#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwb s LEU 2 N 0.00 4.33 -0.18 -0.89 2.96 0.11 -0.54 118.68 124.47 2kwb s LEU 2 Ca 0.00 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 2kwb s LEU 2 Cb 0.00 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.84 2kwb s LEU 2 CO 0.00 -0.00 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.22 2kwb s ILE 3 N 0.43 2.23 -0.09 6.68 1.01 -0.54 -1.04 121.20 129.89 2kwb s ILE 3 Ca 0.31 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2kwb s ILE 3 Cb -0.17 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2kwb s ILE 3 CO 0.14 0.53 -0.15 -0.72 0.00 0.00 0.00 174.94 174.74 2kwb s TYR 4 N 1.26 2.72 -0.18 3.97 1.13 0.31 0.01 117.35 126.57 2kwb s TYR 4 Ca 0.04 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.20 2kwb s TYR 4 Cb -0.13 -1.74 0.02 0.00 -1.10 0.00 0.00 41.96 39.01 2kwb s TYR 4 CO -0.11 -0.09 -0.20 0.15 -2.51 0.00 0.00 175.55 172.80 2kwb s LYS 5 N -0.07 2.97 1.17 -3.49 1.02 -0.06 -2.39 119.74 118.88 2kwb s LYS 5 Ca -0.03 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 54.95 2kwb s LYS 5 Cb -0.14 -2.56 0.27 0.00 -0.52 0.00 0.00 37.83 34.89 2kwb s LYS 5 CO 0.04 -0.21 1.13 -0.51 -0.92 0.00 0.00 175.35 174.88 2kwb s ASP 6 N 1.30 1.23 -0.03 2.83 1.01 -1.26 -0.93 116.67 120.82 2kwb s ASP 6 Ca 0.05 0.61 -0.20 0.00 0.71 0.00 0.00 52.55 53.72 2kwb s ASP 6 Cb -0.13 -0.85 -0.13 0.00 1.01 0.00 0.00 42.92 42.82 2kwb s ASP 6 CO -0.13 -3.93 0.88 0.40 0.21 0.00 0.00 175.17 172.60 2kwb h ILE 7 N -2.45 0.42 0.00 0.77 2.04 -1.96 -3.32 117.51 113.02 2kwb h ILE 7 Ca -0.45 -0.75 -0.36 0.00 1.00 0.00 0.00 64.86 64.30 2kwb h ILE 7 Cb 1.29 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 2kwb h ILE 7 CO 0.36 0.10 -2.33 2.22 0.00 0.00 0.00 178.15 178.49 2kwb n PHE 8 N -5.09 0.00 1.32 1.37 -1.74 -1.26 -4.41 117.46 107.65 2kwb n PHE 8 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2kwb n PHE 8 Cb 0.26 -0.89 0.01 0.00 1.52 0.00 0.00 39.48 40.37 2kwb n PHE 8 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2kwb n THR 9 N -3.31 0.05 -0.36 1.97 -2.24 -1.26 -4.25 114.28 104.88 2kwb n THR 9 Ca -0.42 -0.03 0.29 0.00 -2.27 0.00 0.00 64.05 61.62 2kwb n THR 9 Cb 0.93 -0.31 0.60 0.00 -2.10 0.00 0.00 70.33 69.45 2kwb n THR 9 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kwb h ASP 10 N 0.10 0.29 -0.98 3.42 1.82 -1.77 0.00 116.42 119.30 2kwb h ASP 10 Ca 0.00 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 56.76 2kwb h ASP 10 Cb 0.35 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 2kwb h ASP 10 CO 0.01 0.00 0.64 -0.78 -1.61 0.00 0.00 179.24 177.50 2kwb h ASP 11 N 0.23 1.05 -0.03 2.28 3.58 -1.92 -2.15 116.42 119.47 2kwb h ASP 11 Ca 0.65 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 58.02 2kwb h ASP 11 Cb 1.97 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 2kwb h ASP 11 CO -0.25 0.71 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.55 2kwb h GLU 12 N 1.21 0.38 -4.57 0.28 4.57 -1.34 -3.49 114.58 111.63 2kwb h GLU 12 Ca 0.39 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2kwb h GLU 12 Cb 0.04 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kwb h GLU 12 CO -0.13 0.56 -0.86 -0.11 -1.18 0.00 0.00 179.01 177.29 2kwb n LEU 13 N -4.18 -5.70 -4.55 1.64 7.94 -0.81 -4.98 117.00 106.35 2kwb n LEU 13 Ca -0.00 2.74 -0.36 0.00 -1.11 0.00 0.00 56.01 57.28 2kwb n LEU 13 Cb 0.34 -3.03 -0.11 0.00 0.53 0.00 0.00 43.42 41.15 2kwb n LEU 13 CO 0.40 -2.53 -0.25 -0.44 -1.11 0.00 0.00 177.39 173.46 2kwb s SER 14 N -0.51 5.48 0.00 1.96 0.01 -1.01 -5.03 113.70 114.60 2kwb s SER 14 Ca 0.00 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 2kwb s SER 14 Cb 0.00 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 2kwb s SER 14 CO 0.00 0.06 0.00 -0.94 0.41 0.00 0.00 173.24 172.78 2kwb s SER 15 N 1.03 0.04 0.00 2.44 1.04 -1.26 -0.53 113.70 116.47 2kwb s SER 15 Ca 0.05 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2kwb s SER 15 Cb -0.14 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2kwb s SER 15 CO 0.03 -0.07 0.00 -0.90 0.98 0.00 0.00 173.24 173.28 2kwb n ASP 16 N 2.75 0.45 -1.25 7.02 5.68 -0.20 -5.01 116.55 125.99 2kwb n ASP 16 Ca -0.15 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.13 2kwb n ASP 16 Cb 0.59 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 2kwb n ASP 16 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kwb n SER 17 N 0.00 -0.01 -4.66 -1.12 3.41 -1.26 0.06 113.62 110.05 2kwb n SER 17 Ca 0.00 -2.00 -0.40 0.00 -0.26 0.00 0.00 58.87 56.21 2kwb n SER 17 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kwb s PHE 18 N -0.00 3.37 0.41 7.33 0.08 -1.26 -5.00 117.98 122.91 2kwb s PHE 18 Ca 0.17 0.89 -0.25 0.00 0.12 0.00 0.00 56.93 57.86 2kwb s PHE 18 Cb 0.19 -2.77 -0.08 0.00 -0.57 0.00 0.00 43.02 39.79 2kwb s PHE 18 CO -0.08 -0.17 1.16 -2.14 -0.10 0.00 0.00 175.22 173.89 2kwb s PRO 19 N 1.88 4.01 0.23 0.24 0.02 -1.26 -5.07 135.00 135.07 2kwb s PRO 19 Ca 0.28 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2kwb s PRO 19 Cb -0.16 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 2kwb s PRO 19 CO 0.10 -0.34 0.02 0.00 -0.33 0.00 0.00 177.00 176.45 2kwb s MET 20 N -2.38 1.34 -0.02 5.54 0.23 -1.26 -4.90 119.30 117.84 2kwb s MET 20 Ca 0.58 -1.69 0.03 0.00 -1.03 0.00 0.00 55.69 53.59 2kwb s MET 20 Cb -0.29 -0.54 -0.00 0.00 -1.53 0.00 0.00 34.83 32.47 2kwb s MET 20 CO 0.37 -0.14 -0.11 0.15 -2.03 0.00 0.00 175.02 173.26 2kwb s LYS 21 N -3.90 1.08 -0.47 3.16 1.02 -1.15 -4.94 119.74 114.55 2kwb s LYS 21 Ca 0.30 -0.38 -0.24 0.00 0.02 0.00 0.00 55.97 55.67 2kwb s LYS 21 Cb 0.06 -1.00 0.03 0.00 -0.52 0.00 0.00 37.83 36.40 2kwb s LYS 21 CO 0.09 0.17 0.85 -1.17 -0.92 0.00 0.00 175.35 174.36 2kwb s LEU 22 N 0.05 4.17 -0.04 3.17 2.96 -1.26 0.26 118.68 127.99 2kwb s LEU 22 Ca -0.01 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 2kwb s LEU 22 Cb -0.08 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 2kwb s LEU 22 CO 0.00 -1.00 0.22 0.54 -1.32 0.00 0.00 176.35 174.79 2kwb s VAL 23 N 3.51 5.38 0.00 1.68 0.11 0.56 -4.24 120.40 127.40 2kwb s VAL 23 Ca 0.32 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 2kwb s VAL 23 Cb -0.12 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2kwb s VAL 23 CO 0.23 0.46 0.00 -0.67 -3.33 0.00 0.00 175.10 171.79 2kwb n ASP 24 N 1.43 -3.80 -2.30 3.54 2.03 -1.26 -2.21 116.55 113.99 2kwb n ASP 24 Ca -0.14 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.99 2kwb n ASP 24 Cb 0.53 -2.74 -0.02 0.00 -0.72 0.00 0.00 41.12 38.17 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -0.58 -5.03 0.00 1.67 8.00 -1.26 -4.78 116.55 114.57 2kwb n ASP 25 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2kwb n ASP 25 Cb 0.29 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kwb n LEU 26 N -2.83 0.52 -4.27 0.64 7.94 -0.94 -5.04 117.00 113.02 2kwb n LEU 26 Ca -0.20 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.46 2kwb n LEU 26 Cb 0.65 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.47 2kwb n LEU 26 CO 0.24 -0.05 -0.51 0.68 -1.11 0.00 0.00 177.39 176.63 2kwb s VAL 27 N -1.58 1.68 0.30 1.96 -7.23 -0.98 -1.56 120.40 113.00 2kwb s VAL 27 Ca 0.00 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 2kwb s VAL 27 Cb 0.00 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.35 2kwb s VAL 27 CO 0.00 -0.01 0.66 -0.31 -0.31 0.00 0.00 175.10 175.13 2kwb s TYR 28 N -1.09 3.41 -0.07 2.82 2.02 0.84 -0.32 117.35 124.97 2kwb s TYR 28 Ca 0.06 1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 57.77 2kwb s TYR 28 Cb -0.10 -2.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 2kwb s TYR 28 CO 0.04 0.13 -0.01 -1.21 -1.57 0.00 0.00 175.55 172.93 2kwb s GLU 29 N -3.11 2.91 -0.22 -0.62 2.02 0.14 -2.59 118.70 117.23 2kwb s GLU 29 Ca 0.50 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.99 2kwb s GLU 29 Cb -0.11 -2.74 0.08 0.00 0.10 0.00 0.00 34.13 31.46 2kwb s GLU 29 CO 0.22 0.68 0.11 0.12 0.02 0.00 0.00 175.26 176.41 2kwb s PHE 30 N -0.91 0.25 -0.22 1.61 5.36 -0.74 -2.95 117.98 120.37 2kwb s PHE 30 Ca 0.14 -0.55 -0.05 0.00 -0.96 0.00 0.00 56.93 55.51 2kwb s PHE 30 Cb -0.11 -0.78 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 2kwb s PHE 30 CO 0.04 -0.65 -0.01 -1.59 -1.46 0.00 0.00 175.22 171.55 2kwb s LYS 31 N 2.12 3.50 0.00 10.12 -2.85 -1.26 -0.36 119.74 131.02 2kwb s LYS 31 Ca 0.05 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 2kwb s LYS 31 Cb -0.16 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 2kwb s LYS 31 CO -0.21 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.53 2kwb n GLY 32 N 4.61 5.78 3.73 0.59 0.00 -1.04 -5.03 105.19 113.83 2kwb n GLY 32 Ca -0.17 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2kwb n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwb s LYS 33 N 1.71 2.14 -0.41 1.61 -0.14 -1.26 -4.33 119.74 119.07 2kwb s LYS 33 Ca 0.00 -2.14 -0.17 0.00 -1.36 0.00 0.00 55.97 52.30 2kwb s LYS 33 Cb 0.00 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.43 2kwb s LYS 33 CO 0.00 -0.25 0.41 -1.01 -0.76 0.00 0.00 175.35 173.74 2kwb s HIS 34 N -2.75 3.18 -0.00 3.18 3.76 -1.26 -0.97 115.29 120.43 2kwb s HIS 34 Ca 0.26 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.82 2kwb s HIS 34 Cb 0.04 -2.83 -0.01 0.00 1.11 0.00 0.00 32.58 30.89 2kwb s HIS 34 CO 0.14 -0.66 -0.06 0.14 -0.85 0.00 0.00 174.74 173.45 2kwb s VAL 35 N 2.06 0.46 -0.20 -0.90 -7.23 0.25 -4.95 120.40 109.89 2kwb s VAL 35 Ca 0.11 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2kwb s VAL 35 Cb -0.17 -0.40 0.03 0.00 0.56 0.00 0.00 36.38 36.40 2kwb s VAL 35 CO 0.13 0.09 -0.17 0.68 -0.31 0.00 0.00 175.10 175.51 2kwb s VAL 36 N -0.23 2.09 -0.44 1.32 -7.23 -1.26 -1.26 120.40 113.39 2kwb s VAL 36 Ca 0.01 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.89 2kwb s VAL 36 Cb -0.03 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.98 2kwb s VAL 36 CO -0.00 0.38 0.35 -0.60 -0.31 0.00 0.00 175.10 174.92 2kwb s ARG 37 N 1.24 2.98 -0.41 4.82 3.52 0.16 -3.46 118.95 127.80 2kwb s ARG 37 Ca 0.01 -1.14 -0.25 0.00 -0.13 0.00 0.00 55.73 54.22 2kwb s ARG 37 Cb -0.15 -4.04 0.02 0.00 -1.56 0.00 0.00 34.95 29.22 2kwb s ARG 37 CO -0.11 -0.87 0.90 0.21 -0.81 0.00 0.00 175.30 174.62 2kwb s LYS 38 N 1.70 3.68 0.00 5.12 2.20 0.03 -1.49 119.74 130.98 2kwb s LYS 38 Ca 0.05 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2kwb s LYS 38 Cb -0.21 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2kwb s LYS 38 CO 0.09 -1.06 0.00 -1.91 -0.36 0.00 0.00 175.35 172.11 2kwb n GLU 39 N 6.89 0.00 0.00 4.03 2.13 -1.26 -1.36 120.64 131.07 2kwb n GLU 39 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2kwb n GLU 39 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kwb n GLY 40 N 0.00 1.00 3.70 8.31 0.00 -1.26 -4.79 105.19 112.15 2kwb n GLY 40 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kwb n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwb s GLU 41 N 0.00 3.27 -0.93 1.61 0.41 -0.46 -5.05 118.70 117.54 2kwb s GLU 41 Ca 0.00 -0.35 -0.24 0.00 -0.41 0.00 0.00 54.97 53.97 2kwb s GLU 41 Cb 0.00 -2.94 0.03 0.00 -1.78 0.00 0.00 34.13 29.44 2kwb s GLU 41 CO 0.00 0.63 1.49 0.42 -0.49 0.00 0.00 175.26 177.31 2kwb s ILE 42 N -0.65 3.80 -0.25 -1.63 -1.09 -1.26 -0.79 121.20 119.32 2kwb s ILE 42 Ca 0.11 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2kwb s ILE 42 Cb -0.12 -4.85 -0.17 0.00 -1.58 0.00 0.00 42.46 35.74 2kwb s ILE 42 CO 0.02 -1.76 -0.20 0.55 -1.23 0.00 0.00 174.94 172.32 2kwb n VAL 43 N 6.92 1.53 -2.65 2.92 3.14 -1.23 -5.02 118.33 123.94 2kwb n VAL 43 Ca 0.27 -0.51 -0.05 0.00 -2.96 0.00 0.00 64.34 61.09 2kwb n VAL 43 Cb 0.50 -1.58 -0.04 0.00 -1.06 0.00 0.00 33.84 31.66 2kwb n VAL 43 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kwb n LEU 44 N -3.56 -6.16 -3.67 6.55 7.99 -1.22 -5.06 117.00 111.86 2kwb n LEU 44 Ca -0.47 2.19 -0.27 0.00 -0.01 0.00 0.00 56.01 57.45 2kwb n LEU 44 Cb 0.96 -3.18 -0.17 0.00 -0.11 0.00 0.00 43.42 40.92 2kwb n LEU 44 CO 0.21 -3.96 -0.35 0.00 -1.51 0.00 0.00 177.39 171.79 2kwb s ALA 45 N -0.68 0.77 -0.88 -1.18 0.00 -1.26 -5.07 121.76 113.47 2kwb s ALA 45 Ca -0.26 -0.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 2kwb s ALA 45 Cb 0.02 -1.15 -0.15 0.00 0.00 0.00 0.00 23.12 21.83 2kwb s ALA 45 CO 0.74 -1.22 1.91 0.41 0.00 0.00 0.00 175.76 177.60 2kwb n GLY 46 N 5.14 1.71 3.68 0.00 0.00 -1.26 -4.91 105.19 109.56 2kwb n GLY 46 Ca -0.08 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 47 N 5.83 6.17 0.95 1.61 1.04 -1.26 -5.10 113.70 122.94 2kwb s SER 47 Ca 0.63 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 2kwb s SER 47 Cb 0.08 -2.11 0.19 0.00 0.10 0.00 0.00 66.02 64.28 2kwb s SER 47 CO 0.15 0.08 1.31 0.54 0.98 0.00 0.00 173.24 176.29 2kwb s ASN 48 N 0.88 3.23 -0.30 7.02 4.22 -1.26 -4.90 114.94 123.83 2kwb s ASN 48 Ca 0.09 0.28 -0.23 0.00 -2.14 0.00 0.00 52.86 50.85 2kwb s ASN 48 Cb -0.13 -0.35 -0.25 0.00 1.28 0.00 0.00 41.25 41.80 2kwb s ASN 48 CO 0.03 -2.66 1.67 -0.81 -2.04 0.00 0.00 177.10 173.29 2kwb n PRO 49 N -3.71 0.60 -3.70 3.55 -0.04 -1.26 -4.77 135.00 125.66 2kwb n PRO 49 Ca 0.15 -1.24 -0.11 0.00 -0.04 0.00 0.00 63.50 62.26 2kwb n PRO 49 Cb 0.60 -2.58 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 2kwb n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kwb s SER 50 N 5.95 -0.40 0.00 3.54 0.15 -1.26 -4.82 113.70 116.85 2kwb s SER 50 Ca 0.56 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2kwb s SER 50 Cb 0.13 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2kwb s SER 50 CO 0.22 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.47 2kwb n ALA 51 N 4.31 0.00 -0.78 5.45 0.00 -1.26 -4.84 120.51 123.39 2kwb n ALA 51 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.21 2kwb n ALA 51 Cb 0.54 -0.90 0.33 0.00 0.00 0.00 0.00 19.45 19.42 2kwb n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 52 N -0.78 4.07 -1.34 0.00 -0.58 -1.26 -4.59 120.64 116.15 2kwb n GLU 52 Ca 0.00 -2.83 -0.33 0.00 -0.42 0.00 0.00 57.16 53.58 2kwb n GLU 52 Cb 0.25 -2.17 0.09 0.00 -0.57 0.00 0.00 31.44 29.03 2kwb n GLU 52 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2kwb n GLU 53 N 0.25 2.67 -1.72 3.49 0.28 -1.26 -4.93 120.64 119.42 2kwb n GLU 53 Ca 0.31 -3.29 -0.18 0.00 -0.16 0.00 0.00 57.16 53.84 2kwb n GLU 53 Cb 1.20 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.71 2kwb n GLU 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2kwb s GLY 54 N -1.85 -0.77 0.59 -1.84 0.00 -1.26 -4.73 107.32 97.46 2kwb s GLY 54 Ca 0.63 -1.55 0.37 0.00 0.00 0.00 0.00 44.72 44.17 2kwb s GLY 54 CO 0.01 4.10 2.16 0.00 0.00 0.00 0.00 173.10 179.36 2kwb h ALA 55 N 11.31 1.05 -0.53 3.20 0.00 -2.00 -2.20 119.26 130.09 2kwb h ALA 55 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kwb h ALA 55 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kwb h ALA 55 CO 1.07 0.03 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 2kwb n GLU 56 N -3.19 3.10 -4.32 0.00 -0.00 -1.26 -4.91 120.64 110.06 2kwb n GLU 56 Ca -0.01 -2.28 -0.24 0.00 -0.00 0.00 0.00 57.16 54.63 2kwb n GLU 56 Cb 0.20 -1.73 -0.08 0.00 -0.00 0.00 0.00 31.44 29.82 2kwb n GLU 56 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2kwb s ASP 57 N -0.84 4.27 0.15 -1.84 2.15 -0.83 -5.02 116.67 114.72 2kwb s ASP 57 Ca 0.41 -0.83 0.20 0.00 0.43 0.00 0.00 52.55 52.76 2kwb s ASP 57 Cb 0.26 -0.64 0.84 0.00 -0.30 0.00 0.00 42.92 43.08 2kwb s ASP 57 CO 0.21 -0.09 1.62 0.47 -0.17 0.00 0.00 175.17 177.21 2kwb n ASP 58 N -0.88 0.40 -0.94 -0.34 8.00 -1.26 -4.90 116.55 116.62 2kwb n ASP 58 Ca -0.05 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2kwb n ASP 58 Cb 0.60 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 59 N 0.05 0.72 0.17 0.44 0.00 -1.26 -4.95 105.19 100.35 2kwb n GLY 59 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kwb n SER 60 N -0.94 0.25 0.12 1.61 2.88 -1.26 -3.78 113.62 112.49 2kwb n SER 60 Ca 0.00 -1.47 0.13 0.00 -1.33 0.00 0.00 58.87 56.20 2kwb n SER 60 Cb 0.37 -0.12 0.37 0.00 -0.75 0.00 0.00 64.21 64.08 2kwb n SER 60 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2kwb h ASP 61 N 0.09 0.00 0.63 -3.46 2.03 -1.99 -3.27 116.42 110.45 2kwb h ASP 61 Ca 0.00 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.03 2kwb h ASP 61 Cb 0.12 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.59 2kwb h ASP 61 CO 0.00 0.00 -1.43 1.05 -1.03 0.00 0.00 179.24 177.83 2kwb h GLU 62 N 0.00 0.09 -0.36 4.15 9.09 -1.99 -3.29 114.58 122.27 2kwb h GLU 62 Ca 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.26 2kwb h GLU 62 Cb 0.77 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 2kwb h GLU 62 CO 0.00 0.87 0.00 0.72 0.05 0.00 0.00 179.01 180.65 2kwb n HIS 63 N -3.28 0.46 -2.38 2.06 8.25 -1.23 -4.85 115.22 114.24 2kwb n HIS 63 Ca -0.12 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 56.71 2kwb n HIS 63 Cb 1.01 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kwb s VAL 64 N -1.60 3.83 -1.30 1.59 1.01 -1.24 -4.77 120.40 117.91 2kwb s VAL 64 Ca 0.21 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 2kwb s VAL 64 Cb 0.11 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2kwb s VAL 64 CO 0.13 0.14 2.23 1.21 0.00 0.00 0.00 175.10 178.81 2kwb n GLU 65 N 3.55 2.60 -4.21 2.72 2.13 -0.55 -4.90 120.64 121.98 2kwb n GLU 65 Ca 0.08 -2.35 -0.35 0.00 0.66 0.00 0.00 57.16 55.20 2kwb n GLU 65 Cb 0.45 -3.13 -0.08 0.00 0.27 0.00 0.00 31.44 28.95 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2kwb s ARG 66 N 3.51 3.12 0.00 5.31 1.70 -1.26 -0.66 118.95 130.67 2kwb s ARG 66 Ca 0.51 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2kwb s ARG 66 Cb 0.14 -2.92 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 2kwb s ARG 66 CO -0.04 0.72 0.00 0.41 -1.08 0.00 0.00 175.30 175.31 2kwb n GLY 67 N 2.03 0.14 3.56 3.88 0.00 -0.39 -4.97 105.19 109.44 2kwb n GLY 67 Ca -0.19 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N -0.45 3.59 0.41 -0.61 -4.36 -1.26 -0.58 121.20 117.95 2kwb s ILE 68 Ca 0.00 -0.52 0.21 0.00 -0.26 0.00 0.00 60.65 60.08 2kwb s ILE 68 Cb 0.00 -2.46 0.41 0.00 1.25 0.00 0.00 42.46 41.66 2kwb s ILE 68 CO 0.00 0.60 1.76 -0.78 0.24 0.00 0.00 174.94 176.76 2kwb h ASP 69 N 5.30 0.38 0.15 4.36 3.58 -1.35 -1.77 116.42 127.07 2kwb h ASP 69 Ca -0.48 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.07 2kwb h ASP 69 Cb 1.17 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 2kwb h ASP 69 CO 0.52 0.05 -0.44 0.40 -2.88 0.00 0.00 179.24 176.89 2kwb h ILE 70 N 0.33 0.12 -0.01 2.25 2.04 -1.94 -1.03 117.51 119.26 2kwb h ILE 70 Ca 0.61 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 66.28 2kwb h ILE 70 Cb 1.67 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2kwb h ILE 70 CO -0.28 0.00 -0.84 -0.37 0.00 0.00 0.00 178.15 176.66 2kwb h VAL 71 N -0.69 1.45 -0.31 1.67 -1.51 -1.72 -3.15 116.25 111.99 2kwb h VAL 71 Ca 0.01 -2.46 -0.06 0.00 -1.23 0.00 0.00 66.70 62.96 2kwb h VAL 71 Cb 0.71 2.36 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 2kwb h VAL 71 CO -0.24 0.72 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.67 2kwb h LEU 72 N 0.16 0.49 -0.24 4.19 3.38 -1.33 0.42 115.31 122.38 2kwb h LEU 72 Ca -0.04 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2kwb h LEU 72 Cb 1.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2kwb h LEU 72 CO 0.13 0.61 0.06 -1.13 0.09 0.00 0.00 178.44 178.21 2kwb h ASN 73 N 0.48 0.04 -0.00 -0.43 -0.73 -1.14 -3.03 115.58 110.77 2kwb h ASN 73 Ca 0.09 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.30 2kwb h ASN 73 Cb 0.43 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.06 2kwb h ASN 73 CO 0.02 0.06 -0.33 1.41 -0.37 0.00 0.00 177.43 178.22 2kwb n HIS 74 N -5.07 0.00 -3.06 0.67 8.25 -1.14 -5.01 115.22 109.86 2kwb n HIS 74 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2kwb n HIS 74 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kwb n LYS 75 N 0.29 -1.42 -3.61 -0.41 5.02 0.14 -4.66 118.16 113.51 2kwb n LYS 75 Ca 0.11 1.54 -0.36 0.00 -2.02 0.00 0.00 58.31 57.57 2kwb n LYS 75 Cb 0.49 -5.68 -0.08 0.00 -0.02 0.00 0.00 35.03 29.74 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -3.90 4.18 0.31 -0.35 1.43 -0.39 -1.18 118.68 118.78 2kwb s LEU 76 Ca 0.02 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2kwb s LEU 76 Cb -0.01 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 2kwb s LEU 76 CO 0.75 0.09 0.95 0.54 0.23 0.00 0.00 176.35 178.91 2kwb s VAL 77 N 0.74 4.19 0.36 -1.59 0.11 0.47 -4.75 120.40 119.92 2kwb s VAL 77 Ca 0.11 1.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.87 2kwb s VAL 77 Cb -0.13 -4.05 -0.09 0.00 -1.53 0.00 0.00 36.38 30.59 2kwb s VAL 77 CO 0.03 0.18 0.78 -1.83 -3.33 0.00 0.00 175.10 170.93 2kwb s GLU 78 N -1.95 4.00 -0.07 1.54 4.04 -1.26 -1.87 118.70 123.12 2kwb s GLU 78 Ca 0.49 0.71 -0.06 0.00 0.04 0.00 0.00 54.97 56.15 2kwb s GLU 78 Cb -0.20 -2.38 0.02 0.00 0.02 0.00 0.00 34.13 31.60 2kwb s GLU 78 CO 0.25 0.08 0.19 1.41 -1.84 0.00 0.00 175.26 175.35 2kwb s MET 79 N -3.19 0.21 0.38 -4.83 1.75 0.17 -4.96 119.30 108.82 2kwb s MET 79 Ca 0.55 0.29 0.08 0.00 -1.25 0.00 0.00 55.69 55.36 2kwb s MET 79 Cb -0.10 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 2kwb s MET 79 CO 0.19 -0.05 0.25 -0.80 -0.65 0.00 0.00 175.02 173.96 2kwb s ASN 80 N 0.29 4.84 0.30 1.11 0.01 -1.26 -2.32 114.94 117.91 2kwb s ASN 80 Ca -0.02 -0.78 0.03 0.00 -0.71 0.00 0.00 52.86 51.38 2kwb s ASN 80 Cb -0.03 -0.67 0.60 0.00 0.41 0.00 0.00 41.25 41.56 2kwb s ASN 80 CO -0.01 -0.46 1.87 0.00 -1.51 0.00 0.00 177.10 176.98 2kwb h TYR 82 N 0.94 0.00 0.02 0.00 -0.00 -2.00 0.38 116.97 116.31 2kwb h TYR 82 Ca 0.45 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.85 2kwb h TYR 82 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.12 2kwb h TYR 82 CO -0.00 0.09 -2.03 0.39 -0.00 0.00 0.00 178.16 176.60 2kwb n GLU 83 N -3.45 0.67 0.09 0.10 1.02 0.33 -4.36 120.64 115.04 2kwb n GLU 83 Ca -0.01 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2kwb n GLU 83 Cb 0.24 -1.67 0.19 0.00 -0.02 0.00 0.00 31.44 30.18 2kwb n GLU 83 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kwb h ASP 84 N 0.01 0.00 -0.72 1.62 3.58 -0.09 -3.40 116.42 117.42 2kwb h ASP 84 Ca -0.42 -0.12 0.09 0.00 0.42 0.00 0.00 57.03 57.01 2kwb h ASP 84 Cb 2.08 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 43.01 2kwb h ASP 84 CO 0.05 0.06 -0.48 0.00 -2.88 0.00 0.00 179.24 175.98 2kwb h ALA 85 N 2.39 -0.38 0.00 -0.78 0.00 -0.45 0.47 119.26 120.51 2kwb h ALA 85 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2kwb h ALA 85 Cb 0.81 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2kwb h ALA 85 CO 0.00 -0.87 -0.37 1.03 0.00 0.00 0.00 179.25 179.04 2kwb h SER 86 N -0.17 0.00 0.31 0.00 0.87 -1.86 -2.73 113.55 109.97 2kwb h SER 86 Ca 0.18 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2kwb h SER 86 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kwb h SER 86 CO -0.78 0.37 -0.15 0.24 -0.53 0.00 0.00 176.83 175.99 2kwb h MET 87 N 0.00 -0.40 -0.42 2.24 2.07 -0.45 -2.64 114.93 115.32 2kwb h MET 87 Ca -0.00 0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2kwb h MET 87 Cb 0.78 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.58 2kwb h MET 87 CO 0.05 -0.27 0.26 0.27 1.07 0.00 0.00 176.91 178.29 2kwb h PHE 88 N -0.78 0.54 0.31 -0.22 -0.00 -0.74 0.11 116.94 116.17 2kwb h PHE 88 Ca -0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 57.93 2kwb h PHE 88 Cb 0.32 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.07 2kwb h PHE 88 CO 0.04 0.36 -0.23 -0.22 -0.00 0.00 0.00 178.31 178.26 2kwb h LYS 89 N 0.58 -0.52 -0.39 6.09 1.63 -1.56 0.85 116.57 123.24 2kwb h LYS 89 Ca 0.15 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 2kwb h LYS 89 Cb -0.02 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2kwb h LYS 89 CO -0.03 -0.35 -0.04 0.00 -3.45 0.00 0.00 179.45 175.59 2kwb h ALA 90 N 0.09 1.22 0.43 5.00 0.00 -1.16 -2.59 119.26 122.25 2kwb h ALA 90 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2kwb h ALA 90 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kwb h ALA 90 CO -0.00 0.51 -0.37 -0.92 0.00 0.00 0.00 179.25 178.47 2kwb h TYR 91 N 0.59 -0.99 -0.80 0.00 5.03 -0.43 -1.68 116.97 118.70 2kwb h TYR 91 Ca 0.12 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.49 2kwb h TYR 91 Cb 0.43 0.38 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 2kwb h TYR 91 CO 0.02 -0.53 0.52 0.82 -1.32 0.00 0.00 178.16 177.67 2kwb h ILE 92 N -0.80 1.06 0.67 1.81 1.08 -0.77 0.21 117.51 120.77 2kwb h ILE 92 Ca -0.04 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 2kwb h ILE 92 Cb 0.70 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2kwb h ILE 92 CO -0.02 0.16 -0.32 0.50 -0.69 0.00 0.00 178.15 177.78 2kwb h LYS 93 N 0.90 -0.87 -0.15 2.37 3.64 -1.19 -0.13 116.57 121.13 2kwb h LYS 93 Ca 0.34 0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.60 2kwb h LYS 93 Cb 0.19 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2kwb h LYS 93 CO -0.11 -0.58 -0.65 0.87 -2.27 0.00 0.00 179.45 176.71 2kwb h LYS 94 N -0.91 0.56 0.54 1.90 1.57 -1.08 -2.63 116.57 116.50 2kwb h LYS 94 Ca -0.09 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 2kwb h LYS 94 Cb 0.70 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.08 2kwb h LYS 94 CO 0.15 1.02 -0.26 0.35 -0.57 0.00 0.00 179.45 180.15 2kwb h PHE 95 N 0.41 -0.67 -0.68 -1.35 3.57 -0.62 -1.20 116.94 116.40 2kwb h PHE 95 Ca -0.01 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.56 2kwb h PHE 95 Cb 1.22 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 2kwb h PHE 95 CO 0.05 -0.41 0.33 1.98 -2.23 0.00 0.00 178.31 178.04 2kwb h MET 96 N -0.74 0.56 -0.28 1.11 4.05 -1.05 -0.91 114.93 117.67 2kwb h MET 96 Ca -0.07 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2kwb h MET 96 Cb 0.56 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2kwb h MET 96 CO 0.12 0.37 0.12 -0.22 0.23 0.00 0.00 176.91 177.53 2kwb h LYS 97 N 0.57 0.41 0.16 0.39 1.63 -1.41 -2.10 116.57 116.22 2kwb h LYS 97 Ca 0.33 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 2kwb h LYS 97 Cb 0.34 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2kwb h LYS 97 CO -0.26 0.42 -0.08 -0.97 -3.45 0.00 0.00 179.45 175.11 2kwb h ASN 98 N 0.31 -0.18 -0.62 4.20 -0.73 -0.68 -1.21 115.58 116.68 2kwb h ASN 98 Ca 0.09 -0.13 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2kwb h ASN 98 Cb 0.16 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 2kwb h ASN 98 CO -0.01 0.03 0.19 -0.37 -0.37 0.00 0.00 177.43 176.90 2kwb h VAL 99 N -0.38 1.25 -0.21 2.57 -1.51 -1.22 0.19 116.25 116.94 2kwb h VAL 99 Ca -0.02 -0.84 -0.04 0.00 -1.23 0.00 0.00 66.70 64.57 2kwb h VAL 99 Cb 0.30 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 2kwb h VAL 99 CO 0.04 0.32 -0.02 0.40 -1.23 0.00 0.00 177.57 177.07 2kwb h ILE 100 N 0.88 1.27 -0.37 7.19 1.08 -1.40 -0.08 117.51 126.08 2kwb h ILE 100 Ca 0.20 -0.95 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 2kwb h ILE 100 Cb 0.30 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2kwb h ILE 100 CO -0.01 0.29 0.13 -0.78 -0.69 0.00 0.00 178.15 177.10 2kwb h ASP 101 N 0.12 0.48 0.42 1.72 3.58 -1.07 -0.75 116.42 120.91 2kwb h ASP 101 Ca 0.06 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2kwb h ASP 101 Cb 0.45 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kwb h ASP 101 CO 0.02 0.45 -0.20 -0.74 -2.88 0.00 0.00 179.24 175.88 2kwb h HIS 102 N 0.53 -0.52 -0.31 0.28 2.76 -0.47 -3.34 115.15 114.08 2kwb h HIS 102 Ca 0.13 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2kwb h HIS 102 Cb 0.13 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2kwb h HIS 102 CO 0.01 -0.21 -0.02 0.52 -1.30 0.00 0.00 177.93 176.92 2kwb h MET 103 N -1.01 0.57 -0.57 5.26 2.86 -0.93 -3.28 114.93 117.83 2kwb h MET 103 Ca -0.06 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.50 2kwb h MET 103 Cb 0.55 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.07 2kwb h MET 103 CO 0.09 0.72 0.01 1.49 1.06 0.00 0.00 176.91 180.29 2kwb h GLU 104 N 0.35 0.13 0.00 1.72 4.81 -1.29 0.60 114.58 120.89 2kwb h GLU 104 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kwb h GLU 104 Cb 0.48 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2kwb h GLU 104 CO 0.02 0.08 0.00 1.63 -0.73 0.00 0.00 179.01 180.01 2kwb n LYS 105 N -5.25 0.14 -0.03 1.92 5.02 -1.23 0.92 118.16 119.64 2kwb n LYS 105 Ca 0.08 0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 56.96 2kwb n LYS 105 Cb 0.32 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 2kwb n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kwb n ASN 106 N -2.23 3.74 -0.61 4.39 3.02 -0.31 -4.79 115.26 118.46 2kwb n ASN 106 Ca -0.01 -0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.59 2kwb n ASN 106 Cb 0.04 0.36 0.18 0.00 -0.61 0.00 0.00 39.78 39.75 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kwb n ASN 107 N -2.36 1.70 -0.06 6.41 3.02 0.19 -4.87 115.26 119.29 2kwb n ASN 107 Ca -0.09 -3.60 0.19 0.00 -0.03 0.00 0.00 54.58 51.05 2kwb n ASN 107 Cb 0.64 -0.49 0.29 0.00 -0.61 0.00 0.00 39.78 39.61 2kwb n ASN 107 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kwb n ARG 108 N -1.00 0.02 -1.93 3.52 -4.01 0.26 -3.28 116.66 110.25 2kwb n ARG 108 Ca 0.17 0.92 -0.41 0.00 -1.04 0.00 0.00 57.85 57.49 2kwb n ARG 108 Cb 0.73 -2.35 -0.02 0.00 -3.04 0.00 0.00 32.46 27.78 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2kwb s ASP 109 N -3.28 6.54 0.00 2.89 2.15 -1.26 -4.84 116.67 118.87 2kwb s ASP 109 Ca -0.02 2.82 0.08 0.00 0.43 0.00 0.00 52.55 55.86 2kwb s ASP 109 Cb 0.09 -2.64 0.46 0.00 -0.30 0.00 0.00 42.92 40.53 2kwb s ASP 109 CO 0.32 -0.76 0.89 0.29 -0.17 0.00 0.00 175.17 175.73 2kwb n LYS 110 N 1.67 0.45 -0.09 4.34 4.01 -1.26 -1.67 118.16 125.60 2kwb n LYS 110 Ca 0.05 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.62 2kwb n LYS 110 Cb 0.40 -1.27 -0.12 0.00 -0.51 0.00 0.00 35.03 33.53 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kwb n ALA 111 N -0.77 0.92 0.18 7.82 0.00 -1.26 -4.04 120.51 123.36 2kwb n ALA 111 Ca 0.06 -0.66 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 2kwb n ALA 111 Cb 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 2kwb n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kwb h ASP 112 N -0.78 -0.44 -0.16 0.00 3.32 -1.55 -1.09 116.42 115.73 2kwb h ASP 112 Ca -0.45 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 2kwb h ASP 112 Cb 1.52 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.17 2kwb h ASP 112 CO -0.20 0.00 0.06 -0.37 -1.72 0.00 0.00 179.24 177.01 2kwb h VAL 113 N -1.05 1.11 -0.38 -1.35 -1.51 -1.49 -1.27 116.25 110.31 2kwb h VAL 113 Ca -0.05 -0.40 -0.08 0.00 -1.23 0.00 0.00 66.70 64.95 2kwb h VAL 113 Cb 0.50 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2kwb h VAL 113 CO 0.09 0.14 -0.06 -0.78 -1.23 0.00 0.00 177.57 175.73 2kwb h ASP 114 N 0.32 0.71 0.07 4.19 3.58 -1.70 0.79 116.42 124.39 2kwb h ASP 114 Ca 0.08 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.19 2kwb h ASP 114 Cb 0.13 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2kwb h ASP 114 CO -0.00 0.89 -0.08 0.00 -2.88 0.00 0.00 179.24 177.16 2kwb h ALA 115 N 0.85 -0.15 -0.19 -0.78 0.00 -0.57 0.13 119.26 118.55 2kwb h ALA 115 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2kwb h ALA 115 Cb 0.55 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2kwb h ALA 115 CO 0.03 -0.60 -0.05 0.35 0.00 0.00 0.00 179.25 178.98 2kwb h PHE 116 N -0.18 -0.12 -0.59 0.00 3.57 -1.23 0.07 116.94 118.46 2kwb h PHE 116 Ca 0.01 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2kwb h PHE 116 Cb 0.18 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 2kwb h PHE 116 CO -0.12 -0.09 0.10 -0.22 -2.23 0.00 0.00 178.31 175.75 2kwb h LYS 117 N -0.01 0.22 -0.29 1.11 3.64 -0.59 -1.54 116.57 119.11 2kwb h LYS 117 Ca 0.09 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2kwb h LYS 117 Cb 0.15 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2kwb h LYS 117 CO -0.20 0.14 -0.17 0.87 -2.27 0.00 0.00 179.45 177.83 2kwb h LYS 118 N 0.22 0.50 0.44 1.90 1.57 -0.23 0.13 116.57 121.11 2kwb h LYS 118 Ca 0.31 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2kwb h LYS 118 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2kwb h LYS 118 CO -0.42 0.66 -0.21 0.87 -0.57 0.00 0.00 179.45 179.78 2kwb h LYS 119 N 0.46 -0.57 -0.05 3.15 1.79 -0.04 -0.41 116.57 120.89 2kwb h LYS 119 Ca 0.08 0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.46 2kwb h LYS 119 Cb 0.56 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2kwb h LYS 119 CO 0.04 -0.36 -0.57 0.97 -1.08 0.00 0.00 179.45 178.45 2kwb h ILE 120 N -0.63 1.39 -0.10 1.86 6.09 -1.30 -2.54 117.51 122.27 2kwb h ILE 120 Ca -0.06 -1.91 -0.00 0.00 -1.37 0.00 0.00 64.86 61.51 2kwb h ILE 120 Cb 0.47 1.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.74 2kwb h ILE 120 CO 0.10 0.56 0.06 -0.61 -3.07 0.00 0.00 178.15 175.19 2kwb h GLN 121 N 0.12 0.14 -0.68 2.19 -0.00 -0.66 -1.05 115.11 115.18 2kwb h GLN 121 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2kwb h GLN 121 Cb 1.03 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.45 2kwb h GLN 121 CO 0.08 0.17 0.39 0.78 0.00 0.00 0.00 178.83 180.25 2kwb h GLY 122 N 0.08 0.99 0.92 2.39 0.00 -1.02 -1.71 103.07 104.73 2kwb h GLY 122 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2kwb h GLY 122 CO -0.01 0.41 -0.29 -0.25 0.00 0.00 0.00 176.54 176.40 2kwb h TRP 123 N 0.94 -0.75 -0.34 5.60 7.01 -1.11 -2.57 115.95 124.73 2kwb h TRP 123 Ca 0.24 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 2kwb h TRP 123 Cb -0.00 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2kwb h TRP 123 CO 0.00 -0.43 0.14 -0.39 -2.79 0.00 0.00 178.44 174.97 2kwb h VAL 124 N -0.89 1.19 -0.45 2.65 -1.51 -1.13 -0.10 116.25 116.00 2kwb h VAL 124 Ca -0.08 -0.57 0.05 0.00 -1.23 0.00 0.00 66.70 64.87 2kwb h VAL 124 Cb 0.65 0.93 -0.05 0.00 -2.13 0.00 0.00 31.29 30.69 2kwb h VAL 124 CO 0.14 0.20 0.19 0.58 -1.23 0.00 0.00 177.57 177.45 2kwb h VAL 125 N 0.40 0.90 -0.27 7.19 2.07 -1.37 0.75 116.25 125.92 2kwb h VAL 125 Ca 0.11 -0.13 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 2kwb h VAL 125 Cb 0.18 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2kwb h VAL 125 CO -0.01 0.07 -0.49 0.77 0.02 0.00 0.00 177.57 177.93 2kwb h SER 126 N 0.39 0.82 -0.19 0.57 4.64 -1.37 -3.25 113.55 115.16 2kwb h SER 126 Ca 0.21 -0.41 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 2kwb h SER 126 Cb 0.17 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2kwb h SER 126 CO -0.18 1.17 -0.24 0.25 -0.87 0.00 0.00 176.83 176.96 2kwb h LEU 127 N 0.59 0.66 -0.07 5.97 5.85 -0.52 -2.90 115.31 124.88 2kwb h LEU 127 Ca 0.03 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kwb h LEU 127 Cb 1.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2kwb h LEU 127 CO 0.10 0.88 0.00 0.18 -0.34 0.00 0.00 178.44 179.27 2kwb n LEU 128 N -4.11 0.11 -4.57 2.25 4.77 0.21 -4.69 117.00 110.98 2kwb n LEU 128 Ca -0.00 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 2kwb n LEU 128 Cb 0.42 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2kwb n LEU 128 CO 0.43 0.02 1.32 0.00 -1.33 0.00 0.00 177.39 177.84 2kwb s ALA 129 N -1.99 1.37 0.50 -1.18 0.00 -1.10 -4.80 121.76 114.56 2kwb s ALA 129 Ca 0.37 -1.49 0.34 0.00 0.00 0.00 0.00 51.96 51.18 2kwb s ALA 129 Cb 0.17 -4.60 1.86 0.00 0.00 0.00 0.00 23.12 20.55 2kwb s ALA 129 CO 0.29 -5.34 2.21 0.87 0.00 0.00 0.00 175.76 173.78 2kwb h LYS 130 N 11.28 0.00 -0.31 0.00 1.57 -1.91 -1.44 116.57 125.76 2kwb h LYS 130 Ca 0.09 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2kwb h LYS 130 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2kwb h LYS 130 CO 1.15 0.04 0.17 0.22 -0.57 0.00 0.00 179.45 180.45 2kwb h ASP 131 N 0.00 0.25 0.00 0.86 3.58 -1.98 -1.68 116.42 117.46 2kwb h ASP 131 Ca -0.00 0.01 -0.34 0.00 0.42 0.00 0.00 57.03 57.12 2kwb h ASP 131 Cb 0.17 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 2kwb h ASP 131 CO 0.00 0.19 -2.28 0.54 -2.88 0.00 0.00 179.24 174.81 2kwb n ARG 132 N -4.94 0.65 0.00 0.28 1.74 -1.20 -4.51 116.66 108.69 2kwb n ARG 132 Ca -0.00 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 2kwb n ARG 132 Cb 0.07 -1.46 0.33 0.00 -1.02 0.00 0.00 32.46 30.38 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kwb n PHE 133 N -3.08 0.00 0.15 -1.55 3.01 -0.55 -1.36 117.46 114.08 2kwb n PHE 133 Ca -0.38 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.09 2kwb n PHE 133 Cb 0.95 -0.27 0.08 0.00 -0.01 0.00 0.00 39.48 40.24 2kwb n PHE 133 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2kwb n LYS 134 N -1.27 0.03 -0.10 -1.08 2.85 -0.63 -1.27 118.16 116.69 2kwb n LYS 134 Ca 0.06 0.31 0.04 0.00 -1.05 0.00 0.00 58.31 57.68 2kwb n LYS 134 Cb 0.10 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.12 2kwb n LYS 134 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kwb n ASN 135 N -1.35 1.11 -4.92 -5.58 4.05 -0.46 -4.90 115.26 103.20 2kwb n ASN 135 Ca 0.01 -1.95 -0.26 0.00 0.45 0.00 0.00 54.58 52.84 2kwb n ASN 135 Cb 0.03 -0.13 0.01 0.00 1.23 0.00 0.00 39.78 40.92 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kwb s LEU 136 N -1.07 3.50 -0.01 1.20 1.43 -0.39 -4.68 118.68 118.65 2kwb s LEU 136 Ca 0.16 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2kwb s LEU 136 Cb 0.08 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2kwb s LEU 136 CO 0.11 -0.78 -0.04 0.00 0.23 0.00 0.00 176.35 175.87 2kwb s ALA 137 N -2.77 0.38 -0.27 4.21 0.00 -1.07 -5.01 121.76 117.21 2kwb s ALA 137 Ca 0.50 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2kwb s ALA 137 Cb -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2kwb s ALA 137 CO 0.43 0.06 0.18 -0.06 0.00 0.00 0.00 175.76 176.37 2kwb s PHE 138 N 0.14 3.24 -0.02 0.00 0.08 -0.98 -0.99 117.98 119.45 2kwb s PHE 138 Ca -0.01 0.13 0.07 0.00 0.12 0.00 0.00 56.93 57.24 2kwb s PHE 138 Cb -0.05 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2kwb s PHE 138 CO -0.00 -0.12 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.71 2kwb s PHE 139 N 1.63 2.05 0.02 0.36 0.40 -0.66 0.42 117.98 122.20 2kwb s PHE 139 Ca 0.07 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2kwb s PHE 139 Cb -0.16 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2kwb s PHE 139 CO 0.10 -0.04 -0.05 -1.50 0.70 0.00 0.00 175.22 174.43 2kwb s ILE 140 N -0.53 0.33 -0.00 0.64 -1.16 -0.78 -0.33 121.20 119.37 2kwb s ILE 140 Ca 0.09 -0.81 -0.36 0.00 -0.51 0.00 0.00 60.65 59.06 2kwb s ILE 140 Cb -0.09 -0.40 -0.15 0.00 0.61 0.00 0.00 42.46 42.43 2kwb s ILE 140 CO -0.01 -0.32 1.58 0.61 -2.81 0.00 0.00 174.94 174.00 2kwb n GLY 141 N 1.86 0.89 0.48 1.50 0.00 -1.26 -0.40 105.19 108.26 2kwb n GLY 141 Ca -0.21 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 2kwb n GLY 141 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kwb h GLU 142 N 6.27 -0.74 -0.22 1.61 4.81 -1.42 0.81 114.58 125.71 2kwb h GLU 142 Ca -0.47 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2kwb h GLU 142 Cb 1.30 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 2kwb h GLU 142 CO 0.87 -0.49 0.10 -0.09 -0.73 0.00 0.00 179.01 178.67 2kwb h ARG 143 N -0.77 0.30 0.24 1.92 2.43 -1.91 -2.26 114.38 114.33 2kwb h ARG 143 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2kwb h ARG 143 Cb 0.77 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2kwb h ARG 143 CO -0.27 0.24 -0.11 0.00 -1.51 0.00 0.00 179.97 178.32 2kwb h ALA 144 N 1.81 -0.32 0.00 2.80 0.00 -1.62 -2.70 119.26 119.23 2kwb h ALA 144 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kwb h ALA 144 Cb 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kwb h ALA 144 CO -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 2kwb h ALA 145 N 0.12 1.02 0.00 0.00 0.00 -0.76 0.79 119.26 120.42 2kwb h ALA 145 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kwb h ALA 145 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kwb h ALA 145 CO 0.05 0.01 -0.29 1.49 0.00 0.00 0.00 179.25 180.51 2kwb h GLU 146 N 0.00 0.00 0.00 0.00 4.81 -1.08 -3.36 114.58 114.95 2kwb h GLU 146 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2kwb h GLU 146 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2kwb h GLU 146 CO 0.00 0.29 -0.53 0.41 -0.73 0.00 0.00 179.01 178.45 2kwb n GLY 147 N -0.10 -0.19 3.49 1.92 0.00 -0.58 -4.91 105.19 104.82 2kwb n GLY 147 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 148 N -2.27 3.09 -1.75 4.61 0.00 0.27 -4.86 121.76 120.84 2kwb s ALA 148 Ca -0.10 -2.39 0.15 0.00 0.00 0.00 0.00 51.96 49.62 2kwb s ALA 148 Cb 0.02 -4.18 0.84 0.00 0.00 0.00 0.00 23.12 19.80 2kwb s ALA 148 CO 0.14 -3.16 1.36 0.39 0.00 0.00 0.00 175.76 174.49 2kwb n GLU 149 N 7.60 0.37 -0.66 0.00 1.02 -1.26 -1.57 120.64 126.13 2kwb n GLU 149 Ca 0.21 0.06 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 2kwb n GLU 149 Cb 0.49 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.56 2kwb n GLU 149 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kwb n ASN 150 N -1.12 1.60 -4.63 1.62 0.23 -1.26 -5.06 115.26 106.64 2kwb n ASN 150 Ca 0.10 -3.30 -0.34 0.00 -0.53 0.00 0.00 54.58 50.50 2kwb n ASN 150 Cb 0.08 -0.45 0.11 0.00 -2.08 0.00 0.00 39.78 37.44 2kwb n ASN 150 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kwb n GLY 151 N -0.82 -0.40 3.71 4.83 0.00 -0.61 -4.92 105.19 106.98 2kwb n GLY 151 Ca 0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2kwb n GLY 151 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kwb s GLN 152 N -3.75 4.29 0.10 1.61 0.74 -1.26 -5.01 119.66 116.39 2kwb s GLN 152 Ca 0.71 2.12 -0.13 0.00 0.05 0.00 0.00 55.36 58.11 2kwb s GLN 152 Cb -0.30 -3.31 -0.06 0.00 1.10 0.00 0.00 33.01 30.43 2kwb s GLN 152 CO 0.52 -0.50 0.49 0.08 -0.55 0.00 0.00 175.29 175.33 2kwb s VAL 153 N 1.41 4.94 -0.13 1.34 1.01 -1.26 -4.72 120.40 122.99 2kwb s VAL 153 Ca 0.66 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 2kwb s VAL 153 Cb -0.37 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2kwb s VAL 153 CO 0.30 0.32 0.08 0.00 0.00 0.00 0.00 175.10 175.80 2kwb s ALA 154 N -1.38 3.58 -0.19 5.51 0.00 0.55 -4.96 121.76 124.88 2kwb s ALA 154 Ca 0.34 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2kwb s ALA 154 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2kwb s ALA 154 CO 0.18 0.48 0.35 0.42 0.00 0.00 0.00 175.76 177.20 2kwb s ILE 155 N -0.59 5.24 -0.41 0.00 1.01 -1.08 -1.65 121.20 123.73 2kwb s ILE 155 Ca 0.11 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 2kwb s ILE 155 Cb -0.12 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2kwb s ILE 155 CO 0.02 0.30 0.47 -0.63 0.00 0.00 0.00 174.94 175.09 2kwb s ILE 156 N 1.06 5.05 0.11 2.92 -1.09 -0.16 -0.01 121.20 129.08 2kwb s ILE 156 Ca 0.17 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 2kwb s ILE 156 Cb -0.14 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.65 2kwb s ILE 156 CO 0.07 -0.40 0.34 -0.70 -1.23 0.00 0.00 174.94 173.02 2kwb s GLU 157 N 2.24 3.60 -0.25 2.79 2.12 0.30 -2.61 118.70 126.90 2kwb s GLU 157 Ca 0.14 -0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 2kwb s GLU 157 Cb -0.16 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2kwb s GLU 157 CO 0.14 0.52 0.25 1.52 -0.54 0.00 0.00 175.26 177.15 2kwb s TYR 158 N -1.57 3.30 -0.22 5.30 1.13 -1.26 -1.23 117.35 122.80 2kwb s TYR 158 Ca 0.38 0.31 0.02 0.00 -1.41 0.00 0.00 57.07 56.36 2kwb s TYR 158 Cb -0.13 -2.39 0.04 0.00 -1.10 0.00 0.00 41.96 38.39 2kwb s TYR 158 CO 0.23 -0.04 -0.14 1.03 -2.51 0.00 0.00 175.55 174.12 2kwb s ARG 159 N 1.41 2.43 -0.48 -3.49 1.81 -0.59 -4.96 118.95 115.08 2kwb s ARG 159 Ca 0.11 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 52.80 2kwb s ARG 159 Cb -0.15 -2.66 -0.01 0.00 -0.45 0.00 0.00 34.95 31.69 2kwb s ARG 159 CO 0.07 -0.41 1.65 -0.51 -0.68 0.00 0.00 175.30 175.42 2kwb s ASP 160 N 1.24 5.87 -0.37 0.23 1.01 -1.26 -0.66 116.67 122.73 2kwb s ASP 160 Ca -0.02 0.70 -0.08 0.00 0.71 0.00 0.00 52.55 53.86 2kwb s ASP 160 Cb -0.17 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.28 2kwb s ASP 160 CO -0.08 -1.84 0.17 -0.69 0.21 0.00 0.00 175.17 172.94 2kwb s VAL 161 N 7.00 3.98 -1.63 -1.27 1.01 0.27 -4.59 120.40 125.18 2kwb s VAL 161 Ca 0.66 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2kwb s VAL 161 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2kwb s VAL 161 CO 0.28 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.52 2kwb n ASP 162 N 4.85 -5.18 0.00 3.32 8.00 -1.26 -1.39 116.55 124.89 2kwb n ASP 162 Ca -0.11 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2kwb n ASP 162 Cb 0.44 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kwb n GLY 163 N -0.09 2.28 3.58 0.44 0.00 -1.26 -5.09 105.19 105.04 2kwb n GLY 163 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.12 4.46 0.03 2.61 2.01 -0.48 -5.03 115.64 117.13 2kwb s THR 164 Ca 0.00 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2kwb s THR 164 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2kwb s THR 164 CO 0.00 0.47 1.25 -1.83 -0.69 0.00 0.00 174.62 173.82 2kwb s GLU 165 N 0.43 4.38 0.08 4.92 4.04 -1.26 -0.56 118.70 130.73 2kwb s GLU 165 Ca 0.01 1.82 0.06 0.00 0.04 0.00 0.00 54.97 56.90 2kwb s GLU 165 Cb -0.13 -3.41 -0.04 0.00 0.02 0.00 0.00 34.13 30.57 2kwb s GLU 165 CO 0.01 -0.37 -0.10 0.14 -1.84 0.00 0.00 175.26 173.11 2kwb s VAL 166 N 1.51 3.38 -0.23 1.83 -7.23 0.17 -4.92 120.40 114.91 2kwb s VAL 166 Ca 0.60 -1.18 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 2kwb s VAL 166 Cb -0.30 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2kwb s VAL 166 CO 0.27 0.17 0.73 -2.16 -0.31 0.00 0.00 175.10 173.81 2kwb s PRO 167 N -2.03 4.17 -0.20 4.82 0.04 -1.26 -1.55 135.00 139.00 2kwb s PRO 167 Ca 0.20 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 2kwb s PRO 167 Cb -0.11 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 30.82 2kwb s PRO 167 CO 0.12 -0.42 -0.14 0.95 0.04 0.00 0.00 177.00 177.55 2kwb s THR 168 N 2.51 2.47 0.04 1.26 -4.23 -0.36 -2.49 115.64 114.85 2kwb s THR 168 Ca 0.31 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.65 2kwb s THR 168 Cb -0.16 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 2kwb s THR 168 CO 0.09 0.45 1.10 -0.22 -0.54 0.00 0.00 174.62 175.49 2kwb s LEU 169 N 1.33 4.38 -0.16 4.79 2.96 0.52 -0.54 118.68 131.96 2kwb s LEU 169 Ca 0.04 1.87 -0.00 0.00 -0.22 0.00 0.00 54.13 55.82 2kwb s LEU 169 Cb -0.14 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2kwb s LEU 169 CO -0.09 -0.36 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.11 2kwb s MET 170 N 0.94 3.22 -0.05 1.98 -2.45 0.99 -1.79 119.30 122.12 2kwb s MET 170 Ca 0.55 -0.74 -0.00 0.00 -1.25 0.00 0.00 55.69 54.25 2kwb s MET 170 Cb -0.26 -2.66 0.03 0.00 1.25 0.00 0.00 34.83 33.18 2kwb s MET 170 CO 0.29 -0.03 -0.01 -0.51 1.05 0.00 0.00 175.02 175.81 2kwb s LEU 171 N 0.93 0.90 -0.14 4.11 1.43 -1.07 -2.62 118.68 122.21 2kwb s LEU 171 Ca -0.03 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2kwb s LEU 171 Cb -0.15 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2kwb s LEU 171 CO -0.02 -0.14 1.47 -0.69 0.23 0.00 0.00 176.35 177.21 2kwb s VAL 172 N 1.49 3.91 0.27 -1.59 1.01 -1.26 -0.11 120.40 124.11 2kwb s VAL 172 Ca -0.03 1.08 0.37 0.00 0.00 0.00 0.00 61.98 63.40 2kwb s VAL 172 Cb -0.13 -3.76 0.41 0.00 0.00 0.00 0.00 36.38 32.90 2kwb s VAL 172 CO -0.03 -0.16 2.10 0.07 0.00 0.00 0.00 175.10 177.08 2kwb h LYS 173 N 9.24 0.00 -0.00 2.72 2.10 -1.56 -0.43 116.57 128.64 2kwb h LYS 173 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2kwb h LYS 173 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2kwb h LYS 173 CO 0.97 0.00 -0.08 0.39 -2.00 0.00 0.00 179.45 178.74 2kwb n GLU 174 N -3.07 0.12 -0.11 0.07 -0.58 -1.26 -3.80 120.64 112.01 2kwb n GLU 174 Ca -0.01 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.49 2kwb n GLU 174 Cb 0.23 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.48 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kwb n ALA 175 N -1.43 1.20 -2.72 0.62 0.00 -0.22 -4.83 120.51 113.14 2kwb n ALA 175 Ca 0.08 -0.96 -0.35 0.00 0.00 0.00 0.00 53.44 52.21 2kwb n ALA 175 Cb 0.32 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 2kwb n ALA 175 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kwb s ILE 176 N -2.51 5.35 -0.30 0.00 -4.36 -0.92 -3.23 121.20 115.23 2kwb s ILE 176 Ca -0.34 0.17 -0.18 0.00 -0.26 0.00 0.00 60.65 60.05 2kwb s ILE 176 Cb 0.10 -3.45 -0.02 0.00 1.25 0.00 0.00 42.46 40.34 2kwb s ILE 176 CO 0.59 0.42 0.49 -0.63 0.24 0.00 0.00 174.94 176.05 2kwb s ILE 177 N 0.52 5.06 0.07 8.37 1.09 -0.10 -4.69 121.20 131.51 2kwb s ILE 177 Ca 0.08 0.62 -0.22 0.00 -1.10 0.00 0.00 60.65 60.03 2kwb s ILE 177 Cb -0.12 -3.86 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 2kwb s ILE 177 CO -0.00 -0.02 0.65 -1.83 -0.10 0.00 0.00 174.94 173.63 2kwb s GLU 178 N 2.31 4.35 -0.29 2.79 4.04 -1.26 -0.89 118.70 129.76 2kwb s GLU 178 Ca 0.19 0.87 -0.02 0.00 0.04 0.00 0.00 54.97 56.06 2kwb s GLU 178 Cb -0.16 -3.29 0.12 0.00 0.02 0.00 0.00 34.13 30.83 2kwb s GLU 178 CO 0.11 0.50 0.24 -1.21 -1.84 0.00 0.00 175.26 173.06 2kwb s GLU 179 N -0.71 0.28 -0.15 -4.83 2.02 0.10 -5.00 118.70 110.42 2kwb s GLU 179 Ca 0.32 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.85 2kwb s GLU 179 Cb -0.20 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.16 2kwb s GLU 179 CO 0.21 -1.03 0.45 -1.59 0.02 0.00 0.00 175.26 173.31 2kwb s LYS 180 N 2.26 4.28 -0.70 1.61 0.00 -1.26 -1.46 119.74 124.47 2kwb s LYS 180 Ca 0.09 0.36 -0.02 0.00 0.00 0.00 0.00 55.97 56.41 2kwb s LYS 180 Cb -0.15 -3.47 0.18 0.00 0.00 0.00 0.00 37.83 34.39 2kwb s LYS 180 CO -0.34 0.08 0.52 0.00 0.00 0.00 0.00 175.35 175.62 2kwb n LEU 182 N 3.05 0.00 0.00 0.00 -0.00 -1.26 -1.02 117.00 117.77 2kwb n LEU 182 Ca 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.21 2kwb n LEU 182 Cb 0.37 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.25 2kwb n LEU 182 CO 0.34 0.00 0.67 -1.84 -0.00 0.00 0.00 177.39 176.56