#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkr s LEU 9 N 0.00 3.76 -0.06 1.20 0.20 -1.26 -2.15 118.68 120.37 1dkr s LEU 9 Ca 0.00 -0.00 0.04 0.00 0.69 0.00 0.00 54.13 54.86 1dkr s LEU 9 Cb 0.00 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1dkr s LEU 9 CO 0.00 0.09 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.43 1dkr s LYS 10 N 0.86 2.03 -0.13 1.98 1.02 -0.66 -5.00 119.74 119.85 1dkr s LYS 10 Ca 0.04 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.39 1dkr s LYS 10 Cb -0.14 -1.70 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1dkr s LYS 10 CO 0.03 0.22 -0.16 0.42 -0.92 0.00 0.00 175.35 174.94 1dkr s ILE 11 N 0.14 2.78 0.22 2.17 1.01 -1.26 -0.76 121.20 125.50 1dkr s ILE 11 Ca -0.07 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.92 1dkr s ILE 11 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1dkr s ILE 11 CO 0.03 0.53 -0.12 -0.36 0.00 0.00 0.00 174.94 175.03 1dkr s PHE 12 N 0.41 2.54 0.08 3.97 0.40 -0.03 0.69 117.98 126.04 1dkr s PHE 12 Ca -0.12 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1dkr s PHE 12 Cb -0.16 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1dkr s PHE 12 CO 0.06 0.57 -0.18 0.45 0.70 0.00 0.00 175.22 176.82 1dkr s SER 13 N -3.09 2.11 0.00 1.36 0.15 -1.26 -1.17 113.70 111.79 1dkr s SER 13 Ca 0.26 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1dkr s SER 13 Cb -0.08 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1dkr s SER 13 CO 0.15 0.01 0.00 0.18 1.20 0.00 0.00 173.24 174.78 1dkr n LEU 14 N 1.29 0.00 0.12 3.45 4.77 -1.18 -4.95 117.00 120.50 1dkr n LEU 14 Ca -0.20 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1dkr n LEU 14 Cb 0.54 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.05 1dkr n LEU 14 CO 0.22 -0.01 0.88 0.78 -1.33 0.00 0.00 177.39 177.93 1dkr h ASN 15 N 0.00 0.00 0.28 -1.43 2.35 -1.97 -3.39 115.58 111.42 1dkr h ASN 15 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1dkr h ASN 15 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1dkr h ASN 15 CO 0.00 0.00 -0.16 0.77 -1.65 0.00 0.00 177.43 176.39 1dkr h SER 16 N 0.00 -0.40 -1.44 5.81 4.64 -1.89 -3.38 113.55 116.88 1dkr h SER 16 Ca 0.00 0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.88 1dkr h SER 16 Cb 0.65 0.12 -0.32 0.00 -0.31 0.00 0.00 62.40 62.54 1dkr h SER 16 CO 0.00 -0.27 -0.94 -3.20 -0.87 0.00 0.00 176.83 171.56 1dkr n ASN 17 N -5.29 -0.68 -0.28 4.97 2.85 -1.26 -4.51 115.26 111.07 1dkr n ASN 17 Ca -0.09 -2.87 0.12 0.00 -0.11 0.00 0.00 54.58 51.62 1dkr n ASN 17 Cb 0.20 0.06 0.37 0.00 1.24 0.00 0.00 39.78 41.65 1dkr n ASN 17 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1dkr h PRO 18 N 3.97 0.69 -0.52 1.20 0.13 -1.76 -2.41 132.00 133.30 1dkr h PRO 18 Ca 0.01 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1dkr h PRO 18 Cb 0.92 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1dkr h PRO 18 CO 0.42 0.45 -0.07 0.93 -0.23 0.00 0.00 178.00 179.51 1dkr h GLU 19 N 0.71 0.97 -0.22 0.86 5.08 -1.96 -1.25 114.58 118.77 1dkr h GLU 19 Ca 0.46 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1dkr h GLU 19 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1dkr h GLU 19 CO -0.22 1.01 0.11 1.25 -1.00 0.00 0.00 179.01 180.16 1dkr h LEU 20 N 0.84 0.29 -0.78 1.33 5.85 -1.79 -1.33 115.31 119.72 1dkr h LEU 20 Ca 0.14 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1dkr h LEU 20 Cb 0.62 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1dkr h LEU 20 CO 0.04 0.33 0.41 0.00 -0.34 0.00 0.00 178.44 178.88 1dkr h ALA 21 N 0.97 1.12 -0.21 1.25 0.00 -1.26 -0.76 119.26 120.37 1dkr h ALA 21 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dkr h ALA 21 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dkr h ALA 21 CO -0.01 -0.02 0.02 -0.22 0.00 0.00 0.00 179.25 179.02 1dkr h LYS 22 N 0.66 0.36 -0.39 0.00 1.63 -1.00 -0.62 116.57 117.22 1dkr h LYS 22 Ca 0.39 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 60.14 1dkr h LYS 22 Cb 0.44 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1dkr h LYS 22 CO -0.29 0.53 0.12 1.49 -3.45 0.00 0.00 179.45 177.85 1dkr h GLU 23 N 0.14 0.27 -0.28 1.90 4.81 -0.61 0.04 114.58 120.84 1dkr h GLU 23 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1dkr h GLU 23 Cb 0.36 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1dkr h GLU 23 CO 0.01 0.18 0.19 0.82 -0.73 0.00 0.00 179.01 179.47 1dkr h ILE 24 N 0.27 1.08 -0.78 2.32 2.04 -1.02 -2.01 117.51 119.41 1dkr h ILE 24 Ca 0.18 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1dkr h ILE 24 Cb 0.18 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1dkr h ILE 24 CO -0.20 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.53 1dkr h ALA 25 N 1.10 1.03 -0.31 1.87 0.00 -0.40 -1.41 119.26 121.13 1dkr h ALA 25 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dkr h ALA 25 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1dkr h ALA 25 CO -0.02 0.31 0.18 -0.44 0.00 0.00 0.00 179.25 179.28 1dkr h ASP 26 N 0.98 0.39 -0.17 0.00 3.32 -0.82 0.20 116.42 120.31 1dkr h ASP 26 Ca 0.31 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1dkr h ASP 26 Cb 0.01 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1dkr h ASP 26 CO -0.11 0.36 0.09 0.40 -1.72 0.00 0.00 179.24 178.26 1dkr h ILE 27 N 0.39 1.12 0.00 0.35 2.04 -0.97 -2.74 117.51 117.70 1dkr h ILE 27 Ca 0.11 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1dkr h ILE 27 Cb 0.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1dkr h ILE 27 CO -0.02 0.11 -0.51 -0.37 0.00 0.00 0.00 178.15 177.36 1dkr h VAL 28 N 0.17 1.20 -0.03 1.67 -1.51 -1.21 -3.48 116.25 113.06 1dkr h VAL 28 Ca 0.06 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1dkr h VAL 28 Cb 0.10 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1dkr h VAL 28 CO -0.01 0.50 0.00 0.61 -1.23 0.00 0.00 177.57 177.45 1dkr n GLY 29 N 0.26 1.14 3.22 5.19 0.00 0.61 -5.09 105.19 110.52 1dkr n GLY 29 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1dkr n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dkr s VAL 30 N -2.03 0.72 0.10 1.61 -7.23 -0.67 -5.04 120.40 107.86 1dkr s VAL 30 Ca 0.00 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1dkr s VAL 30 Cb 0.00 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1dkr s VAL 30 CO 0.00 -0.61 0.35 -1.10 -0.31 0.00 0.00 175.10 173.43 1dkr s GLN 31 N -3.88 3.62 0.47 4.82 -0.21 -1.26 -4.32 119.66 118.90 1dkr s GLN 31 Ca 0.20 -0.06 -0.23 0.00 0.02 0.00 0.00 55.36 55.29 1dkr s GLN 31 Cb 0.06 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.06 1dkr s GLN 31 CO 0.01 0.53 1.22 -0.51 -2.12 0.00 0.00 175.29 174.42 1dkr s LEU 32 N -2.32 4.00 0.86 2.90 1.43 -1.26 -4.59 118.68 119.71 1dkr s LEU 32 Ca 0.36 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.77 1dkr s LEU 32 Cb -0.13 -4.21 0.10 0.00 0.03 0.00 0.00 46.19 41.99 1dkr s LEU 32 CO 0.22 -1.04 1.13 0.61 0.23 0.00 0.00 176.35 177.50 1dkr n GLY 33 N 0.53 -0.28 3.49 -3.19 0.00 0.22 -4.94 105.19 101.01 1dkr n GLY 33 Ca 0.07 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1dkr n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkr s LYS 34 N -4.27 3.18 0.22 1.61 1.02 -1.26 -4.85 119.74 115.39 1dkr s LYS 34 Ca 0.70 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.11 1dkr s LYS 34 Cb -0.26 -4.18 -0.05 0.00 -0.52 0.00 0.00 37.83 32.82 1dkr s LYS 34 CO 0.55 -1.79 0.02 0.00 -0.92 0.00 0.00 175.35 173.21 1dkr s SER 36 N -3.27 2.26 -0.53 0.00 0.15 0.13 -4.81 113.70 107.63 1dkr s SER 36 Ca 0.29 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.60 1dkr s SER 36 Cb 0.06 -0.95 0.14 0.00 -1.71 0.00 0.00 66.02 63.56 1dkr s SER 36 CO 0.08 -0.06 0.29 -0.69 1.20 0.00 0.00 173.24 174.07 1dkr s VAL 37 N 1.37 2.91 0.03 4.45 1.01 -1.26 -1.23 120.40 127.68 1dkr s VAL 37 Ca -0.00 -3.09 -0.13 0.00 0.00 0.00 0.00 61.98 58.76 1dkr s VAL 37 Cb -0.14 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1dkr s VAL 37 CO -0.06 -0.80 0.41 -0.89 0.00 0.00 0.00 175.10 173.76 1dkr s THR 38 N -0.08 5.05 -0.21 3.92 2.01 -0.32 -4.94 115.64 121.08 1dkr s THR 38 Ca 0.16 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1dkr s THR 38 Cb -0.24 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.62 1dkr s THR 38 CO -0.02 0.46 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.61 1dkr s ARG 39 N -1.41 2.66 0.99 4.92 3.52 -1.26 0.21 118.95 128.57 1dkr s ARG 39 Ca 0.28 -1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 54.74 1dkr s ARG 39 Cb -0.16 -2.66 0.18 0.00 -1.56 0.00 0.00 34.95 30.76 1dkr s ARG 39 CO 0.15 -0.35 1.12 -0.06 -0.81 0.00 0.00 175.30 175.35 1dkr s PHE 40 N 1.24 2.08 0.41 5.12 0.08 0.41 -4.94 117.98 122.38 1dkr s PHE 40 Ca -0.00 0.85 0.11 0.00 0.12 0.00 0.00 56.93 58.01 1dkr s PHE 40 Cb -0.16 -3.36 0.88 0.00 -0.57 0.00 0.00 43.02 39.81 1dkr s PHE 40 CO -0.10 -2.81 1.96 0.66 -0.10 0.00 0.00 175.22 174.83 1dkr h SER 41 N -1.82 0.16 0.00 1.36 4.64 -2.00 -2.36 113.55 113.53 1dkr h SER 41 Ca -0.52 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1dkr h SER 41 Cb 1.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1dkr h SER 41 CO 0.57 0.30 0.00 -0.90 -0.87 0.00 0.00 176.83 175.93 1dkr n ASP 42 N -4.32 0.00 0.00 4.97 5.75 -1.26 -4.87 116.55 116.82 1dkr n ASP 42 Ca -0.01 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1dkr n ASP 42 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1dkr n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dkr n GLY 43 N 0.68 0.97 3.79 6.12 0.00 -0.89 -5.08 105.19 110.78 1dkr n GLY 43 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1dkr n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkr s GLU 44 N -0.89 3.32 -0.07 1.61 2.02 -1.26 -4.77 118.70 118.67 1dkr s GLU 44 Ca 0.00 1.31 0.01 0.00 0.02 0.00 0.00 54.97 56.31 1dkr s GLU 44 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1dkr s GLU 44 CO 0.00 -0.82 -0.09 0.08 0.02 0.00 0.00 175.26 174.45 1dkr s VAL 45 N -2.27 3.47 -0.06 2.63 1.01 -1.26 -0.44 120.40 123.47 1dkr s VAL 45 Ca 0.66 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1dkr s VAL 45 Cb -0.18 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1dkr s VAL 45 CO 0.33 0.59 -0.03 -1.58 0.00 0.00 0.00 175.10 174.41 1dkr s GLN 46 N -0.64 0.79 -0.06 2.72 0.74 0.13 -4.98 119.66 118.36 1dkr s GLN 46 Ca 0.10 -0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.42 1dkr s GLN 46 Cb -0.11 -0.93 -0.04 0.00 1.10 0.00 0.00 33.01 33.03 1dkr s GLN 46 CO 0.01 -0.17 0.17 0.42 -0.55 0.00 0.00 175.29 175.17 1dkr s ILE 47 N 1.33 5.46 -0.04 -2.34 -1.09 -1.25 -1.17 121.20 122.11 1dkr s ILE 47 Ca -0.04 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1dkr s ILE 47 Cb -0.13 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1dkr s ILE 47 CO -0.02 0.46 0.02 0.20 -1.23 0.00 0.00 174.94 174.37 1dkr s ASN 48 N -1.50 0.69 -0.39 3.58 0.02 -0.37 -4.94 114.94 112.03 1dkr s ASN 48 Ca 0.22 0.00 -0.29 0.00 -1.02 0.00 0.00 52.86 51.77 1dkr s ASN 48 Cb -0.12 -0.20 0.02 0.00 0.02 0.00 0.00 41.25 40.96 1dkr s ASN 48 CO 0.12 -0.15 1.08 -0.63 0.02 0.00 0.00 177.10 177.54 1dkr s ILE 49 N 1.44 4.39 -2.00 0.60 -1.09 -1.26 0.18 121.20 123.45 1dkr s ILE 49 Ca -0.04 1.45 0.16 0.00 -2.23 0.00 0.00 60.65 60.00 1dkr s ILE 49 Cb -0.13 -4.49 0.47 0.00 -1.58 0.00 0.00 42.46 36.73 1dkr s ILE 49 CO -0.03 -0.71 1.56 -0.62 -1.23 0.00 0.00 174.94 173.91 1dkr n GLU 50 N 7.27 0.90 -3.83 2.79 -0.58 0.17 -4.81 120.64 122.55 1dkr n GLU 50 Ca 0.11 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.74 1dkr n GLU 50 Cb 0.48 -1.28 -0.09 0.00 -0.57 0.00 0.00 31.44 29.98 1dkr n GLU 50 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1dkr s GLU 51 N -2.00 0.63 0.13 3.49 -1.05 -1.24 -4.97 118.70 113.69 1dkr s GLU 51 Ca 0.25 -0.48 -0.31 0.00 -0.15 0.00 0.00 54.97 54.28 1dkr s GLU 51 Cb 0.11 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1dkr s GLU 51 CO 0.19 -0.18 1.57 0.45 0.95 0.00 0.00 175.26 178.24 1dkr s SER 52 N -1.75 6.63 -0.06 0.83 0.15 -1.26 -4.89 113.70 113.35 1dkr s SER 52 Ca -0.09 2.53 0.09 0.00 0.70 0.00 0.00 55.95 59.18 1dkr s SER 52 Cb -0.04 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 1dkr s SER 52 CO -0.01 -0.82 1.05 2.30 1.20 0.00 0.00 173.24 176.96 1dkr n ILE 53 N 4.21 1.32 -1.63 6.45 -6.64 -1.26 -5.03 119.36 116.78 1dkr n ILE 53 Ca 0.14 -1.51 -0.46 0.00 -1.77 0.00 0.00 62.75 59.16 1dkr n ILE 53 Cb 0.40 0.16 -0.04 0.00 -1.44 0.00 0.00 39.64 38.72 1dkr n ILE 53 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1dkr n ARG 54 N -0.90 2.22 -0.46 6.28 0.63 -1.25 -0.80 116.66 122.37 1dkr n ARG 54 Ca 0.08 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1dkr n ARG 54 Cb 0.48 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.52 1dkr n ARG 54 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1dkr n GLY 55 N 5.00 0.99 3.87 5.14 0.00 -0.57 -4.93 105.19 114.68 1dkr n GLY 55 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1dkr n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkr s ASP 57 N -2.51 6.45 -0.14 0.00 1.01 -0.91 0.35 116.67 120.92 1dkr s ASP 57 Ca 0.49 0.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.07 1dkr s ASP 57 Cb -0.11 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1dkr s ASP 57 CO 0.22 -0.44 0.01 0.00 0.21 0.00 0.00 175.17 175.18 1dkr s TYR 59 N -0.08 2.85 -0.13 0.00 1.51 0.06 -0.62 117.35 120.94 1dkr s TYR 59 Ca 0.04 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1dkr s TYR 59 Cb -0.13 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1dkr s TYR 59 CO 0.02 0.15 -0.22 0.42 -1.11 0.00 0.00 175.55 174.80 1dkr s ILE 60 N -0.44 2.03 -0.33 2.71 1.01 -0.32 -0.85 121.20 125.00 1dkr s ILE 60 Ca 0.06 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 1dkr s ILE 60 Cb -0.12 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1dkr s ILE 60 CO 0.02 0.55 0.20 -0.63 0.00 0.00 0.00 174.94 175.07 1dkr s ILE 61 N 0.68 4.88 -0.23 2.92 1.01 -0.32 -0.54 121.20 129.60 1dkr s ILE 61 Ca -0.11 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1dkr s ILE 61 Cb -0.16 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.87 1dkr s ILE 61 CO 0.01 -0.01 0.53 -1.58 0.00 0.00 0.00 174.94 173.89 1dkr s GLN 62 N 1.65 0.48 0.07 2.79 2.00 -0.78 -3.08 119.66 122.79 1dkr s GLN 62 Ca 0.05 1.11 -0.12 0.00 -2.00 0.00 0.00 55.36 54.39 1dkr s GLN 62 Cb -0.17 0.32 -0.06 0.00 0.80 0.00 0.00 33.01 33.89 1dkr s GLN 62 CO 0.08 -0.19 0.43 -1.12 -0.50 0.00 0.00 175.29 173.99 1dkr s SER 63 N 2.15 6.73 -1.03 6.67 0.01 -1.26 -4.11 113.70 122.85 1dkr s SER 63 Ca -0.07 0.90 -0.02 0.00 1.31 0.00 0.00 55.95 58.08 1dkr s SER 63 Cb -0.10 -2.22 0.27 0.00 0.21 0.00 0.00 66.02 64.18 1dkr s SER 63 CO -0.16 0.21 2.02 0.35 0.41 0.00 0.00 173.24 176.06 1dkr n THR 64 N 1.17 5.44 -2.65 1.44 -2.24 -0.25 -4.67 114.28 112.52 1dkr n THR 64 Ca -0.09 -5.26 -0.23 0.00 -2.27 0.00 0.00 64.05 56.19 1dkr n THR 64 Cb 0.52 -1.61 0.10 0.00 -2.10 0.00 0.00 70.33 67.24 1dkr n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dkr s SER 65 N -0.88 4.46 -0.29 3.42 1.04 -1.26 -3.70 113.70 116.49 1dkr s SER 65 Ca 0.45 -0.43 -0.41 0.00 0.48 0.00 0.00 55.95 56.04 1dkr s SER 65 Cb 0.24 0.03 -0.16 0.00 0.10 0.00 0.00 66.02 66.22 1dkr s SER 65 CO -0.17 -1.79 1.70 -0.67 0.98 0.00 0.00 173.24 173.30 1dkr n ASP 66 N -2.75 2.18 -4.63 7.02 -0.08 -1.26 -2.07 116.55 114.97 1dkr n ASP 66 Ca 0.15 1.09 -0.41 0.00 -1.51 0.00 0.00 54.79 54.11 1dkr n ASP 66 Cb 0.61 -1.11 -0.05 0.00 2.34 0.00 0.00 41.12 42.91 1dkr n ASP 66 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1dkr s PRO 67 N 3.30 4.10 0.26 -0.67 0.02 -1.26 -5.02 135.00 135.72 1dkr s PRO 67 Ca 0.99 0.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.73 1dkr s PRO 67 Cb -1.12 -3.67 0.48 0.00 0.02 0.00 0.00 34.50 30.21 1dkr s PRO 67 CO 0.67 -0.54 1.78 -0.24 -0.33 0.00 0.00 177.00 178.34 1dkr h VAL 68 N 5.47 0.79 0.00 3.83 3.04 -1.64 -2.10 116.25 125.64 1dkr h VAL 68 Ca -0.24 -0.23 -0.10 0.00 -1.01 0.00 0.00 66.70 65.12 1dkr h VAL 68 Cb 1.10 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1dkr h VAL 68 CO 0.85 0.12 -0.45 0.78 -1.01 0.00 0.00 177.57 177.86 1dkr h ASN 69 N 0.67 0.00 -0.07 3.17 2.35 -1.91 0.25 115.58 120.04 1dkr h ASN 69 Ca 0.44 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.07 1dkr h ASN 69 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 1dkr h ASN 69 CO -0.32 0.45 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.15 1dkr h GLU 70 N 0.00 0.41 -0.45 0.81 4.39 -1.81 -2.60 114.58 115.33 1dkr h GLU 70 Ca -0.00 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1dkr h GLU 70 Cb 0.81 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1dkr h GLU 70 CO 0.06 0.99 0.04 0.45 -1.16 0.00 0.00 179.01 179.39 1dkr h HIS 71 N -0.06 0.73 -0.27 4.33 3.86 -1.06 -1.36 115.15 121.32 1dkr h HIS 71 Ca -0.03 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1dkr h HIS 71 Cb 1.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1dkr h HIS 71 CO 0.13 0.66 -0.10 0.82 0.86 0.00 0.00 177.93 180.30 1dkr h ILE 72 N 0.67 1.29 -0.49 2.45 2.04 -0.55 -2.69 117.51 120.23 1dkr h ILE 72 Ca 0.14 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 1dkr h ILE 72 Cb 0.35 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1dkr h ILE 72 CO 0.01 0.37 -0.21 0.24 0.00 0.00 0.00 178.15 178.55 1dkr h MET 73 N 0.28 1.00 -0.00 2.37 2.86 -1.21 -1.47 114.93 118.76 1dkr h MET 73 Ca 0.06 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.20 1dkr h MET 73 Cb 0.60 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1dkr h MET 73 CO 0.03 1.11 -0.37 1.05 1.06 0.00 0.00 176.91 179.79 1dkr h GLU 74 N 0.86 0.01 -0.24 1.72 4.11 -1.27 0.24 114.58 120.01 1dkr h GLU 74 Ca 0.11 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.43 1dkr h GLU 74 Cb 0.79 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1dkr h GLU 74 CO 0.07 0.37 -0.27 1.25 0.07 0.00 0.00 179.01 180.50 1dkr h LEU 75 N 0.01 0.65 -0.58 3.06 5.85 -1.27 -1.52 115.31 121.50 1dkr h LEU 75 Ca -0.00 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 1dkr h LEU 75 Cb 0.65 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1dkr h LEU 75 CO 0.05 1.01 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.97 1dkr h LEU 76 N 0.30 1.02 -1.03 2.25 3.38 -0.81 -1.98 115.31 118.44 1dkr h LEU 76 Ca 0.03 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1dkr h LEU 76 Cb 0.84 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1dkr h LEU 76 CO 0.07 1.13 -0.27 0.40 0.09 0.00 0.00 178.44 179.85 1dkr h ILE 77 N 0.90 1.26 -0.30 1.22 2.04 -0.94 -2.10 117.51 119.59 1dkr h ILE 77 Ca 0.14 -1.25 -0.17 0.00 1.00 0.00 0.00 64.86 64.58 1dkr h ILE 77 Cb 0.68 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1dkr h ILE 77 CO 0.05 0.39 -0.47 -0.03 0.00 0.00 0.00 178.15 178.09 1dkr h MET 78 N 0.32 0.85 -0.79 2.37 4.05 -1.06 -2.01 114.93 118.64 1dkr h MET 78 Ca 0.05 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1dkr h MET 78 Cb 0.65 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 1dkr h MET 78 CO 0.05 1.15 0.51 0.28 0.23 0.00 0.00 176.91 179.12 1dkr h VAL 79 N 0.62 1.21 -0.34 -5.77 2.07 -1.22 -1.76 116.25 111.07 1dkr h VAL 79 Ca 0.03 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1dkr h VAL 79 Cb 1.07 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1dkr h VAL 79 CO 0.11 0.21 0.12 -0.78 0.02 0.00 0.00 177.57 177.24 1dkr h ASP 80 N 1.08 0.48 -0.81 0.57 3.58 -1.15 -0.05 116.42 120.12 1dkr h ASP 80 Ca 0.29 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1dkr h ASP 80 Cb -0.09 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1dkr h ASP 80 CO -0.06 0.54 0.34 0.00 -2.88 0.00 0.00 179.24 177.18 1dkr h ALA 81 N 0.96 1.05 -0.26 -0.78 0.00 -0.92 -0.73 119.26 118.58 1dkr h ALA 81 Ca 0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1dkr h ALA 81 Cb 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dkr h ALA 81 CO -0.01 0.66 -0.39 -0.07 0.00 0.00 0.00 179.25 179.44 1dkr h LEU 82 N 1.18 0.79 -0.38 0.00 3.38 -1.22 -0.67 115.31 118.39 1dkr h LEU 82 Ca 0.27 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1dkr h LEU 82 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dkr h LEU 82 CO -0.03 1.16 0.23 0.50 0.09 0.00 0.00 178.44 180.39 1dkr h LYS 83 N 0.46 0.52 0.00 1.13 3.64 -0.82 -1.86 116.57 119.63 1dkr h LYS 83 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1dkr h LYS 83 Cb 0.99 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1dkr h LYS 83 CO 0.09 0.39 0.00 0.54 -2.27 0.00 0.00 179.45 178.20 1dkr n ARG 84 N -4.78 0.21 -0.77 1.90 1.74 -0.29 -2.01 116.66 112.66 1dkr n ARG 84 Ca 0.00 0.37 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 1dkr n ARG 84 Cb 0.05 -1.85 0.38 0.00 -1.02 0.00 0.00 32.46 30.02 1dkr n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dkr n ALA 85 N -1.78 3.52 -3.41 7.54 0.00 -0.27 -4.98 120.51 121.14 1dkr n ALA 85 Ca 0.03 -1.81 -0.17 0.00 0.00 0.00 0.00 53.44 51.49 1dkr n ALA 85 Cb 0.28 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1dkr n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dkr n SER 86 N 0.79 -2.36 -4.79 0.00 7.64 -0.85 -3.96 113.62 110.09 1dkr n SER 86 Ca 0.27 -0.60 -0.34 0.00 1.01 0.00 0.00 58.87 59.21 1dkr n SER 86 Cb 1.06 -5.03 -0.01 0.00 -1.01 0.00 0.00 64.21 59.22 1dkr n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dkr s ALA 87 N -3.35 2.77 -0.05 -0.43 0.00 -0.88 -1.51 121.76 118.31 1dkr s ALA 87 Ca 0.04 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 1dkr s ALA 87 Cb -0.02 -3.29 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 1dkr s ALA 87 CO 0.71 -0.59 1.04 -0.22 0.00 0.00 0.00 175.76 176.70 1dkr h LYS 88 N 1.18 0.18 -4.07 0.00 3.64 -0.29 -3.43 116.57 113.77 1dkr h LYS 88 Ca -0.49 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 58.53 1dkr h LYS 88 Cb 1.23 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.91 1dkr h LYS 88 CO 0.58 0.92 -0.70 0.95 -2.27 0.00 0.00 179.45 178.93 1dkr s THR 89 N -3.15 0.16 -0.35 1.00 -4.23 -1.12 -4.98 115.64 102.98 1dkr s THR 89 Ca -0.16 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1dkr s THR 89 Cb 0.01 -0.51 0.11 0.00 1.34 0.00 0.00 72.50 73.45 1dkr s THR 89 CO 0.74 -0.58 0.11 -0.63 -0.54 0.00 0.00 174.62 173.72 1dkr s ILE 90 N -1.89 1.54 -0.25 2.99 1.01 -1.26 -1.15 121.20 122.20 1dkr s ILE 90 Ca -0.11 -1.99 -0.10 0.00 0.00 0.00 0.00 60.65 58.45 1dkr s ILE 90 Cb -0.07 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1dkr s ILE 90 CO -0.02 -0.68 0.14 0.20 0.00 0.00 0.00 174.94 174.58 1dkr s ASN 91 N 1.10 5.84 -0.23 3.58 0.01 0.21 0.84 114.94 126.28 1dkr s ASN 91 Ca 0.12 0.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.17 1dkr s ASN 91 Cb -0.19 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1dkr s ASN 91 CO -0.14 0.02 0.14 -0.63 -1.51 0.00 0.00 177.10 174.98 1dkr s ILE 92 N 1.35 5.29 -0.28 0.60 -1.09 0.53 -1.18 121.20 126.42 1dkr s ILE 92 Ca 0.07 0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1dkr s ILE 92 Cb -0.15 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1dkr s ILE 92 CO 0.06 0.37 0.09 -0.69 -1.23 0.00 0.00 174.94 173.54 1dkr s VAL 93 N 0.91 4.20 -0.39 2.92 1.01 0.30 -0.55 120.40 128.79 1dkr s VAL 93 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1dkr s VAL 93 Cb -0.13 -3.09 0.11 0.00 0.00 0.00 0.00 36.38 33.26 1dkr s VAL 93 CO 0.03 0.16 0.12 -0.63 0.00 0.00 0.00 175.10 174.78 1dkr s ILE 94 N 1.56 2.40 0.18 2.22 1.01 0.03 -1.86 121.20 126.73 1dkr s ILE 94 Ca 0.04 -2.62 -0.11 0.00 0.00 0.00 0.00 60.65 57.96 1dkr s ILE 94 Cb -0.16 -2.74 0.09 0.00 0.01 0.00 0.00 42.46 39.66 1dkr s ILE 94 CO 0.03 -0.66 1.75 -0.65 0.00 0.00 0.00 174.94 175.41 1dkr h PRO 95 N 7.30 0.94 -4.56 2.79 0.11 -1.84 -3.22 132.00 133.52 1dkr h PRO 95 Ca -0.05 -0.16 -0.55 0.00 0.11 0.00 0.00 66.00 65.35 1dkr h PRO 95 Cb 0.98 -0.16 -0.35 0.00 0.11 0.00 0.00 31.00 31.59 1dkr h PRO 95 CO 0.57 0.78 -0.82 -0.47 -0.21 0.00 0.00 178.00 177.85 1dkr s TYR 96 N -5.59 1.68 -0.59 0.65 5.04 -1.26 -4.34 117.35 112.94 1dkr s TYR 96 Ca -0.13 -0.74 -0.17 0.00 -2.44 0.00 0.00 57.07 53.60 1dkr s TYR 96 Cb 0.13 -1.25 0.13 0.00 0.35 0.00 0.00 41.96 41.33 1dkr s TYR 96 CO 0.80 -0.41 0.59 -0.47 -1.34 0.00 0.00 175.55 174.73 1dkr s TYR 97 N 1.01 3.24 0.75 4.97 6.14 -1.26 -1.09 117.35 131.11 1dkr s TYR 97 Ca -0.07 -1.28 -0.12 0.00 0.64 0.00 0.00 57.07 56.23 1dkr s TYR 97 Cb -0.15 -3.87 0.05 0.00 0.42 0.00 0.00 41.96 38.42 1dkr s TYR 97 CO -0.01 -1.10 1.12 0.20 0.64 0.00 0.00 175.55 176.41 1dkr s GLY 98 N 3.46 1.93 -0.30 8.97 0.00 -1.24 -3.20 107.32 116.93 1dkr s GLY 98 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1dkr s GLY 98 CO 0.02 0.87 0.00 -1.72 0.00 0.00 0.00 173.10 172.27 1dkr n TYR 99 N -3.17 0.00 0.28 1.90 4.01 -1.26 -4.87 117.16 114.05 1dkr n TYR 99 Ca 0.11 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 58.01 1dkr n TYR 99 Cb 0.52 -1.48 0.71 0.00 -0.31 0.00 0.00 39.34 38.77 1dkr n TYR 99 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dkr h ALA 100 N 0.00 1.01 0.00 -0.72 0.00 -1.93 -1.36 119.26 116.26 1dkr h ALA 100 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dkr h ALA 100 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1dkr h ALA 100 CO 0.09 0.03 -0.03 0.54 0.00 0.00 0.00 179.25 179.88 1dkr n ARG 101 N -3.14 0.15 -2.52 0.00 3.00 -1.26 -3.91 116.66 108.98 1dkr n ARG 101 Ca 0.00 0.12 -0.42 0.00 -0.01 0.00 0.00 57.85 57.54 1dkr n ARG 101 Cb 0.30 -1.67 0.01 0.00 0.00 0.00 0.00 32.46 31.10 1dkr n ARG 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1dkr n GLN 102 N -1.92 4.32 -0.07 5.56 6.02 -0.52 -4.64 117.38 126.13 1dkr n GLN 102 Ca 0.06 -3.99 0.04 0.00 -0.01 0.00 0.00 57.00 53.10 1dkr n GLN 102 Cb 0.39 -2.68 0.07 0.00 1.02 0.00 0.00 30.24 29.04 1dkr n GLN 102 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1dkr n ASP 103 N 2.15 2.19 -3.51 1.08 5.75 -1.25 -1.30 116.55 121.66 1dkr n ASP 103 Ca 0.41 -1.70 -0.11 0.00 -0.01 0.00 0.00 54.79 53.38 1dkr n ASP 103 Cb 0.32 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1dkr n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dkr s ARG 104 N -0.84 1.27 0.44 0.11 3.03 -1.26 -5.03 118.95 116.66 1dkr s ARG 104 Ca 0.13 -0.57 -0.00 0.00 2.03 0.00 0.00 55.73 57.31 1dkr s ARG 104 Cb 0.07 0.56 -0.01 0.00 -1.03 0.00 0.00 34.95 34.55 1dkr s ARG 104 CO 0.10 -0.55 0.67 0.15 -1.13 0.00 0.00 175.30 174.54 1dkr s LYS 105 N -3.78 3.19 0.01 3.89 1.02 -1.26 -4.82 119.74 117.98 1dkr s LYS 105 Ca 0.02 -0.37 0.22 0.00 0.02 0.00 0.00 55.97 55.86 1dkr s LYS 105 Cb -0.01 -2.55 -0.27 0.00 -0.52 0.00 0.00 37.83 34.48 1dkr s LYS 105 CO -0.11 -0.20 0.57 0.45 -0.92 0.00 0.00 175.35 175.14 1dkr n SER 108 N -2.06 0.17 -2.69 2.83 2.88 -1.26 -5.02 113.62 108.47 1dkr n SER 108 Ca 0.00 0.07 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 1dkr n SER 108 Cb 0.57 1.64 -0.01 0.00 -0.75 0.00 0.00 64.21 65.66 1dkr n SER 108 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1dkr n ARG 109 N -2.37 3.15 -3.25 -1.46 1.74 -1.26 -5.08 116.66 108.14 1dkr n ARG 109 Ca -0.05 -4.54 -0.24 0.00 -0.77 0.00 0.00 57.85 52.26 1dkr n ARG 109 Cb 0.60 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 1dkr n ARG 109 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1dkr s GLU 110 N -3.46 3.37 0.78 5.56 2.02 -1.26 -5.12 118.70 120.59 1dkr s GLU 110 Ca 0.47 -0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 1dkr s GLU 110 Cb 0.36 -2.63 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1dkr s GLU 110 CO -0.16 0.02 1.08 -1.25 0.02 0.00 0.00 175.26 174.98 1dkr s PRO 111 N -4.39 1.52 -0.64 0.39 0.04 -1.26 -4.89 135.00 125.77 1dkr s PRO 111 Ca 0.42 -0.77 0.06 0.00 0.04 0.00 0.00 61.00 60.75 1dkr s PRO 111 Cb -0.10 -2.18 0.22 0.00 0.04 0.00 0.00 34.50 32.48 1dkr s PRO 111 CO 0.37 -1.64 0.62 -0.89 0.04 0.00 0.00 177.00 175.50 1dkr n ILE 112 N -3.08 1.73 -0.01 0.56 5.41 -1.26 -4.71 119.36 118.00 1dkr n ILE 112 Ca 0.14 -4.93 0.21 0.00 1.00 0.00 0.00 62.75 59.17 1dkr n ILE 112 Cb 0.60 -2.10 0.71 0.00 -0.71 0.00 0.00 39.64 38.14 1dkr n ILE 112 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1dkr h THR 113 N 3.61 0.65 -0.32 1.39 2.02 -1.80 -0.40 112.91 118.04 1dkr h THR 113 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 1dkr h THR 113 Cb 0.72 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1dkr h THR 113 CO 0.75 0.00 0.02 0.00 0.37 0.00 0.00 175.52 176.65 1dkr h ALA 114 N 1.68 1.43 0.18 6.16 0.00 -1.16 -1.40 119.26 126.15 1dkr h ALA 114 Ca 0.26 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 1dkr h ALA 114 Cb 1.11 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.79 1dkr h ALA 114 CO -0.00 0.40 -1.33 -0.22 0.00 0.00 0.00 179.25 178.11 1dkr h LYS 115 N 0.48 0.58 -0.36 0.00 1.63 -1.32 -3.11 116.57 114.47 1dkr h LYS 115 Ca 0.11 -0.87 0.02 0.00 -0.85 0.00 0.00 60.65 59.06 1dkr h LYS 115 Cb 0.28 0.30 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 1dkr h LYS 115 CO 0.01 1.40 0.19 1.25 -3.45 0.00 0.00 179.45 178.85 1dkr h LEU 116 N 0.19 0.30 -0.44 5.20 5.85 -0.99 -1.49 115.31 123.92 1dkr h LEU 116 Ca -0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1dkr h LEU 116 Cb 2.01 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 1dkr h LEU 116 CO 0.25 0.22 0.27 0.15 -0.34 0.00 0.00 178.44 178.99 1dkr h PHE 117 N 0.39 0.50 -0.12 1.25 3.57 -1.36 0.66 116.94 121.83 1dkr h PHE 117 Ca 0.15 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1dkr h PHE 117 Cb 0.03 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1dkr h PHE 117 CO -0.09 0.30 -0.15 0.00 -2.23 0.00 0.00 178.31 176.14 1dkr h ALA 118 N 1.19 -0.07 -0.96 2.41 0.00 -1.39 0.95 119.26 121.39 1dkr h ALA 118 Ca 0.18 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1dkr h ALA 118 Cb -0.00 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1dkr h ALA 118 CO -0.07 -0.60 0.64 -0.91 0.00 0.00 0.00 179.25 178.30 1dkr h ASN 119 N -0.19 1.11 -0.56 0.00 2.35 -0.89 -2.23 115.58 115.18 1dkr h ASN 119 Ca 0.09 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1dkr h ASN 119 Cb 0.32 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1dkr h ASN 119 CO -0.23 0.81 0.31 -0.07 -1.65 0.00 0.00 177.43 176.59 1dkr h LEU 120 N 1.31 0.70 -0.36 1.61 3.38 -0.01 -1.47 115.31 120.47 1dkr h LEU 120 Ca 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1dkr h LEU 120 Cb -0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1dkr h LEU 120 CO -0.08 0.59 0.23 0.25 0.09 0.00 0.00 178.44 179.53 1dkr h LEU 121 N 0.75 0.41 -0.51 1.67 5.85 -0.44 -0.34 115.31 122.70 1dkr h LEU 121 Ca 0.20 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1dkr h LEU 121 Cb 0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1dkr h LEU 121 CO -0.03 0.31 0.02 -0.33 -0.34 0.00 0.00 178.44 178.06 1dkr h GLU 122 N 0.48 0.90 -0.95 1.25 5.08 -1.30 -2.60 114.58 117.45 1dkr h GLU 122 Ca 0.13 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1dkr h GLU 122 Cb -0.05 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1dkr h GLU 122 CO -0.03 0.92 0.63 1.15 -1.00 0.00 0.00 179.01 180.68 1dkr h THR 123 N 0.77 1.22 0.00 1.13 2.02 -0.68 -1.85 112.91 115.51 1dkr h THR 123 Ca 0.15 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1dkr h THR 123 Cb 0.50 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1dkr h THR 123 CO 0.02 0.23 -0.09 0.00 0.37 0.00 0.00 175.52 176.05 1dkr h ALA 124 N 1.36 1.10 0.00 6.16 0.00 -0.92 -3.47 119.26 123.50 1dkr h ALA 124 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1dkr h ALA 124 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dkr h ALA 124 CO -0.09 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1dkr n GLY 125 N -0.35 1.05 3.77 0.00 0.00 -0.70 -4.11 105.19 104.86 1dkr n GLY 125 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1dkr n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkr s ALA 126 N -1.66 3.55 -0.14 4.61 0.00 -0.99 -4.71 121.76 122.41 1dkr s ALA 126 Ca 0.00 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1dkr s ALA 126 Cb 0.00 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.32 1dkr s ALA 126 CO 0.00 -0.88 0.41 1.15 0.00 0.00 0.00 175.76 176.44 1dkr h THR 127 N 3.03 0.89 -2.82 0.00 2.02 0.08 -3.45 112.91 112.66 1dkr h THR 127 Ca -0.50 -2.32 0.09 0.00 0.77 0.00 0.00 66.41 64.45 1dkr h THR 127 Cb 1.23 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 70.10 1dkr h THR 127 CO 0.66 0.65 0.30 0.00 0.37 0.00 0.00 175.52 177.49 1dkr s ARG 128 N -2.46 1.56 0.04 6.66 1.70 -1.21 -4.22 118.95 121.01 1dkr s ARG 128 Ca -0.23 -0.83 0.04 0.00 -0.47 0.00 0.00 55.73 54.23 1dkr s ARG 128 Cb 0.05 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1dkr s ARG 128 CO 0.72 -0.71 -0.11 0.08 -1.08 0.00 0.00 175.30 174.19 1dkr s VAL 129 N -3.72 0.85 -0.12 4.99 1.01 -0.71 -0.35 120.40 122.34 1dkr s VAL 129 Ca 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1dkr s VAL 129 Cb -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1dkr s VAL 129 CO 0.03 -0.10 -0.17 -0.63 0.00 0.00 0.00 175.10 174.23 1dkr s ILE 130 N -0.91 1.69 0.22 2.22 1.01 0.28 -1.93 121.20 123.79 1dkr s ILE 130 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1dkr s ILE 130 Cb -0.08 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1dkr s ILE 130 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 174.94 175.33 1dkr s ALA 131 N 0.99 2.04 -0.10 9.38 0.00 -0.59 -0.79 121.76 132.68 1dkr s ALA 131 Ca -0.05 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 1dkr s ALA 131 Cb -0.15 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1dkr s ALA 131 CO -0.03 -0.02 -0.01 -1.17 0.00 0.00 0.00 175.76 174.53 1dkr s LEU 132 N -3.34 0.86 -0.84 0.00 2.96 -1.22 0.12 118.68 117.23 1dkr s LEU 132 Ca 0.25 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1dkr s LEU 132 Cb 0.02 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.13 1dkr s LEU 132 CO 0.08 -0.20 0.65 0.47 -1.32 0.00 0.00 176.35 176.03 1dkr n ASP 133 N 5.07 -5.74 -4.77 3.68 8.00 -0.02 -4.74 116.55 118.03 1dkr n ASP 133 Ca -0.09 -0.72 -0.37 0.00 0.71 0.00 0.00 54.79 54.32 1dkr n ASP 133 Cb 0.49 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1dkr n ASP 133 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dkr s LEU 134 N -4.90 3.92 0.40 0.64 1.43 -1.26 -4.90 118.68 114.01 1dkr s LEU 134 Ca 0.06 2.35 0.17 0.00 -1.03 0.00 0.00 54.13 55.68 1dkr s LEU 134 Cb -0.02 -4.33 1.05 0.00 0.03 0.00 0.00 46.19 42.92 1dkr s LEU 134 CO 0.85 -1.11 1.83 -0.74 0.23 0.00 0.00 176.35 177.41 1dkr h HIS 135 N 1.74 0.62 -3.62 0.29 -0.00 -1.90 -3.39 115.15 108.89 1dkr h HIS 135 Ca -0.50 0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 59.56 1dkr h HIS 135 Cb 1.26 -0.19 -0.32 0.00 -0.00 0.00 0.00 27.41 28.16 1dkr h HIS 135 CO 0.51 0.14 -0.75 0.00 -0.00 0.00 0.00 177.93 177.83 1dkr s ALA 136 N -5.49 0.36 0.55 5.26 0.00 -1.26 -5.03 121.76 116.14 1dkr s ALA 136 Ca -0.09 0.03 0.23 0.00 0.00 0.00 0.00 51.96 52.13 1dkr s ALA 136 Cb 0.23 -0.24 1.46 0.00 0.00 0.00 0.00 23.12 24.57 1dkr s ALA 136 CO 0.79 -0.01 2.12 -1.00 0.00 0.00 0.00 175.76 177.66 1dkr h PRO 137 N 6.81 0.00 0.00 0.00 0.13 -2.01 -1.20 132.00 135.74 1dkr h PRO 137 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1dkr h PRO 137 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dkr h PRO 137 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 1dkr n GLN 138 N -4.25 0.32 0.22 0.86 0.00 -1.26 -2.37 117.38 110.90 1dkr n GLN 138 Ca 0.01 0.09 0.15 0.00 0.00 0.00 0.00 57.00 57.25 1dkr n GLN 138 Cb 0.26 -1.50 0.63 0.00 0.00 0.00 0.00 30.24 29.63 1dkr n GLN 138 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1dkr h ILE 139 N 0.00 0.00 -0.48 -0.39 2.04 -1.63 -1.08 117.51 115.97 1dkr h ILE 139 Ca 0.00 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1dkr h ILE 139 Cb 0.17 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1dkr h ILE 139 CO 0.00 0.00 -0.05 1.56 0.00 0.00 0.00 178.15 179.66 1dkr h GLN 140 N 0.00 0.83 0.00 2.37 4.20 -1.68 -1.52 115.11 119.32 1dkr h GLN 140 Ca 0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1dkr h GLN 140 Cb 0.41 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1dkr h GLN 140 CO 0.00 0.87 0.00 0.41 -0.67 0.00 0.00 178.83 179.44 1dkr n GLY 141 N -0.52 -0.83 0.11 3.46 0.00 -0.41 -2.83 105.19 104.17 1dkr n GLY 141 Ca 0.02 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1dkr n GLY 141 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dkr n PHE 142 N -1.25 0.88 -4.04 1.61 3.01 -0.57 -4.82 117.46 112.28 1dkr n PHE 142 Ca 0.09 0.29 -0.26 0.00 1.01 0.00 0.00 57.45 58.58 1dkr n PHE 142 Cb 0.13 -0.97 -0.05 0.00 -0.01 0.00 0.00 39.48 38.58 1dkr n PHE 142 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1dkr s PHE 143 N -3.19 3.25 -0.18 1.38 0.40 -1.13 -4.72 117.98 113.80 1dkr s PHE 143 Ca 0.08 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 1dkr s PHE 143 Cb 0.11 -1.56 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 1dkr s PHE 143 CO 0.52 0.52 0.32 -0.25 0.70 0.00 0.00 175.22 177.03 1dkr n ASP 144 N -0.36 0.63 -4.94 1.36 8.00 -1.26 -4.99 116.55 114.99 1dkr n ASP 144 Ca -0.08 -0.82 -0.25 0.00 0.71 0.00 0.00 54.79 54.36 1dkr n ASP 144 Cb 0.54 0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 42.13 1dkr n ASP 144 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1dkr s ILE 145 N -0.68 5.14 0.41 0.53 -4.36 -1.26 -5.04 121.20 115.94 1dkr s ILE 145 Ca 0.02 -0.46 -0.27 0.00 -0.26 0.00 0.00 60.65 59.67 1dkr s ILE 145 Cb 0.02 -3.82 -0.10 0.00 1.25 0.00 0.00 42.46 39.81 1dkr s ILE 145 CO 0.05 -0.41 1.46 -2.84 0.24 0.00 0.00 174.94 173.45 1dkr s PRO 146 N -3.95 3.93 -0.03 0.37 0.02 -1.26 -4.88 135.00 129.20 1dkr s PRO 146 Ca 0.39 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.92 1dkr s PRO 146 Cb -0.10 -2.84 0.03 0.00 0.02 0.00 0.00 34.50 31.62 1dkr s PRO 146 CO 0.33 -0.66 0.06 -1.50 -0.33 0.00 0.00 177.00 174.90 1dkr s ILE 147 N -1.15 -0.05 -0.26 2.83 2.07 -1.26 -1.74 121.20 121.63 1dkr s ILE 147 Ca 0.56 0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.95 1dkr s ILE 147 Cb -0.45 -0.12 0.01 0.00 0.13 0.00 0.00 42.46 42.02 1dkr s ILE 147 CO 0.60 0.08 0.02 -1.81 -1.91 0.00 0.00 174.94 171.92 1dkr s ASP 148 N 1.06 4.74 -0.36 4.50 1.01 -0.81 -5.00 116.67 121.81 1dkr s ASP 148 Ca -0.09 -0.62 -0.14 0.00 0.71 0.00 0.00 52.55 52.41 1dkr s ASP 148 Cb -0.12 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 1dkr s ASP 148 CO -0.04 -0.12 0.31 -2.28 0.21 0.00 0.00 175.17 173.25 1dkr s HIS 149 N 1.47 3.22 0.19 4.23 2.46 -1.26 -1.55 115.29 124.05 1dkr s HIS 149 Ca 0.03 -0.20 -0.10 0.00 0.47 0.00 0.00 55.06 55.26 1dkr s HIS 149 Cb -0.16 -2.60 -0.07 0.00 -0.13 0.00 0.00 32.58 29.62 1dkr s HIS 149 CO -0.00 -0.44 0.52 -0.51 -2.47 0.00 0.00 174.74 171.83 1dkr s LEU 150 N 1.87 4.23 0.02 8.88 1.43 0.12 -4.96 118.68 130.26 1dkr s LEU 150 Ca 0.09 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1dkr s LEU 150 Cb -0.17 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1dkr s LEU 150 CO 0.11 -0.00 -0.02 -0.04 0.23 0.00 0.00 176.35 176.63 1dkr s MET 151 N -2.56 2.67 -0.02 1.70 -1.94 -1.26 -0.84 119.30 117.04 1dkr s MET 151 Ca 0.44 -0.69 0.18 0.00 -1.71 0.00 0.00 55.69 53.91 1dkr s MET 151 Cb -0.12 -2.59 -0.27 0.00 2.01 0.00 0.00 34.83 33.86 1dkr s MET 151 CO 0.21 0.60 0.47 0.41 -0.01 0.00 0.00 175.02 176.70 1dkr n GLY 152 N 1.28 -0.81 0.33 -0.03 0.00 -1.26 -4.57 105.19 100.14 1dkr n GLY 152 Ca -0.14 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1dkr n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkr h VAL 153 N 0.00 0.70 -0.34 1.61 2.07 -2.00 0.95 116.25 119.25 1dkr h VAL 153 Ca 0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dkr h VAL 153 Cb 0.76 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1dkr h VAL 153 CO 0.00 0.12 0.19 -0.65 0.02 0.00 0.00 177.57 177.25 1dkr h PRO 154 N 0.68 0.46 -0.37 1.57 0.11 -1.99 0.10 132.00 132.57 1dkr h PRO 154 Ca 0.53 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.46 1dkr h PRO 154 Cb 0.79 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1dkr h PRO 154 CO -0.38 0.34 -0.29 0.82 -0.21 0.00 0.00 178.00 178.28 1dkr h ILE 155 N 0.46 1.28 -0.16 4.15 2.04 -1.11 -1.48 117.51 122.70 1dkr h ILE 155 Ca 0.12 -1.45 -0.18 0.00 1.00 0.00 0.00 64.86 64.35 1dkr h ILE 155 Cb 0.01 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1dkr h ILE 155 CO -0.02 0.48 -0.63 -0.07 0.00 0.00 0.00 178.15 177.91 1dkr h LEU 156 N 0.65 0.66 -1.07 1.44 3.38 -1.20 -3.18 115.31 116.00 1dkr h LEU 156 Ca 0.07 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1dkr h LEU 156 Cb 0.87 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1dkr h LEU 156 CO 0.08 1.13 -0.09 1.23 0.09 0.00 0.00 178.44 180.88 1dkr h GLY 157 N 1.01 0.61 0.90 0.83 0.00 -0.65 -2.82 103.07 102.94 1dkr h GLY 157 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1dkr h GLY 157 CO 0.12 0.38 0.05 -2.09 0.00 0.00 0.00 176.54 175.00 1dkr h GLU 158 N 0.52 0.53 -0.95 4.80 4.81 -1.25 -2.17 114.58 120.87 1dkr h GLU 158 Ca 0.10 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1dkr h GLU 158 Cb 0.47 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1dkr h GLU 158 CO 0.03 0.61 0.62 -0.92 -0.73 0.00 0.00 179.01 178.62 1dkr h TYR 159 N 0.36 1.17 -0.02 0.92 3.20 -1.51 -2.18 116.97 118.92 1dkr h TYR 159 Ca 0.10 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 1dkr h TYR 159 Cb 0.34 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1dkr h TYR 159 CO 0.02 0.70 -0.71 0.74 -1.64 0.00 0.00 178.16 177.27 1dkr h PHE 160 N 1.23 0.14 0.00 -3.82 0.04 -1.44 -2.69 116.94 110.41 1dkr h PHE 160 Ca 0.36 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1dkr h PHE 160 Cb -0.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1dkr h PHE 160 CO -0.01 0.77 -0.19 1.49 -0.60 0.00 0.00 178.31 179.78 1dkr h GLU 161 N 0.07 0.00 0.00 1.51 4.81 -0.92 -2.28 114.58 117.76 1dkr h GLU 161 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1dkr h GLU 161 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1dkr h GLU 161 CO 0.10 0.19 -0.80 0.78 -0.73 0.00 0.00 179.01 178.55 1dkr h GLY 162 N 0.87 0.00 -3.89 1.92 0.00 -1.11 -3.45 103.07 97.41 1dkr h GLY 162 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1dkr h GLY 162 CO 0.02 0.00 0.30 0.54 0.00 0.00 0.00 176.54 177.40 1dkr s LYS 163 N -3.26 4.77 -1.06 4.80 1.02 -0.86 -4.96 119.74 120.18 1dkr s LYS 163 Ca 0.03 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 1dkr s LYS 163 Cb 0.11 -3.28 0.25 0.00 -0.52 0.00 0.00 37.83 34.39 1dkr s LYS 163 CO 0.76 0.52 1.08 -0.80 -0.92 0.00 0.00 175.35 175.98 1dkr s ASN 164 N -1.10 7.17 -0.23 2.83 -0.87 -1.26 -4.94 114.94 116.54 1dkr s ASN 164 Ca 0.40 -3.31 -0.10 0.00 -1.57 0.00 0.00 52.86 48.27 1dkr s ASN 164 Cb -0.25 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.70 1dkr s ASN 164 CO 0.30 -0.41 0.14 -0.76 -2.57 0.00 0.00 177.10 173.80 1dkr s LEU 165 N -0.58 4.07 0.12 0.60 1.02 -1.26 -5.12 118.68 117.53 1dkr s LEU 165 Ca 0.29 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.54 1dkr s LEU 165 Cb -0.09 -2.08 -0.05 0.00 0.02 0.00 0.00 46.19 44.00 1dkr s LEU 165 CO -0.07 0.09 0.31 -1.61 0.02 0.00 0.00 176.35 175.09 1dkr s GLU 166 N 0.87 3.52 -0.73 1.70 8.01 -1.26 -4.74 118.70 126.07 1dkr s GLU 166 Ca 0.07 -0.31 -0.03 0.00 0.01 0.00 0.00 54.97 54.72 1dkr s GLU 166 Cb -0.13 -2.93 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1dkr s GLU 166 CO 0.03 0.51 0.66 -0.25 0.01 0.00 0.00 175.26 176.22 1dkr n ASP 167 N -0.01 -6.75 -4.68 -0.19 8.00 -1.26 -4.29 116.55 107.36 1dkr n ASP 167 Ca -0.04 -0.32 -0.29 0.00 0.71 0.00 0.00 54.79 54.85 1dkr n ASP 167 Cb 0.52 -3.97 -0.08 0.00 -0.02 0.00 0.00 41.12 37.57 1dkr n ASP 167 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1dkr s ILE 168 N -2.90 3.91 -0.03 0.53 -4.36 -1.26 0.29 121.20 117.38 1dkr s ILE 168 Ca 0.04 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1dkr s ILE 168 Cb -0.01 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 40.83 1dkr s ILE 168 CO 0.81 0.04 -0.01 0.54 0.24 0.00 0.00 174.94 176.55 1dkr s VAL 169 N -1.45 0.25 0.09 8.37 0.11 -0.62 -4.06 120.40 123.08 1dkr s VAL 169 Ca 0.26 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 59.13 1dkr s VAL 169 Cb -0.11 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1dkr s VAL 169 CO 0.18 0.17 0.70 -0.63 -3.33 0.00 0.00 175.10 172.19 1dkr s ILE 170 N 1.05 4.63 -0.14 7.04 -1.09 -0.19 -1.77 121.20 130.73 1dkr s ILE 170 Ca -0.09 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.86 1dkr s ILE 170 Cb -0.14 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1dkr s ILE 170 CO -0.01 0.47 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.28 1dkr s VAL 171 N -0.68 2.27 -0.21 2.92 1.01 0.57 -1.03 120.40 125.25 1dkr s VAL 171 Ca 0.34 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1dkr s VAL 171 Cb -0.21 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1dkr s VAL 171 CO 0.22 0.54 0.65 -0.55 0.00 0.00 0.00 175.10 175.96 1dkr s SER 172 N 0.77 6.67 0.12 3.32 0.15 -0.87 -2.13 113.70 121.73 1dkr s SER 172 Ca -0.07 0.82 0.10 0.00 0.70 0.00 0.00 55.95 57.49 1dkr s SER 172 Cb -0.16 -2.35 0.49 0.00 -1.71 0.00 0.00 66.02 62.29 1dkr s SER 172 CO -0.00 -0.31 1.29 -2.65 1.20 0.00 0.00 173.24 172.77 1dkr n PRO 173 N 5.27 0.06 -2.24 5.44 -0.02 -1.26 -1.60 135.00 140.64 1dkr n PRO 173 Ca -0.01 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 1dkr n PRO 173 Cb 0.49 -1.67 0.01 0.00 -0.02 0.00 0.00 33.50 32.32 1dkr n PRO 173 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1dkr n ASP 174 N -1.78 -0.79 0.18 2.55 5.68 -1.25 -4.57 116.55 116.57 1dkr n ASP 174 Ca -0.00 -1.49 0.03 0.00 -0.50 0.00 0.00 54.79 52.83 1dkr n ASP 174 Cb 0.04 1.30 0.35 0.00 -1.14 0.00 0.00 41.12 41.67 1dkr n ASP 174 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1dkr h HIS 175 N 1.39 0.00 -0.00 2.11 3.86 -1.89 -3.06 115.15 117.56 1dkr h HIS 175 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1dkr h HIS 175 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1dkr h HIS 175 CO 0.00 0.40 -0.23 0.41 0.86 0.00 0.00 177.93 179.36 1dkr n GLY 176 N -0.27 -1.26 1.11 2.45 0.00 -1.26 -4.20 105.19 101.77 1dkr n GLY 176 Ca -0.02 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1dkr n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkr n GLY 177 N 1.45 2.31 0.35 -0.02 0.00 -1.15 -4.60 105.19 103.53 1dkr n GLY 177 Ca 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1dkr n GLY 177 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkr h VAL 178 N 3.71 1.25 -0.67 1.61 2.07 -1.73 -0.90 116.25 121.59 1dkr h VAL 178 Ca 0.00 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1dkr h VAL 178 Cb 0.91 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1dkr h VAL 178 CO 0.00 0.29 0.24 0.74 0.02 0.00 0.00 177.57 178.86 1dkr h THR 179 N 1.21 1.25 -0.38 2.57 2.02 -1.91 -0.24 112.91 117.43 1dkr h THR 179 Ca 0.30 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1dkr h THR 179 Cb 0.05 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1dkr h THR 179 CO -0.05 0.32 -0.08 -0.09 0.37 0.00 0.00 175.52 175.99 1dkr h ARG 180 N 0.97 0.73 -0.85 6.66 2.43 -1.82 -2.50 114.38 120.01 1dkr h ARG 180 Ca 0.22 -0.27 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1dkr h ARG 180 Cb 0.25 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1dkr h ARG 180 CO -0.01 0.87 0.52 0.00 -1.51 0.00 0.00 179.97 179.84 1dkr h ALA 181 N 0.84 1.17 -0.01 2.80 0.00 -0.78 -1.75 119.26 121.53 1dkr h ALA 181 Ca 0.10 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1dkr h ALA 181 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dkr h ALA 181 CO 0.04 0.26 -0.54 -0.09 0.00 0.00 0.00 179.25 178.91 1dkr h ARG 182 N 0.95 0.03 -0.49 0.00 9.65 -0.90 0.84 114.38 124.47 1dkr h ARG 182 Ca 0.37 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 59.14 1dkr h ARG 182 Cb 0.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1dkr h ARG 182 CO -0.18 0.57 -0.07 0.87 2.80 0.00 0.00 179.97 183.96 1dkr h LYS 183 N 0.03 0.86 -0.20 0.20 1.57 -0.87 0.21 116.57 118.36 1dkr h LYS 183 Ca -0.00 -0.27 -0.18 0.00 -1.87 0.00 0.00 60.65 58.32 1dkr h LYS 183 Cb 0.97 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1dkr h LYS 183 CO 0.07 0.90 -0.59 1.25 -0.57 0.00 0.00 179.45 180.51 1dkr h LEU 184 N 0.78 0.75 -1.17 2.94 5.85 -0.99 -2.39 115.31 121.09 1dkr h LEU 184 Ca 0.14 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 1dkr h LEU 184 Cb 0.56 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1dkr h LEU 184 CO 0.03 1.17 -0.36 0.00 -0.34 0.00 0.00 178.44 178.95 1dkr h ALA 185 N 0.83 1.16 0.10 1.25 0.00 -0.40 -0.64 119.26 121.57 1dkr h ALA 185 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1dkr h ALA 185 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1dkr h ALA 185 CO 0.12 0.45 -0.05 -0.44 0.00 0.00 0.00 179.25 179.33 1dkr h ASP 186 N 0.00 -0.12 -0.57 0.00 3.32 -0.48 0.14 116.42 118.72 1dkr h ASP 186 Ca -0.00 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 56.73 1dkr h ASP 186 Cb 0.76 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1dkr h ASP 186 CO 0.05 0.37 0.38 -0.09 -1.72 0.00 0.00 179.24 178.23 1dkr h ARG 187 N -0.65 0.41 -0.05 3.56 9.65 -1.18 -2.13 114.38 124.00 1dkr h ARG 187 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1dkr h ARG 187 Cb 0.51 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1dkr h ARG 187 CO 0.02 0.27 0.00 1.28 2.80 0.00 0.00 179.97 184.34 1dkr n LEU 188 N -4.47 2.89 -3.15 3.80 4.32 -0.27 -4.96 117.00 115.16 1dkr n LEU 188 Ca 0.09 -1.03 -0.20 0.00 -0.02 0.00 0.00 56.01 54.86 1dkr n LEU 188 Cb 0.33 -0.01 0.07 0.00 -1.62 0.00 0.00 43.42 42.19 1dkr n LEU 188 CO 0.34 0.50 0.19 0.29 -1.22 0.00 0.00 177.39 177.49 1dkr n LYS 189 N 1.27 -6.67 -4.44 3.23 5.02 0.08 -5.01 118.16 111.64 1dkr n LYS 189 Ca 0.13 0.72 -0.23 0.00 -2.02 0.00 0.00 58.31 56.91 1dkr n LYS 189 Cb 0.56 -5.41 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 1dkr n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dkr s ALA 190 N -3.28 2.55 0.73 7.82 0.00 0.28 -5.04 121.76 124.83 1dkr s ALA 190 Ca 0.41 -1.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1dkr s ALA 190 Cb -0.18 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1dkr s ALA 190 CO 0.63 0.23 1.10 -1.25 0.00 0.00 0.00 175.76 176.47 1dkr s PRO 191 N -3.52 2.49 0.14 0.00 0.04 -1.26 -4.59 135.00 128.30 1dkr s PRO 191 Ca 0.28 0.24 0.10 0.00 0.04 0.00 0.00 61.00 61.66 1dkr s PRO 191 Cb -0.04 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1dkr s PRO 191 CO 0.13 -1.22 -0.24 0.96 0.04 0.00 0.00 177.00 176.67 1dkr s ILE 192 N -3.40 2.11 0.14 0.56 -4.36 -1.26 -1.02 121.20 113.97 1dkr s ILE 192 Ca 0.59 -1.79 0.03 0.00 -0.26 0.00 0.00 60.65 59.22 1dkr s ILE 192 Cb -0.11 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 1dkr s ILE 192 CO 0.50 -0.04 -0.06 0.00 0.24 0.00 0.00 174.94 175.58 1dkr s ALA 193 N -1.34 1.26 0.04 2.27 0.00 -0.20 -4.76 121.76 119.03 1dkr s ALA 193 Ca 0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1dkr s ALA 193 Cb -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1dkr s ALA 193 CO 0.07 -0.20 0.01 0.96 0.00 0.00 0.00 175.76 176.60 1dkr s ILE 194 N -3.52 0.15 -0.13 0.00 -4.36 0.33 -2.05 121.20 111.63 1dkr s ILE 194 Ca 0.17 -1.26 -0.12 0.00 -0.26 0.00 0.00 60.65 59.18 1dkr s ILE 194 Cb 0.04 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.83 1dkr s ILE 194 CO -0.00 -0.69 0.27 -0.63 0.24 0.00 0.00 174.94 174.13 1dkr s ILE 195 N -2.63 5.30 -0.71 8.37 -1.09 -0.63 -0.02 121.20 129.80 1dkr s ILE 195 Ca -0.05 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 1dkr s ILE 195 Cb -0.01 -3.59 0.17 0.00 -1.58 0.00 0.00 42.46 37.45 1dkr s ILE 195 CO -0.05 0.47 0.50 -0.62 -1.23 0.00 0.00 174.94 174.01 1dkr s ASP 196 N -0.11 4.81 -0.22 3.58 2.15 0.27 -3.97 116.67 123.19 1dkr s ASP 196 Ca 0.17 -3.87 -0.25 0.00 0.43 0.00 0.00 52.55 49.03 1dkr s ASP 196 Cb -0.13 -1.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.85 1dkr s ASP 196 CO 0.05 -0.08 0.83 -0.75 -0.17 0.00 0.00 175.17 175.05 1dkr s LYS 197 N -1.47 4.21 0.00 4.34 2.36 -1.26 -0.17 119.74 127.75 1dkr s LYS 197 Ca 0.25 0.97 0.00 0.00 -2.55 0.00 0.00 55.97 54.64 1dkr s LYS 197 Cb -0.04 -3.63 0.00 0.00 -1.05 0.00 0.00 37.83 33.11 1dkr s LYS 197 CO -0.17 -0.47 0.00 -2.13 1.55 0.00 0.00 175.35 174.13 1dkr n ARG 198 N 5.81 3.51 -3.86 4.03 3.00 -1.26 -4.97 116.66 122.93 1dkr n ARG 198 Ca 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.61 1dkr n ARG 198 Cb 0.48 -0.99 -0.14 0.00 0.00 0.00 0.00 32.46 31.81 1dkr n ARG 198 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1dkr s MET 208 N -1.98 1.72 0.05 -0.14 1.75 -1.26 -5.30 119.30 114.14 1dkr s MET 208 Ca 0.00 -2.41 0.00 0.00 -1.25 0.00 0.00 55.69 52.03 1dkr s MET 208 Cb 0.00 -2.94 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 1dkr s MET 208 CO 0.00 -1.13 0.17 -0.80 -0.65 0.00 0.00 175.02 172.60 1dkr s ASN 209 N -0.08 6.14 -0.41 1.11 0.01 0.76 -4.85 114.94 117.61 1dkr s ASN 209 Ca 0.17 0.22 -0.18 0.00 -0.71 0.00 0.00 52.86 52.37 1dkr s ASN 209 Cb -0.25 -1.84 0.02 0.00 0.41 0.00 0.00 41.25 39.59 1dkr s ASN 209 CO -0.00 0.19 0.46 -0.63 -1.51 0.00 0.00 177.10 175.61 1dkr s ILE 210 N -1.43 5.06 -0.40 0.60 1.01 -1.26 0.97 121.20 125.75 1dkr s ILE 210 Ca 0.32 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1dkr s ILE 210 Cb -0.13 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1dkr s ILE 210 CO 0.24 -0.39 0.39 -0.69 0.00 0.00 0.00 174.94 174.49 1dkr s VAL 211 N 2.22 5.14 0.00 2.92 1.01 0.97 -4.95 120.40 127.72 1dkr s VAL 211 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1dkr s VAL 211 Cb -0.17 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1dkr s VAL 211 CO 0.14 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1dkr n GLY 212 N 5.10 3.13 3.61 4.51 0.00 -1.26 -0.51 105.19 119.77 1dkr n GLY 212 Ca -0.09 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1dkr n GLY 212 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dkr s ASN 213 N 0.00 6.73 -0.01 1.61 2.47 -1.26 -4.88 114.94 119.59 1dkr s ASN 213 Ca 0.00 0.72 0.02 0.00 0.42 0.00 0.00 52.86 54.02 1dkr s ASN 213 Cb 0.00 -2.46 0.03 0.00 -1.45 0.00 0.00 41.25 37.37 1dkr s ASN 213 CO 0.00 -0.76 0.83 2.30 -3.72 0.00 0.00 177.10 175.75 1dkr n ILE 214 N 5.76 0.62 -1.96 -5.21 -6.64 -1.26 -4.93 119.36 105.74 1dkr n ILE 214 Ca 0.07 -0.66 -0.43 0.00 -1.77 0.00 0.00 62.75 59.96 1dkr n ILE 214 Cb 0.48 0.61 -0.03 0.00 -1.44 0.00 0.00 39.64 39.27 1dkr n ILE 214 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1dkr s GLU 215 N -0.72 3.79 0.00 6.28 0.41 -1.26 -2.30 118.70 124.90 1dkr s GLU 215 Ca 0.03 1.92 0.00 0.00 -0.41 0.00 0.00 54.97 56.52 1dkr s GLU 215 Cb 0.03 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.28 1dkr s GLU 215 CO 0.00 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 1dkr n GLY 216 N 4.74 2.25 3.85 -1.39 0.00 0.21 -4.93 105.19 109.93 1dkr n GLY 216 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1dkr n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkr s LYS 217 N -0.02 3.81 -0.39 1.61 1.02 -0.97 -3.91 119.74 120.88 1dkr s LYS 217 Ca 0.00 0.87 -0.19 0.00 0.02 0.00 0.00 55.97 56.67 1dkr s LYS 217 Cb 0.00 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1dkr s LYS 217 CO 0.00 -0.38 0.55 0.99 -0.92 0.00 0.00 175.35 175.59 1dkr s THR 218 N -2.84 4.96 0.01 2.17 2.01 0.15 0.71 115.64 122.80 1dkr s THR 218 Ca 0.57 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 1dkr s THR 218 Cb -0.10 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1dkr s THR 218 CO 0.40 -0.39 0.43 0.00 -0.69 0.00 0.00 174.62 174.37 1dkr s ALA 219 N 2.51 3.69 -0.24 7.40 0.00 0.15 -1.58 121.76 133.68 1dkr s ALA 219 Ca 0.19 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1dkr s ALA 219 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.62 1dkr s ALA 219 CO 0.15 0.48 -0.08 0.42 0.00 0.00 0.00 175.76 176.73 1dkr s ILE 220 N -1.10 1.82 -0.11 0.00 1.01 -0.73 -0.57 121.20 121.52 1dkr s ILE 220 Ca 0.25 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 1dkr s ILE 220 Cb -0.17 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1dkr s ILE 220 CO 0.14 -0.06 0.83 -0.76 0.00 0.00 0.00 174.94 175.09 1dkr s LEU 221 N 1.26 4.25 -0.01 2.97 1.43 -0.38 -0.32 118.68 127.89 1dkr s LEU 221 Ca -0.07 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1dkr s LEU 221 Cb -0.19 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1dkr s LEU 221 CO -0.06 -0.30 -0.16 -0.51 0.23 0.00 0.00 176.35 175.56 1dkr s ILE 222 N 1.57 1.23 0.20 -0.59 2.07 -0.91 -1.07 121.20 123.70 1dkr s ILE 222 Ca 0.41 -0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 58.87 1dkr s ILE 222 Cb -0.18 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.38 1dkr s ILE 222 CO 0.17 0.33 0.35 -0.62 -1.91 0.00 0.00 174.94 173.27 1dkr s ASP 223 N -0.40 -0.02 -0.04 4.50 -1.08 -0.74 -4.33 116.67 114.56 1dkr s ASP 223 Ca 0.06 -0.93 -0.16 0.00 -0.52 0.00 0.00 52.55 50.99 1dkr s ASP 223 Cb -0.06 0.49 -0.31 0.00 -1.46 0.00 0.00 42.92 41.58 1dkr s ASP 223 CO -0.00 -0.99 0.77 -2.24 0.52 0.00 0.00 175.17 173.22 1dkr h ASP 224 N 2.42 0.58 -3.98 -0.34 2.03 -1.95 -3.28 116.42 111.90 1dkr h ASP 224 Ca -0.30 -0.91 -0.56 0.00 -0.73 0.00 0.00 57.03 54.52 1dkr h ASP 224 Cb 1.24 -0.19 -0.31 0.00 -0.83 0.00 0.00 39.33 39.24 1dkr h ASP 224 CO 0.43 1.64 -0.84 -0.63 -1.03 0.00 0.00 179.24 178.81 1dkr s ILE 225 N -2.52 1.43 -0.33 4.15 1.01 -1.26 -0.60 121.20 123.09 1dkr s ILE 225 Ca -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1dkr s ILE 225 Cb 0.04 -1.22 0.08 0.00 0.01 0.00 0.00 42.46 41.36 1dkr s ILE 225 CO 0.85 0.41 0.03 -0.63 0.00 0.00 0.00 174.94 175.60 1dkr s ILE 226 N -0.05 2.65 0.00 2.92 1.01 -0.89 -5.00 121.20 121.84 1dkr s ILE 226 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1dkr s ILE 226 Cb -0.11 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1dkr s ILE 226 CO 0.02 -0.36 0.00 -0.67 0.00 0.00 0.00 174.94 173.92 1dkr n ASP 227 N 4.46 0.00 0.03 3.58 -0.08 -1.26 -0.17 116.55 123.11 1dkr n ASP 227 Ca -0.06 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.36 1dkr n ASP 227 Cb 0.42 0.00 0.48 0.00 2.34 0.00 0.00 41.12 44.36 1dkr n ASP 227 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1dkr n THR 228 N 0.00 0.17 -0.99 5.18 -2.24 -1.26 -1.60 114.28 113.54 1dkr n THR 228 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1dkr n THR 228 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1dkr n THR 228 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dkr n ALA 229 N -1.59 0.00 0.08 6.98 0.00 -1.26 -3.69 120.51 121.03 1dkr n ALA 229 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1dkr n ALA 229 Cb 0.37 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1dkr n ALA 229 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dkr h GLY 230 N 0.00 -0.18 0.22 0.00 0.00 -1.94 -1.75 103.07 99.41 1dkr h GLY 230 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1dkr h GLY 230 CO 0.00 -0.07 -0.16 -0.84 0.00 0.00 0.00 176.54 175.47 1dkr h THR 231 N -0.39 0.52 -0.32 4.70 2.02 -1.99 -0.54 112.91 116.90 1dkr h THR 231 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1dkr h THR 231 Cb 0.32 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1dkr h THR 231 CO 0.03 0.00 0.03 -0.29 0.37 0.00 0.00 175.52 175.66 1dkr h ILE 232 N -0.12 1.25 -0.39 3.11 6.09 -1.95 -0.75 117.51 124.75 1dkr h ILE 232 Ca 0.16 -0.88 -0.13 0.00 -1.37 0.00 0.00 64.86 62.64 1dkr h ILE 232 Cb 0.36 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 1dkr h ILE 232 CO -0.38 0.29 -0.25 0.71 -3.07 0.00 0.00 178.15 175.45 1dkr h THR 233 N 0.37 1.28 -0.21 2.19 1.35 -1.19 0.55 112.91 117.25 1dkr h THR 233 Ca 0.10 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 1dkr h THR 233 Cb 0.39 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1dkr h THR 233 CO 0.01 0.47 0.10 -0.07 -0.25 0.00 0.00 175.52 175.78 1dkr h LEU 234 N 0.66 0.27 -0.35 3.87 4.07 -1.07 0.53 115.31 123.29 1dkr h LEU 234 Ca 0.08 -0.13 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1dkr h LEU 234 Cb 0.82 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.44 1dkr h LEU 234 CO 0.07 0.32 0.06 0.00 -1.08 0.00 0.00 178.44 177.81 1dkr h ALA 235 N 0.96 0.37 -0.64 1.53 0.00 -0.92 -0.36 119.26 120.20 1dkr h ALA 235 Ca 0.07 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1dkr h ALA 235 Cb 0.12 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1dkr h ALA 235 CO -0.01 -0.35 0.26 0.00 0.00 0.00 0.00 179.25 179.15 1dkr h ALA 236 N 1.27 0.85 -0.54 0.00 0.00 -0.23 0.18 119.26 120.79 1dkr h ALA 236 Ca 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1dkr h ALA 236 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1dkr h ALA 236 CO -0.23 -0.16 0.17 -0.91 0.00 0.00 0.00 179.25 178.11 1dkr h ASN 237 N 0.45 0.78 -0.50 0.00 -0.26 -0.43 -2.18 115.58 113.44 1dkr h ASN 237 Ca 0.32 -0.21 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1dkr h ASN 237 Cb 0.39 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1dkr h ASN 237 CO -0.30 0.78 0.13 0.00 -1.06 0.00 0.00 177.43 176.98 1dkr h ALA 238 N 1.03 1.19 0.00 -0.83 0.00 0.18 -2.12 119.26 118.71 1dkr h ALA 238 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dkr h ALA 238 Cb 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1dkr h ALA 238 CO -0.01 0.55 -0.00 -0.07 0.00 0.00 0.00 179.25 179.73 1dkr h LEU 239 N 0.82 -0.00 -1.53 0.00 3.38 -0.30 -2.84 115.31 114.84 1dkr h LEU 239 Ca 0.18 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1dkr h LEU 239 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1dkr h LEU 239 CO -0.00 0.25 0.38 0.58 0.09 0.00 0.00 178.44 179.74 1dkr h VAL 240 N -0.26 1.01 -0.37 1.22 2.07 -1.24 0.18 116.25 118.87 1dkr h VAL 240 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1dkr h VAL 240 Cb 0.26 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1dkr h VAL 240 CO 0.00 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 175.86 1dkr n GLU 241 N -4.47 2.66 -0.17 1.57 0.28 -0.81 -3.47 120.64 116.23 1dkr n GLU 241 Ca 0.08 -1.65 0.07 0.00 -0.16 0.00 0.00 57.16 55.50 1dkr n GLU 241 Cb 0.21 -1.67 0.10 0.00 1.43 0.00 0.00 31.44 31.52 1dkr n GLU 241 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1dkr n ASN 242 N 0.51 1.76 0.00 -1.84 3.02 0.03 -5.01 115.26 113.74 1dkr n ASN 242 Ca 0.15 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 1dkr n ASN 242 Cb 0.59 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1dkr n ASN 242 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dkr n GLY 243 N -1.06 0.43 3.72 7.41 0.00 -1.15 -4.52 105.19 110.03 1dkr n GLY 243 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1dkr n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkr n ALA 244 N -1.44 2.42 -0.09 4.61 0.00 -1.09 0.65 120.51 125.57 1dkr n ALA 244 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 1dkr n ALA 244 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 1dkr n ALA 244 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1dkr h LYS 245 N 5.42 0.44 -2.64 0.00 3.64 0.16 -3.43 116.57 120.16 1dkr h LYS 245 Ca -0.45 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 1dkr h LYS 245 Cb 1.22 -0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.85 1dkr h LYS 245 CO 0.85 0.59 0.21 -1.83 -2.27 0.00 0.00 179.45 177.00 1dkr s GLU 246 N -5.07 1.20 -0.10 1.90 -1.05 -1.21 -4.99 118.70 109.37 1dkr s GLU 246 Ca -0.14 -0.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.50 1dkr s GLU 246 Cb 0.08 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.33 1dkr s GLU 246 CO 0.74 -0.48 -0.21 0.08 0.95 0.00 0.00 175.26 176.35 1dkr s VAL 247 N -2.85 1.86 0.27 1.83 1.01 -1.26 0.31 120.40 121.58 1dkr s VAL 247 Ca -0.03 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1dkr s VAL 247 Cb -0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1dkr s VAL 247 CO -0.05 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.21 1dkr s TYR 248 N 0.55 2.60 -0.12 5.22 2.02 0.26 0.58 117.35 128.46 1dkr s TYR 248 Ca -0.15 -0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 1dkr s TYR 248 Cb -0.17 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1dkr s TYR 248 CO 0.05 0.64 0.31 0.00 -1.57 0.00 0.00 175.55 174.97 1dkr s ALA 249 N -2.37 -0.75 0.06 3.71 0.00 -1.02 -1.25 121.76 120.14 1dkr s ALA 249 Ca 0.31 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 1dkr s ALA 249 Cb -0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1dkr s ALA 249 CO 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 175.76 175.92 1dkr h THR 252 N 2.13 1.13 -3.61 0.00 2.02 -1.31 -3.33 112.91 109.95 1dkr h THR 252 Ca -0.28 -2.29 -0.70 0.00 0.77 0.00 0.00 66.41 63.92 1dkr h THR 252 Cb 1.27 2.63 -0.23 0.00 -1.74 0.00 0.00 68.15 70.08 1dkr h THR 252 CO 0.35 0.51 -0.51 -1.00 0.37 0.00 0.00 175.52 175.24 1dkr s HIS 253 N -2.37 3.22 -1.09 3.16 3.76 0.23 -2.66 115.29 119.54 1dkr s HIS 253 Ca -0.24 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 53.80 1dkr s HIS 253 Cb 0.04 -2.44 0.15 0.00 1.11 0.00 0.00 32.58 31.43 1dkr s HIS 253 CO 0.67 -0.55 1.32 -1.25 -0.85 0.00 0.00 174.74 174.08 1dkr s PRO 254 N 1.61 3.87 0.08 8.40 0.04 -1.26 -2.10 135.00 145.64 1dkr s PRO 254 Ca 0.04 -2.18 -0.16 0.00 0.04 0.00 0.00 61.00 58.74 1dkr s PRO 254 Cb -0.18 -5.04 -0.11 0.00 0.04 0.00 0.00 34.50 29.21 1dkr s PRO 254 CO 0.07 -1.81 1.38 0.28 0.04 0.00 0.00 177.00 176.96 1dkr h VAL 255 N 5.25 1.32 -6.52 -0.36 2.07 -1.58 -3.46 116.25 112.97 1dkr h VAL 255 Ca 0.25 -1.51 -0.42 0.00 0.82 0.00 0.00 66.70 65.85 1dkr h VAL 255 Cb 0.94 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1dkr h VAL 255 CO 1.20 0.47 -0.90 0.18 0.02 0.00 0.00 177.57 178.55 1dkr n LEU 256 N -4.29 -1.27 -4.93 2.57 4.77 0.76 -4.93 117.00 109.68 1dkr n LEU 256 Ca -0.05 -0.84 -0.20 0.00 -0.03 0.00 0.00 56.01 54.90 1dkr n LEU 256 Cb 0.48 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1dkr n LEU 256 CO 0.44 0.38 0.06 -0.94 -1.33 0.00 0.00 177.39 176.01 1dkr s SER 257 N -2.93 5.23 1.03 -1.43 1.04 -0.63 -4.76 113.70 111.25 1dkr s SER 257 Ca 0.05 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1dkr s SER 257 Cb -0.03 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1dkr s SER 257 CO 0.74 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1dkr n GLY 258 N -1.68 2.88 0.05 7.32 0.00 -1.26 -1.68 105.19 110.82 1dkr n GLY 258 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1dkr n GLY 258 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dkr n PRO 259 N 14.00 1.02 -0.28 1.61 -0.04 -1.26 -4.48 135.00 145.57 1dkr n PRO 259 Ca 0.00 -0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 1dkr n PRO 259 Cb 0.00 -1.04 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1dkr n PRO 259 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dkr h ALA 260 N 2.94 -0.50 -0.46 0.55 0.00 -1.40 -1.38 119.26 119.01 1dkr h ALA 260 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1dkr h ALA 260 Cb 0.04 1.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1dkr h ALA 260 CO 0.00 -0.80 -0.18 0.28 0.00 0.00 0.00 179.25 178.55 1dkr h VAL 261 N -0.08 0.42 -0.29 0.00 2.07 -1.84 -1.53 116.25 115.01 1dkr h VAL 261 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1dkr h VAL 261 Cb 0.36 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1dkr h VAL 261 CO -0.68 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 176.98 1dkr h GLU 262 N -0.08 0.30 -0.66 1.57 4.57 -1.75 -0.49 114.58 118.04 1dkr h GLU 262 Ca 0.22 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1dkr h GLU 262 Cb 0.42 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1dkr h GLU 262 CO -0.52 0.20 0.44 0.00 -1.18 0.00 0.00 179.01 177.95 1dkr h ARG 263 N 0.31 0.65 0.05 1.92 3.08 -0.69 -1.83 114.38 117.88 1dkr h ARG 263 Ca 0.12 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1dkr h ARG 263 Cb 0.03 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 29.95 1dkr h ARG 263 CO -0.07 0.43 -1.12 0.82 -1.07 0.00 0.00 179.97 178.96 1dkr h ILE 264 N 0.67 1.31 -0.23 2.04 2.04 -0.57 -2.60 117.51 120.17 1dkr h ILE 264 Ca 0.28 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.71 1dkr h ILE 264 Cb 0.26 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1dkr h ILE 264 CO -0.09 0.73 -0.05 0.78 0.00 0.00 0.00 178.15 179.52 1dkr h ASN 265 N 0.31 0.33 0.40 1.72 2.35 -0.52 -2.60 115.58 117.59 1dkr h ASN 265 Ca -0.15 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1dkr h ASN 265 Cb 1.78 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1dkr h ASN 265 CO 0.21 0.43 -0.56 0.59 -1.65 0.00 0.00 177.43 176.45 1dkr n ASN 266 N -4.30 0.62 -3.70 5.81 3.02 -0.74 -4.97 115.26 111.01 1dkr n ASN 266 Ca 0.00 -0.41 -0.30 0.00 -0.03 0.00 0.00 54.58 53.83 1dkr n ASN 266 Cb 0.24 0.36 0.24 0.00 -0.61 0.00 0.00 39.78 40.01 1dkr n ASN 266 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1dkr s SER 267 N -2.97 0.88 0.00 6.41 1.04 -0.98 -4.93 113.70 113.15 1dkr s SER 267 Ca 0.11 0.50 0.21 0.00 0.48 0.00 0.00 55.95 57.25 1dkr s SER 267 Cb 0.17 -0.65 0.76 0.00 0.10 0.00 0.00 66.02 66.40 1dkr s SER 267 CO 0.71 -4.13 1.55 0.35 0.98 0.00 0.00 173.24 172.70 1dkr n THR 268 N -4.75 0.20 -1.86 2.02 -2.24 -1.26 -4.90 114.28 101.50 1dkr n THR 268 Ca 0.15 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1dkr n THR 268 Cb 0.60 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1dkr n THR 268 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dkr s ILE 269 N -1.80 3.31 0.15 2.28 1.01 -1.26 -4.47 121.20 120.42 1dkr s ILE 269 Ca 0.33 0.32 -0.17 0.00 0.00 0.00 0.00 60.65 61.13 1dkr s ILE 269 Cb 0.18 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1dkr s ILE 269 CO 0.27 -0.24 1.72 0.50 0.00 0.00 0.00 174.94 177.19 1dkr h LYS 270 N 13.37 0.16 -2.74 2.79 3.64 -0.22 -3.44 116.57 130.13 1dkr h LYS 270 Ca -0.37 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 1dkr h LYS 270 Cb 1.19 -0.04 -0.23 0.00 -0.41 0.00 0.00 32.23 32.75 1dkr h LYS 270 CO 1.00 0.10 -0.22 -2.00 -2.27 0.00 0.00 179.45 176.06 1dkr s GLU 271 N -6.17 0.53 -0.17 1.90 2.12 -1.26 -4.73 118.70 110.91 1dkr s GLU 271 Ca -0.13 0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 1dkr s GLU 271 Cb 0.12 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 1dkr s GLU 271 CO 0.70 -0.08 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.15 1dkr s LEU 272 N -0.01 3.22 -0.16 2.70 2.96 0.25 -2.45 118.68 125.19 1dkr s LEU 272 Ca -0.02 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1dkr s LEU 272 Cb -0.03 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1dkr s LEU 272 CO 0.01 0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.37 1dkr s VAL 273 N 0.63 3.03 0.30 1.68 1.01 -0.23 -0.82 120.40 125.98 1dkr s VAL 273 Ca -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1dkr s VAL 273 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1dkr s VAL 273 CO 0.02 0.49 0.12 0.68 0.00 0.00 0.00 175.10 176.42 1dkr s VAL 274 N 0.81 0.51 0.50 2.92 -7.23 -0.45 -2.20 120.40 115.26 1dkr s VAL 274 Ca -0.04 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1dkr s VAL 274 Cb -0.15 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1dkr s VAL 274 CO 0.01 0.00 0.39 0.42 -0.31 0.00 0.00 175.10 175.60 1dkr s THR 275 N -3.61 2.01 -0.46 5.32 -4.23 -1.09 -0.27 115.64 113.31 1dkr s THR 275 Ca 0.36 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1dkr s THR 275 Cb 0.06 -2.47 0.52 0.00 1.34 0.00 0.00 72.50 71.95 1dkr s THR 275 CO 0.15 0.00 1.89 -0.46 -0.54 0.00 0.00 174.62 175.66 1dkr n ASN 276 N -1.67 4.99 0.27 3.99 6.94 -0.45 -4.52 115.26 124.81 1dkr n ASN 276 Ca 0.01 -3.48 0.15 0.00 -0.02 0.00 0.00 54.58 51.24 1dkr n ASN 276 Cb 0.64 -0.87 0.69 0.00 -2.36 0.00 0.00 39.78 37.87 1dkr n ASN 276 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1dkr h SER 277 N 1.23 0.00 -3.81 0.53 4.64 -1.88 -3.41 113.55 110.85 1dkr h SER 277 Ca 0.55 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.36 1dkr h SER 277 Cb 2.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.77 1dkr h SER 277 CO 1.12 0.08 -0.82 -0.63 -0.87 0.00 0.00 176.83 175.71 1dkr s ILE 278 N -3.80 1.16 0.39 0.95 1.01 -1.26 -4.25 121.20 115.41 1dkr s ILE 278 Ca -0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 1dkr s ILE 278 Cb 0.10 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 1dkr s ILE 278 CO 0.56 0.35 1.48 -0.75 0.00 0.00 0.00 174.94 176.58 1dkr s LYS 279 N 0.17 4.03 0.31 2.79 2.20 -1.26 -4.81 119.74 123.16 1dkr s LYS 279 Ca -0.05 2.56 -0.23 0.00 -0.36 0.00 0.00 55.97 57.89 1dkr s LYS 279 Cb -0.11 -2.91 -0.09 0.00 -1.51 0.00 0.00 37.83 33.21 1dkr s LYS 279 CO 0.02 -0.60 0.87 -0.51 -0.36 0.00 0.00 175.35 174.77 1dkr s LEU 280 N -2.22 4.27 -0.14 5.43 1.02 -1.26 -4.95 118.68 120.84 1dkr s LEU 280 Ca 0.54 1.65 -0.34 0.00 0.02 0.00 0.00 54.13 56.00 1dkr s LEU 280 Cb -0.46 -3.97 -0.11 0.00 0.02 0.00 0.00 46.19 41.67 1dkr s LEU 280 CO 0.62 -0.09 1.93 -0.81 0.02 0.00 0.00 176.35 178.03 1dkr n PRO 281 N 0.37 2.01 -0.24 1.29 -0.04 -1.26 -4.76 135.00 132.37 1dkr n PRO 281 Ca 0.01 0.71 0.04 0.00 -0.04 0.00 0.00 63.50 64.23 1dkr n PRO 281 Cb 0.51 -2.64 0.16 0.00 -0.04 0.00 0.00 33.50 31.49 1dkr n PRO 281 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1dkr h GLU 282 N 9.87 0.37 0.00 0.54 4.57 -2.03 -3.36 114.58 124.54 1dkr h GLU 282 Ca -0.46 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1dkr h GLU 282 Cb 1.28 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1dkr h GLU 282 CO 0.96 0.24 0.00 0.39 -1.18 0.00 0.00 179.01 179.42 1dkr n GLU 283 N -5.05 0.00 -2.43 1.92 1.02 -1.26 -4.84 120.64 109.99 1dkr n GLU 283 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 1dkr n GLU 283 Cb 0.39 -0.43 -0.04 0.00 -0.02 0.00 0.00 31.44 31.34 1dkr n GLU 283 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dkr s LYS 284 N 0.00 4.61 -0.10 3.49 1.02 -1.26 -5.08 119.74 122.42 1dkr s LYS 284 Ca 0.00 1.85 -0.02 0.00 0.02 0.00 0.00 55.97 57.82 1dkr s LYS 284 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1dkr s LYS 284 CO 0.00 0.17 -0.02 0.21 -0.92 0.00 0.00 175.35 174.79 1dkr s LYS 285 N -1.49 3.15 -0.15 1.68 2.20 -1.26 -4.68 119.74 119.18 1dkr s LYS 285 Ca 0.45 -0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 55.44 1dkr s LYS 285 Cb -0.33 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1dkr s LYS 285 CO 0.42 0.57 0.43 0.42 -0.36 0.00 0.00 175.35 176.83 1dkr s ILE 286 N -0.52 5.20 -0.01 5.43 1.01 -1.26 -4.95 121.20 126.09 1dkr s ILE 286 Ca 0.09 0.82 -0.16 0.00 0.00 0.00 0.00 60.65 61.39 1dkr s ILE 286 Cb -0.12 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1dkr s ILE 286 CO 0.02 0.30 0.77 -0.33 0.00 0.00 0.00 174.94 175.70 1dkr h GLU 287 N 6.94 -0.56 -4.06 2.79 5.08 -1.94 -3.39 114.58 119.44 1dkr h GLU 287 Ca -0.39 0.04 -0.77 0.00 -1.00 0.00 0.00 59.36 57.24 1dkr h GLU 287 Cb 1.17 0.13 -0.24 0.00 0.50 0.00 0.00 28.75 30.30 1dkr h GLU 287 CO 0.75 -0.38 0.05 1.03 -1.00 0.00 0.00 179.01 179.46 1dkr s ARG 288 N -3.54 3.37 0.02 2.33 3.00 -1.26 -5.02 118.95 117.86 1dkr s ARG 288 Ca -0.09 -2.09 -0.11 0.00 0.00 0.00 0.00 55.73 53.44 1dkr s ARG 288 Cb 0.01 -4.41 0.01 0.00 0.00 0.00 0.00 34.95 30.56 1dkr s ARG 288 CO 0.26 -1.36 0.23 0.12 0.00 0.00 0.00 175.30 174.55 1dkr s PHE 289 N 0.98 -0.03 -0.03 -0.53 2.19 -1.26 -0.58 117.98 118.72 1dkr s PHE 289 Ca 0.14 -0.10 -0.01 0.00 0.33 0.00 0.00 56.93 57.30 1dkr s PHE 289 Cb -0.17 0.02 0.03 0.00 -1.31 0.00 0.00 43.02 41.59 1dkr s PHE 289 CO -0.04 -0.41 0.04 0.21 1.83 0.00 0.00 175.22 176.85 1dkr s LYS 290 N -2.13 -0.05 -0.20 10.12 2.47 -0.00 -4.91 119.74 125.05 1dkr s LYS 290 Ca -0.08 0.25 -0.02 0.00 -1.56 0.00 0.00 55.97 54.56 1dkr s LYS 290 Cb -0.03 -0.34 -0.00 0.00 -1.46 0.00 0.00 37.83 35.99 1dkr s LYS 290 CO -0.01 -0.23 -0.08 -1.14 0.16 0.00 0.00 175.35 174.05 1dkr s GLN 291 N 1.46 3.31 0.06 4.03 0.74 -1.26 -1.35 119.66 126.66 1dkr s GLN 291 Ca -0.04 -0.67 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 1dkr s GLN 291 Cb -0.13 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 1dkr s GLN 291 CO -0.03 -0.13 0.27 -0.51 -0.55 0.00 0.00 175.29 174.33 1dkr s LEU 292 N 1.27 4.34 -0.12 3.68 1.43 0.62 -4.92 118.68 124.98 1dkr s LEU 292 Ca 0.03 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1dkr s LEU 292 Cb -0.14 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 1dkr s LEU 292 CO -0.04 0.17 0.27 -0.55 0.23 0.00 0.00 176.35 176.44 1dkr s SER 293 N -2.20 6.49 0.00 2.29 0.15 -1.26 -1.34 113.70 117.83 1dkr s SER 293 Ca 0.34 0.58 0.24 0.00 0.70 0.00 0.00 55.95 57.81 1dkr s SER 293 Cb -0.13 -2.16 0.56 0.00 -1.71 0.00 0.00 66.02 62.58 1dkr s SER 293 CO 0.23 0.24 1.47 1.33 1.20 0.00 0.00 173.24 177.70 1dkr n VAL 294 N 2.76 0.14 -0.09 4.45 0.24 -1.26 -4.45 118.33 120.12 1dkr n VAL 294 Ca -0.15 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.34 61.61 1dkr n VAL 294 Cb 0.53 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 1dkr n VAL 294 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1dkr h GLY 295 N 4.77 -0.24 1.12 7.63 0.00 -1.93 -1.30 103.07 113.12 1dkr h GLY 295 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1dkr h GLY 295 CO 0.00 -0.21 0.48 -2.55 0.00 0.00 0.00 176.54 174.26 1dkr h PRO 296 N -0.27 1.16 0.16 4.80 0.11 -1.94 -1.62 132.00 134.41 1dkr h PRO 296 Ca 0.16 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1dkr h PRO 296 Cb 0.52 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1dkr h PRO 296 CO -0.48 0.84 -0.11 1.25 -0.21 0.00 0.00 178.00 179.28 1dkr h LEU 297 N 1.17 -0.28 -0.48 2.35 5.85 -1.69 -1.50 115.31 120.73 1dkr h LEU 297 Ca 0.30 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 1dkr h LEU 297 Cb -0.00 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1dkr h LEU 297 CO -0.05 -0.18 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.79 1dkr h LEU 298 N -0.28 0.83 -0.67 2.25 3.38 -1.12 -0.38 115.31 119.32 1dkr h LEU 298 Ca -0.01 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1dkr h LEU 298 Cb 0.24 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1dkr h LEU 298 CO 0.00 0.95 0.39 0.00 0.09 0.00 0.00 178.44 179.87 1dkr h ALA 299 N 0.92 0.90 -0.50 1.53 0.00 -1.23 0.78 119.26 121.65 1dkr h ALA 299 Ca 0.13 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1dkr h ALA 299 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dkr h ALA 299 CO 0.03 0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.75 1dkr h GLU 300 N 0.73 0.93 -0.46 0.00 4.57 -1.04 -2.08 114.58 117.22 1dkr h GLU 300 Ca 0.29 -0.33 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 1dkr h GLU 300 Cb 0.14 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1dkr h GLU 300 CO -0.16 0.98 -0.22 0.00 -1.18 0.00 0.00 179.01 178.43 1dkr h ALA 301 N 1.04 0.73 -0.11 2.92 0.00 -0.36 -2.13 119.26 121.35 1dkr h ALA 301 Ca 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1dkr h ALA 301 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dkr h ALA 301 CO 0.04 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.84 1dkr h ILE 302 N 0.82 1.00 -0.11 0.00 2.04 -0.70 -0.95 117.51 119.61 1dkr h ILE 302 Ca 0.11 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1dkr h ILE 302 Cb 0.79 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1dkr h ILE 302 CO 0.07 0.02 0.00 0.40 0.00 0.00 0.00 178.15 178.64 1dkr h ILE 303 N 0.12 0.93 -0.32 -0.67 2.04 -1.24 -0.61 117.51 117.76 1dkr h ILE 303 Ca 0.04 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1dkr h ILE 303 Cb 0.00 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1dkr h ILE 303 CO -0.03 0.01 -0.01 0.03 0.00 0.00 0.00 178.15 178.15 1dkr h ARG 304 N 0.04 0.49 -0.06 2.37 3.08 -1.27 0.95 114.38 119.99 1dkr h ARG 304 Ca 0.05 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1dkr h ARG 304 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1dkr h ARG 304 CO -0.08 0.53 -0.05 0.28 -1.07 0.00 0.00 179.97 179.58 1dkr h VAL 305 N 0.47 1.35 -0.78 2.04 2.07 -0.86 0.28 116.25 120.82 1dkr h VAL 305 Ca 0.10 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1dkr h VAL 305 Cb 0.33 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1dkr h VAL 305 CO 0.01 0.31 0.31 -0.74 0.02 0.00 0.00 177.57 177.49 1dkr h HIS 306 N -0.28 1.20 -0.10 1.57 -0.00 -0.86 -2.58 115.15 114.10 1dkr h HIS 306 Ca 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1dkr h HIS 306 Cb 0.52 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1dkr h HIS 306 CO 0.08 0.91 0.00 0.39 -0.00 0.00 0.00 177.93 179.31 1dkr n GLU 307 N -4.29 1.84 -3.56 5.26 1.02 0.31 -4.96 120.64 116.26 1dkr n GLU 307 Ca 0.07 -1.24 -0.22 0.00 -0.02 0.00 0.00 57.16 55.75 1dkr n GLU 307 Cb 0.19 -1.45 0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1dkr n GLU 307 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1dkr n GLN 308 N 0.49 -7.60 -1.56 3.49 6.02 0.70 -5.00 117.38 113.91 1dkr n GLN 308 Ca 0.17 0.83 -0.12 0.00 -0.01 0.00 0.00 57.00 57.88 1dkr n GLN 308 Cb 0.40 -5.88 0.06 0.00 1.02 0.00 0.00 30.24 25.84 1dkr n GLN 308 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dkr n GLN 309 N -4.77 0.22 -2.99 -1.09 6.02 0.44 -5.02 117.38 110.18 1dkr n GLN 309 Ca -0.07 -1.33 -0.41 0.00 -0.01 0.00 0.00 57.00 55.17 1dkr n GLN 309 Cb 0.59 -0.34 -0.05 0.00 1.02 0.00 0.00 30.24 31.45 1dkr n GLN 309 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1dkr s SER 310 N -3.03 6.74 0.06 1.08 0.15 -1.26 -4.72 113.70 112.72 1dkr s SER 310 Ca 0.33 0.92 -0.04 0.00 0.70 0.00 0.00 55.95 57.86 1dkr s SER 310 Cb -0.02 -2.39 -0.28 0.00 -1.71 0.00 0.00 66.02 61.62 1dkr s SER 310 CO 0.22 -0.42 1.08 0.58 1.20 0.00 0.00 173.24 175.89 1dkr h VAL 311 N 5.36 1.42 0.00 4.45 2.07 -1.96 -3.25 116.25 124.35 1dkr h VAL 311 Ca -0.26 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.25 1dkr h VAL 311 Cb 1.11 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1dkr h VAL 311 CO 0.82 0.87 0.00 -1.54 0.02 0.00 0.00 177.57 177.75 1dkr n SER 312 N -3.51 0.24 0.28 0.57 3.41 -1.26 -0.71 113.62 112.65 1dkr n SER 312 Ca -0.10 0.59 0.16 0.00 -0.26 0.00 0.00 58.87 59.26 1dkr n SER 312 Cb 1.03 -0.63 0.83 0.00 -0.26 0.00 0.00 64.21 65.18 1dkr n SER 312 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1dkr h TYR 313 N 0.00 0.00 0.00 7.33 3.20 -1.84 -2.16 116.97 123.50 1dkr h TYR 313 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dkr h TYR 313 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1dkr h TYR 313 CO 0.00 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 177.87 1dkr n LEU 314 N -3.46 0.68 0.03 2.82 4.32 0.11 -3.28 117.00 118.22 1dkr n LEU 314 Ca -0.02 0.65 0.11 0.00 -0.02 0.00 0.00 56.01 56.74 1dkr n LEU 314 Cb 0.20 -0.54 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1dkr n LEU 314 CO 0.27 -0.51 -0.26 0.49 -1.22 0.00 0.00 177.39 176.16 1dkr n PHE 315 N -2.24 0.34 -1.29 -1.77 3.72 -0.81 -5.05 117.46 110.36 1dkr n PHE 315 Ca 0.03 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1dkr n PHE 315 Cb 0.26 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1dkr n PHE 315 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58