#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkr s LYS 7 N 0.00 4.51 0.90 -0.14 -2.85 -1.23 -4.15 119.74 116.78 1nkr s LYS 7 Ca 0.00 1.86 -0.15 0.00 -1.00 0.00 0.00 55.97 56.67 1nkr s LYS 7 Cb 0.00 -3.24 0.21 0.00 -2.06 0.00 0.00 37.83 32.74 1nkr s LYS 7 CO 0.00 -0.05 1.10 -0.35 0.10 0.00 0.00 175.35 176.15 1nkr n PRO 8 N 2.40 -1.57 -4.09 1.78 -0.04 -1.26 -4.89 135.00 127.33 1nkr n PRO 8 Ca 0.04 -1.71 -0.27 0.00 -0.04 0.00 0.00 63.50 61.51 1nkr n PRO 8 Cb 0.45 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1nkr n PRO 8 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1nkr s SER 9 N -4.92 5.44 -0.06 3.54 0.01 0.10 -4.25 113.70 113.56 1nkr s SER 9 Ca 0.64 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.76 1nkr s SER 9 Cb -0.03 -1.41 0.03 0.00 0.21 0.00 0.00 66.02 64.82 1nkr s SER 9 CO 0.46 0.10 0.02 -0.22 0.41 0.00 0.00 173.24 174.01 1nkr s LEU 10 N -2.90 0.50 0.06 2.44 2.96 -1.26 -1.13 118.68 119.35 1nkr s LEU 10 Ca 0.30 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1nkr s LEU 10 Cb -0.11 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 1nkr s LEU 10 CO 0.22 -0.20 -0.06 -1.48 -1.32 0.00 0.00 176.35 173.51 1nkr s LEU 11 N 1.94 2.35 -0.10 -0.68 2.34 -0.60 -4.94 118.68 118.99 1nkr s LEU 11 Ca 0.04 -0.72 -0.01 0.00 0.06 0.00 0.00 54.13 53.50 1nkr s LEU 11 Cb -0.12 -0.07 -0.03 0.00 -0.56 0.00 0.00 46.19 45.41 1nkr s LEU 11 CO -0.04 -0.33 -0.04 0.00 -1.06 0.00 0.00 176.35 174.88 1nkr s ALA 12 N -2.28 3.08 -0.16 1.48 0.00 -1.26 -0.29 121.76 122.33 1nkr s ALA 12 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1nkr s ALA 12 Cb -0.04 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1nkr s ALA 12 CO -0.02 0.49 -0.16 -1.01 0.00 0.00 0.00 175.76 175.06 1nkr s HIS 13 N -0.54 2.78 -0.74 0.00 3.76 0.12 -2.42 115.29 118.25 1nkr s HIS 13 Ca 0.08 -1.18 0.25 0.00 -0.15 0.00 0.00 55.06 54.06 1nkr s HIS 13 Cb -0.12 -1.91 0.91 0.00 1.11 0.00 0.00 32.58 32.57 1nkr s HIS 13 CO 0.02 -0.56 1.77 -0.35 -0.85 0.00 0.00 174.74 174.77 1nkr n PRO 14 N 4.24 0.19 -3.60 8.40 -0.04 -1.26 -0.92 135.00 142.01 1nkr n PRO 14 Ca -0.19 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1nkr n PRO 14 Cb 0.51 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1nkr n PRO 14 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1nkr s GLY 15 N -3.43 -0.39 0.22 0.55 0.00 -1.02 -5.04 107.32 98.21 1nkr s GLY 15 Ca 0.10 1.09 0.25 0.00 0.00 0.00 0.00 44.72 46.16 1nkr s GLY 15 CO 0.52 0.28 1.76 -1.55 0.00 0.00 0.00 173.10 174.11 1nkr n PRO 16 N -0.36 0.24 -3.31 2.90 -0.04 -1.26 -4.59 135.00 128.58 1nkr n PRO 16 Ca -0.06 0.27 -0.44 0.00 -0.04 0.00 0.00 63.50 63.23 1nkr n PRO 16 Cb 0.61 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1nkr n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nkr s LEU 17 N -4.52 5.45 -0.09 1.53 1.43 -1.26 -1.60 118.68 119.61 1nkr s LEU 17 Ca 0.09 -1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1nkr s LEU 17 Cb 0.11 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1nkr s LEU 17 CO 0.54 -0.73 -0.06 -0.69 0.23 0.00 0.00 176.35 175.63 1nkr s VAL 18 N 1.95 3.74 0.45 -1.59 1.01 0.44 -4.87 120.40 121.53 1nkr s VAL 18 Ca 0.07 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1nkr s VAL 18 Cb -0.23 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1nkr s VAL 18 CO 0.08 0.57 1.01 -0.54 0.00 0.00 0.00 175.10 176.22 1nkr s LYS 19 N -0.47 4.02 0.13 2.72 1.02 -1.26 -0.55 119.74 125.35 1nkr s LYS 19 Ca 0.07 1.30 -0.35 0.00 0.02 0.00 0.00 55.97 57.01 1nkr s LYS 19 Cb -0.12 -2.20 -0.16 0.00 -0.52 0.00 0.00 37.83 34.83 1nkr s LYS 19 CO 0.02 -0.24 1.39 0.45 -0.92 0.00 0.00 175.35 176.06 1nkr n SER 20 N -0.69 2.10 0.00 2.83 2.88 -1.24 -1.48 113.62 118.01 1nkr n SER 20 Ca 0.08 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1nkr n SER 20 Cb 0.53 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1nkr n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1nkr n GLU 21 N 2.67 -0.69 -2.60 -1.46 1.02 0.37 -4.87 120.64 115.08 1nkr n GLU 21 Ca 0.17 0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 57.26 1nkr n GLU 21 Cb 0.23 -4.01 0.08 0.00 -0.02 0.00 0.00 31.44 27.72 1nkr n GLU 21 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nkr s GLU 22 N -0.96 1.98 0.20 3.49 2.02 -0.55 -4.08 118.70 120.79 1nkr s GLU 22 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.01 1nkr s GLU 22 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1nkr s GLU 22 CO 0.00 -1.20 0.35 0.95 0.02 0.00 0.00 175.26 175.38 1nkr s THR 23 N -3.02 5.26 -0.13 3.63 -4.23 -1.24 -0.64 115.64 115.27 1nkr s THR 23 Ca 0.63 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 60.31 1nkr s THR 23 Cb -0.07 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.04 1nkr s THR 23 CO 0.42 -0.20 0.49 0.54 -0.54 0.00 0.00 174.62 175.34 1nkr s VAL 24 N -1.87 0.01 -0.10 2.29 0.11 -0.84 -4.74 120.40 115.26 1nkr s VAL 24 Ca 0.36 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1nkr s VAL 24 Cb -0.10 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1nkr s VAL 24 CO 0.29 -0.06 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.21 1nkr s ILE 25 N -0.32 1.56 -0.13 7.04 1.01 -0.10 -0.40 121.20 129.87 1nkr s ILE 25 Ca -0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 1nkr s ILE 25 Cb -0.03 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 1nkr s ILE 25 CO 0.03 0.45 0.21 -0.76 0.00 0.00 0.00 174.94 174.87 1nkr s LEU 26 N 0.75 4.32 -0.06 2.97 1.02 0.17 0.11 118.68 127.96 1nkr s LEU 26 Ca -0.11 0.49 0.02 0.00 0.02 0.00 0.00 54.13 54.55 1nkr s LEU 26 Cb -0.16 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1nkr s LEU 26 CO 0.02 0.27 -0.11 -1.58 0.02 0.00 0.00 176.35 174.96 1nkr s GLN 27 N -0.33 1.56 -0.15 1.70 0.74 0.61 0.05 119.66 123.84 1nkr s GLN 27 Ca 0.15 -0.37 -0.08 0.00 0.05 0.00 0.00 55.36 55.10 1nkr s GLN 27 Cb -0.13 -1.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.63 1nkr s GLN 27 CO 0.04 0.02 0.14 0.00 -0.55 0.00 0.00 175.29 174.94 1nkr s TRP 29 N -0.54 -0.51 -0.14 0.00 1.48 -0.28 -0.64 118.94 118.31 1nkr s TRP 29 Ca 0.13 0.86 -0.15 0.00 -1.06 0.00 0.00 56.10 55.88 1nkr s TRP 29 Cb -0.12 0.30 0.04 0.00 -1.16 0.00 0.00 33.47 32.54 1nkr s TRP 29 CO 0.02 -0.53 0.41 0.45 -4.06 0.00 0.00 176.95 173.24 1nkr s SER 30 N -1.19 -0.42 0.00 -2.66 0.15 -0.40 0.01 113.70 109.19 1nkr s SER 30 Ca -0.12 0.78 0.22 0.00 0.70 0.00 0.00 55.95 57.54 1nkr s SER 30 Cb -0.02 0.80 1.31 0.00 -1.71 0.00 0.00 66.02 66.40 1nkr s SER 30 CO 0.08 -0.17 1.70 -0.90 1.20 0.00 0.00 173.24 175.14 1nkr n ASP 31 N 2.71 0.00 -4.77 5.45 5.68 -1.26 -1.84 116.55 122.52 1nkr n ASP 31 Ca -0.14 -0.65 -0.38 0.00 -0.50 0.00 0.00 54.79 53.12 1nkr n ASP 31 Cb 0.57 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.47 1nkr n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1nkr s VAL 32 N -2.04 4.99 -1.26 2.12 1.01 -1.26 -4.81 120.40 119.15 1nkr s VAL 32 Ca 0.32 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 1nkr s VAL 32 Cb 0.15 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1nkr s VAL 32 CO 0.26 0.43 1.96 0.23 0.00 0.00 0.00 175.10 177.98 1nkr n MET 33 N 2.75 2.59 -2.59 2.72 2.81 -1.26 -4.47 117.12 119.67 1nkr n MET 33 Ca -0.08 -2.72 -0.38 0.00 -1.81 0.00 0.00 57.70 52.71 1nkr n MET 33 Cb 0.51 -3.38 -0.05 0.00 -0.71 0.00 0.00 33.22 29.60 1nkr n MET 33 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1nkr s PHE 34 N 5.02 3.46 0.02 2.03 0.08 -1.26 -4.94 117.98 122.40 1nkr s PHE 34 Ca 0.54 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 59.23 1nkr s PHE 34 Cb 0.08 -3.11 -0.29 0.00 -0.57 0.00 0.00 43.02 39.12 1nkr s PHE 34 CO 0.04 -0.38 0.95 0.93 -0.10 0.00 0.00 175.22 176.65 1nkr h GLU 35 N 3.02 0.31 -4.10 0.44 5.08 -1.71 -3.41 114.58 114.22 1nkr h GLU 35 Ca -0.47 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.23 1nkr h GLU 35 Cb 1.21 0.20 -0.16 0.00 0.50 0.00 0.00 28.75 30.50 1nkr h GLU 35 CO 0.64 1.21 -0.62 -1.01 -1.00 0.00 0.00 179.01 178.24 1nkr s HIS 36 N -2.62 0.41 0.06 4.33 3.76 -1.04 -0.20 115.29 119.98 1nkr s HIS 36 Ca -0.08 -0.88 0.07 0.00 -0.15 0.00 0.00 55.06 54.01 1nkr s HIS 36 Cb 0.06 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 1nkr s HIS 36 CO 0.88 -0.38 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.14 1nkr s PHE 37 N -3.53 1.58 -0.23 1.40 0.08 0.19 -0.07 117.98 117.40 1nkr s PHE 37 Ca 0.03 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.66 1nkr s PHE 37 Cb 0.05 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1nkr s PHE 37 CO -0.09 0.10 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.57 1nkr s LEU 38 N -1.43 2.95 -0.32 -0.37 1.43 0.16 0.11 118.68 121.20 1nkr s LEU 38 Ca 0.04 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1nkr s LEU 38 Cb -0.09 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1nkr s LEU 38 CO 0.02 -0.06 0.16 -0.22 0.23 0.00 0.00 176.35 176.49 1nkr s LEU 39 N 1.42 4.24 -0.17 1.79 2.96 0.34 -0.21 118.68 129.05 1nkr s LEU 39 Ca 0.04 -0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1nkr s LEU 39 Cb -0.15 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1nkr s LEU 39 CO -0.04 -0.23 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.47 1nkr s HIS 40 N 1.60 3.08 -0.10 5.38 5.65 0.58 -0.04 115.29 131.44 1nkr s HIS 40 Ca 0.04 -0.22 0.03 0.00 0.25 0.00 0.00 55.06 55.16 1nkr s HIS 40 Cb -0.17 -2.00 -0.01 0.00 -1.18 0.00 0.00 32.58 29.22 1nkr s HIS 40 CO 0.06 -0.01 -0.20 0.50 -0.65 0.00 0.00 174.74 174.45 1nkr s ARG 41 N 0.43 3.07 -0.25 2.88 3.52 0.64 -1.00 118.95 128.24 1nkr s ARG 41 Ca -0.02 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 54.72 1nkr s ARG 41 Cb -0.14 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1nkr s ARG 41 CO 0.02 0.25 0.02 -1.21 -0.81 0.00 0.00 175.30 173.57 1nkr s GLU 42 N 0.21 3.36 0.00 5.12 2.02 0.19 -2.17 118.70 127.43 1nkr s GLU 42 Ca -0.12 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1nkr s GLU 42 Cb -0.16 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1nkr s GLU 42 CO 0.07 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1nkr n GLY 43 N 4.84 -0.57 0.25 -1.39 0.00 -1.26 -0.73 105.19 106.33 1nkr n GLY 43 Ca -0.17 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1nkr n GLY 43 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nkr h MET 44 N 0.00 0.35 -3.96 1.61 4.05 -1.88 -3.27 114.93 111.83 1nkr h MET 44 Ca 0.00 -0.02 -0.70 0.00 -0.28 0.00 0.00 59.70 58.70 1nkr h MET 44 Cb 0.00 -0.08 -0.35 0.00 -0.80 0.00 0.00 31.60 30.37 1nkr h MET 44 CO 0.00 0.23 -0.44 -0.06 0.23 0.00 0.00 176.91 176.88 1nkr s PHE 45 N -6.07 3.48 0.35 1.39 0.40 -1.26 -5.08 117.98 111.18 1nkr s PHE 45 Ca -0.13 -2.57 -0.27 0.00 -0.60 0.00 0.00 56.93 53.36 1nkr s PHE 45 Cb 0.19 -3.22 -0.09 0.00 0.51 0.00 0.00 43.02 40.40 1nkr s PHE 45 CO 0.75 -0.90 1.20 -0.80 0.70 0.00 0.00 175.22 176.17 1nkr s ASN 46 N 1.20 6.77 0.01 1.36 0.01 -1.24 -4.82 114.94 118.24 1nkr s ASN 46 Ca 0.13 2.45 -0.28 0.00 -0.71 0.00 0.00 52.86 54.46 1nkr s ASN 46 Cb -0.21 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 38.90 1nkr s ASN 46 CO -0.04 -0.51 0.74 -0.62 -1.51 0.00 0.00 177.10 175.16 1nkr s ASP 47 N -0.85 -0.53 -0.07 -1.22 2.15 -0.92 -5.01 116.67 110.22 1nkr s ASP 47 Ca 0.51 0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.79 1nkr s ASP 47 Cb -0.34 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 42.80 1nkr s ASP 47 CO 0.44 -0.69 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.83 1nkr s THR 48 N -2.39 0.55 -0.10 1.71 2.01 -1.26 -0.26 115.64 115.90 1nkr s THR 48 Ca -0.03 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1nkr s THR 48 Cb -0.01 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1nkr s THR 48 CO -0.02 0.28 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.39 1nkr s LEU 49 N 1.68 3.38 -0.27 4.42 1.43 0.94 -4.93 118.68 125.33 1nkr s LEU 49 Ca 0.01 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1nkr s LEU 49 Cb -0.13 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1nkr s LEU 49 CO -0.05 0.31 0.26 -0.60 0.23 0.00 0.00 176.35 176.50 1nkr s ARG 50 N -0.45 3.98 -0.01 1.70 3.52 -1.26 -0.50 118.95 125.93 1nkr s ARG 50 Ca 0.07 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1nkr s ARG 50 Cb -0.12 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1nkr s ARG 50 CO 0.02 -0.21 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.74 1nkr s LEU 51 N 1.86 3.27 -0.02 -0.88 1.43 0.12 -4.96 118.68 119.50 1nkr s LEU 51 Ca 0.10 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1nkr s LEU 51 Cb -0.16 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1nkr s LEU 51 CO 0.10 0.29 0.89 -0.63 0.23 0.00 0.00 176.35 177.24 1nkr s ILE 52 N -1.00 4.92 0.03 -0.59 -1.09 -1.26 -0.64 121.20 121.56 1nkr s ILE 52 Ca 0.17 1.87 -0.30 0.00 -2.23 0.00 0.00 60.65 60.16 1nkr s ILE 52 Cb -0.11 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1nkr s ILE 52 CO 0.08 0.19 1.09 -0.83 -1.23 0.00 0.00 174.94 174.24 1nkr s GLY 53 N 0.92 2.65 -0.14 6.18 0.00 0.72 -4.59 107.32 113.06 1nkr s GLY 53 Ca 0.47 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.78 1nkr s GLY 53 CO 0.25 1.87 0.18 -0.54 0.00 0.00 0.00 173.10 174.86 1nkr s GLU 54 N 1.07 3.82 -0.25 2.90 2.02 0.14 -4.85 118.70 123.55 1nkr s GLU 54 Ca 0.55 -0.07 -0.14 0.00 0.02 0.00 0.00 54.97 55.33 1nkr s GLU 54 Cb -0.25 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1nkr s GLU 54 CO 0.28 0.55 0.32 -1.01 0.02 0.00 0.00 175.26 175.43 1nkr s HIS 55 N -0.41 3.29 -0.67 1.61 3.76 -1.26 -0.30 115.29 121.30 1nkr s HIS 55 Ca 0.14 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1nkr s HIS 55 Cb -0.12 -2.48 0.16 0.00 1.11 0.00 0.00 32.58 31.25 1nkr s HIS 55 CO 0.03 -0.11 0.46 -1.01 -0.85 0.00 0.00 174.74 173.26 1nkr s HIS 56 N 1.65 3.50 -0.68 1.40 3.76 0.25 -4.96 115.29 120.22 1nkr s HIS 56 Ca 0.14 -3.28 -0.14 0.00 -0.15 0.00 0.00 55.06 51.63 1nkr s HIS 56 Cb -0.15 -2.78 0.02 0.00 1.11 0.00 0.00 32.58 30.78 1nkr s HIS 56 CO 0.09 -0.61 0.63 -3.47 -0.85 0.00 0.00 174.74 170.53 1nkr n ASP 57 N 2.27 -5.36 0.00 1.40 2.03 -1.26 -2.48 116.55 113.16 1nkr n ASP 57 Ca 0.16 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1nkr n ASP 57 Cb 0.34 -2.01 0.00 0.00 -0.72 0.00 0.00 41.12 38.73 1nkr n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nkr n GLY 58 N -1.11 2.54 3.34 0.27 0.00 -1.26 -5.03 105.19 103.93 1nkr n GLY 58 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1nkr n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkr s VAL 59 N -2.40 2.08 -0.11 1.61 1.01 -1.03 -4.60 120.40 116.96 1nkr s VAL 59 Ca 0.00 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1nkr s VAL 59 Cb 0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 1nkr s VAL 59 CO 0.00 0.29 -0.20 -0.55 0.00 0.00 0.00 175.10 174.64 1nkr s SER 60 N -1.37 3.39 0.11 3.32 0.15 -0.76 0.86 113.70 119.39 1nkr s SER 60 Ca 0.11 -0.49 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 1nkr s SER 60 Cb -0.10 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1nkr s SER 60 CO 0.03 0.16 0.24 -1.59 1.20 0.00 0.00 173.24 173.27 1nkr s LYS 61 N 0.38 0.94 -0.09 5.44 -2.85 0.59 -1.27 119.74 122.86 1nkr s LYS 61 Ca -0.16 -0.96 -0.08 0.00 -1.00 0.00 0.00 55.97 53.77 1nkr s LYS 61 Cb -0.17 0.37 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 1nkr s LYS 61 CO 0.07 -0.32 0.24 0.00 0.10 0.00 0.00 175.35 175.45 1nkr s ALA 62 N -3.87 -0.60 0.06 0.59 0.00 0.18 0.24 121.76 118.36 1nkr s ALA 62 Ca 0.07 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1nkr s ALA 62 Cb 0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1nkr s ALA 62 CO -0.09 -0.13 0.02 -0.80 0.00 0.00 0.00 175.76 174.77 1nkr s ASN 63 N 0.27 5.21 -0.25 0.00 0.01 -1.26 -0.48 114.94 118.44 1nkr s ASN 63 Ca -0.01 -0.08 -0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1nkr s ASN 63 Cb -0.03 -1.32 0.07 0.00 0.41 0.00 0.00 41.25 40.38 1nkr s ASN 63 CO -0.01 0.20 0.00 0.12 -1.51 0.00 0.00 177.10 175.91 1nkr s PHE 64 N -1.27 2.04 -0.09 2.20 5.36 0.11 -4.97 117.98 121.36 1nkr s PHE 64 Ca 0.25 -1.63 -0.11 0.00 -0.96 0.00 0.00 56.93 54.48 1nkr s PHE 64 Cb -0.12 -1.57 -0.05 0.00 -0.34 0.00 0.00 43.02 40.94 1nkr s PHE 64 CO 0.17 -0.77 0.25 -1.12 -1.46 0.00 0.00 175.22 172.29 1nkr s SER 65 N 1.51 6.53 -0.29 6.13 0.01 -1.26 -0.66 113.70 125.67 1nkr s SER 65 Ca -0.01 0.63 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 1nkr s SER 65 Cb -0.18 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1nkr s SER 65 CO -0.10 0.33 -0.02 -0.63 0.41 0.00 0.00 173.24 173.23 1nkr s ILE 66 N -0.80 2.85 0.02 1.44 1.01 0.47 -5.00 121.20 121.18 1nkr s ILE 66 Ca 0.18 -1.38 -0.21 0.00 0.00 0.00 0.00 60.65 59.24 1nkr s ILE 66 Cb -0.14 -2.62 -0.17 0.00 0.01 0.00 0.00 42.46 39.54 1nkr s ILE 66 CO 0.07 -0.06 1.25 0.28 0.00 0.00 0.00 174.94 176.48 1nkr h SER 67 N 7.97 0.38 -3.31 3.58 0.02 -1.86 -2.24 113.55 118.08 1nkr h SER 67 Ca -0.22 -0.57 -0.57 0.00 -0.84 0.00 0.00 61.79 59.59 1nkr h SER 67 Cb 1.06 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 1nkr h SER 67 CO 0.53 0.88 -0.76 -0.13 -1.14 0.00 0.00 176.83 176.21 1nkr s ARG 68 N -3.94 0.90 -0.06 3.45 0.52 -1.26 -3.64 118.95 114.93 1nkr s ARG 68 Ca -0.14 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 53.94 1nkr s ARG 68 Cb 0.04 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.25 1nkr s ARG 68 CO 0.76 -0.77 1.90 1.41 0.02 0.00 0.00 175.30 178.62 1nkr s MET 69 N 1.64 3.94 0.20 3.54 -2.45 0.19 -4.75 119.30 121.61 1nkr s MET 69 Ca 0.02 2.31 0.08 0.00 -1.25 0.00 0.00 55.69 56.86 1nkr s MET 69 Cb -0.18 -4.15 -0.05 0.00 1.25 0.00 0.00 34.83 31.71 1nkr s MET 69 CO -0.14 -1.17 -0.16 0.95 1.05 0.00 0.00 175.02 175.55 1nkr s THR 70 N 5.11 1.81 0.60 10.11 -4.23 -1.26 -0.48 115.64 127.30 1nkr s THR 70 Ca 0.85 -2.17 0.30 0.00 -1.18 0.00 0.00 61.69 59.50 1nkr s THR 70 Cb -0.37 -2.02 0.36 0.00 1.34 0.00 0.00 72.50 71.81 1nkr s THR 70 CO 0.36 -0.52 2.17 0.06 -0.54 0.00 0.00 174.62 176.15 1nkr h GLN 71 N 2.68 0.00 0.00 3.99 3.07 -1.97 -1.43 115.11 121.45 1nkr h GLN 71 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1nkr h GLN 71 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1nkr h GLN 71 CO 0.60 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 179.12 1nkr n ASP 72 N -3.75 0.56 -0.77 0.06 5.75 -1.26 -2.20 116.55 114.94 1nkr n ASP 72 Ca -0.01 0.65 0.08 0.00 -0.01 0.00 0.00 54.79 55.51 1nkr n ASP 72 Cb 0.22 -0.76 0.13 0.00 -1.03 0.00 0.00 41.12 39.68 1nkr n ASP 72 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nkr n LEU 73 N -2.13 2.76 -4.84 -2.12 4.77 -0.54 -4.36 117.00 110.54 1nkr n LEU 73 Ca 0.02 -1.39 -0.35 0.00 -0.03 0.00 0.00 56.01 54.25 1nkr n LEU 73 Cb 0.20 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1nkr n LEU 73 CO 0.18 0.59 0.29 0.00 -1.33 0.00 0.00 177.39 177.11 1nkr s ALA 74 N -1.22 3.53 0.00 -1.18 0.00 -0.93 -4.92 121.76 117.03 1nkr s ALA 74 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1nkr s ALA 74 Cb 0.15 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1nkr s ALA 74 CO 0.22 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1nkr n GLY 75 N 0.75 -0.88 3.62 0.00 0.00 -0.62 -4.32 105.19 103.75 1nkr n GLY 75 Ca -0.04 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1nkr n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkr s THR 76 N -2.79 5.22 0.06 2.61 2.01 0.09 -0.94 115.64 121.90 1nkr s THR 76 Ca 0.00 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.53 1nkr s THR 76 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1nkr s THR 76 CO 0.00 0.21 0.03 -0.31 -0.69 0.00 0.00 174.62 173.85 1nkr s TYR 77 N 1.79 3.09 -0.03 4.92 1.51 0.13 -0.63 117.35 128.13 1nkr s TYR 77 Ca 0.14 0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1nkr s TYR 77 Cb -0.15 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1nkr s TYR 77 CO 0.09 0.49 0.13 1.03 -1.11 0.00 0.00 175.55 176.18 1nkr s ARG 78 N -2.10 0.28 0.01 -0.62 0.52 -0.17 -0.41 118.95 116.46 1nkr s ARG 78 Ca 0.25 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.45 1nkr s ARG 78 Cb -0.12 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 1nkr s ARG 78 CO 0.17 -0.05 -0.15 0.00 0.02 0.00 0.00 175.30 175.28 1nkr s TYR 80 N -0.89 1.59 0.11 0.00 1.51 0.70 -1.10 117.35 119.27 1nkr s TYR 80 Ca 0.14 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1nkr s TYR 80 Cb -0.11 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1nkr s TYR 80 CO 0.04 0.05 0.20 0.20 -1.11 0.00 0.00 175.55 174.94 1nkr s GLY 81 N -1.02 1.94 0.17 0.71 0.00 -1.26 0.39 107.32 108.25 1nkr s GLY 81 Ca 0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 1nkr s GLY 81 CO 0.01 -0.98 0.30 -1.35 0.00 0.00 0.00 173.10 171.09 1nkr s SER 82 N -2.79 0.02 0.03 1.64 1.04 0.90 -1.18 113.70 113.36 1nkr s SER 82 Ca 0.33 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1nkr s SER 82 Cb -0.12 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1nkr s SER 82 CO 0.26 -0.92 -0.11 0.68 0.98 0.00 0.00 173.24 174.13 1nkr s VAL 83 N -3.97 0.88 0.17 5.02 -7.23 -1.26 -1.82 120.40 112.19 1nkr s VAL 83 Ca 0.18 -0.90 0.28 0.00 -1.81 0.00 0.00 61.98 59.72 1nkr s VAL 83 Cb 0.03 -0.82 0.30 0.00 0.56 0.00 0.00 36.38 36.44 1nkr s VAL 83 CO 0.01 -0.07 1.92 0.71 -0.31 0.00 0.00 175.10 177.36 1nkr h THR 84 N 4.58 0.37 0.00 5.32 1.35 -1.97 -2.60 112.91 119.96 1nkr h THR 84 Ca -0.36 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1nkr h THR 84 Cb 1.19 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1nkr h THR 84 CO 0.44 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 1nkr n HIS 85 N -3.33 0.00 -3.30 4.73 1.44 -1.26 -3.31 115.22 110.20 1nkr n HIS 85 Ca -0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 1nkr n HIS 85 Cb 0.36 -0.41 -0.08 0.00 0.12 0.00 0.00 29.99 29.97 1nkr n HIS 85 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1nkr n SER 86 N -1.41 0.77 0.23 4.39 3.41 -0.98 -5.00 113.62 115.04 1nkr n SER 86 Ca 0.06 -2.78 0.07 0.00 -0.26 0.00 0.00 58.87 55.96 1nkr n SER 86 Cb 0.20 -0.63 0.55 0.00 -0.26 0.00 0.00 64.21 64.07 1nkr n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1nkr h PRO 87 N 4.38 0.00 -0.61 4.33 0.13 -1.61 -3.17 132.00 135.44 1nkr h PRO 87 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1nkr h PRO 87 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1nkr h PRO 87 CO 0.52 0.15 0.00 0.66 -0.23 0.00 0.00 178.00 179.10 1nkr n TYR 88 N -4.25 1.88 -4.10 1.56 4.01 -1.26 -4.91 117.16 110.09 1nkr n TYR 88 Ca -0.02 -0.68 -0.14 0.00 -0.16 0.00 0.00 57.90 56.90 1nkr n TYR 88 Cb 0.22 -0.42 -0.12 0.00 -0.31 0.00 0.00 39.34 38.72 1nkr n TYR 88 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1nkr s GLN 89 N -2.42 0.52 0.24 -0.72 1.11 -1.20 -5.17 119.66 112.03 1nkr s GLN 89 Ca 0.54 -0.62 0.01 0.00 0.01 0.00 0.00 55.36 55.30 1nkr s GLN 89 Cb 0.39 -0.36 -0.05 0.00 -1.01 0.00 0.00 33.01 31.98 1nkr s GLN 89 CO 0.19 0.08 0.07 0.14 0.01 0.00 0.00 175.29 175.78 1nkr s VAL 90 N -1.05 0.61 1.14 1.09 -7.23 -1.26 -4.68 120.40 109.02 1nkr s VAL 90 Ca -0.06 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 1nkr s VAL 90 Cb -0.08 -2.53 0.26 0.00 0.56 0.00 0.00 36.38 34.59 1nkr s VAL 90 CO 0.00 -0.11 1.08 -0.94 -0.31 0.00 0.00 175.10 174.83 1nkr s SER 91 N -3.29 1.40 0.64 4.85 1.04 -0.32 -4.95 113.70 113.06 1nkr s SER 91 Ca 0.35 0.93 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 1nkr s SER 91 Cb 0.07 -1.41 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1nkr s SER 91 CO 0.12 -3.86 1.08 0.00 0.98 0.00 0.00 173.24 171.55 1nkr s ALA 92 N -2.89 2.62 0.47 5.32 0.00 -1.26 -4.71 121.76 121.32 1nkr s ALA 92 Ca 0.68 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 1nkr s ALA 92 Cb -0.15 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1nkr s ALA 92 CO 0.58 -1.06 1.10 -1.25 0.00 0.00 0.00 175.76 175.12 1nkr s PRO 93 N -4.26 3.76 0.94 0.00 0.04 -1.26 -3.58 135.00 130.64 1nkr s PRO 93 Ca 0.64 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1nkr s PRO 93 Cb -0.17 -2.25 0.16 0.00 0.04 0.00 0.00 34.50 32.27 1nkr s PRO 93 CO 0.42 -0.51 1.09 -1.54 0.04 0.00 0.00 177.00 176.50 1nkr s SER 94 N -1.67 3.02 0.64 6.66 1.04 -0.26 -4.74 113.70 118.40 1nkr s SER 94 Ca 0.66 1.49 -0.17 0.00 0.48 0.00 0.00 55.95 58.40 1nkr s SER 94 Cb -0.23 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1nkr s SER 94 CO 0.27 -2.93 1.22 -1.81 0.98 0.00 0.00 173.24 170.98 1nkr s ASP 95 N -3.28 4.80 0.57 7.02 1.01 -1.26 -4.59 116.67 120.93 1nkr s ASP 95 Ca 0.64 2.40 -0.18 0.00 0.71 0.00 0.00 52.55 56.12 1nkr s ASP 95 Cb -0.19 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.09 1nkr s ASP 95 CO 0.58 -1.86 1.12 -2.16 0.21 0.00 0.00 175.17 173.06 1nkr s PRO 96 N -3.54 3.26 -0.10 8.23 0.04 -1.26 -4.74 135.00 136.88 1nkr s PRO 96 Ca 0.77 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 1nkr s PRO 96 Cb -0.31 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.27 1nkr s PRO 96 CO 0.38 -0.91 0.03 -1.17 0.04 0.00 0.00 177.00 175.37 1nkr s LEU 97 N -4.04 0.63 -0.29 -3.56 2.96 0.45 -4.95 118.68 109.89 1nkr s LEU 97 Ca 0.71 -0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 54.09 1nkr s LEU 97 Cb -0.22 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.05 1nkr s LEU 97 CO 0.30 -0.24 0.82 -1.81 -1.32 0.00 0.00 176.35 174.10 1nkr s ASP 98 N 1.99 6.73 -0.34 3.68 1.11 -1.26 -0.69 116.67 127.89 1nkr s ASP 98 Ca 0.03 0.79 -0.15 0.00 0.18 0.00 0.00 52.55 53.41 1nkr s ASP 98 Cb -0.14 -2.42 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 1nkr s ASP 98 CO -0.06 -0.61 0.35 -0.63 1.18 0.00 0.00 175.17 175.40 1nkr s ILE 99 N 2.98 5.18 0.13 0.77 -1.09 -0.11 -4.72 121.20 124.33 1nkr s ILE 99 Ca 0.34 0.04 0.10 0.00 -2.23 0.00 0.00 60.65 58.90 1nkr s ILE 99 Cb -0.14 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1nkr s ILE 99 CO 0.11 -0.08 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.82 1nkr s VAL 100 N 1.99 2.45 -0.27 2.92 1.01 -0.63 -1.58 120.40 126.29 1nkr s VAL 100 Ca 0.11 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1nkr s VAL 100 Cb -0.17 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1nkr s VAL 100 CO 0.11 0.07 0.17 -0.63 0.00 0.00 0.00 175.10 174.83 1nkr s ILE 101 N -1.16 5.21 0.47 2.22 1.01 -0.18 -0.42 121.20 128.36 1nkr s ILE 101 Ca 0.16 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1nkr s ILE 101 Cb -0.10 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1nkr s ILE 101 CO 0.08 0.27 0.27 0.27 0.00 0.00 0.00 174.94 175.82 1nkr s ILE 102 N 1.67 1.97 -0.02 2.92 -4.36 0.29 0.24 121.20 123.92 1nkr s ILE 102 Ca 0.07 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1nkr s ILE 102 Cb -0.16 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.97 1nkr s ILE 102 CO 0.10 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1nkr n GLY 103 N -1.48 0.45 0.05 6.27 0.00 -0.54 -3.73 105.19 106.22 1nkr n GLY 103 Ca -0.03 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1nkr n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nkr n LEU 104 N -0.02 0.61 -4.12 0.99 4.77 -0.86 -4.57 117.00 113.81 1nkr n LEU 104 Ca -0.00 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1nkr n LEU 104 Cb 0.01 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1nkr n LEU 104 CO 0.00 -0.03 -0.07 -0.31 -1.33 0.00 0.00 177.39 175.65 1nkr s TYR 105 N -3.11 0.85 0.19 -1.77 2.02 -1.26 -4.93 117.35 109.34 1nkr s TYR 105 Ca 0.08 -1.12 -0.33 0.00 -0.37 0.00 0.00 57.07 55.33 1nkr s TYR 105 Cb 0.15 -0.26 -0.14 0.00 -0.40 0.00 0.00 41.96 41.31 1nkr s TYR 105 CO 0.69 -0.78 1.51 -1.91 -1.57 0.00 0.00 175.55 173.49 1nkr n GLU 106 N -0.32 2.12 -2.01 -0.62 4.07 -1.26 -0.59 120.64 122.03 1nkr n GLU 106 Ca 0.01 0.76 -0.41 0.00 -0.06 0.00 0.00 57.16 57.46 1nkr n GLU 106 Cb 0.64 -2.49 -0.02 0.00 -0.06 0.00 0.00 31.44 29.52 1nkr n GLU 106 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1nkr s LYS 107 N 0.37 4.27 0.87 5.31 -2.85 -1.26 -4.44 119.74 122.01 1nkr s LYS 107 Ca 0.74 2.33 -0.13 0.00 -1.00 0.00 0.00 55.97 57.91 1nkr s LYS 107 Cb -0.66 -3.06 0.20 0.00 -2.06 0.00 0.00 37.83 32.24 1nkr s LYS 107 CO 0.43 -0.34 1.18 -0.35 0.10 0.00 0.00 175.35 176.37 1nkr n PRO 108 N 1.17 -1.04 -4.35 1.78 -0.05 -1.26 -4.94 135.00 126.31 1nkr n PRO 108 Ca 0.02 -1.97 -0.34 0.00 -0.05 0.00 0.00 63.50 61.16 1nkr n PRO 108 Cb 0.41 -1.17 -0.09 0.00 -0.05 0.00 0.00 33.50 32.60 1nkr n PRO 108 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 1nkr s SER 109 N -5.37 5.12 -0.12 3.54 0.01 0.18 -4.34 113.70 112.72 1nkr s SER 109 Ca 0.68 0.05 0.01 0.00 1.31 0.00 0.00 55.95 58.00 1nkr s SER 109 Cb -0.02 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.85 1nkr s SER 109 CO 0.47 0.33 -0.14 -0.22 0.41 0.00 0.00 173.24 174.09 1nkr s LEU 110 N -1.23 1.63 0.11 2.44 2.96 -1.26 -0.54 118.68 122.78 1nkr s LEU 110 Ca 0.17 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1nkr s LEU 110 Cb -0.11 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1nkr s LEU 110 CO 0.06 -0.03 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.05 1nkr s SER 111 N 1.24 1.33 -0.01 3.68 1.04 -0.54 -4.94 113.70 115.49 1nkr s SER 111 Ca -0.02 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.52 1nkr s SER 111 Cb -0.14 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1nkr s SER 111 CO -0.05 -0.39 -0.16 0.00 0.98 0.00 0.00 173.24 173.62 1nkr s ALA 112 N -3.23 2.61 -0.05 5.32 0.00 -1.26 -0.32 121.76 124.83 1nkr s ALA 112 Ca 0.11 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1nkr s ALA 112 Cb 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1nkr s ALA 112 CO -0.02 0.56 -0.14 -0.65 0.00 0.00 0.00 175.76 175.50 1nkr s GLN 113 N -1.02 1.67 0.50 0.00 -1.52 0.16 -3.06 119.66 116.39 1nkr s GLN 113 Ca 0.13 -0.50 0.24 0.00 -1.95 0.00 0.00 55.36 53.27 1nkr s GLN 113 Cb -0.11 -1.42 1.32 0.00 -0.22 0.00 0.00 33.01 32.58 1nkr s GLN 113 CO 0.03 0.15 2.05 -1.00 -0.25 0.00 0.00 175.29 176.26 1nkr h PRO 114 N 6.52 0.00 -1.64 2.91 0.13 -1.86 0.11 132.00 138.17 1nkr h PRO 114 Ca -0.32 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.17 1nkr h PRO 114 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1nkr h PRO 114 CO 0.48 0.14 0.90 0.20 -0.23 0.00 0.00 178.00 179.49 1nkr s GLY 115 N -4.20 -0.32 0.08 1.56 0.00 -1.17 -5.04 107.32 98.24 1nkr s GLY 115 Ca -0.03 0.48 0.27 0.00 0.00 0.00 0.00 44.72 45.44 1nkr s GLY 115 CO 0.62 2.56 1.80 -1.55 0.00 0.00 0.00 173.10 176.53 1nkr n PRO 116 N -0.67 0.11 -3.99 2.90 -0.04 -1.26 -4.64 135.00 127.40 1nkr n PRO 116 Ca -0.03 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1nkr n PRO 116 Cb 0.61 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 1nkr n PRO 116 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1nkr s THR 117 N -3.04 1.89 0.26 0.52 2.01 -1.26 -0.02 115.64 116.00 1nkr s THR 117 Ca 0.12 -1.62 0.03 0.00 0.31 0.00 0.00 61.69 60.52 1nkr s THR 117 Cb 0.16 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1nkr s THR 117 CO 0.58 -0.21 0.05 0.68 -0.69 0.00 0.00 174.62 175.03 1nkr s VAL 118 N 1.19 0.85 0.32 3.82 -7.23 -0.14 -4.98 120.40 114.23 1nkr s VAL 118 Ca -0.03 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.00 1nkr s VAL 118 Cb -0.19 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 1nkr s VAL 118 CO -0.07 -0.14 0.72 -0.76 -0.31 0.00 0.00 175.10 174.54 1nkr s LEU 119 N -3.34 4.04 0.31 1.32 1.43 -1.26 -0.69 118.68 120.49 1nkr s LEU 119 Ca 0.34 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.38 1nkr s LEU 119 Cb 0.07 -4.04 -0.13 0.00 0.03 0.00 0.00 46.19 42.13 1nkr s LEU 119 CO 0.12 -0.22 1.20 0.00 0.23 0.00 0.00 176.35 177.68 1nkr n ALA 120 N -0.46 0.72 0.00 4.21 0.00 0.17 -2.09 120.51 123.06 1nkr n ALA 120 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nkr n ALA 120 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1nkr n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkr n GLY 121 N 1.07 3.27 3.76 0.00 0.00 0.02 -4.89 105.19 108.42 1nkr n GLY 121 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1nkr n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nkr s GLU 122 N -0.58 4.31 -0.58 1.61 2.02 -0.89 -4.22 118.70 120.36 1nkr s GLU 122 Ca 0.00 2.27 -0.27 0.00 0.02 0.00 0.00 54.97 56.98 1nkr s GLU 122 Cb 0.00 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1nkr s GLU 122 CO 0.00 -0.30 1.14 1.21 0.02 0.00 0.00 175.26 177.33 1nkr s ASN 123 N -0.10 6.41 -0.06 -0.19 2.47 -1.26 -0.89 114.94 121.32 1nkr s ASN 123 Ca 0.53 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.72 1nkr s ASN 123 Cb -0.41 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 36.82 1nkr s ASN 123 CO 0.49 -1.44 0.21 -0.69 -3.72 0.00 0.00 177.10 171.95 1nkr s VAL 124 N 4.77 5.39 -0.03 -5.21 1.01 -1.16 -4.37 120.40 120.80 1nkr s VAL 124 Ca 0.40 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1nkr s VAL 124 Cb -0.09 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1nkr s VAL 124 CO 0.24 0.52 -0.10 -0.89 0.00 0.00 0.00 175.10 174.87 1nkr s THR 125 N -1.13 0.84 -0.16 3.92 2.01 0.38 -0.52 115.64 120.97 1nkr s THR 125 Ca 0.20 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1nkr s THR 125 Cb -0.13 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1nkr s THR 125 CO 0.10 0.26 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.49 1nkr s LEU 126 N 0.22 3.22 -0.14 4.42 1.43 -0.28 -0.66 118.68 126.89 1nkr s LEU 126 Ca -0.04 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1nkr s LEU 126 Cb -0.09 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1nkr s LEU 126 CO 0.01 0.14 -0.06 -0.44 0.23 0.00 0.00 176.35 176.23 1nkr s SER 127 N 0.51 4.58 -0.19 2.29 0.01 0.56 0.33 113.70 121.79 1nkr s SER 127 Ca -0.03 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 1nkr s SER 127 Cb -0.14 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1nkr s SER 127 CO 0.03 0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.87 1nkr s SER 129 N 0.88 0.43 0.07 0.00 1.04 0.30 -1.17 113.70 115.24 1nkr s SER 129 Ca 0.01 -0.90 -0.27 0.00 0.48 0.00 0.00 55.95 55.28 1nkr s SER 129 Cb -0.14 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.26 1nkr s SER 129 CO 0.02 -0.56 0.85 -0.55 0.98 0.00 0.00 173.24 173.97 1nkr s SER 130 N -2.70 -0.35 0.11 7.02 0.15 -0.41 0.47 113.70 118.00 1nkr s SER 130 Ca 0.03 -0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1nkr s SER 130 Cb 0.05 0.46 0.32 0.00 -1.71 0.00 0.00 66.02 65.14 1nkr s SER 130 CO -0.09 -0.77 1.30 0.54 1.20 0.00 0.00 173.24 175.42 1nkr n ARG 131 N -0.32 0.29 -2.60 5.44 5.12 -1.26 -0.80 116.66 122.52 1nkr n ARG 131 Ca -0.09 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 1nkr n ARG 131 Cb 0.62 -1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 1nkr n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1nkr s SER 132 N -4.21 7.29 -0.33 0.55 0.01 -1.26 -4.84 113.70 110.90 1nkr s SER 132 Ca 0.06 2.08 -0.06 0.00 1.31 0.00 0.00 55.95 59.34 1nkr s SER 132 Cb 0.13 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.55 1nkr s SER 132 CO 0.73 -0.11 3.23 -1.54 0.41 0.00 0.00 173.24 175.96 1nkr n SER 133 N 0.96 5.51 -4.66 2.44 3.41 -1.26 -4.63 113.62 115.39 1nkr n SER 133 Ca 0.00 -2.42 -0.39 0.00 -0.26 0.00 0.00 58.87 55.80 1nkr n SER 133 Cb 0.47 -1.33 0.04 0.00 -0.26 0.00 0.00 64.21 63.13 1nkr n SER 133 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nkr n TYR 134 N 2.80 1.42 -0.02 7.33 4.01 -1.26 -4.93 117.16 126.52 1nkr n TYR 134 Ca 0.47 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.67 1nkr n TYR 134 Cb 0.70 -2.24 -0.13 0.00 -0.31 0.00 0.00 39.34 37.36 1nkr n TYR 134 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nkr n ASP 135 N -0.59 0.35 -3.95 7.72 8.00 0.29 -4.62 116.55 123.75 1nkr n ASP 135 Ca 0.12 0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.67 1nkr n ASP 135 Cb 0.45 0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 42.39 1nkr n ASP 135 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1nkr s MET 136 N -2.98 0.31 0.11 -1.24 -1.94 -0.83 -0.96 119.30 111.78 1nkr s MET 136 Ca -0.06 -0.49 0.11 0.00 -1.71 0.00 0.00 55.69 53.53 1nkr s MET 136 Cb 0.09 0.12 -0.04 0.00 2.01 0.00 0.00 34.83 37.01 1nkr s MET 136 CO 0.84 -0.06 -0.27 0.71 -0.01 0.00 0.00 175.02 176.24 1nkr s TYR 137 N -1.27 2.31 -0.08 -0.03 2.02 0.48 -0.79 117.35 119.98 1nkr s TYR 137 Ca -0.14 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1nkr s TYR 137 Cb -0.08 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 1nkr s TYR 137 CO -0.00 0.30 -0.16 -1.01 -1.57 0.00 0.00 175.55 173.11 1nkr s HIS 138 N -1.01 1.82 -0.20 2.71 3.76 0.93 -1.45 115.29 121.84 1nkr s HIS 138 Ca 0.14 -0.72 -0.05 0.00 -0.15 0.00 0.00 55.06 54.28 1nkr s HIS 138 Cb -0.10 -1.28 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 1nkr s HIS 138 CO 0.05 -0.34 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.42 1nkr s LEU 139 N 0.60 3.14 -0.12 0.89 2.96 0.27 -0.96 118.68 125.47 1nkr s LEU 139 Ca -0.15 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1nkr s LEU 139 Cb -0.16 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1nkr s LEU 139 CO 0.05 0.05 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.45 1nkr s SER 140 N 1.10 4.07 -0.15 3.68 0.15 0.78 -1.45 113.70 121.88 1nkr s SER 140 Ca 0.02 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 1nkr s SER 140 Cb -0.14 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.67 1nkr s SER 140 CO 0.01 0.20 -0.11 -0.60 1.20 0.00 0.00 173.24 173.94 1nkr s ARG 141 N 0.14 3.39 0.20 5.44 3.52 -1.26 -0.55 118.95 129.84 1nkr s ARG 141 Ca -0.06 -0.66 -0.33 0.00 -0.13 0.00 0.00 55.73 54.55 1nkr s ARG 141 Cb -0.15 -2.74 -0.14 0.00 -1.56 0.00 0.00 34.95 30.36 1nkr s ARG 141 CO 0.05 0.10 1.41 0.39 -0.81 0.00 0.00 175.30 176.44 1nkr n GLU 142 N 3.86 1.86 -0.91 5.12 1.02 0.05 -1.22 120.64 130.43 1nkr n GLU 142 Ca -0.18 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1nkr n GLU 142 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1nkr n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nkr n GLY 143 N 2.48 0.73 3.46 0.62 0.00 -1.26 -4.79 105.19 106.43 1nkr n GLY 143 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1nkr n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nkr s GLU 144 N -0.24 3.44 0.09 1.61 2.12 -0.35 -5.07 118.70 120.29 1nkr s GLU 144 Ca 0.00 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.44 1nkr s GLU 144 Cb 0.00 -2.76 -0.14 0.00 0.26 0.00 0.00 34.13 31.49 1nkr s GLU 144 CO 0.00 0.29 1.62 0.00 -0.54 0.00 0.00 175.26 176.63 1nkr h ALA 145 N 6.49 -0.74 -3.16 6.30 0.00 -1.95 -3.42 119.26 122.78 1nkr h ALA 145 Ca -0.32 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 1nkr h ALA 145 Cb 1.20 0.46 -0.21 0.00 0.00 0.00 0.00 17.79 19.24 1nkr h ALA 145 CO 0.59 -0.95 -0.63 -1.01 0.00 0.00 0.00 179.25 177.25 1nkr s HIS 146 N -6.02 3.10 0.37 0.00 3.76 -1.26 -4.99 115.29 110.25 1nkr s HIS 146 Ca -0.17 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.20 1nkr s HIS 146 Cb 0.06 -2.09 -0.10 0.00 1.11 0.00 0.00 32.58 31.56 1nkr s HIS 146 CO 0.63 -0.11 1.33 -1.21 -0.85 0.00 0.00 174.74 174.53 1nkr s GLU 147 N 0.83 4.17 0.35 1.40 8.01 -1.26 -4.93 118.70 127.27 1nkr s GLU 147 Ca 0.02 2.25 -0.06 0.00 0.01 0.00 0.00 54.97 57.19 1nkr s GLU 147 Cb -0.14 -2.93 -0.05 0.00 -4.31 0.00 0.00 34.13 26.70 1nkr s GLU 147 CO 0.02 -0.36 0.64 1.03 0.01 0.00 0.00 175.26 176.60 1nkr s ARG 148 N -2.01 3.63 0.02 1.61 0.52 -0.53 -4.87 118.95 117.32 1nkr s ARG 148 Ca 0.53 0.10 -0.00 0.00 -0.52 0.00 0.00 55.73 55.83 1nkr s ARG 148 Cb -0.40 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1nkr s ARG 148 CO 0.53 0.08 -0.02 -0.98 0.02 0.00 0.00 175.30 174.93 1nkr s ARG 149 N -3.90 0.35 -0.08 3.54 1.70 -1.26 -0.56 118.95 118.73 1nkr s ARG 149 Ca 0.46 -0.66 -0.14 0.00 -0.47 0.00 0.00 55.73 54.92 1nkr s ARG 149 Cb -0.10 0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1nkr s ARG 149 CO 0.33 -0.06 0.35 -0.51 -1.08 0.00 0.00 175.30 174.33 1nkr s LEU 150 N -1.59 0.69 0.46 -1.89 1.43 -0.53 -5.00 118.68 112.25 1nkr s LEU 150 Ca -0.14 0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.16 1nkr s LEU 150 Cb -0.08 1.29 -0.07 0.00 0.03 0.00 0.00 46.19 47.35 1nkr s LEU 150 CO -0.02 -0.29 1.14 -2.16 0.23 0.00 0.00 176.35 175.25 1nkr s PRO 151 N -0.56 3.78 0.43 1.29 0.04 -1.26 -0.39 135.00 138.33 1nkr s PRO 151 Ca -0.07 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 1nkr s PRO 151 Cb -0.04 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1nkr s PRO 151 CO 0.03 -0.52 1.12 0.00 0.04 0.00 0.00 177.00 177.67 1nkr s ALA 152 N -1.60 3.04 0.53 8.56 0.00 -0.13 -4.65 121.76 127.49 1nkr s ALA 152 Ca 0.64 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 1nkr s ALA 152 Cb -0.27 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1nkr s ALA 152 CO 0.32 -0.47 1.01 0.20 0.00 0.00 0.00 175.76 176.82 1nkr s GLY 153 N -1.42 2.16 0.39 0.00 0.00 0.20 -4.89 107.32 103.76 1nkr s GLY 153 Ca 0.61 0.30 -0.24 0.00 0.00 0.00 0.00 44.72 45.39 1nkr s GLY 153 CO 0.32 0.60 0.84 -1.05 0.00 0.00 0.00 173.10 173.80 1nkr n PRO 154 N -1.56 1.02 -1.69 2.90 -0.02 -1.26 -3.98 135.00 130.42 1nkr n PRO 154 Ca 0.07 0.37 -0.51 0.00 -2.02 0.00 0.00 63.50 61.41 1nkr n PRO 154 Cb 0.54 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 1nkr n PRO 154 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nkr n LYS 155 N 0.43 1.82 -2.75 -0.52 4.81 -1.26 -4.79 118.16 115.90 1nkr n LYS 155 Ca 0.11 0.67 -0.42 0.00 -0.87 0.00 0.00 58.31 57.80 1nkr n LYS 155 Cb 0.37 -2.45 0.02 0.00 0.02 0.00 0.00 35.03 32.99 1nkr n LYS 155 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1nkr n VAL 156 N 4.86 5.90 -3.09 3.15 0.24 -0.57 -4.78 118.33 124.05 1nkr n VAL 156 Ca 0.24 -5.98 -0.14 0.00 -2.04 0.00 0.00 64.34 56.42 1nkr n VAL 156 Cb 0.24 -1.70 0.01 0.00 -1.47 0.00 0.00 33.84 30.92 1nkr n VAL 156 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nkr n ASN 157 N 0.34 -6.98 0.00 -1.34 3.02 -1.26 -3.97 115.26 105.07 1nkr n ASN 157 Ca 0.41 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 1nkr n ASN 157 Cb 0.28 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1nkr n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkr n GLY 158 N 0.27 3.09 3.75 7.41 0.00 -1.26 -5.06 105.19 113.39 1nkr n GLY 158 Ca 0.01 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1nkr n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkr s THR 159 N -0.47 4.73 -0.14 2.61 2.01 -1.25 -4.37 115.64 118.76 1nkr s THR 159 Ca 0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1nkr s THR 159 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1nkr s THR 159 CO 0.00 0.61 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.02 1nkr s PHE 160 N -0.91 2.77 0.01 4.92 0.40 0.02 -1.51 117.98 123.67 1nkr s PHE 160 Ca 0.14 -0.91 -0.15 0.00 -0.60 0.00 0.00 56.93 55.41 1nkr s PHE 160 Cb -0.12 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1nkr s PHE 160 CO 0.03 -0.38 0.33 -1.14 0.70 0.00 0.00 175.22 174.75 1nkr s GLN 161 N 0.61 0.75 -0.01 0.44 0.74 -1.26 -1.29 119.66 119.65 1nkr s GLN 161 Ca -0.09 -0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.07 1nkr s GLN 161 Cb -0.16 0.33 -0.01 0.00 1.10 0.00 0.00 33.01 34.27 1nkr s GLN 161 CO 0.03 -0.23 -0.17 0.00 -0.55 0.00 0.00 175.29 174.37 1nkr s ALA 162 N -1.86 1.42 -0.30 1.58 0.00 -0.32 0.60 121.76 122.89 1nkr s ALA 162 Ca -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1nkr s ALA 162 Cb -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1nkr s ALA 162 CO 0.01 0.35 0.04 -0.51 0.00 0.00 0.00 175.76 175.65 1nkr s ASP 163 N -0.40 4.96 -0.39 0.00 1.01 -1.26 -0.50 116.67 120.09 1nkr s ASP 163 Ca 0.06 -0.98 -0.18 0.00 0.71 0.00 0.00 52.55 52.16 1nkr s ASP 163 Cb -0.07 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.08 1nkr s ASP 163 CO -0.01 -0.23 0.51 -0.36 0.21 0.00 0.00 175.17 175.29 1nkr s PHE 164 N 1.38 3.15 0.33 4.23 0.40 0.15 -4.92 117.98 122.71 1nkr s PHE 164 Ca -0.01 -0.07 -0.27 0.00 -0.60 0.00 0.00 56.93 55.98 1nkr s PHE 164 Cb -0.18 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.26 1nkr s PHE 164 CO 0.00 -0.66 1.09 -1.25 0.70 0.00 0.00 175.22 175.10 1nkr s PRO 165 N 2.38 4.43 -0.01 0.24 0.04 -1.26 -1.12 135.00 139.70 1nkr s PRO 165 Ca 0.17 1.72 0.17 0.00 0.04 0.00 0.00 61.00 63.09 1nkr s PRO 165 Cb -0.16 -2.93 -0.20 0.00 0.04 0.00 0.00 34.50 31.25 1nkr s PRO 165 CO 0.15 0.04 0.64 1.28 0.04 0.00 0.00 177.00 179.15 1nkr n LEU 166 N 0.67 0.61 0.00 -3.56 4.77 0.32 -4.93 117.00 114.88 1nkr n LEU 166 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1nkr n LEU 166 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1nkr n LEU 166 CO 0.51 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1nkr n GLY 167 N 1.42 -2.03 3.70 -0.72 0.00 -1.23 -4.79 105.19 101.55 1nkr n GLY 167 Ca 0.02 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1nkr n GLY 167 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nkr s PRO 168 N 0.00 4.17 0.16 1.61 0.02 -1.26 -2.99 135.00 136.71 1nkr s PRO 168 Ca 0.00 2.45 -0.34 0.00 0.02 0.00 0.00 61.00 63.13 1nkr s PRO 168 Cb 0.00 -3.46 -0.14 0.00 0.02 0.00 0.00 34.50 30.91 1nkr s PRO 168 CO 0.00 -0.75 1.51 0.00 -0.33 0.00 0.00 177.00 177.43 1nkr n ALA 169 N 5.16 0.91 0.06 -1.55 0.00 -0.07 -4.65 120.51 120.38 1nkr n ALA 169 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1nkr n ALA 169 Cb 0.39 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1nkr n ALA 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nkr n THR 170 N 3.01 0.53 -4.38 0.00 -1.04 -1.26 -0.80 114.28 110.35 1nkr n THR 170 Ca 0.16 0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 62.14 1nkr n THR 170 Cb 0.28 -1.16 -0.13 0.00 -1.82 0.00 0.00 70.33 67.49 1nkr n THR 170 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1nkr s HIS 171 N -2.00 1.33 0.89 -1.42 3.76 -1.26 -4.88 115.29 111.71 1nkr s HIS 171 Ca 0.00 -0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 54.43 1nkr s HIS 171 Cb 0.00 -0.78 0.18 0.00 1.11 0.00 0.00 32.58 33.08 1nkr s HIS 171 CO 0.00 0.05 1.23 0.20 -0.85 0.00 0.00 174.74 175.37 1nkr s GLY 172 N -1.23 1.77 -0.04 -2.22 0.00 -1.26 -4.83 107.32 99.51 1nkr s GLY 172 Ca 0.02 -1.34 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 1nkr s GLY 172 CO 0.02 -0.63 1.32 -0.32 0.00 0.00 0.00 173.10 173.49 1nkr s GLY 173 N -4.84 -0.43 -0.23 0.20 0.00 -0.50 -4.98 107.32 96.55 1nkr s GLY 173 Ca 0.72 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 46.17 1nkr s GLY 173 CO 0.51 0.15 0.00 -1.59 0.00 0.00 0.00 173.10 172.16 1nkr s THR 174 N -2.32 3.79 0.13 0.90 2.01 -1.26 -0.28 115.64 118.61 1nkr s THR 174 Ca 0.14 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.86 1nkr s THR 174 Cb 0.05 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1nkr s THR 174 CO -0.05 0.40 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.92 1nkr s TYR 175 N 1.43 2.81 0.04 4.92 1.51 0.76 -0.77 117.35 128.05 1nkr s TYR 175 Ca 0.05 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1nkr s TYR 175 Cb -0.15 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1nkr s TYR 175 CO 0.00 0.48 -0.04 1.03 -1.11 0.00 0.00 175.55 175.91 1nkr s ARG 176 N -2.53 0.50 0.07 -0.62 0.52 0.29 -0.13 118.95 117.04 1nkr s ARG 176 Ca 0.25 -0.93 -0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1nkr s ARG 176 Cb -0.10 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 1nkr s ARG 176 CO 0.16 -0.06 -0.04 0.00 0.02 0.00 0.00 175.30 175.38 1nkr s PHE 178 N -3.76 0.37 0.21 0.00 0.40 -0.14 -0.53 117.98 114.53 1nkr s PHE 178 Ca 0.08 -0.68 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1nkr s PHE 178 Cb 0.07 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.29 1nkr s PHE 178 CO -0.08 -0.23 0.07 0.20 0.70 0.00 0.00 175.22 175.88 1nkr s GLY 179 N -1.89 1.64 0.24 4.36 0.00 -1.26 -0.05 107.32 110.36 1nkr s GLY 179 Ca -0.09 -1.41 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 1nkr s GLY 179 CO -0.03 -1.44 0.44 -1.35 0.00 0.00 0.00 173.10 170.72 1nkr s SER 180 N -3.33 -0.07 0.11 1.64 1.04 0.03 -0.90 113.70 112.22 1nkr s SER 180 Ca 0.30 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.86 1nkr s SER 180 Cb -0.09 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1nkr s SER 180 CO 0.21 -1.10 -0.15 -0.36 0.98 0.00 0.00 173.24 172.82 1nkr s PHE 181 N -4.02 2.61 0.46 5.02 0.08 -1.26 -0.55 117.98 120.32 1nkr s PHE 181 Ca 0.23 -0.22 0.19 0.00 0.12 0.00 0.00 56.93 57.25 1nkr s PHE 181 Cb 0.00 -1.38 1.18 0.00 -0.57 0.00 0.00 43.02 42.24 1nkr s PHE 181 CO 0.09 0.39 1.95 0.45 -0.10 0.00 0.00 175.22 178.00 1nkr h HIS 182 N 3.74 0.31 -0.13 0.36 3.86 -1.97 -1.42 115.15 119.90 1nkr h HIS 182 Ca -0.49 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.71 1nkr h HIS 182 Cb 1.17 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1nkr h HIS 182 CO 0.60 0.12 -0.01 -0.44 0.86 0.00 0.00 177.93 179.06 1nkr h ASP 183 N 0.27 0.17 -2.53 2.45 3.32 -2.01 -3.39 116.42 114.70 1nkr h ASP 183 Ca 0.32 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.77 1nkr h ASP 183 Cb 0.90 -0.04 -0.39 0.00 0.22 0.00 0.00 39.33 40.02 1nkr h ASP 183 CO -0.07 0.21 -0.89 -0.94 -1.72 0.00 0.00 179.24 175.83 1nkr s SER 184 N -6.92 2.41 0.22 6.45 1.04 -0.54 -5.00 113.70 111.36 1nkr s SER 184 Ca -0.06 -2.54 0.17 0.00 0.48 0.00 0.00 55.95 54.00 1nkr s SER 184 Cb 0.16 -0.44 0.85 0.00 0.10 0.00 0.00 66.02 66.70 1nkr s SER 184 CO 0.71 -0.25 1.53 -0.81 0.98 0.00 0.00 173.24 175.39 1nkr n PRO 185 N 3.56 0.11 -0.36 4.02 -0.04 -1.25 -2.45 135.00 138.59 1nkr n PRO 185 Ca 0.19 0.52 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 1nkr n PRO 185 Cb 0.41 -1.81 0.23 0.00 -0.04 0.00 0.00 33.50 32.29 1nkr n PRO 185 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nkr n TYR 186 N -2.04 0.74 -3.97 0.54 4.01 -1.26 -4.88 117.16 110.30 1nkr n TYR 186 Ca 0.00 -0.88 -0.30 0.00 -0.16 0.00 0.00 57.90 56.56 1nkr n TYR 186 Cb 0.09 -0.27 -0.16 0.00 -0.31 0.00 0.00 39.34 38.69 1nkr n TYR 186 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nkr s GLU 187 N -2.72 1.81 0.35 -0.72 2.02 -1.03 -1.01 118.70 117.41 1nkr s GLU 187 Ca 0.39 -0.95 0.09 0.00 0.02 0.00 0.00 54.97 54.51 1nkr s GLU 187 Cb 0.32 -2.53 -0.06 0.00 0.10 0.00 0.00 34.13 31.95 1nkr s GLU 187 CO 0.08 -0.53 -0.01 -1.58 0.02 0.00 0.00 175.26 173.24 1nkr s TRP 188 N 1.38 2.51 1.19 1.61 0.51 0.14 -4.41 118.94 121.86 1nkr s TRP 188 Ca -0.04 -0.48 -0.20 0.00 -2.12 0.00 0.00 56.10 53.26 1nkr s TRP 188 Cb -0.18 -1.51 0.29 0.00 -0.81 0.00 0.00 33.47 31.27 1nkr s TRP 188 CO -0.07 0.49 1.08 -1.13 -0.51 0.00 0.00 176.95 176.81 1nkr n SER 189 N -0.93 -1.93 -4.78 2.95 3.41 -0.08 -2.02 113.62 110.24 1nkr n SER 189 Ca -0.04 -1.18 -0.33 0.00 -0.26 0.00 0.00 58.87 57.06 1nkr n SER 189 Cb 0.63 -0.98 0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1nkr n SER 189 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nkr s LYS 190 N -5.45 3.05 0.44 4.33 1.02 0.25 -1.47 119.74 121.90 1nkr s LYS 190 Ca 0.70 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 57.78 1nkr s LYS 190 Cb -0.06 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1nkr s LYS 190 CO 0.53 -1.04 1.16 0.45 -0.92 0.00 0.00 175.35 175.52 1nkr s SER 191 N -2.61 6.32 0.97 2.83 0.15 -1.26 -4.20 113.70 115.89 1nkr s SER 191 Ca 0.66 2.29 -0.12 0.00 0.70 0.00 0.00 55.95 59.48 1nkr s SER 191 Cb -0.19 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.69 1nkr s SER 191 CO 0.39 -0.81 1.09 -0.94 1.20 0.00 0.00 173.24 174.16 1nkr s SER 192 N -1.31 2.86 0.41 5.45 1.04 0.31 -4.70 113.70 117.76 1nkr s SER 192 Ca 0.61 1.38 -0.26 0.00 0.48 0.00 0.00 55.95 58.16 1nkr s SER 192 Cb -0.29 -2.05 -0.09 0.00 0.10 0.00 0.00 66.02 63.70 1nkr s SER 192 CO 0.35 -3.01 1.29 -1.81 0.98 0.00 0.00 173.24 171.04 1nkr s ASP 193 N -3.34 6.33 0.47 7.02 1.01 -1.26 -4.59 116.67 122.30 1nkr s ASP 193 Ca 0.65 2.62 -0.24 0.00 0.71 0.00 0.00 52.55 56.29 1nkr s ASP 193 Cb -0.19 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.03 1nkr s ASP 193 CO 0.58 -0.84 1.39 -2.16 0.21 0.00 0.00 175.17 174.35 1nkr s PRO 194 N -2.25 3.59 -0.18 8.23 0.04 -1.26 -4.76 135.00 138.41 1nkr s PRO 194 Ca 0.57 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.93 1nkr s PRO 194 Cb -0.37 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.62 1nkr s PRO 194 CO 0.48 -0.86 -0.19 -1.17 0.04 0.00 0.00 177.00 175.30 1nkr s LEU 195 N -2.90 2.22 -0.27 -3.56 2.96 0.81 -4.92 118.68 113.03 1nkr s LEU 195 Ca 0.63 -0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 1nkr s LEU 195 Cb -0.42 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1nkr s LEU 195 CO 0.52 0.01 0.58 -0.22 -1.32 0.00 0.00 176.35 175.93 1nkr s LEU 196 N 1.22 4.08 -0.19 -0.68 2.96 -1.26 -0.17 118.68 124.63 1nkr s LEU 196 Ca 0.03 0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 54.42 1nkr s LEU 196 Cb -0.14 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 1nkr s LEU 196 CO -0.10 -0.36 0.10 -0.69 -1.32 0.00 0.00 176.35 173.98 1nkr s VAL 197 N 2.44 5.11 -0.06 1.68 1.01 0.62 -4.73 120.40 126.48 1nkr s VAL 197 Ca 0.24 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1nkr s VAL 197 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1nkr s VAL 197 CO 0.09 0.45 -0.22 -0.44 0.00 0.00 0.00 175.10 174.98 1nkr s SER 198 N 0.38 3.31 -0.10 3.32 0.01 0.98 -1.40 113.70 120.19 1nkr s SER 198 Ca 0.06 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1nkr s SER 198 Cb -0.12 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1nkr s SER 198 CO -0.01 0.27 -0.17 -0.69 0.41 0.00 0.00 173.24 173.05 1nkr s VAL 199 N -0.30 1.61 -1.93 3.43 1.01 -1.26 -0.97 120.40 121.99 1nkr s VAL 199 Ca 0.01 -0.72 0.15 0.00 0.00 0.00 0.00 61.98 61.42 1nkr s VAL 199 Cb -0.13 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 34.93 1nkr s VAL 199 CO 0.02 0.46 0.99 0.35 0.00 0.00 0.00 175.10 176.92