 Ca -0.07 -0.38 -0.25 0.00 -0.16 0.00 0.00 57.16 56.30 1b8h n GLU 156 Cb 0.03 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.33 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 -0.78 -0.10 -0.36 -1.84 -0.08 0.12 -5.03 116.55 108.47 1b8h n ASP 157 Ca 0.13 -2.55 0.04 0.00 -1.51 0.00 0.00 54.79 50.90 1b8h n ASP 157 Cb 0.32 -0.60 0.11 0.00 2.34 0.00 0.00 41.12 43.29 1b8h n ASP 157 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1b8h n SER 158 N 2.08 -0.44 -1.20 1.67 7.64 -0.96 -1.72 113.62 120.69 1b8h n SER 158 Ca 0.25 1.70 0.07 0.00 1.01 0.00 0.00 58.87 61.91 1b8h n SER 158 Cb 0.50 -0.48 0.26 0.00 -1.01 0.00 0.00 64.21 63.49 1b8h n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b8h n GLY 159 N -1.57 1.93 3.36 0.23 0.00 -1.26 -4.97 105.19 102.90 1b8h n GLY 159 Ca 0.14 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 0.81 -4.36 0.00 0.99 4.77 -0.70 -4.93 117.00 113.58 1b8h n LEU 160 Ca 0.19 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1b8h n LEU 160 Cb 0.65 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 1b8h n LEU 160 CO 0.17 -0.64 -0.11 1.07 -1.33 0.00 0.00 177.39 176.54 1b8h n THR 161 N -1.14 0.00 -3.66 -5.08 5.66 -1.26 -4.94 114.28 103.86 1b8h n THR 161 Ca -0.09 -0.08 -0.27 0.00 -3.05 0.00 0.00 64.05 60.56 1b8h n THR 161 Cb 0.60 0.53 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 1b8h n THR 161 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8h n ARG 162 N -0.51 1.84 -1.50 1.09 1.74 -1.26 -5.10 116.66 112.97 1b8h n ARG 162 Ca 0.00 -4.36 -0.43 0.00 -0.77 0.00 0.00 57.85 52.29 1b8h n ARG 162 Cb 0.00 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 1b8h n ARG 162 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1b8h n PRO 163 N 1.65 0.77 -0.08 5.56 -0.04 -1.26 -4.88 135.00 136.73 1b8h n PRO 163 Ca 0.24 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1b8h n PRO 163 Cb 0.39 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 1b8h n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b8h n LYS 164 N 0.59 1.08 -4.07 0.54 5.02 -0.35 -5.00 118.16 115.97 1b8h n LYS 164 Ca 0.11 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1b8h n LYS 164 Cb 0.37 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.54 0.49 -0.26 2.13 5.04 -1.22 -4.99 117.35 116.00 1b8h s TYR 165 Ca -0.08 -1.02 -0.13 0.00 -2.44 0.00 0.00 57.07 53.40 1b8h s TYR 165 Cb 0.06 -0.37 0.09 0.00 0.35 0.00 0.00 41.96 42.10 1b8h s TYR 165 CO 0.72 -0.38 0.62 0.45 -1.34 0.00 0.00 175.55 175.62 1b8h s SER 166 N -2.83 -0.88 -0.04 4.32 0.15 -1.26 -1.14 113.70 112.02 1b8h s SER 166 Ca 0.06 1.40 0.06 0.00 0.70 0.00 0.00 55.95 58.17 1b8h s SER 166 Cb 0.07 1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 65.90 1b8h s SER 166 CO -0.10 -0.23 -0.21 -0.22 1.20 0.00 0.00 173.24 173.68 1b8h s LEU 167 N 2.01 2.01 0.26 3.45 2.96 -0.07 -4.96 118.68 124.34 1b8h s LEU 167 Ca -0.08 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 1b8h s LEU 167 Cb -0.08 -1.16 -0.08 0.00 0.50 0.00 0.00 46.19 45.37 1b8h s LEU 167 CO -0.18 0.22 0.71 -0.89 -1.32 0.00 0.00 176.35 174.89 1b8h s THR 168 N -0.20 4.65 0.00 3.68 2.01 -1.26 -0.92 115.64 123.60 1b8h s THR 168 Ca 0.00 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1b8h s THR 168 Cb -0.11 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1b8h s THR 168 CO 0.02 0.02 0.00 0.18 -0.69 0.00 0.00 174.62 174.15 1b8h n LEU 169 N 0.21 0.00 -4.82 4.42 4.77 0.54 -4.95 117.00 117.17 1b8h n LEU 169 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1b8h n LEU 169 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1b8h n LEU 169 CO 0.42 0.00 0.71 0.42 -1.33 0.00 0.00 177.39 177.61 1b8h s THR 170 N 3.16 3.98 0.38 -5.08 -4.23 -1.26 -4.73 115.64 107.86 1b8h s THR 170 Ca 0.00 0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 1b8h s THR 170 Cb 0.00 -3.38 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 1b8h s THR 170 CO 0.00 -0.81 1.40 -1.81 -0.54 0.00 0.00 174.62 172.87 1b8h s ASP 171 N -3.65 6.38 -0.48 3.99 1.01 -1.26 -1.87 116.67 120.78 1b8h s ASP 171 Ca 0.59 2.87 -0.05 0.00 0.71 0.00 0.00 52.55 56.68 1b8h s ASP 171 Cb -0.14 -2.66 0.13 0.00 1.01 0.00 0.00 42.92 41.26 1b8h s ASP 171 CO 0.53 -0.83 0.31 -0.47 0.21 0.00 0.00 175.17 174.91 1b8h s TYR 172 N -1.16 3.52 -1.15 4.23 5.04 0.35 -4.77 117.35 123.40 1b8h s TYR 172 Ca 0.54 -2.36 -0.04 0.00 -2.44 0.00 0.00 57.07 52.77 1b8h s TYR 172 Cb -0.43 -3.30 0.24 0.00 0.35 0.00 0.00 41.96 38.83 1b8h s TYR 172 CO 0.57 -0.95 1.90 -0.25 -1.34 0.00 0.00 175.55 175.49 1b8h n ASP 173 N 4.39 7.01 -3.92 4.32 8.00 -1.26 -4.30 116.55 130.79 1b8h n ASP 173 Ca -0.01 -3.40 -0.23 0.00 0.71 0.00 0.00 54.79 51.86 1b8h n ASP 173 Cb 0.40 -1.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1b8h n ASP 173 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b8h s GLY 174 N -0.69 2.46 -0.12 0.44 0.00 -1.26 -5.10 107.32 103.05 1b8h s GLY 174 Ca 0.41 -1.52 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 1b8h s GLY 174 CO -0.05 -1.71 -0.20 -1.14 0.00 0.00 0.00 173.10 170.01 1b8h n SER 175 N -1.30 1.40 -3.62 1.64 3.41 -1.26 -5.03 113.62 108.86 1b8h n SER 175 Ca -0.02 0.39 -0.33 0.00 -0.26 0.00 0.00 58.87 58.66 1b8h n SER 175 Cb 0.64 -0.73 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1b8h n SER 175 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1b8h n ASN 176 N -3.99 -5.38 -4.11 4.04 5.03 -1.26 -5.01 115.26 104.58 1b8h n ASN 176 Ca -0.08 0.18 -0.27 0.00 0.87 0.00 0.00 54.58 55.29 1b8h n ASN 176 Cb 0.29 -0.69 -0.16 0.00 -1.02 0.00 0.00 39.78 38.20 1b8h n ASN 176 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1b8h s ASN 177 N -0.90 2.18 -0.02 6.41 -0.87 -1.26 -5.01 114.94 115.46 1b8h s ASN 177 Ca 0.37 -0.37 -0.23 0.00 -1.57 0.00 0.00 52.86 51.06 1b8h s ASN 177 Cb -0.17 -0.80 0.05 0.00 -0.02 0.00 0.00 41.25 40.30 1b8h s ASN 177 CO 0.74 0.12 0.50 0.72 -2.57 0.00 0.00 177.10 176.61 1b8h s PHE 178 N 0.28 -0.43 -0.39 2.20 -0.12 -1.26 -2.55 117.98 115.72 1b8h s PHE 178 Ca -0.10 0.68 0.03 0.00 -0.05 0.00 0.00 56.93 57.49 1b8h s PHE 178 Cb -0.14 0.27 0.16 0.00 -0.63 0.00 0.00 43.02 42.68 1b8h s PHE 178 CO 0.04 -0.53 0.31 1.21 -0.05 0.00 0.00 175.22 176.21 1b8h s ASN 179 N -1.37 1.80 -0.14 1.98 2.47 0.24 -3.62 114.94 116.31 1b8h s ASN 179 Ca -0.11 -2.57 -0.29 0.00 0.42 0.00 0.00 52.86 50.31 1b8h s ASN 179 Cb -0.02 -0.23 -0.01 0.00 -1.45 0.00 0.00 41.25 39.54 1b8h s ASN 179 CO 0.06 -0.22 0.99 -0.36 -3.72 0.00 0.00 177.10 173.84 1b8h s PHE 180 N 0.58 3.47 -0.23 0.43 0.08 -0.66 -1.52 117.98 120.12 1b8h s PHE 180 Ca 0.26 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.75 1b8h s PHE 180 Cb -0.08 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1b8h s PHE 180 CO -0.10 -0.27 0.09 0.08 -0.10 0.00 0.00 175.22 174.92 1b8h s VAL 181 N 2.24 4.72 -0.05 -0.44 1.01 -1.26 -0.44 120.40 126.17 1b8h s VAL 181 Ca 0.46 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1b8h s VAL 181 Cb -0.17 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1b8h s VAL 181 CO 0.15 0.36 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 1b8h s ILE 182 N 1.18 2.90 -0.30 2.22 1.01 -0.81 -0.03 121.20 127.37 1b8h s ILE 182 Ca 0.05 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 1b8h s ILE 182 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1b8h s ILE 182 CO 0.04 0.58 1.02 0.21 0.00 0.00 0.00 174.94 176.80 1b8h s ASN 183 N -0.58 6.91 0.50 3.58 3.84 -1.26 -2.31 114.94 125.62 1b8h s ASN 183 Ca 0.08 1.03 0.29 0.00 0.21 0.00 0.00 52.86 54.47 1b8h s ASN 183 Cb -0.11 -2.52 1.38 0.00 -0.55 0.00 0.00 41.25 39.45 1b8h s ASN 183 CO 0.01 -0.81 1.84 0.24 -2.79 0.00 0.00 177.10 175.60 1b8h h MET 184 N 8.00 0.12 0.00 0.43 2.86 -0.86 0.38 114.93 125.86 1b8h h MET 184 Ca -0.21 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1b8h h MET 184 Cb 1.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1b8h h MET 184 CO 1.00 0.08 0.06 0.00 1.06 0.00 0.00 176.91 179.11 1b8h h ALA 185 N 1.54 1.06 -0.10 6.32 0.00 -1.90 -1.53 119.26 124.64 1b8h h ALA 185 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1b8h h ALA 185 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1b8h h ALA 185 CO -0.08 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.21 1b8h n ASN 186 N -3.02 2.53 -2.03 0.00 3.02 0.13 -4.51 115.26 111.38 1b8h n ASN 186 Ca -0.03 -1.83 -0.19 0.00 -0.03 0.00 0.00 54.58 52.50 1b8h n ASN 186 Cb 0.12 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.95 1.94 -0.91 3.52 2.81 -0.58 -4.76 117.12 120.09 1b8h n MET 187 Ca 0.16 -1.69 -0.21 0.00 -1.81 0.00 0.00 57.70 54.15 1b8h n MET 187 Cb 0.51 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.59 2.30 -3.35 0.03 5.02 -1.26 -4.88 118.16 116.61 1b8h n LYS 188 Ca 0.34 -1.36 -0.38 0.00 -2.02 0.00 0.00 58.31 54.89 1b8h n LYS 188 Cb 0.58 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 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 2.22 4.95 0.59 -0.18 1.01 -1.26 -4.93 121.20 123.60 1b8h s ILE 189 Ca 0.53 1.04 -0.13 0.00 0.00 0.00 0.00 60.65 62.09 1b8h s ILE 189 Cb 0.19 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1b8h s ILE 189 CO -0.03 0.50 1.02 0.00 0.00 0.00 0.00 174.94 176.43 1b8h s GLN 190 N -0.64 3.66 0.62 2.79 -2.07 -1.26 -4.99 119.66 117.78 1b8h s GLN 190 Ca 0.27 0.84 -0.19 0.00 -1.82 0.00 0.00 55.36 54.47 1b8h s GLN 190 Cb -0.17 -2.09 -0.02 0.00 -1.09 0.00 0.00 33.01 29.63 1b8h s GLN 190 CO 0.15 -0.51 1.25 -0.35 -1.32 0.00 0.00 175.29 174.50 1b8h n PRO 191 N -2.37 1.17 0.00 9.60 -0.04 -1.26 -4.93 135.00 137.18 1b8h n PRO 191 Ca 0.06 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1b8h n PRO 191 Cb 0.54 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.96 0.79 3.64 0.55 0.00 -1.26 -5.09 105.19 104.79 1b8h n GLY 192 Ca 0.15 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 6.37 0.04 1.61 0.01 -1.26 -3.12 114.94 118.59 1b8h s ASN 193 Ca 0.00 0.43 0.07 0.00 -0.71 0.00 0.00 52.86 52.66 1b8h s ASN 193 Cb 0.00 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 1b8h s ASN 193 CO 0.00 -0.13 -0.19 -0.31 -1.51 0.00 0.00 177.10 174.96 1b8h s TYR 194 N 1.64 2.52 -0.23 2.20 1.51 -0.67 -4.33 117.35 119.99 1b8h s TYR 194 Ca 0.18 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 1b8h s TYR 194 Cb -0.15 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1b8h s TYR 194 CO 0.09 0.23 0.28 0.21 -1.11 0.00 0.00 175.55 175.25 1b8h s LYS 195 N -1.41 4.09 -0.25 -0.62 2.20 0.82 -1.17 119.74 123.41 1b8h s LYS 195 Ca 0.14 -0.05 -0.08 0.00 -0.36 0.00 0.00 55.97 55.62 1b8h s LYS 195 Cb -0.10 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1b8h s LYS 195 CO 0.05 -0.05 0.10 0.08 -0.36 0.00 0.00 175.35 175.16 1b8h s VAL 196 N 1.38 4.63 -0.24 4.02 1.01 0.11 -1.98 120.40 129.32 1b8h s VAL 196 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1b8h s VAL 196 Cb -0.15 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1b8h s VAL 196 CO 0.07 0.34 -0.08 -0.04 0.00 0.00 0.00 175.10 175.39 1b8h s MET 197 N 1.45 2.78 -0.15 2.72 -1.94 -0.60 0.69 119.30 124.26 1b8h s MET 197 Ca 0.06 -1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 52.99 1b8h s MET 197 Cb -0.15 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 1b8h s MET 197 CO 0.05 -0.40 -0.00 -0.51 -0.01 0.00 0.00 175.02 174.15 1b8h s LEU 198 N 1.30 3.47 -0.07 -0.03 1.43 0.11 -1.16 118.68 123.72 1b8h s LEU 198 Ca -0.00 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1b8h s LEU 198 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1b8h s LEU 198 CO -0.05 0.21 -0.17 0.86 0.23 0.00 0.00 176.35 177.43 1b8h s TRP 199 N 0.14 1.84 -0.07 0.29 -0.00 -0.56 -0.21 118.94 120.36 1b8h s TRP 199 Ca 0.01 -0.66 0.02 0.00 -0.00 0.00 0.00 56.10 55.47 1b8h s TRP 199 Cb -0.13 -1.27 0.01 0.00 -0.00 0.00 0.00 33.47 32.08 1b8h s TRP 199 CO 0.02 -0.28 -0.13 0.20 -0.00 0.00 0.00 176.95 176.75 1b8h s GLY 200 N 0.40 0.83 -0.34 5.86 0.00 -1.26 -2.42 107.32 110.39 1b8h s GLY 200 Ca -0.13 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.18 1b8h s GLY 200 CO 0.05 0.08 0.50 0.00 0.00 0.00 0.00 173.10 173.72 1b8h s ALA 201 N 0.62 -1.60 0.00 3.20 0.00 -0.54 -4.69 121.76 118.75 1b8h s ALA 201 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1b8h s ALA 201 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1b8h s ALA 201 CO 0.04 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1b8h n GLY 202 N 4.92 1.69 0.25 0.00 0.00 -1.26 -1.76 105.19 109.03 1b8h n GLY 202 Ca 0.06 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 6.10 1.06 -4.62 1.61 8.00 -1.26 -4.80 116.55 122.64 1b8h n ASP 203 Ca 0.00 -0.90 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 1b8h n ASP 203 Cb 0.00 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.52 3.96 -0.03 -1.24 1.02 -0.72 -5.00 119.74 115.20 1b8h s LYS 204 Ca 0.23 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.05 1b8h s LYS 204 Cb 0.19 -3.77 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1b8h s LYS 204 CO 0.53 -0.91 -0.06 0.14 -0.92 0.00 0.00 175.35 174.13 1b8h s VAL 205 N 3.54 0.56 0.03 3.17 -7.23 -1.26 -1.47 120.40 117.75 1b8h s VAL 205 Ca 0.41 -0.22 -0.18 0.00 -1.81 0.00 0.00 61.98 60.19 1b8h s VAL 205 Cb -0.12 -0.53 0.03 0.00 0.56 0.00 0.00 36.38 36.33 1b8h s VAL 205 CO 0.17 0.20 0.40 0.00 -0.31 0.00 0.00 175.10 175.56 1b8h s ALA 206 N 0.39 -0.99 0.15 1.32 0.00 -1.01 -2.95 121.76 118.66 1b8h s ALA 206 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1b8h s ALA 206 Cb -0.09 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1b8h s ALA 206 CO 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 175.76 175.15 1b8h s ALA 207 N -2.32 1.93 -0.07 0.00 0.00 -0.31 -1.50 121.76 119.49 1b8h s ALA 207 Ca -0.06 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 1b8h s ALA 207 Cb -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1b8h s ALA 207 CO -0.01 0.24 0.01 0.21 0.00 0.00 0.00 175.76 176.21 1b8h s LYS 208 N -2.65 0.57 -0.18 0.00 2.20 -0.31 -0.97 119.74 118.40 1b8h s LYS 208 Ca 0.14 0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1b8h s LYS 208 Cb -0.06 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.25 1b8h s LYS 208 CO 0.06 -0.31 0.02 -0.06 -0.36 0.00 0.00 175.35 174.69 1b8h s PHE 209 N 1.98 3.12 -0.04 4.03 0.40 -0.69 -1.55 117.98 125.23 1b8h s PHE 209 Ca 0.05 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1b8h s PHE 209 Cb -0.12 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.37 1b8h s PHE 209 CO -0.05 -0.02 -0.08 -2.00 0.70 0.00 0.00 175.22 173.77 1b8h s GLU 210 N 0.56 1.04 0.43 0.44 2.12 -0.84 -0.44 118.70 122.01 1b8h s GLU 210 Ca 0.00 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1b8h s GLU 210 Cb -0.14 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 1b8h s GLU 210 CO 0.02 0.05 0.07 -1.54 -0.54 0.00 0.00 175.26 173.31 1b8h s SER 211 N 0.46 3.29 0.57 -1.70 1.04 -0.60 -0.12 113.70 116.64 1b8h s SER 211 Ca -0.07 -1.61 0.35 0.00 0.48 0.00 0.00 55.95 55.10 1b8h s SER 211 Cb -0.11 0.37 1.59 0.00 0.10 0.00 0.00 66.02 67.97 1b8h s SER 211 CO 0.01 -0.83 2.07 0.77 0.98 0.00 0.00 173.24 176.24 1b8h h SER 212 N 1.67 0.00 0.00 7.02 4.64 -2.02 -3.34 113.55 121.53 1b8h h SER 212 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1b8h h SER 212 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1b8h h SER 212 CO 0.66 0.02 -0.49 0.00 -0.87 0.00 0.00 176.83 176.15 1b8h n GLN 213 N -3.13 0.33 -3.96 4.77 1.13 -1.26 -5.01 117.38 110.25 1b8h n GLN 213 Ca -0.00 0.32 -0.25 0.00 -1.94 0.00 0.00 57.00 55.13 1b8h n GLN 213 Cb 0.26 -1.30 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 1b8h n GLN 213 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1b8h n VAL 214 N -3.88 0.00 -3.66 5.09 0.31 -1.25 -4.16 118.33 110.78 1b8h n VAL 214 Ca -0.07 -1.91 -0.06 0.00 -0.01 0.00 0.00 64.34 62.29 1b8h n VAL 214 Cb 0.26 0.25 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 1b8h n VAL 214 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1b8h s SER 215 N -3.39 -0.70 0.13 4.52 0.01 -0.34 -1.56 113.70 112.37 1b8h s SER 215 Ca 0.07 1.27 0.08 0.00 1.31 0.00 0.00 55.95 58.68 1b8h s SER 215 Cb -0.01 1.65 -0.04 0.00 0.21 0.00 0.00 66.02 67.84 1b8h s SER 215 CO 0.05 -0.22 -0.13 -0.31 0.41 0.00 0.00 173.24 173.03 1b8h s TYR 216 N 2.47 2.62 -0.15 2.43 1.51 0.42 -1.15 117.35 125.50 1b8h s TYR 216 Ca -0.05 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1b8h s TYR 216 Cb -0.11 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1b8h s TYR 216 CO -0.16 0.44 -0.09 0.08 -1.11 0.00 0.00 175.55 174.71 1b8h s VAL 217 N -1.33 1.29 0.13 0.71 1.01 0.59 -1.71 120.40 121.10 1b8h s VAL 217 Ca 0.21 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1b8h s VAL 217 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1b8h s VAL 217 CO 0.13 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1b8h s ILE 218 N 1.58 3.32 -0.08 2.22 1.01 -0.14 -0.77 121.20 128.33 1b8h s ILE 218 Ca 0.03 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.11 1b8h s ILE 218 Cb -0.14 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1b8h s ILE 218 CO -0.09 0.03 0.44 0.00 0.00 0.00 0.00 174.94 175.32 1b8h s ALA 219 N -1.39 3.55 0.08 9.38 0.00 -0.97 -1.16 121.76 131.25 1b8h s ALA 219 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 1b8h s ALA 219 Cb -0.10 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1b8h s ALA 219 CO 0.14 0.16 0.27 -1.64 0.00 0.00 0.00 175.76 174.69 1b8h s MET 220 N 0.08 3.51 0.79 0.00 1.00 -1.15 -4.68 119.30 118.84 1b8h s MET 220 Ca 0.24 -0.30 -0.12 0.00 0.00 0.00 0.00 55.69 55.51 1b8h s MET 220 Cb -0.15 -2.98 0.07 0.00 0.00 0.00 0.00 34.83 31.77 1b8h s MET 220 CO 0.11 0.57 1.14 -1.21 0.00 0.00 0.00 175.02 175.63 1b8h s GLU 221 N -2.49 1.91 0.44 2.03 0.41 0.96 -4.82 118.70 117.14 1b8h s GLU 221 Ca 0.36 1.47 0.30 0.00 -0.41 0.00 0.00 54.97 56.70 1b8h s GLU 221 Cb -0.13 -1.83 1.57 0.00 -1.78 0.00 0.00 34.13 31.96 1b8h s GLU 221 CO 0.26 -1.95 1.92 0.00 -0.49 0.00 0.00 175.26 175.00 1b8h h ALA 222 N -0.99 1.00 0.00 5.21 0.00 -1.95 -2.27 119.26 120.26 1b8h h ALA 222 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1b8h h ALA 222 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b8h h ALA 222 CO 0.48 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.29 1b8h h ASP 223 N 0.00 0.00 -3.82 0.00 3.32 -1.91 -3.45 116.42 110.56 1b8h h ASP 223 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1b8h h ASP 223 Cb 0.09 0.00 0.19 0.00 0.22 0.00 0.00 39.33 39.83 1b8h h ASP 223 CO 0.00 0.00 0.01 -1.20 -1.72 0.00 0.00 179.24 176.33 1b8h n SER 224 N -2.33 -0.01 -3.78 6.45 7.64 -0.86 -4.81 113.62 115.94 1b8h n SER 224 Ca 0.03 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.33 1b8h n SER 224 Cb 0.29 -1.39 -0.11 0.00 -1.01 0.00 0.00 64.21 61.99 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 -2.10 0.01 0.01 0.44 -4.23 -0.58 -4.96 115.64 104.22 1b8h s THR 225 Ca 0.69 -0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.87 1b8h s THR 225 Cb -0.29 -0.41 0.10 0.00 1.34 0.00 0.00 72.50 73.24 1b8h s THR 225 CO 0.55 -0.02 0.87 -1.38 -0.54 0.00 0.00 174.62 174.10 1b8h s HIS 226 N 0.03 -0.35 -0.52 3.99 -3.43 -1.26 0.79 115.29 114.54 1b8h s HIS 226 Ca -0.01 0.21 0.07 0.00 -0.80 0.00 0.00 55.06 54.52 1b8h s HIS 226 Cb -0.02 0.54 0.35 0.00 -1.43 0.00 0.00 32.58 32.02 1b8h s HIS 226 CO 0.01 -0.57 0.92 -0.40 -2.00 0.00 0.00 174.74 172.70 1b8h n ASP 227 N -0.26 3.75 -0.86 7.38 5.68 -1.06 -5.00 116.55 126.19 1b8h n ASP 227 Ca -0.09 -3.54 0.12 0.00 -0.50 0.00 0.00 54.79 50.78 1b8h n ASP 227 Cb 0.62 -0.56 0.19 0.00 -1.14 0.00 0.00 41.12 40.23 1b8h n ASP 227 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36