#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8i s PHE 2 N 0.00 3.25 0.00 1.61 2.99 -1.26 -5.09 117.98 119.48 1k8i s PHE 2 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 56.93 58.00 1k8i s PHE 2 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 43.02 39.94 1k8i s PHE 2 CO 0.00 -1.27 -0.01 0.08 -0.00 0.00 0.00 175.22 174.02 1k8i s VAL 3 N -3.33 0.03 0.06 -0.44 1.01 -1.26 -4.98 120.40 111.49 1k8i s VAL 3 Ca 0.59 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1k8i s VAL 3 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1k8i s VAL 3 CO 0.52 -0.09 -0.17 0.00 0.00 0.00 0.00 175.10 175.36 1k8i s ALA 4 N -0.29 1.42 -0.01 5.51 0.00 -1.26 0.05 121.76 127.17 1k8i s ALA 4 Ca -0.03 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1k8i s ALA 4 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1k8i s ALA 4 CO -0.00 0.27 -0.19 -1.01 0.00 0.00 0.00 175.76 174.83 1k8i s HIS 5 N -0.97 1.72 -0.64 0.00 3.76 0.11 -4.97 115.29 114.30 1k8i s HIS 5 Ca 0.03 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1k8i s HIS 5 Cb -0.09 -1.11 0.16 0.00 1.11 0.00 0.00 32.58 32.65 1k8i s HIS 5 CO 0.02 -0.03 0.42 0.08 -0.85 0.00 0.00 174.74 174.38 1k8i s VAL 6 N -0.45 2.72 -0.06 -0.90 1.01 -1.26 -1.34 120.40 120.11 1k8i s VAL 6 Ca 0.07 -3.93 -0.15 0.00 0.00 0.00 0.00 61.98 57.97 1k8i s VAL 6 Cb -0.07 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1k8i s VAL 6 CO -0.01 -0.95 0.41 -0.70 0.00 0.00 0.00 175.10 173.85 1k8i s GLU 7 N -1.04 4.08 -0.30 2.72 2.12 -0.35 -4.92 118.70 121.01 1k8i s GLU 7 Ca 0.23 0.38 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 1k8i s GLU 7 Cb -0.11 -3.31 0.10 0.00 0.26 0.00 0.00 34.13 31.07 1k8i s GLU 7 CO -0.11 0.48 0.11 -1.54 -0.54 0.00 0.00 175.26 173.66 1k8i s SER 8 N -0.39 3.79 -0.01 -1.70 1.04 -1.26 -0.07 113.70 115.10 1k8i s SER 8 Ca 0.23 -1.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.00 1k8i s SER 8 Cb -0.16 -0.61 -0.05 0.00 0.10 0.00 0.00 66.02 65.30 1k8i s SER 8 CO 0.11 -0.43 0.52 -0.89 0.98 0.00 0.00 173.24 173.53 1k8i s THR 9 N 1.84 4.96 -0.22 2.02 2.01 -1.15 -4.95 115.64 120.15 1k8i s THR 9 Ca 0.09 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.18 1k8i s THR 9 Cb -0.17 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.55 1k8i s THR 9 CO -0.31 0.47 -0.10 0.00 -0.69 0.00 0.00 174.62 173.99 1k8i s VAL 11 N 1.32 5.16 0.03 0.00 1.01 -1.10 -5.03 120.40 121.79 1k8i s VAL 11 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1k8i s VAL 11 Cb -0.17 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1k8i s VAL 11 CO -0.07 0.45 0.06 -0.76 0.00 0.00 0.00 175.10 174.78 1k8i s LEU 12 N 0.32 1.96 0.00 3.92 1.02 -1.26 0.19 118.68 124.82 1k8i s LEU 12 Ca 0.06 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.67 1k8i s LEU 12 Cb -0.12 0.45 0.13 0.00 0.02 0.00 0.00 46.19 46.67 1k8i s LEU 12 CO -0.01 -0.46 0.89 -0.46 0.02 0.00 0.00 176.35 176.33 1k8i n ASN 13 N 0.93 1.35 -3.90 2.29 6.94 -0.73 -4.93 115.26 117.21 1k8i n ASN 13 Ca -0.20 -2.11 -0.29 0.00 -0.02 0.00 0.00 54.58 51.96 1k8i n ASN 13 Cb 0.58 -0.56 0.28 0.00 -2.36 0.00 0.00 39.78 37.71 1k8i n ASN 13 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1k8i s ASP 14 N -4.67 -0.32 0.00 0.53 1.01 -1.26 -3.30 116.67 108.65 1k8i s ASP 14 Ca 0.60 1.15 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1k8i s ASP 14 Cb -0.04 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.17 1k8i s ASP 14 CO 0.40 -4.95 0.00 0.00 0.21 0.00 0.00 175.17 170.82 1k8i n ALA 15 N -5.39 0.00 0.00 5.23 0.00 -1.26 -3.66 120.51 115.43 1k8i n ALA 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1k8i n ALA 15 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1k8i n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8i n GLY 16 N 0.00 0.00 3.51 0.00 0.00 -1.21 -4.82 105.19 102.67 1k8i n GLY 16 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1k8i n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8i s THR 17 N 0.00 4.93 0.50 2.61 2.01 -1.24 -4.84 115.64 119.60 1k8i s THR 17 Ca 0.00 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 1k8i s THR 17 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 1k8i s THR 17 CO 0.00 0.18 1.41 -2.84 -0.69 0.00 0.00 174.62 172.68 1k8i s PRO 18 N 1.69 3.42 0.00 4.92 0.02 -1.26 -1.77 135.00 142.02 1k8i s PRO 18 Ca 0.06 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1k8i s PRO 18 Cb -0.16 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.88 1k8i s PRO 18 CO 0.08 -1.01 0.00 0.94 -0.33 0.00 0.00 177.00 176.68 1k8i n GLN 19 N -0.58 3.07 -3.62 5.54 -0.06 0.13 -4.86 117.38 117.00 1k8i n GLN 19 Ca 0.07 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.97 1k8i n GLN 19 Cb 0.43 -0.90 -0.03 0.00 -4.06 0.00 0.00 30.24 25.69 1k8i n GLN 19 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1k8i s ASP 20 N -2.54 -0.40 -0.21 1.69 2.15 -1.15 -5.02 116.67 111.19 1k8i s ASP 20 Ca 0.00 -0.29 -0.25 0.00 0.43 0.00 0.00 52.55 52.44 1k8i s ASP 20 Cb 0.00 0.62 0.07 0.00 -0.30 0.00 0.00 42.92 43.31 1k8i s ASP 20 CO 0.00 -1.08 0.67 0.12 -0.17 0.00 0.00 175.17 174.71 1k8i s PHE 21 N -3.83 -0.72 0.14 -5.34 5.36 -1.26 -2.71 117.98 109.62 1k8i s PHE 21 Ca 0.06 1.67 -0.09 0.00 -0.96 0.00 0.00 56.93 57.61 1k8i s PHE 21 Cb -0.02 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 42.93 1k8i s PHE 21 CO -0.05 -0.40 0.25 0.95 -1.46 0.00 0.00 175.22 174.50 1k8i s THR 22 N 0.05 0.09 -0.12 0.12 -4.23 -0.96 -4.96 115.64 105.62 1k8i s THR 22 Ca -0.02 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1k8i s THR 22 Cb -0.04 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 72.18 1k8i s THR 22 CO 0.03 -0.41 0.29 -0.47 -0.54 0.00 0.00 174.62 173.51 1k8i s TYR 23 N -3.93 -0.41 -0.15 3.99 5.04 -1.26 -2.95 117.35 117.67 1k8i s TYR 23 Ca 0.13 0.93 -0.09 0.00 -2.44 0.00 0.00 57.07 55.60 1k8i s TYR 23 Cb 0.04 0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.49 1k8i s TYR 23 CO -0.04 -0.28 0.38 0.00 -1.34 0.00 0.00 175.55 174.27 1k8i s VAL 25 N 1.12 5.34 -0.18 0.00 1.01 -0.05 -1.21 120.40 126.44 1k8i s VAL 25 Ca -0.08 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1k8i s VAL 25 Cb -0.07 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1k8i s VAL 25 CO -0.09 0.56 0.32 -0.44 0.00 0.00 0.00 175.10 175.45 1k8i s SER 26 N -0.74 0.34 0.03 3.32 0.01 -0.45 -1.68 113.70 114.53 1k8i s SER 26 Ca 0.17 0.48 -0.08 0.00 1.31 0.00 0.00 55.95 57.83 1k8i s SER 26 Cb -0.13 0.90 -0.05 0.00 0.21 0.00 0.00 66.02 66.94 1k8i s SER 26 CO 0.06 -0.26 0.32 0.12 0.41 0.00 0.00 173.24 173.89 1k8i s PHE 27 N 2.48 3.59 0.00 2.43 5.36 -1.16 -0.71 117.98 129.96 1k8i s PHE 27 Ca 0.04 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1k8i s PHE 27 Cb -0.13 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1k8i s PHE 27 CO -0.12 0.58 0.00 -1.71 -1.46 0.00 0.00 175.22 172.51 1k8i n ASN 28 N 1.08 -1.76 -0.16 6.13 5.15 0.11 -2.47 115.26 123.34 1k8i n ASN 28 Ca -0.10 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.01 1k8i n ASN 28 Cb 0.53 0.00 0.35 0.00 -0.53 0.00 0.00 39.78 40.13 1k8i n ASN 28 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1k8i n LYS 29 N 0.00 0.56 -2.35 1.20 5.02 -1.26 -4.74 118.16 116.59 1k8i n LYS 29 Ca 0.00 -0.32 -0.35 0.00 -2.02 0.00 0.00 58.31 55.63 1k8i n LYS 29 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 1k8i n LYS 29 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k8i s ASP 30 N -2.66 5.94 -0.16 4.39 3.68 -1.03 -5.02 116.67 121.80 1k8i s ASP 30 Ca 0.20 2.07 -0.07 0.00 2.13 0.00 0.00 52.55 56.88 1k8i s ASP 30 Cb 0.19 -2.57 -0.04 0.00 -1.45 0.00 0.00 42.92 39.04 1k8i s ASP 30 CO 0.57 -1.07 0.09 -0.22 0.13 0.00 0.00 175.17 174.68 1k8i s LEU 31 N -3.72 4.02 0.00 -1.34 0.20 -1.26 -3.00 118.68 113.57 1k8i s LEU 31 Ca 0.70 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.74 1k8i s LEU 31 Cb -0.21 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1k8i s LEU 31 CO 0.25 0.25 0.00 0.18 -0.29 0.00 0.00 176.35 176.74 1k8i n LEU 32 N 3.03 0.31 -4.08 -0.68 4.77 -0.68 -3.51 117.00 116.16 1k8i n LEU 32 Ca -0.17 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 1k8i n LEU 32 Cb 0.53 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1k8i n LEU 32 CO 0.34 -0.19 -0.40 0.00 -1.33 0.00 0.00 177.39 175.81 1k8i s ALA 33 N -4.14 0.65 0.05 -1.18 0.00 -0.89 0.16 121.76 116.40 1k8i s ALA 33 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1k8i s ALA 33 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1k8i s ALA 33 CO 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 175.76 175.58 1k8i s TRP 35 N -1.09 2.75 -0.35 0.00 -0.00 -0.40 -0.43 118.94 119.42 1k8i s TRP 35 Ca -0.03 1.54 -0.01 0.00 -0.00 0.00 0.00 56.10 57.60 1k8i s TRP 35 Cb -0.09 -3.12 0.13 0.00 -0.00 0.00 0.00 33.47 30.40 1k8i s TRP 35 CO 0.01 -1.49 0.19 0.34 -0.00 0.00 0.00 176.95 176.00 1k8i s ASP 36 N -2.64 3.28 0.34 5.86 -1.08 -0.47 -4.75 116.67 117.20 1k8i s ASP 36 Ca 0.66 -2.03 0.13 0.00 -0.52 0.00 0.00 52.55 50.79 1k8i s ASP 36 Cb -0.19 -0.53 0.71 0.00 -1.46 0.00 0.00 42.92 41.45 1k8i s ASP 36 CO 0.40 -0.34 1.30 1.55 0.52 0.00 0.00 175.17 178.60 1k8i h PRO 37 N 7.34 0.00 0.17 4.34 0.13 -1.90 0.37 132.00 142.44 1k8i h PRO 37 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1k8i h PRO 37 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1k8i h PRO 37 CO 0.35 0.00 -0.08 -0.44 -0.23 0.00 0.00 178.00 177.60 1k8i h ASP 38 N 0.00 -0.20 0.81 1.44 3.45 -1.95 -3.27 116.42 116.70 1k8i h ASP 38 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1k8i h ASP 38 Cb 0.63 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1k8i h ASP 38 CO 0.00 0.16 0.00 0.58 -1.57 0.00 0.00 179.24 178.41 1k8i h VAL 39 N -0.83 0.00 0.00 -1.35 2.07 -1.71 -3.46 116.25 110.98 1k8i h VAL 39 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1k8i h VAL 39 Cb 0.18 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1k8i h VAL 39 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1k8i n GLY 40 N 0.06 1.22 3.70 2.17 0.00 0.12 -4.97 105.19 107.49 1k8i n GLY 40 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1k8i n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8i s LYS 41 N -0.19 2.09 -0.46 1.61 1.02 -1.23 -4.90 119.74 117.69 1k8i s LYS 41 Ca 0.00 -2.11 -0.23 0.00 0.02 0.00 0.00 55.97 53.64 1k8i s LYS 41 Cb 0.00 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1k8i s LYS 41 CO 0.00 -0.17 0.80 0.42 -0.92 0.00 0.00 175.35 175.49 1k8i s ILE 42 N -2.73 4.62 -0.07 2.17 1.01 -1.26 -1.37 121.20 123.57 1k8i s ILE 42 Ca 0.29 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 1k8i s ILE 42 Cb 0.06 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1k8i s ILE 42 CO 0.16 -0.75 0.26 -0.69 0.00 0.00 0.00 174.94 173.91 1k8i s VAL 43 N 3.36 5.29 0.76 2.92 1.01 0.43 -4.78 120.40 129.39 1k8i s VAL 43 Ca 0.30 0.49 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 1k8i s VAL 43 Cb -0.12 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1k8i s VAL 43 CO 0.23 0.59 1.08 -2.84 0.00 0.00 0.00 175.10 174.16 1k8i s PRO 44 N -0.95 2.37 0.00 2.72 0.02 -1.26 -0.25 135.00 137.65 1k8i s PRO 44 Ca 0.19 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.30 1k8i s PRO 44 Cb -0.14 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1k8i s PRO 44 CO 0.08 -1.54 0.00 0.00 -0.33 0.00 0.00 177.00 175.21 1k8i n GLU 46 N 0.00 0.00 -1.05 0.00 -0.58 -1.23 -4.74 120.64 113.03 1k8i n GLU 46 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1k8i n GLU 46 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1k8i n GLU 46 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1k8i n PHE 47 N 0.00 1.68 -0.34 -0.32 3.01 -1.26 -4.39 117.46 115.83 1k8i n PHE 47 Ca 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 57.45 56.03 1k8i n PHE 47 Cb 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 1k8i n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k8i n GLY 48 N 3.46 1.44 0.27 1.37 0.00 -1.26 -4.71 105.19 105.76 1k8i n GLY 48 Ca 0.61 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1k8i n GLY 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1k8i h VAL 49 N 0.00 0.75 -0.31 1.61 3.04 -2.03 -1.77 116.25 117.55 1k8i h VAL 49 Ca 0.00 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1k8i h VAL 49 Cb 0.00 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1k8i h VAL 49 CO 0.00 0.04 0.01 0.18 -1.01 0.00 0.00 177.57 176.79 1k8i n LEU 50 N -4.08 3.51 -0.29 3.16 4.77 -1.26 -4.40 117.00 118.41 1k8i n LEU 50 Ca -0.03 -1.78 0.07 0.00 -0.03 0.00 0.00 56.01 54.24 1k8i n LEU 50 Cb 0.13 -0.60 0.22 0.00 -2.33 0.00 0.00 43.42 40.84 1k8i n LEU 50 CO 0.31 0.46 1.08 0.28 -1.33 0.00 0.00 177.39 178.18 1k8i h SER 51 N 2.01 0.46 0.48 -1.43 0.02 -1.52 -1.67 113.55 111.89 1k8i h SER 51 Ca 0.01 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1k8i h SER 51 Cb 1.29 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 1k8i h SER 51 CO 0.27 0.18 -0.49 -0.09 -1.14 0.00 0.00 176.83 175.56 1k8i h ARG 52 N 0.57 -0.94 -0.91 3.45 2.43 -1.85 -2.46 114.38 114.67 1k8i h ARG 52 Ca 0.46 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.89 1k8i h ARG 52 Cb 0.67 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.32 1k8i h ARG 52 CO -0.38 -0.62 0.46 1.25 -1.51 0.00 0.00 179.97 179.16 1k8i h LEU 53 N -0.97 0.48 -0.18 3.80 5.85 -1.69 -2.14 115.31 120.46 1k8i h LEU 53 Ca -0.06 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1k8i h LEU 53 Cb 0.85 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1k8i h LEU 53 CO -0.07 0.10 -0.38 0.00 -0.34 0.00 0.00 178.44 177.74 1k8i h ALA 54 N 1.67 -0.48 -0.34 1.25 0.00 -0.85 -1.57 119.26 118.94 1k8i h ALA 54 Ca 0.55 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.55 1k8i h ALA 54 Cb 0.97 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1k8i h ALA 54 CO -0.46 -0.87 -0.35 0.93 0.00 0.00 0.00 179.25 178.50 1k8i h GLU 55 N -0.43 -0.30 0.02 0.00 5.08 -1.28 -2.68 114.58 114.99 1k8i h GLU 55 Ca 0.10 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1k8i h GLU 55 Cb 0.59 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1k8i h GLU 55 CO -0.41 -0.20 -0.24 0.82 -1.00 0.00 0.00 179.01 177.98 1k8i h ILE 56 N -0.31 0.00 -0.75 3.13 2.04 -1.42 -1.36 117.51 118.84 1k8i h ILE 56 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1k8i h ILE 56 Cb 0.55 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.51 1k8i h ILE 56 CO -0.50 0.00 -0.30 -0.38 0.00 0.00 0.00 178.15 176.97 1k8i n ILE 57 N -3.81 -0.40 -0.05 -0.67 2.08 -0.64 -0.06 119.36 115.81 1k8i n ILE 57 Ca -0.03 1.76 -0.11 0.00 0.56 0.00 0.00 62.75 64.92 1k8i n ILE 57 Cb 0.18 -2.32 -0.05 0.00 -0.75 0.00 0.00 39.64 36.70 1k8i n ILE 57 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1k8i h SER 58 N 0.00 0.25 -0.04 4.38 4.64 -1.15 -1.91 113.55 119.72 1k8i h SER 58 Ca 0.26 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1k8i h SER 58 Cb 0.44 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 1k8i h SER 58 CO -0.74 0.38 -0.38 0.78 -0.87 0.00 0.00 176.83 176.00 1k8i h ASN 59 N 0.11 -1.15 -0.31 4.97 -0.26 0.66 0.75 115.58 120.35 1k8i h ASN 59 Ca 0.06 0.15 0.07 0.00 -0.56 0.00 0.00 56.30 56.02 1k8i h ASN 59 Cb 0.21 0.46 -0.08 0.00 -1.06 0.00 0.00 38.32 37.86 1k8i h ASN 59 CO -0.00 -0.42 -0.25 0.40 -1.06 0.00 0.00 177.43 176.10 1k8i h ILE 60 N -0.51 0.36 -0.35 2.81 5.03 -1.18 0.28 117.51 123.95 1k8i h ILE 60 Ca 0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.78 1k8i h ILE 60 Cb 0.61 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 1k8i h ILE 60 CO -0.32 0.00 0.11 -0.07 -0.68 0.00 0.00 178.15 177.19 1k8i h LEU 61 N -0.22 0.46 -0.35 1.44 3.38 -0.71 -2.74 115.31 116.56 1k8i h LEU 61 Ca 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1k8i h LEU 61 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1k8i h LEU 61 CO -0.44 0.44 0.06 0.78 0.09 0.00 0.00 178.44 179.37 1k8i h ASN 62 N 0.50 0.56 0.00 -0.43 2.35 0.39 -3.14 115.58 115.81 1k8i h ASN 62 Ca 0.12 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 1k8i h ASN 62 Cb 0.15 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1k8i h ASN 62 CO -0.01 0.68 -0.15 -1.84 -1.65 0.00 0.00 177.43 174.46 1k8i n GLU 63 N -4.57 1.36 -3.57 0.81 0.28 0.06 -4.58 120.64 110.42 1k8i n GLU 63 Ca -0.01 -0.46 -0.29 0.00 -0.16 0.00 0.00 57.16 56.23 1k8i n GLU 63 Cb 0.22 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.44 1k8i n GLU 63 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1k8i s GLN 64 N 0.72 0.51 0.28 3.44 -1.52 -1.19 -5.02 119.66 116.88 1k8i s GLN 64 Ca 0.31 -1.03 -0.05 0.00 -1.95 0.00 0.00 55.36 52.65 1k8i s GLN 64 Cb 0.15 -1.47 0.55 0.00 -0.22 0.00 0.00 33.01 32.01 1k8i s GLN 64 CO 0.00 -1.09 1.53 -0.85 -0.25 0.00 0.00 175.29 174.63 1k8i n GLU 65 N 4.63 -0.09 0.51 2.91 0.00 -1.26 -1.81 120.64 125.53 1k8i n GLU 65 Ca 0.02 1.51 -0.21 0.00 0.00 0.00 0.00 57.16 58.48 1k8i n GLU 65 Cb 0.40 -2.30 -0.10 0.00 0.00 0.00 0.00 31.44 29.44 1k8i n GLU 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1k8i h SER 66 N 0.00 -1.17 -0.13 -1.84 0.02 -1.96 -1.11 113.55 107.35 1k8i h SER 66 Ca 0.51 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.55 1k8i h SER 66 Cb 0.88 0.31 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 1k8i h SER 66 CO -0.98 -0.80 -0.38 0.25 -1.14 0.00 0.00 176.83 173.77 1k8i h LEU 67 N -1.32 -1.19 -0.24 5.07 5.85 -1.69 1.02 115.31 122.81 1k8i h LEU 67 Ca -0.13 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1k8i h LEU 67 Cb 1.02 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 1k8i h LEU 67 CO 0.20 -0.40 -0.01 0.40 -0.34 0.00 0.00 178.44 178.28 1k8i h ILE 68 N -0.46 0.81 0.00 4.05 1.08 -1.44 0.35 117.51 121.90 1k8i h ILE 68 Ca 0.08 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1k8i h ILE 68 Cb 0.60 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1k8i h ILE 68 CO -0.38 0.01 0.00 -0.74 -0.69 0.00 0.00 178.15 176.35 1k8i h HIS 69 N 0.06 0.00 0.00 1.37 2.76 -0.17 0.20 115.15 119.37 1k8i h HIS 69 Ca 0.12 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1k8i h HIS 69 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1k8i h HIS 69 CO -0.20 0.00 -0.05 -0.09 -1.30 0.00 0.00 177.93 176.28 1k8i h ARG 70 N 0.00 0.03 0.77 5.26 2.43 0.28 -3.13 114.38 120.02 1k8i h ARG 70 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1k8i h ARG 70 Cb 0.41 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1k8i h ARG 70 CO 0.00 0.84 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.86 1k8i h LEU 71 N -0.76 -0.87 -0.93 3.80 3.38 0.21 -1.71 115.31 118.43 1k8i h LEU 71 Ca -0.01 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.15 1k8i h LEU 71 Cb 0.86 0.23 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1k8i h LEU 71 CO 0.01 -0.59 -0.28 0.00 0.09 0.00 0.00 178.44 177.67 1k8i n GLN 72 N -5.51 -0.13 0.00 1.13 1.13 0.64 0.86 117.38 115.50 1k8i n GLN 72 Ca -0.14 1.44 -0.06 0.00 -1.94 0.00 0.00 57.00 56.30 1k8i n GLN 72 Cb 0.42 -2.15 0.14 0.00 0.11 0.00 0.00 30.24 28.75 1k8i n GLN 72 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1k8i h ASN 73 N 0.00 0.55 0.00 1.08 -0.00 -1.47 -3.42 115.58 112.32 1k8i h ASN 73 Ca 0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1k8i h ASN 73 Cb 0.64 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 1k8i h ASN 73 CO -0.95 0.86 0.00 0.61 -0.00 0.00 0.00 177.43 177.96 1k8i n GLY 74 N -0.13 0.00 0.36 1.57 0.00 0.25 -0.93 105.19 106.31 1k8i n GLY 74 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 1k8i n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k8i h LEU 75 N 0.00 0.52 -1.18 0.99 3.38 -1.82 0.46 115.31 117.65 1k8i h LEU 75 Ca 0.00 0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1k8i h LEU 75 Cb 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1k8i h LEU 75 CO 0.00 -0.04 -0.25 1.56 0.09 0.00 0.00 178.44 179.80 1k8i h GLN 76 N 0.38 0.25 0.36 1.13 4.20 -1.39 -2.83 115.11 117.21 1k8i h GLN 76 Ca 0.70 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 59.31 1k8i h GLN 76 Cb 1.62 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1k8i h GLN 76 CO -0.49 0.49 -0.17 0.22 -0.67 0.00 0.00 178.83 178.21 1k8i h ASP 77 N 0.23 -0.41 -0.64 1.46 3.58 -0.27 -3.20 116.42 117.17 1k8i h ASP 77 Ca 0.04 -0.15 0.26 0.00 0.42 0.00 0.00 57.03 57.60 1k8i h ASP 77 Cb 0.57 0.10 -0.12 0.00 1.72 0.00 0.00 39.33 41.61 1k8i h ASP 77 CO 0.04 0.01 0.33 0.00 -2.88 0.00 0.00 179.24 176.75 1k8i h ALA 79 N 1.28 -0.61 -0.34 0.00 0.00 -1.55 -2.62 119.26 115.42 1k8i h ALA 79 Ca 0.54 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.45 1k8i h ALA 79 Cb 1.41 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1k8i h ALA 79 CO -0.50 -0.58 -0.23 1.15 0.00 0.00 0.00 179.25 179.08 1k8i h THR 80 N -0.59 0.38 -0.86 0.00 2.02 -0.29 0.77 112.91 114.34 1k8i h THR 80 Ca -0.04 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.32 1k8i h THR 80 Cb 0.27 0.38 -0.11 0.00 -1.74 0.00 0.00 68.15 66.95 1k8i h THR 80 CO 0.06 0.00 0.39 -0.74 0.37 0.00 0.00 175.52 175.60 1k8i h HIS 81 N -0.19 0.66 0.09 3.16 6.17 -0.51 -2.98 115.15 121.55 1k8i h HIS 81 Ca 0.17 0.04 -0.36 0.00 0.71 0.00 0.00 60.37 60.93 1k8i h HIS 81 Cb 0.46 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.20 1k8i h HIS 81 CO -0.44 0.05 -2.03 0.25 0.71 0.00 0.00 177.93 176.47 1k8i n THR 82 N -4.98 1.71 -0.12 6.26 -2.24 -0.62 -4.69 114.28 109.60 1k8i n THR 82 Ca 0.19 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 1k8i n THR 82 Cb 0.53 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 1k8i n THR 82 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1k8i n GLN 83 N -3.37 -0.12 0.03 -0.78 0.00 0.26 -1.41 117.38 111.98 1k8i n GLN 83 Ca -0.32 0.63 0.19 0.00 -0.00 0.00 0.00 57.00 57.50 1k8i n GLN 83 Cb 1.04 -0.94 0.42 0.00 0.00 0.00 0.00 30.24 30.76 1k8i n GLN 83 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1k8i h PRO 84 N 0.00 0.00 0.00 3.69 0.13 -1.84 -2.07 132.00 131.91 1k8i h PRO 84 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1k8i h PRO 84 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1k8i h PRO 84 CO -0.26 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 179.48 1k8i n PHE 85 N -3.10 0.00 -0.28 1.56 -1.74 -0.63 -4.85 117.46 108.43 1k8i n PHE 85 Ca 0.12 0.00 0.15 0.00 -0.56 0.00 0.00 57.45 57.16 1k8i n PHE 85 Cb 1.13 0.00 0.42 0.00 1.52 0.00 0.00 39.48 42.55 1k8i n PHE 85 CO 0.00 0.00 0.00 2.35 -0.56 0.00 0.00 176.76 178.55 1k8i h TRP 86 N 0.00 0.77 -0.06 2.97 2.91 -0.48 0.06 115.95 122.11 1k8i h TRP 86 Ca 0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1k8i h TRP 86 Cb 0.03 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 28.44 1k8i h TRP 86 CO 0.00 0.23 0.01 0.22 -1.03 0.00 0.00 178.44 177.87 1k8i h ASP 87 N 0.60 0.10 -0.10 2.65 3.58 -1.88 -1.63 116.42 119.74 1k8i h ASP 87 Ca 0.48 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.70 1k8i h ASP 87 Cb 0.92 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.88 1k8i h ASP 87 CO -0.23 0.35 -0.34 0.58 -2.88 0.00 0.00 179.24 176.72 1k8i h VAL 88 N -0.15 0.27 0.67 2.25 2.07 -1.37 -0.00 116.25 119.97 1k8i h VAL 88 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1k8i h VAL 88 Cb 0.29 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1k8i h VAL 88 CO 0.00 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.09 1k8i h LEU 89 N -0.43 -1.10 -2.54 2.57 3.38 -1.21 -0.30 115.31 115.69 1k8i h LEU 89 Ca 0.08 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1k8i h LEU 89 Cb 0.56 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1k8i h LEU 89 CO -0.34 -0.66 0.07 0.71 0.09 0.00 0.00 178.44 178.32 1k8i h THR 90 N -1.04 0.31 -0.68 0.22 1.35 -1.13 -2.84 112.91 109.11 1k8i h THR 90 Ca -0.08 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.30 1k8i h THR 90 Cb 0.85 0.94 -0.42 0.00 -1.73 0.00 0.00 68.15 67.78 1k8i h THR 90 CO 0.07 0.00 -0.89 1.41 -0.25 0.00 0.00 175.52 175.86 1k8i n HIS 91 N -3.53 2.41 -4.60 4.73 8.25 -0.03 -5.00 115.22 117.44 1k8i n HIS 91 Ca -0.02 -2.20 -0.33 0.00 -0.26 0.00 0.00 57.72 54.91 1k8i n HIS 91 Cb 0.16 -0.32 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 1k8i n HIS 91 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1k8i s ARG 92 N -3.65 3.39 -0.02 -0.41 3.52 -0.15 -4.87 118.95 116.77 1k8i s ARG 92 Ca 0.46 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 55.33 1k8i s ARG 92 Cb 0.39 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1k8i s ARG 92 CO 0.02 0.14 0.13 0.95 -0.81 0.00 0.00 175.30 175.73 1k8i s THR 93 N 0.54 0.05 -0.14 4.11 -4.23 -1.26 -4.59 115.64 110.13 1k8i s THR 93 Ca -0.08 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1k8i s THR 93 Cb -0.15 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.37 1k8i s THR 93 CO 0.04 -0.24 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.61 1k8i s ARG 94 N -0.82 2.17 0.40 3.99 1.81 -0.99 -4.95 118.95 120.56 1k8i s ARG 94 Ca -0.09 -0.51 -0.26 0.00 -1.72 0.00 0.00 55.73 53.15 1k8i s ARG 94 Cb -0.05 -1.99 -0.09 0.00 -0.45 0.00 0.00 34.95 32.37 1k8i s ARG 94 CO 0.01 -0.21 1.24 0.00 -0.68 0.00 0.00 175.30 175.65 1k8i s ALA 95 N 1.43 3.22 0.67 2.13 0.00 -1.26 -1.69 121.76 126.26 1k8i s ALA 95 Ca 0.03 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1k8i s ALA 95 Cb -0.13 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1k8i s ALA 95 CO -0.09 -0.68 1.05 -1.25 0.00 0.00 0.00 175.76 174.80 1k8i s PRO 96 N -2.23 3.06 -0.01 0.00 0.04 -1.26 -4.42 135.00 130.17 1k8i s PRO 96 Ca 0.57 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.64 1k8i s PRO 96 Cb -0.35 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1k8i s PRO 96 CO 0.44 -1.00 -0.25 0.45 0.04 0.00 0.00 177.00 176.68 1k8i s SER 97 N -3.73 3.12 0.08 6.66 0.15 0.09 -4.94 113.70 115.14 1k8i s SER 97 Ca 0.58 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.84 1k8i s SER 97 Cb -0.14 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 1k8i s SER 97 CO 0.53 0.31 -0.23 -0.69 1.20 0.00 0.00 173.24 174.36 1k8i s VAL 98 N -0.65 1.88 -0.20 4.45 1.01 -1.26 -1.37 120.40 124.27 1k8i s VAL 98 Ca 0.10 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 1k8i s VAL 98 Cb -0.10 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.70 1k8i s VAL 98 CO -0.00 0.12 0.46 -0.60 0.00 0.00 0.00 175.10 175.07 1k8i s ARG 99 N -1.61 0.42 -0.10 2.72 3.00 -0.84 -4.93 118.95 117.61 1k8i s ARG 99 Ca 0.09 0.94 -0.02 0.00 -1.00 0.00 0.00 55.73 55.74 1k8i s ARG 99 Cb -0.10 0.14 -0.03 0.00 0.00 0.00 0.00 34.95 34.96 1k8i s ARG 99 CO 0.03 -0.19 0.01 0.08 0.00 0.00 0.00 175.30 175.24 1k8i s VAL 100 N 1.85 4.36 0.29 7.11 1.01 -1.26 -0.42 120.40 133.34 1k8i s VAL 100 Ca -0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1k8i s VAL 100 Cb -0.09 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1k8i s VAL 100 CO -0.14 0.59 0.58 0.00 0.00 0.00 0.00 175.10 176.14 1k8i s ALA 101 N -0.75 -0.42 -0.04 5.51 0.00 -0.96 -5.01 121.76 120.09 1k8i s ALA 101 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1k8i s ALA 101 Cb -0.12 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1k8i s ALA 101 CO 0.02 -0.91 0.02 -1.14 0.00 0.00 0.00 175.76 173.75 1k8i s GLN 102 N -3.62 2.93 0.08 0.00 0.74 -1.26 -0.38 119.66 118.15 1k8i s GLN 102 Ca 0.20 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1k8i s GLN 102 Cb -0.03 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1k8i s GLN 102 CO 0.10 0.67 -0.07 0.99 -0.55 0.00 0.00 175.29 176.43 1k8i s THR 103 N -1.02 0.65 -0.08 -0.34 2.01 -0.13 -4.91 115.64 111.81 1k8i s THR 103 Ca 0.17 -1.74 -0.39 0.00 0.31 0.00 0.00 61.69 60.04 1k8i s THR 103 Cb -0.12 -1.43 -0.17 0.00 0.01 0.00 0.00 72.50 70.79 1k8i s THR 103 CO 0.07 -0.77 1.43 0.41 -0.69 0.00 0.00 174.62 175.08 1k8i n THR 104 N 0.30 0.09 -1.66 -0.82 -1.04 -1.26 -3.98 114.28 105.91 1k8i n THR 104 Ca -0.15 -0.02 -0.54 0.00 -2.04 0.00 0.00 64.05 61.31 1k8i n THR 104 Cb 0.59 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 68.27 1k8i n THR 104 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1k8i n PRO 105 N 3.29 1.26 0.00 -2.82 -0.02 -1.26 -4.95 135.00 130.50 1k8i n PRO 105 Ca 0.22 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1k8i n PRO 105 Cb 0.13 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1k8i n PRO 105 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1k8i n PHE 106 N 4.16 0.00 -3.04 6.00 3.01 -1.26 -4.97 117.46 121.35 1k8i n PHE 106 Ca 0.22 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.31 1k8i n PHE 106 Cb 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 1k8i n PHE 106 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1k8i s ASN 107 N -1.00 7.19 0.00 4.37 3.84 -1.26 -4.94 114.94 123.14 1k8i s ASN 107 Ca 0.00 1.52 0.00 0.00 0.21 0.00 0.00 52.86 54.59 1k8i s ASN 107 Cb 0.00 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1k8i s ASN 107 CO 0.00 0.10 0.00 0.41 -2.79 0.00 0.00 177.10 174.82 1k8i n THR 108 N 1.06 0.00 0.91 -5.21 -1.04 -1.26 -4.93 114.28 103.81 1k8i n THR 108 Ca -0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1k8i n THR 108 Cb 0.50 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.15 1k8i n THR 108 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1k8i n ARG 109 N 1.85 0.06 -1.56 -2.82 1.85 -1.26 -4.98 116.66 109.80 1k8i n ARG 109 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 1k8i n ARG 109 Cb 0.00 -1.52 -0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1k8i n ARG 109 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1k8i n GLU 110 N -1.60 1.10 0.01 2.89 -0.58 -1.26 -4.87 120.64 116.33 1k8i n GLU 110 Ca 0.05 0.39 0.08 0.00 -0.42 0.00 0.00 57.16 57.26 1k8i n GLU 110 Cb 0.35 -1.79 0.37 0.00 -0.57 0.00 0.00 31.44 29.80 1k8i n GLU 110 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1k8i n PRO 111 N 0.49 0.02 -3.87 3.49 -0.04 -1.25 -4.75 135.00 129.09 1k8i n PRO 111 Ca 0.10 0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 1k8i n PRO 111 Cb 0.36 -1.53 -0.16 0.00 -0.04 0.00 0.00 33.50 32.13 1k8i n PRO 111 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k8i s VAL 112 N -3.03 0.07 -0.18 0.52 1.01 -1.16 -4.97 120.40 112.66 1k8i s VAL 112 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1k8i s VAL 112 Cb 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.37 1k8i s VAL 112 CO 0.32 0.09 -0.13 -0.32 0.00 0.00 0.00 175.10 175.06 1k8i s MET 113 N 0.75 2.27 0.13 2.72 1.75 -1.26 -0.94 119.30 124.72 1k8i s MET 113 Ca -0.07 -0.79 -0.14 0.00 -1.25 0.00 0.00 55.69 53.45 1k8i s MET 113 Cb -0.10 -2.37 -0.07 0.00 2.84 0.00 0.00 34.83 35.13 1k8i s MET 113 CO -0.02 -0.34 0.52 -0.51 -0.65 0.00 0.00 175.02 174.02 1k8i s LEU 114 N 1.39 4.36 -0.11 4.11 1.43 0.12 -0.95 118.68 129.02 1k8i s LEU 114 Ca 0.01 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1k8i s LEU 114 Cb -0.15 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.92 1k8i s LEU 114 CO -0.10 0.13 -0.10 0.00 0.23 0.00 0.00 176.35 176.52 1k8i s ALA 115 N -1.41 1.42 -0.34 4.21 0.00 0.48 -0.90 121.76 125.22 1k8i s ALA 115 Ca 0.36 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1k8i s ALA 115 Cb -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1k8i s ALA 115 CO 0.19 -0.32 0.38 0.00 0.00 0.00 0.00 175.76 176.00 1k8i s TYR 117 N 2.05 3.17 -0.19 0.00 4.12 0.44 -1.70 117.35 125.24 1k8i s TYR 117 Ca 0.12 -0.62 -0.06 0.00 0.02 0.00 0.00 57.07 56.53 1k8i s TYR 117 Cb -0.16 -3.11 -0.03 0.00 -1.52 0.00 0.00 41.96 37.14 1k8i s TYR 117 CO 0.12 -0.80 0.02 0.08 0.02 0.00 0.00 175.55 174.98 1k8i s VAL 118 N 2.04 4.20 0.21 0.71 1.01 -0.91 -1.98 120.40 125.67 1k8i s VAL 118 Ca 0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1k8i s VAL 118 Cb -0.20 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1k8i s VAL 118 CO 0.10 0.43 0.39 -1.66 0.00 0.00 0.00 175.10 174.36 1k8i s TRP 119 N 0.82 0.37 -0.84 5.22 -2.14 -0.47 -1.05 118.94 120.84 1k8i s TRP 119 Ca 0.01 -0.72 0.00 0.00 2.66 0.00 0.00 56.10 58.06 1k8i s TRP 119 Cb -0.14 0.07 0.00 0.00 -3.10 0.00 0.00 33.47 30.30 1k8i s TRP 119 CO 0.02 -0.86 0.00 0.41 -2.66 0.00 0.00 176.95 173.86 1k8i n GLY 120 N -0.31 0.17 3.67 3.67 0.00 -0.25 -0.73 105.19 111.42 1k8i n GLY 120 Ca -0.05 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1k8i n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k8i s PHE 121 N -2.45 2.72 -0.20 1.61 -0.71 -0.97 -4.51 117.98 113.46 1k8i s PHE 121 Ca 0.00 -0.26 -0.15 0.00 -1.04 0.00 0.00 56.93 55.49 1k8i s PHE 121 Cb 0.00 -1.31 0.06 0.00 -1.21 0.00 0.00 43.02 40.56 1k8i s PHE 121 CO 0.00 0.55 0.50 -0.47 -1.34 0.00 0.00 175.22 174.47 1k8i s TYR 122 N -2.34 -0.65 0.00 3.49 6.14 -0.68 -0.39 117.35 122.91 1k8i s TYR 122 Ca 0.33 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.50 1k8i s TYR 122 Cb -0.05 0.28 0.00 0.00 0.42 0.00 0.00 41.96 42.61 1k8i s TYR 122 CO 0.21 -0.33 0.00 -0.35 0.64 0.00 0.00 175.55 175.72 1k8i n PRO 123 N 3.50 -0.65 0.26 4.97 -0.04 -1.26 -2.34 135.00 139.44 1k8i n PRO 123 Ca -0.18 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1k8i n PRO 123 Cb 0.56 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.58 1k8i n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k8i h ALA 124 N -2.00 1.00 -2.38 0.55 0.00 -1.97 -3.45 119.26 111.01 1k8i h ALA 124 Ca 0.00 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1k8i h ALA 124 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1k8i h ALA 124 CO 0.00 0.03 1.13 0.34 0.00 0.00 0.00 179.25 180.74 1k8i s ASP 125 N -5.85 6.53 -0.10 0.00 2.15 -1.26 -4.79 116.67 113.35 1k8i s ASP 125 Ca 0.02 2.54 -0.30 0.00 0.43 0.00 0.00 52.55 55.24 1k8i s ASP 125 Cb 0.08 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 1k8i s ASP 125 CO 0.58 -0.98 0.81 0.54 -0.17 0.00 0.00 175.17 175.95 1k8i s VAL 126 N 3.66 0.00 -0.07 1.11 0.11 -1.26 -3.30 120.40 120.65 1k8i s VAL 126 Ca 0.80 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 1k8i s VAL 126 Cb -0.40 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1k8i s VAL 126 CO 0.36 0.00 -0.13 0.42 -3.33 0.00 0.00 175.10 172.42 1k8i s THR 127 N -1.07 1.20 -0.10 5.04 -4.23 -0.52 -5.01 115.64 110.94 1k8i s THR 127 Ca -0.07 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1k8i s THR 127 Cb -0.00 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 1k8i s THR 127 CO 0.06 0.37 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.73 1k8i s ILE 128 N 0.75 2.92 0.03 2.99 1.01 -1.26 -1.40 121.20 126.23 1k8i s ILE 128 Ca -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1k8i s ILE 128 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 1k8i s ILE 128 CO 0.03 0.55 -0.06 0.42 0.00 0.00 0.00 174.94 175.88 1k8i s THR 129 N 0.02 0.40 0.24 2.92 -4.23 0.40 -4.98 115.64 110.41 1k8i s THR 129 Ca -0.05 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.68 1k8i s THR 129 Cb -0.14 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1k8i s THR 129 CO 0.04 -0.31 0.17 0.26 -0.54 0.00 0.00 174.62 174.25 1k8i s TRP 130 N -1.13 3.08 -0.07 3.99 0.52 -1.26 0.35 118.94 124.43 1k8i s TRP 130 Ca -0.09 -0.11 -0.03 0.00 0.02 0.00 0.00 56.10 55.89 1k8i s TRP 130 Cb -0.08 -1.40 0.04 0.00 -1.15 0.00 0.00 33.47 30.88 1k8i s TRP 130 CO -0.00 0.53 0.14 -1.64 0.02 0.00 0.00 176.95 176.00 1k8i s MET 131 N -3.75 0.05 -0.44 4.98 -1.94 0.86 -2.56 119.30 116.50 1k8i s MET 131 Ca 0.32 0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 54.62 1k8i s MET 131 Cb -0.08 -0.24 0.08 0.00 2.01 0.00 0.00 34.83 36.60 1k8i s MET 131 CO 0.24 -0.23 0.31 0.21 -0.01 0.00 0.00 175.02 175.54 1k8i s LYS 132 N 1.63 2.69 -1.22 2.03 2.20 0.17 -0.64 119.74 126.60 1k8i s LYS 132 Ca -0.04 -1.47 -0.01 0.00 -0.36 0.00 0.00 55.97 54.09 1k8i s LYS 132 Cb -0.12 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1k8i s LYS 132 CO -0.05 -1.01 1.03 0.09 -0.36 0.00 0.00 175.35 175.05 1k8i n ASN 133 N 4.99 -2.73 0.00 1.43 5.03 0.64 -1.73 115.26 122.89 1k8i n ASN 133 Ca -0.11 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1k8i n ASN 133 Cb 0.43 -5.11 0.00 0.00 -1.02 0.00 0.00 39.78 34.07 1k8i n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k8i n GLY 134 N -1.27 0.81 3.67 7.41 0.00 -1.26 -4.99 105.19 109.55 1k8i n GLY 134 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1k8i n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k8i s GLN 135 N -0.20 3.79 0.33 1.61 -1.52 -0.70 -5.05 119.66 117.91 1k8i s GLN 135 Ca 0.00 -0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 52.80 1k8i s GLN 135 Cb 0.00 -3.16 -0.10 0.00 -0.22 0.00 0.00 33.01 29.53 1k8i s GLN 135 CO 0.00 0.39 1.38 -0.51 -0.25 0.00 0.00 175.29 176.29 1k8i s LEU 136 N 0.05 4.39 -0.25 2.90 1.43 -1.26 0.42 118.68 126.35 1k8i s LEU 136 Ca 0.06 2.79 0.01 0.00 -1.03 0.00 0.00 54.13 55.96 1k8i s LEU 136 Cb -0.12 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1k8i s LEU 136 CO 0.01 -0.65 -0.10 -0.69 0.23 0.00 0.00 176.35 175.14 1k8i s VAL 137 N -0.97 2.37 1.01 -1.59 1.01 -1.06 -4.82 120.40 116.36 1k8i s VAL 137 Ca 0.52 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1k8i s VAL 137 Cb -0.42 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 33.80 1k8i s VAL 137 CO 0.54 0.08 0.78 -2.65 0.00 0.00 0.00 175.10 173.86 1k8i n PRO 138 N 4.52 -1.02 -2.54 2.72 -0.02 -1.26 -4.59 135.00 132.82 1k8i n PRO 138 Ca -0.15 -0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 60.65 1k8i n PRO 138 Cb 0.44 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1k8i n PRO 138 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1k8i s SER 139 N -2.32 7.18 -0.29 2.55 0.15 -1.26 -4.94 113.70 114.76 1k8i s SER 139 Ca 0.63 1.84 0.02 0.00 0.70 0.00 0.00 55.95 59.14 1k8i s SER 139 Cb -0.22 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 61.72 1k8i s SER 139 CO 0.63 -0.41 0.70 -2.28 1.20 0.00 0.00 173.24 173.07 1k8i s HIS 140 N 1.26 -1.54 0.00 3.44 5.04 -1.26 -4.84 115.29 117.39 1k8i s HIS 140 Ca 0.55 0.92 0.00 0.00 -1.54 0.00 0.00 55.06 54.99 1k8i s HIS 140 Cb -0.25 0.27 0.00 0.00 0.04 0.00 0.00 32.58 32.64 1k8i s HIS 140 CO 0.27 -0.90 0.00 0.43 -2.34 0.00 0.00 174.74 172.20 1k8i n SER 141 N 5.35 -2.96 -4.55 9.88 7.64 -1.26 -4.75 113.62 122.97 1k8i n SER 141 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 1k8i n SER 141 Cb 0.55 -1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1k8i n SER 141 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1k8i s ASN 142 N -2.16 6.62 -0.17 6.43 -0.87 -1.26 -4.59 114.94 118.94 1k8i s ASN 142 Ca 0.00 -1.81 -0.01 0.00 -1.57 0.00 0.00 52.86 49.47 1k8i s ASN 142 Cb 0.00 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1k8i s ASN 142 CO 0.00 -1.34 -0.13 -0.54 -2.57 0.00 0.00 177.10 172.52 1k8i s LYS 143 N 4.36 3.26 0.00 -0.60 -0.14 -1.26 -4.96 119.74 120.41 1k8i s LYS 143 Ca 0.46 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 54.35 1k8i s LYS 143 Cb 0.00 -2.72 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 1k8i s LYS 143 CO -0.06 -0.04 0.00 0.39 -0.76 0.00 0.00 175.35 174.88 1k8i n GLU 144 N 4.25 0.00 -0.49 1.68 4.71 -1.26 -3.37 120.64 126.16 1k8i n GLU 144 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 1k8i n GLU 144 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1k8i n GLU 144 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1k8i n LYS 145 N 0.00 0.00 -3.51 3.49 4.81 -1.26 -4.79 118.16 116.90 1k8i n LYS 145 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1k8i n LYS 145 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1k8i n LYS 145 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1k8i s THR 146 N -3.85 0.39 0.00 3.15 2.01 -1.26 -5.04 115.64 111.04 1k8i s THR 146 Ca 0.00 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.14 1k8i s THR 146 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1k8i s THR 146 CO 0.00 -0.97 0.00 0.00 -0.69 0.00 0.00 174.62 172.96 1k8i n ALA 147 N 3.96 -0.49 -2.17 7.40 0.00 -1.26 -4.79 120.51 123.16 1k8i n ALA 147 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1k8i n ALA 147 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1k8i n ALA 147 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1k8i s GLN 148 N 0.00 4.32 0.48 0.00 2.00 0.94 -4.78 119.66 122.62 1k8i s GLN 148 Ca 0.00 2.07 -0.19 0.00 -2.00 0.00 0.00 55.36 55.24 1k8i s GLN 148 Cb 0.00 -3.25 -0.09 0.00 0.80 0.00 0.00 33.01 30.47 1k8i s GLN 148 CO 0.00 -0.43 1.00 -1.25 -0.50 0.00 0.00 175.29 174.11 1k8i s PRO 149 N 1.08 3.93 -0.00 1.67 0.04 -1.26 -1.96 135.00 138.50 1k8i s PRO 149 Ca 0.64 1.19 0.14 0.00 0.04 0.00 0.00 61.00 63.01 1k8i s PRO 149 Cb -0.37 -2.13 -0.17 0.00 0.04 0.00 0.00 34.50 31.88 1k8i s PRO 149 CO 0.30 -0.29 0.51 0.09 0.04 0.00 0.00 177.00 177.65 1k8i n ASN 150 N -1.05 0.93 0.00 6.66 3.02 -0.44 -4.93 115.26 119.44 1k8i n ASN 150 Ca 0.08 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1k8i n ASN 150 Cb 0.53 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.86 1k8i n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k8i n GLY 151 N 1.42 2.76 0.00 7.41 0.00 -1.26 -4.70 105.19 110.82 1k8i n GLY 151 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1k8i n GLY 151 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k8i n ASP 152 N 0.03 0.00 -1.23 1.61 -0.08 -1.26 -4.79 116.55 110.83 1k8i n ASP 152 Ca 0.00 -1.45 -0.13 0.00 -1.51 0.00 0.00 54.79 51.71 1k8i n ASP 152 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1k8i n ASP 152 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1k8i n TRP 153 N -0.61 -0.32 -4.29 -0.67 7.02 -1.26 -5.00 117.44 112.30 1k8i n TRP 153 Ca 0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.37 1k8i n TRP 153 Cb 0.02 -2.58 -0.10 0.00 -2.42 0.00 0.00 31.31 26.23 1k8i n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1k8i s THR 154 N -2.56 0.82 0.18 -0.99 -4.23 -1.26 -4.73 115.64 102.86 1k8i s THR 154 Ca 0.00 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1k8i s THR 154 Cb 0.00 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1k8i s THR 154 CO 0.00 -0.36 0.05 -0.31 -0.54 0.00 0.00 174.62 173.46 1k8i s TYR 155 N -3.57 1.15 0.15 3.99 1.51 0.47 -1.33 117.35 119.73 1k8i s TYR 155 Ca 0.27 -1.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.00 1k8i s TYR 155 Cb 0.06 -0.65 0.05 0.00 -0.11 0.00 0.00 41.96 41.31 1k8i s TYR 155 CO 0.07 -0.37 0.50 1.14 -1.11 0.00 0.00 175.55 175.78 1k8i s GLN 156 N -4.00 1.21 0.26 -0.62 -2.07 -0.83 -1.09 119.66 112.52 1k8i s GLN 156 Ca 0.28 -0.65 -0.20 0.00 -1.82 0.00 0.00 55.36 52.96 1k8i s GLN 156 Cb 0.07 0.52 0.06 0.00 -1.09 0.00 0.00 33.01 32.57 1k8i s GLN 156 CO 0.06 -0.50 0.92 -0.08 -1.32 0.00 0.00 175.29 174.36 1k8i s THR 157 N -3.80 0.00 -0.02 3.63 -1.32 -0.22 -0.04 115.64 113.87 1k8i s THR 157 Ca 0.03 -0.78 -0.10 0.00 -1.21 0.00 0.00 61.69 59.64 1k8i s THR 157 Cb 0.00 -2.72 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1k8i s THR 157 CO -0.11 0.00 0.21 0.54 -2.21 0.00 0.00 174.62 173.05 1k8i s VAL 158 N -2.47 0.06 -0.05 5.08 0.11 -1.26 -2.14 120.40 119.73 1k8i s VAL 158 Ca 0.18 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1k8i s VAL 158 Cb -0.04 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1k8i s VAL 158 CO 0.07 -0.27 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.85 1k8i s SER 159 N -1.06 2.29 0.12 3.54 0.15 -0.69 -4.26 113.70 113.80 1k8i s SER 159 Ca -0.11 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.21 1k8i s SER 159 Cb -0.06 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1k8i s SER 159 CO 0.02 0.15 -0.01 -0.31 1.20 0.00 0.00 173.24 174.29 1k8i s TYR 160 N 0.14 2.92 -0.21 3.44 1.51 -1.22 0.04 117.35 123.96 1k8i s TYR 160 Ca -0.07 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1k8i s TYR 160 Cb -0.13 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.34 1k8i s TYR 160 CO 0.03 0.48 0.44 -1.17 -1.11 0.00 0.00 175.55 174.22 1k8i s LEU 161 N -2.48 -0.70 0.21 -1.29 2.96 -0.07 -4.06 118.68 113.24 1k8i s LEU 161 Ca 0.26 0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 55.00 1k8i s LEU 161 Cb -0.11 1.43 -0.08 0.00 0.50 0.00 0.00 46.19 47.94 1k8i s LEU 161 CO 0.18 -0.24 0.62 0.00 -1.32 0.00 0.00 176.35 175.59 1k8i s ALA 162 N 2.64 3.49 0.38 5.97 0.00 -1.26 0.15 121.76 133.13 1k8i s ALA 162 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.74 1k8i s ALA 162 Cb -0.12 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.43 1k8i s ALA 162 CO -0.14 0.41 0.78 -0.48 0.00 0.00 0.00 175.76 176.33 1k8i s LEU 163 N -2.27 0.02 -0.16 0.00 0.05 -0.12 -4.96 118.68 111.24 1k8i s LEU 163 Ca 0.43 -1.13 0.00 0.00 0.05 0.00 0.00 54.13 53.49 1k8i s LEU 163 Cb -0.14 2.80 0.03 0.00 -2.05 0.00 0.00 46.19 46.83 1k8i s LEU 163 CO 0.20 -1.66 -0.13 -0.89 -0.55 0.00 0.00 176.35 173.32 1k8i s THR 164 N -2.42 1.55 -0.17 5.48 2.01 -1.26 -2.99 115.64 117.84 1k8i s THR 164 Ca 0.16 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1k8i s THR 164 Cb -0.05 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1k8i s THR 164 CO 0.11 0.38 1.81 -2.16 -0.69 0.00 0.00 174.62 174.07 1k8i s PRO 165 N 1.48 3.72 -0.18 4.92 0.04 -1.26 -4.99 135.00 138.73 1k8i s PRO 165 Ca 0.03 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1k8i s PRO 165 Cb -0.14 -4.13 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1k8i s PRO 165 CO -0.10 -1.40 -0.01 -1.12 0.04 0.00 0.00 177.00 174.41 1k8i s SER 166 N 5.12 2.86 0.27 6.66 0.01 -1.26 -5.10 113.70 122.26 1k8i s SER 166 Ca 0.81 -0.73 -0.28 0.00 1.31 0.00 0.00 55.95 57.05 1k8i s SER 166 Cb -0.30 -0.75 -0.14 0.00 0.21 0.00 0.00 66.02 65.04 1k8i s SER 166 CO 0.33 -0.25 1.00 -1.22 0.41 0.00 0.00 173.24 173.51 1k8i n TYR 167 N 4.96 1.19 0.00 2.43 4.02 -1.26 -1.33 117.16 127.16 1k8i n TYR 167 Ca -0.10 0.71 0.00 0.00 -0.01 0.00 0.00 57.90 58.50 1k8i n TYR 167 Cb 0.47 -2.24 0.00 0.00 -0.02 0.00 0.00 39.34 37.55 1k8i n TYR 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k8i n GLY 168 N 1.34 0.35 3.81 2.72 0.00 -1.26 -5.05 105.19 107.10 1k8i n GLY 168 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1k8i n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k8i s ASP 169 N -1.94 7.03 -0.06 1.61 -0.00 -0.44 -5.00 116.67 117.86 1k8i s ASP 169 Ca 0.00 1.22 -0.00 0.00 -0.00 0.00 0.00 52.55 53.77 1k8i s ASP 169 Cb 0.00 -2.35 0.02 0.00 -0.00 0.00 0.00 42.92 40.60 1k8i s ASP 169 CO 0.00 0.27 -0.03 0.54 -0.00 0.00 0.00 175.17 175.95 1k8i s VAL 170 N -1.05 0.52 -0.10 -1.27 0.11 -1.26 -4.09 120.40 113.26 1k8i s VAL 170 Ca 0.28 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.28 1k8i s VAL 170 Cb -0.19 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1k8i s VAL 170 CO 0.18 0.25 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.85 1k8i s TYR 171 N 1.42 3.01 -0.01 1.54 1.51 0.77 -0.26 117.35 125.32 1k8i s TYR 171 Ca -0.03 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1k8i s TYR 171 Cb -0.13 -1.80 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1k8i s TYR 171 CO -0.03 0.25 -0.08 0.99 -1.11 0.00 0.00 175.55 175.57 1k8i s THR 172 N -0.47 0.69 -0.23 -0.71 2.01 0.19 0.16 115.64 117.28 1k8i s THR 172 Ca 0.07 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1k8i s THR 172 Cb -0.12 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1k8i s THR 172 CO 0.02 0.21 0.09 0.00 -0.69 0.00 0.00 174.62 174.24 1k8i s VAL 174 N 1.22 4.22 -0.09 0.00 1.01 0.16 -2.48 120.40 124.44 1k8i s VAL 174 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1k8i s VAL 174 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1k8i s VAL 174 CO 0.04 0.49 -0.09 0.54 0.00 0.00 0.00 175.10 176.08 1k8i s VAL 175 N 0.29 1.01 -0.23 2.92 0.11 -0.22 -0.45 120.40 123.83 1k8i s VAL 175 Ca -0.01 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1k8i s VAL 175 Cb -0.13 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1k8i s VAL 175 CO 0.02 0.35 -0.04 -1.10 -3.33 0.00 0.00 175.10 171.00 1k8i s GLN 176 N 1.33 3.27 -0.11 1.54 -0.21 -0.49 -0.90 119.66 124.09 1k8i s GLN 176 Ca -0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.64 1k8i s GLN 176 Cb -0.14 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 1k8i s GLN 176 CO -0.04 -0.24 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.27 1k8i s HIS 177 N 1.46 3.04 -1.59 0.91 5.65 -1.26 -1.44 115.29 122.07 1k8i s HIS 177 Ca 0.05 -0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.30 1k8i s HIS 177 Cb -0.15 -1.84 0.03 0.00 -1.18 0.00 0.00 32.58 29.44 1k8i s HIS 177 CO -0.03 0.22 0.73 -1.13 -0.65 0.00 0.00 174.74 173.88 1k8i n SER 178 N 2.77 0.00 -0.83 9.88 3.41 -1.21 -0.84 113.62 126.79 1k8i n SER 178 Ca -0.18 0.20 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 1k8i n SER 178 Cb 0.53 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.40 1k8i n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k8i n GLY 179 N -1.16 1.00 3.36 5.00 0.00 -1.26 -4.93 105.19 107.20 1k8i n GLY 179 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 1k8i n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8i s THR 180 N -1.42 -0.31 0.24 2.61 2.01 -0.02 -4.85 115.64 113.90 1k8i s THR 180 Ca 0.26 0.10 0.17 0.00 0.31 0.00 0.00 61.69 62.53 1k8i s THR 180 Cb 0.17 -0.72 0.11 0.00 0.01 0.00 0.00 72.50 72.06 1k8i s THR 180 CO 0.24 0.04 1.75 0.77 -0.69 0.00 0.00 174.62 176.73 1k8i h SER 181 N 7.52 0.00 -2.75 3.53 4.64 -1.92 -3.36 113.55 121.22 1k8i h SER 181 Ca -0.27 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.50 1k8i h SER 181 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1k8i h SER 181 CO 0.20 0.40 1.11 -1.61 -0.87 0.00 0.00 176.83 176.06 1k8i s GLU 182 N -3.75 3.26 0.35 4.77 0.41 -1.26 -4.98 118.70 117.50 1k8i s GLU 182 Ca -0.01 0.40 -0.28 0.00 -0.41 0.00 0.00 54.97 54.67 1k8i s GLU 182 Cb 0.12 -4.14 -0.11 0.00 -1.78 0.00 0.00 34.13 28.22 1k8i s GLU 182 CO 0.70 -1.99 1.41 -2.14 -0.49 0.00 0.00 175.26 172.75 1k8i s PRO 183 N 5.59 4.22 0.17 0.39 0.02 -1.26 -4.86 135.00 139.27 1k8i s PRO 183 Ca 0.51 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.94 1k8i s PRO 183 Cb -0.11 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1k8i s PRO 183 CO 0.24 -0.39 0.35 0.42 -0.33 0.00 0.00 177.00 177.30 1k8i s ILE 184 N -1.07 5.24 0.07 2.83 -1.09 -0.08 -4.93 121.20 122.16 1k8i s ILE 184 Ca 0.52 -0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 58.47 1k8i s ILE 184 Cb -0.44 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1k8i s ILE 184 CO 0.58 -0.11 0.16 0.00 -1.23 0.00 0.00 174.94 174.33 1k8i s ARG 185 N -3.18 0.76 -0.19 2.79 1.70 -1.26 -1.06 118.95 118.51 1k8i s ARG 185 Ca 0.38 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.66 1k8i s ARG 185 Cb -0.11 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1k8i s ARG 185 CO 0.28 -0.22 0.43 0.20 -1.08 0.00 0.00 175.30 174.91 1k8i s GLY 186 N -2.62 -0.36 0.27 3.88 0.00 -1.03 -4.95 107.32 102.51 1k8i s GLY 186 Ca 0.02 1.55 0.06 0.00 0.00 0.00 0.00 44.72 46.35 1k8i s GLY 186 CO -0.09 2.15 0.32 0.99 0.00 0.00 0.00 173.10 176.47 1k8i s ASP 187 N 2.13 5.87 -0.15 1.64 1.01 -1.26 -1.15 116.67 124.76 1k8i s ASP 187 Ca -0.05 -0.15 -0.07 0.00 0.71 0.00 0.00 52.55 52.99 1k8i s ASP 187 Cb -0.10 -1.49 0.07 0.00 1.01 0.00 0.00 42.92 42.40 1k8i s ASP 187 CO -0.13 -0.16 0.35 0.86 0.21 0.00 0.00 175.17 176.30 1k8i s TRP 188 N -2.10 -0.56 0.16 4.23 -0.00 0.43 -4.87 118.94 116.24 1k8i s TRP 188 Ca 0.36 1.17 0.09 0.00 -0.00 0.00 0.00 56.10 57.73 1k8i s TRP 188 Cb -0.08 0.17 -0.04 0.00 -0.00 0.00 0.00 33.47 33.51 1k8i s TRP 188 CO 0.28 -0.36 -0.21 0.95 -0.00 0.00 0.00 176.95 177.61 1k8i s THR 189 N 1.88 1.98 -2.00 5.86 -4.23 -1.26 -0.17 115.64 117.70 1k8i s THR 189 Ca -0.05 -1.88 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1k8i s THR 189 Cb -0.10 -1.88 0.40 0.00 1.34 0.00 0.00 72.50 72.26 1k8i s THR 189 CO -0.11 -0.19 1.27 -2.65 -0.54 0.00 0.00 174.62 172.40