#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 4.14 -0.18 4.03 2.96 -0.85 -4.19 118.68 124.59 2kwb s LEU 2 Ca 0.00 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2kwb s LEU 2 Cb 0.00 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 2kwb s LEU 2 CO 0.00 0.20 -0.10 0.27 -1.32 0.00 0.00 176.35 175.40 2kwb s ILE 3 N 0.23 3.01 0.03 6.68 -4.36 -0.66 -0.78 121.20 125.35 2kwb s ILE 3 Ca 0.08 -0.63 0.08 0.00 -0.26 0.00 0.00 60.65 59.91 2kwb s ILE 3 Cb -0.11 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 2kwb s ILE 3 CO -0.01 0.48 -0.23 -0.72 0.24 0.00 0.00 174.94 174.70 2kwb s TYR 4 N 1.10 2.01 0.07 1.37 1.13 -0.65 -0.63 117.35 121.75 2kwb s TYR 4 Ca 0.01 -0.39 0.05 0.00 -1.41 0.00 0.00 57.07 55.33 2kwb s TYR 4 Cb -0.15 -1.23 -0.03 0.00 -1.10 0.00 0.00 41.96 39.46 2kwb s TYR 4 CO -0.02 0.06 -0.15 -1.59 -2.51 0.00 0.00 175.55 171.34 2kwb s LYS 5 N -1.00 0.85 0.54 -3.49 -2.85 -0.75 -2.49 119.74 110.54 2kwb s LYS 5 Ca 0.09 -0.98 0.06 0.00 -1.00 0.00 0.00 55.97 54.14 2kwb s LYS 5 Cb -0.09 -0.89 0.10 0.00 -2.06 0.00 0.00 37.83 34.89 2kwb s LYS 5 CO 0.01 0.20 0.74 -0.40 0.10 0.00 0.00 175.35 176.00 2kwb n ASP 6 N 1.26 1.63 -0.16 0.03 5.75 -1.26 0.20 116.55 124.00 2kwb n ASP 6 Ca -0.21 -2.22 -0.09 0.00 -0.01 0.00 0.00 54.79 52.25 2kwb n ASP 6 Cb 0.54 -0.42 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2kwb n ASP 6 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2kwb h ILE 7 N -0.11 1.23 0.00 2.12 2.04 -1.93 -3.35 117.51 117.52 2kwb h ILE 7 Ca -0.25 -0.80 -0.20 0.00 1.00 0.00 0.00 64.86 64.62 2kwb h ILE 7 Cb 1.07 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2kwb h ILE 7 CO 0.33 0.28 -1.55 2.22 0.00 0.00 0.00 178.15 179.43 2kwb n PHE 8 N -4.52 0.00 0.21 1.37 -1.74 -1.26 -4.64 117.46 106.88 2kwb n PHE 8 Ca 0.00 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.93 2kwb n PHE 8 Cb 0.21 -0.50 0.19 0.00 1.52 0.00 0.00 39.48 40.90 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 -3.81 1.20 0.31 1.97 -2.24 -1.26 -4.62 114.28 105.83 2kwb n THR 9 Ca -0.25 -0.64 0.13 0.00 -2.27 0.00 0.00 64.05 61.02 2kwb n THR 9 Cb 0.61 -0.30 0.67 0.00 -2.10 0.00 0.00 70.33 69.21 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2kwb h ASP 10 N 1.93 0.00 0.68 3.42 2.03 -1.83 0.18 116.42 122.83 2kwb h ASP 10 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kwb h ASP 10 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2kwb h ASP 10 CO 0.20 0.00 0.00 -2.24 -1.03 0.00 0.00 179.24 176.17 2kwb h ASP 11 N 0.00 0.00 -0.56 4.15 2.03 -1.92 -1.00 116.42 119.12 2kwb h ASP 11 Ca 0.02 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.14 2kwb h ASP 11 Cb 0.96 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.35 2kwb h ASP 11 CO -0.00 0.00 0.23 -0.62 -1.03 0.00 0.00 179.24 177.82 2kwb n GLU 12 N -3.05 2.87 -1.31 4.15 1.02 0.62 -5.01 120.64 119.93 2kwb n GLU 12 Ca -0.01 -2.22 -0.46 0.00 -0.02 0.00 0.00 57.16 54.46 2kwb n GLU 12 Cb 0.23 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2kwb n LEU 13 N -0.11 -1.00 -4.42 -4.62 0.00 -0.38 -4.98 117.00 101.49 2kwb n LEU 13 Ca 0.31 1.05 -0.29 0.00 0.00 0.00 0.00 56.01 57.08 2kwb n LEU 13 Cb 1.14 -0.88 -0.13 0.00 0.00 0.00 0.00 43.42 43.56 2kwb n LEU 13 CO 0.34 -2.63 -0.54 -0.44 0.00 0.00 0.00 177.39 174.11 2kwb s SER 14 N -0.80 3.51 -0.15 1.96 0.01 -1.04 -4.98 113.70 112.21 2kwb s SER 14 Ca 0.63 -0.67 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 2kwb s SER 14 Cb -0.90 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 2kwb s SER 14 CO 0.52 0.19 -0.05 -0.94 0.41 0.00 0.00 173.24 173.36 2kwb s SER 15 N -2.03 4.69 0.35 2.44 1.04 -1.26 -1.64 113.70 117.28 2kwb s SER 15 Ca 0.15 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.49 2kwb s SER 15 Cb -0.10 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.23 2kwb s SER 15 CO 0.07 0.17 0.24 -0.62 0.98 0.00 0.00 173.24 174.08 2kwb s ASP 16 N 0.36 1.97 0.00 7.02 -1.08 0.04 -4.93 116.67 120.05 2kwb s ASP 16 Ca -0.05 -1.74 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 2kwb s ASP 16 Cb -0.14 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 41.87 2kwb s ASP 16 CO 0.03 -1.03 0.43 -0.24 0.52 0.00 0.00 175.17 174.88 2kwb n SER 17 N -1.49 0.54 -4.79 -0.34 2.88 -1.26 -2.00 113.62 107.16 2kwb n SER 17 Ca 0.04 -1.18 -0.36 0.00 -1.33 0.00 0.00 58.87 56.04 2kwb n SER 17 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2kwb s PHE 18 N -0.18 3.46 -0.13 0.66 0.08 -1.26 -5.04 117.98 115.58 2kwb s PHE 18 Ca 0.00 1.70 -0.24 0.00 0.12 0.00 0.00 56.93 58.51 2kwb s PHE 18 Cb 0.00 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 2kwb s PHE 18 CO 0.00 -0.16 0.75 -1.25 -0.10 0.00 0.00 175.22 174.46 2kwb s PRO 19 N -2.44 4.35 -0.18 0.24 0.04 -1.26 -5.05 135.00 130.69 2kwb s PRO 19 Ca 0.55 0.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 2kwb s PRO 19 Cb -0.18 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2kwb s PRO 19 CO 0.23 -0.14 0.60 -1.64 0.04 0.00 0.00 177.00 176.08 2kwb s MET 20 N 1.52 4.23 -0.36 4.56 -1.94 -1.26 -4.70 119.30 121.35 2kwb s MET 20 Ca 0.37 0.58 -0.11 0.00 -1.71 0.00 0.00 55.69 54.81 2kwb s MET 20 Cb -0.17 -3.55 0.01 0.00 2.01 0.00 0.00 34.83 33.13 2kwb s MET 20 CO 0.15 -0.16 0.20 0.15 -0.01 0.00 0.00 175.02 175.35 2kwb s LYS 21 N 1.66 3.05 -0.54 2.03 1.02 -0.76 -4.92 119.74 121.29 2kwb s LYS 21 Ca 0.28 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 55.09 2kwb s LYS 21 Cb -0.16 -3.72 0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2kwb s LYS 21 CO 0.11 -0.60 1.00 -1.17 -0.92 0.00 0.00 175.35 173.77 2kwb s LEU 22 N 1.60 3.93 -0.09 3.17 2.96 -1.26 0.13 118.68 129.12 2kwb s LEU 22 Ca 0.03 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 2kwb s LEU 22 Cb -0.18 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 2kwb s LEU 22 CO 0.07 -1.26 0.22 0.54 -1.32 0.00 0.00 176.35 174.60 2kwb s VAL 23 N 4.16 5.37 -1.14 1.68 0.11 0.57 -4.32 120.40 126.83 2kwb s VAL 23 Ca 0.35 0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 2kwb s VAL 23 Cb -0.11 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2kwb s VAL 23 CO 0.22 0.59 0.00 0.47 -3.33 0.00 0.00 175.10 173.06 2kwb n ASP 24 N 2.05 -5.26 -0.24 3.54 9.92 -1.26 -2.05 116.55 123.25 2kwb n ASP 24 Ca -0.18 0.26 -0.03 0.00 -0.53 0.00 0.00 54.79 54.31 2kwb n ASP 24 Cb 0.54 -3.95 -0.01 0.00 -0.64 0.00 0.00 41.12 37.06 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kwb n ASP 25 N -0.96 -5.93 -0.03 -2.24 8.00 -1.26 -4.75 116.55 109.39 2kwb n ASP 25 Ca -0.11 0.08 -0.05 0.00 0.71 0.00 0.00 54.79 55.42 2kwb n ASP 25 Cb 0.55 -3.70 -0.02 0.00 -0.02 0.00 0.00 41.12 37.93 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 -0.35 1.56 -4.14 0.64 7.94 -0.87 -4.93 117.00 116.85 2kwb n LEU 26 Ca -0.03 0.03 -0.21 0.00 -1.11 0.00 0.00 56.01 54.68 2kwb n LEU 26 Cb 0.53 -0.18 -0.14 0.00 0.53 0.00 0.00 43.42 44.16 2kwb n LEU 26 CO 0.05 0.33 -0.47 0.68 -1.11 0.00 0.00 177.39 176.87 2kwb s VAL 27 N -2.11 1.16 0.06 1.96 -7.23 -1.05 -0.59 120.40 112.60 2kwb s VAL 27 Ca -0.08 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 2kwb s VAL 27 Cb 0.03 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 2kwb s VAL 27 CO 0.11 0.13 0.47 -0.31 -0.31 0.00 0.00 175.10 175.19 2kwb s TYR 28 N -0.67 3.69 0.05 2.82 2.02 0.72 -0.32 117.35 125.67 2kwb s TYR 28 Ca 0.03 1.03 0.06 0.00 -0.37 0.00 0.00 57.07 57.82 2kwb s TYR 28 Cb -0.07 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 2kwb s TYR 28 CO 0.01 0.56 -0.16 -1.83 -1.57 0.00 0.00 175.55 172.56 2kwb s GLU 29 N -1.43 0.99 -0.09 -0.62 -1.05 0.12 -1.10 118.70 115.53 2kwb s GLU 29 Ca 0.30 -0.87 -0.18 0.00 -0.15 0.00 0.00 54.97 54.07 2kwb s GLU 29 Cb -0.16 -1.05 0.04 0.00 -0.44 0.00 0.00 34.13 32.52 2kwb s GLU 29 CO 0.17 0.25 0.43 -0.59 0.95 0.00 0.00 175.26 176.47 2kwb s PHE 30 N -0.97 -0.39 -0.14 4.83 -0.71 -0.78 -1.82 117.98 118.00 2kwb s PHE 30 Ca 0.02 0.81 -0.15 0.00 -1.04 0.00 0.00 56.93 56.57 2kwb s PHE 30 Cb -0.09 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 2kwb s PHE 30 CO 0.02 -0.36 0.35 0.21 -1.34 0.00 0.00 175.22 174.10 2kwb s LYS 31 N -0.63 4.26 0.00 1.99 2.20 -1.26 -0.15 119.74 126.15 2kwb s LYS 31 Ca -0.07 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2kwb s LYS 31 Cb -0.03 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2kwb s LYS 31 CO 0.04 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 2kwb n GLY 32 N 3.29 1.03 2.74 5.54 0.00 -1.26 -5.03 105.19 111.49 2kwb n GLY 32 Ca -0.11 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 2kwb n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kwb s LYS 33 N 3.49 0.17 -0.38 1.61 2.20 -1.26 -4.95 119.74 120.62 2kwb s LYS 33 Ca 0.00 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.55 2kwb s LYS 33 Cb 0.00 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.72 2kwb s LYS 33 CO 0.00 -0.25 1.94 -1.58 -0.36 0.00 0.00 175.35 175.10 2kwb s HIS 34 N 1.69 1.60 0.18 4.03 5.65 -1.26 -1.01 115.29 126.18 2kwb s HIS 34 Ca -0.01 0.74 -0.01 0.00 0.25 0.00 0.00 55.06 56.04 2kwb s HIS 34 Cb -0.13 -4.03 -0.04 0.00 -1.18 0.00 0.00 32.58 27.20 2kwb s HIS 34 CO -0.03 -2.97 0.09 0.14 -0.65 0.00 0.00 174.74 171.33 2kwb s VAL 35 N 8.09 0.15 0.02 0.89 -7.23 -0.19 -4.97 120.40 117.17 2kwb s VAL 35 Ca 0.83 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2kwb s VAL 35 Cb -0.22 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2kwb s VAL 35 CO 0.31 -0.18 -0.10 0.68 -0.31 0.00 0.00 175.10 175.50 2kwb s VAL 36 N -4.04 0.80 -0.20 1.32 -7.23 -1.26 -0.83 120.40 108.95 2kwb s VAL 36 Ca 0.33 -0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 2kwb s VAL 36 Cb 0.07 -0.74 0.07 0.00 0.56 0.00 0.00 36.38 36.34 2kwb s VAL 36 CO 0.08 -0.03 0.07 -0.60 -0.31 0.00 0.00 175.10 174.32 2kwb s ARG 37 N -0.91 0.37 0.03 4.82 6.06 0.83 -4.67 118.95 125.48 2kwb s ARG 37 Ca -0.01 -0.35 0.02 0.00 -2.50 0.00 0.00 55.73 52.89 2kwb s ARG 37 Cb -0.07 -1.88 -0.02 0.00 0.06 0.00 0.00 34.95 33.04 2kwb s ARG 37 CO 0.01 -0.72 -0.07 0.21 -2.50 0.00 0.00 175.30 172.22 2kwb s LYS 38 N 1.98 0.50 0.17 5.12 2.47 -0.72 -1.78 119.74 127.47 2kwb s LYS 38 Ca 0.02 -0.60 -0.18 0.00 -1.56 0.00 0.00 55.97 53.65 2kwb s LYS 38 Cb -0.17 -0.33 0.10 0.00 -1.46 0.00 0.00 37.83 35.98 2kwb s LYS 38 CO -0.13 0.07 1.64 1.49 0.16 0.00 0.00 175.35 178.58 2kwb h GLU 39 N 4.93 -0.10 -0.94 4.03 4.81 -2.00 -1.54 114.58 123.78 2kwb h GLU 39 Ca -0.34 0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.34 2kwb h GLU 39 Cb 1.20 0.02 -0.29 0.00 0.63 0.00 0.00 28.75 30.31 2kwb h GLU 39 CO 0.43 -0.07 0.63 0.41 -0.73 0.00 0.00 179.01 179.69 2kwb n GLY 40 N -1.37 5.18 3.15 1.92 0.00 -1.26 -4.82 105.19 107.99 2kwb n GLY 40 Ca 0.02 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.42 2kwb n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwb s GLU 41 N -3.53 0.50 0.08 1.61 2.56 -0.58 -5.17 118.70 114.18 2kwb s GLU 41 Ca 0.59 0.57 -0.12 0.00 0.00 0.00 0.00 54.97 56.01 2kwb s GLU 41 Cb 0.48 0.27 0.01 0.00 2.00 0.00 0.00 34.13 36.90 2kwb s GLU 41 CO 0.05 -0.86 0.27 -1.50 -0.56 0.00 0.00 175.26 172.66 2kwb s ILE 42 N 2.85 0.11 -0.19 -3.70 1.10 -1.26 -1.76 121.20 118.34 2kwb s ILE 42 Ca 0.14 -0.88 -0.03 0.00 -0.51 0.00 0.00 60.65 59.36 2kwb s ILE 42 Cb -0.10 -1.16 0.00 0.00 0.15 0.00 0.00 42.46 41.35 2kwb s ILE 42 CO -0.24 -0.49 0.13 0.52 -2.11 0.00 0.00 174.94 172.74 2kwb n VAL 43 N 0.12 -7.31 -2.07 4.00 0.31 -1.26 -5.07 118.33 107.04 2kwb n VAL 43 Ca -0.16 0.82 -0.29 0.00 -0.01 0.00 0.00 64.34 64.69 2kwb n VAL 43 Cb 0.62 -5.69 0.19 0.00 -0.91 0.00 0.00 33.84 28.05 2kwb n VAL 43 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kwb s LEU 44 N -1.27 2.79 0.06 7.52 0.05 -1.26 -5.11 118.68 121.46 2kwb s LEU 44 Ca 0.05 0.04 0.06 0.00 0.05 0.00 0.00 54.13 54.33 2kwb s LEU 44 Cb -0.01 -2.04 -0.03 0.00 -2.05 0.00 0.00 46.19 42.06 2kwb s LEU 44 CO 0.43 -2.72 -0.16 0.00 -0.55 0.00 0.00 176.35 173.35 2kwb s ALA 45 N -3.80 1.32 -2.27 1.48 0.00 -1.26 -5.03 121.76 112.20 2kwb s ALA 45 Ca 0.75 -0.97 0.22 0.00 0.00 0.00 0.00 51.96 51.96 2kwb s ALA 45 Cb -0.03 -0.17 0.88 0.00 0.00 0.00 0.00 23.12 23.79 2kwb s ALA 45 CO 0.52 0.24 1.62 0.41 0.00 0.00 0.00 175.76 178.55 2kwb n GLY 46 N 1.55 0.04 3.49 0.00 0.00 -1.26 -4.84 105.19 104.17 2kwb n GLY 46 Ca -0.19 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2kwb n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kwb s SER 47 N -1.65 4.54 -0.40 1.61 0.15 -1.26 -5.07 113.70 111.61 2kwb s SER 47 Ca 0.33 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.87 2kwb s SER 47 Cb 0.17 -1.55 0.16 0.00 -1.71 0.00 0.00 66.02 63.10 2kwb s SER 47 CO 0.27 0.23 0.45 0.21 1.20 0.00 0.00 173.24 175.59 2kwb s ASN 48 N 0.01 0.55 -0.01 5.45 2.47 -1.26 -5.07 114.94 117.08 2kwb s ASN 48 Ca -0.01 -1.70 -0.03 0.00 0.42 0.00 0.00 52.86 51.53 2kwb s ASN 48 Cb -0.14 0.77 -0.02 0.00 -1.45 0.00 0.00 41.25 40.41 2kwb s ASN 48 CO 0.03 -0.21 0.38 -0.65 -3.72 0.00 0.00 177.10 172.93 2kwb h PRO 49 N 6.61 -0.11 -6.31 0.43 0.11 -2.03 -3.44 132.00 127.27 2kwb h PRO 49 Ca 0.08 0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.63 2kwb h PRO 49 Cb 1.06 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2kwb h PRO 49 CO 0.18 -0.07 1.23 0.45 -0.21 0.00 0.00 178.00 179.58 2kwb s SER 50 N -3.28 5.94 -0.46 -2.05 0.15 -1.26 -4.96 113.70 107.78 2kwb s SER 50 Ca -0.02 1.06 -0.15 0.00 0.70 0.00 0.00 55.95 57.54 2kwb s SER 50 Cb 0.00 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.85 2kwb s SER 50 CO 0.05 -1.71 0.38 0.00 1.20 0.00 0.00 173.24 173.16 2kwb s ALA 51 N 6.74 3.54 0.01 5.45 0.00 -1.26 -4.67 121.76 131.57 2kwb s ALA 51 Ca 0.73 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2kwb s ALA 51 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2kwb s ALA 51 CO 0.32 -1.69 0.00 -1.91 0.00 0.00 0.00 175.76 172.48 2kwb n GLU 52 N 5.18 0.00 -0.08 0.00 2.13 -1.26 -5.03 120.64 121.59 2kwb n GLU 52 Ca -0.12 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.56 2kwb n GLU 52 Cb 0.44 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.06 2kwb n GLU 52 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2kwb h GLU 53 N 0.00 0.00 -4.06 5.31 4.11 -2.04 -3.44 114.58 114.46 2kwb h GLU 53 Ca 0.00 0.00 -0.76 0.00 0.07 0.00 0.00 59.36 58.67 2kwb h GLU 53 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 2kwb h GLU 53 CO 0.00 0.76 -0.19 0.20 0.07 0.00 0.00 179.01 179.85 2kwb s GLY 54 N -4.36 2.18 0.00 1.06 0.00 -1.26 -4.51 107.32 100.42 2kwb s GLY 54 Ca -0.20 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 41.86 2kwb s GLY 54 CO 0.51 1.20 0.00 0.00 0.00 0.00 0.00 173.10 174.81 2kwb n ALA 55 N 5.02 0.00 -0.09 3.20 0.00 -1.26 -4.97 120.51 122.41 2kwb n ALA 55 Ca -0.09 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.60 2kwb n ALA 55 Cb 0.41 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.58 2kwb n ALA 55 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kwb h GLU 56 N 0.00 0.00 -6.94 0.00 -0.00 -1.91 -3.43 114.58 102.30 2kwb h GLU 56 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.81 2kwb h GLU 56 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 28.75 28.87 2kwb h GLU 56 CO 0.00 0.00 0.67 -3.47 -0.00 0.00 0.00 179.01 176.21 2kwb n ASP 57 N -4.07 3.26 -0.17 3.06 2.03 -1.26 -4.94 116.55 114.46 2kwb n ASP 57 Ca 0.15 1.14 0.03 0.00 0.52 0.00 0.00 54.79 56.63 2kwb n ASP 57 Cb 0.86 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.68 2kwb n ASP 57 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kwb n ASP 58 N 0.03 1.10 0.00 1.67 5.75 -1.26 -4.90 116.55 118.93 2kwb n ASP 58 Ca 0.05 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 2kwb n ASP 58 Cb 0.40 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kwb n GLY 59 N 0.66 0.00 1.11 6.12 0.00 -1.26 -5.13 105.19 106.69 2kwb n GLY 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kwb n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kwb n SER 60 N 0.00 -6.16 0.01 1.61 7.64 -1.26 -4.95 113.62 110.51 2kwb n SER 60 Ca 0.00 0.76 0.11 0.00 1.01 0.00 0.00 58.87 60.75 2kwb n SER 60 Cb 0.00 -2.58 -0.11 0.00 -1.01 0.00 0.00 64.21 60.51 2kwb n SER 60 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kwb n ASP 61 N 0.26 0.37 -0.79 6.43 5.75 -1.26 -4.95 116.55 122.36 2kwb n ASP 61 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2kwb n ASP 61 Cb 0.00 1.47 0.00 0.00 -1.03 0.00 0.00 41.12 41.56 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kwb n GLU 62 N -2.11 2.45 -3.51 0.11 1.02 -1.26 -5.04 120.64 112.29 2kwb n GLU 62 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 2kwb n GLU 62 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.86 2kwb n GLU 62 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwb n HIS 63 N -0.03 3.69 -3.34 -0.32 8.25 -1.26 -5.07 115.22 117.14 2kwb n HIS 63 Ca 0.00 -3.92 -0.38 0.00 -0.26 0.00 0.00 57.72 53.17 2kwb n HIS 63 Cb 0.00 -0.97 -0.06 0.00 1.12 0.00 0.00 29.99 30.08 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 -1.88 5.20 -1.55 1.59 1.01 -1.26 -4.98 120.40 118.53 2kwb s VAL 64 Ca 0.31 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 2kwb s VAL 64 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kwb s VAL 64 CO -0.07 0.33 2.65 -0.62 0.00 0.00 0.00 175.10 177.40 2kwb n GLU 65 N 3.67 3.41 -4.29 2.72 1.02 -0.74 -4.90 120.64 121.54 2kwb n GLU 65 Ca -0.08 -2.41 -0.30 0.00 -0.02 0.00 0.00 57.16 54.35 2kwb n GLU 65 Cb 0.52 -2.98 -0.11 0.00 -0.02 0.00 0.00 31.44 28.85 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kwb s ARG 66 N 2.43 1.99 0.00 3.49 1.04 -1.26 -0.12 118.95 126.51 2kwb s ARG 66 Ca 0.60 -1.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.21 2kwb s ARG 66 Cb 0.16 -2.22 0.00 0.00 -2.04 0.00 0.00 34.95 30.85 2kwb s ARG 66 CO -0.07 0.50 0.00 0.41 -0.04 0.00 0.00 175.30 176.10 2kwb n GLY 67 N 0.81 0.63 3.49 3.88 0.00 -0.01 -4.99 105.19 109.00 2kwb n GLY 67 Ca -0.15 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 3.50 0.41 -0.61 -4.36 -1.26 -1.02 121.20 117.86 2kwb s ILE 68 Ca 0.00 -0.53 0.23 0.00 -0.26 0.00 0.00 60.65 60.09 2kwb s ILE 68 Cb 0.00 -2.46 0.42 0.00 1.25 0.00 0.00 42.46 41.67 2kwb s ILE 68 CO 0.00 0.55 1.71 -0.78 0.24 0.00 0.00 174.94 176.66 2kwb h ASP 69 N 6.05 0.37 -0.07 4.36 3.58 -1.41 -2.69 116.42 126.61 2kwb h ASP 69 Ca -0.37 0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.20 2kwb h ASP 69 Cb 1.19 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 2kwb h ASP 69 CO 0.56 -0.03 -0.29 0.40 -2.88 0.00 0.00 179.24 177.00 2kwb h ILE 70 N 0.27 0.00 -0.42 2.25 2.04 -1.95 0.66 117.51 120.36 2kwb h ILE 70 Ca 0.68 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.46 2kwb h ILE 70 Cb 1.91 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2kwb h ILE 70 CO -0.35 0.00 -0.09 -0.37 0.00 0.00 0.00 178.15 177.34 2kwb h VAL 71 N -0.32 1.25 -0.45 1.67 -1.51 -1.84 -2.59 116.25 112.46 2kwb h VAL 71 Ca 0.02 -1.11 -0.11 0.00 -1.23 0.00 0.00 66.70 64.26 2kwb h VAL 71 Cb 0.37 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.53 2kwb h VAL 71 CO -0.23 0.38 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.24 2kwb h LEU 72 N 0.68 0.87 -0.29 4.19 3.38 -1.40 0.14 115.31 122.88 2kwb h LEU 72 Ca 0.12 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2kwb h LEU 72 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kwb h LEU 72 CO 0.03 1.04 -0.01 -1.13 0.09 0.00 0.00 178.44 178.46 2kwb h ASN 73 N 0.76 0.51 -0.31 -0.43 -0.73 -0.68 -3.08 115.58 111.62 2kwb h ASN 73 Ca 0.11 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 57.96 2kwb h ASN 73 Cb 0.70 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.16 2kwb h ASN 73 CO 0.05 0.71 0.00 1.41 -0.37 0.00 0.00 177.43 179.23 2kwb n HIS 74 N -4.57 0.41 -3.18 0.67 8.25 -0.99 -4.97 115.22 110.85 2kwb n HIS 74 Ca -0.03 -0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.18 2kwb n HIS 74 Cb 0.26 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 0.56 -1.41 -4.05 -0.41 5.02 -0.36 -4.89 118.16 112.62 2kwb n LYS 75 Ca 0.14 1.34 -0.34 0.00 -2.02 0.00 0.00 58.31 57.43 2kwb n LYS 75 Cb 0.34 -5.32 -0.15 0.00 -0.02 0.00 0.00 35.03 29.88 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 -4.27 2.63 0.20 -0.35 1.43 0.35 -3.07 118.68 115.59 2kwb s LEU 76 Ca 0.04 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 2kwb s LEU 76 Cb -0.01 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 2kwb s LEU 76 CO 0.77 0.00 0.69 0.54 0.23 0.00 0.00 176.35 178.58 2kwb s VAL 77 N 1.32 4.62 -0.04 -1.59 0.11 0.62 -4.66 120.40 120.77 2kwb s VAL 77 Ca 0.04 1.22 -0.30 0.00 -2.93 0.00 0.00 61.98 60.01 2kwb s VAL 77 Cb -0.14 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2kwb s VAL 77 CO -0.06 0.24 1.14 -1.83 -3.33 0.00 0.00 175.10 171.27 2kwb s GLU 78 N -1.89 4.39 0.13 1.54 -1.05 -1.26 -1.82 118.70 118.74 2kwb s GLU 78 Ca 0.41 1.61 0.04 0.00 -0.15 0.00 0.00 54.97 56.88 2kwb s GLU 78 Cb -0.17 -3.52 -0.04 0.00 -0.44 0.00 0.00 34.13 29.96 2kwb s GLU 78 CO 0.21 -0.36 -0.10 -1.64 0.95 0.00 0.00 175.26 174.32 2kwb s MET 79 N 1.92 1.00 0.06 -4.83 -1.94 0.11 -4.98 119.30 110.65 2kwb s MET 79 Ca 0.54 -1.40 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2kwb s MET 79 Cb -0.24 -0.55 -0.03 0.00 2.01 0.00 0.00 34.83 36.02 2kwb s MET 79 CO 0.23 0.06 -0.18 -0.80 -0.01 0.00 0.00 175.02 174.32 2kwb s ASN 80 N -3.07 2.11 0.43 3.03 0.01 -1.26 -0.75 114.94 115.44 2kwb s ASN 80 Ca 0.15 -0.56 0.18 0.00 -0.71 0.00 0.00 52.86 51.91 2kwb s ASN 80 Cb 0.02 -0.13 0.96 0.00 0.41 0.00 0.00 41.25 42.51 2kwb s ASN 80 CO -0.00 0.06 1.47 0.00 -1.51 0.00 0.00 177.10 177.11 2kwb h TYR 82 N 0.00 1.04 0.00 0.00 -0.00 -1.98 -3.02 116.97 113.01 2kwb h TYR 82 Ca 0.00 0.03 -0.36 0.00 -0.00 0.00 0.00 58.73 58.40 2kwb h TYR 82 Cb 0.64 -0.35 -0.07 0.00 -0.00 0.00 0.00 36.73 36.96 2kwb h TYR 82 CO 0.00 0.61 -2.36 -1.91 -0.00 0.00 0.00 178.16 174.50 2kwb n GLU 83 N -4.54 0.67 0.00 0.10 2.13 -1.10 -4.41 120.64 113.49 2kwb n GLU 83 Ca 0.10 0.11 0.02 0.00 0.66 0.00 0.00 57.16 58.06 2kwb n GLU 83 Cb 0.07 -1.49 0.14 0.00 0.27 0.00 0.00 31.44 30.44 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kwb n ASP 84 N -3.10 0.00 -0.16 4.31 9.92 -1.24 -3.92 116.55 122.35 2kwb n ASP 84 Ca -0.40 -0.81 -0.03 0.00 -0.53 0.00 0.00 54.79 53.01 2kwb n ASP 84 Cb 0.99 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.50 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwb h ALA 85 N 2.28 0.28 -0.23 2.24 0.00 -1.74 -0.74 119.26 121.34 2kwb h ALA 85 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2kwb h ALA 85 Cb 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kwb h ALA 85 CO 0.00 -0.48 -0.37 0.77 0.00 0.00 0.00 179.25 179.18 2kwb h SER 86 N -0.04 0.54 -0.11 0.00 0.02 -1.92 0.35 113.55 112.40 2kwb h SER 86 Ca 0.24 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2kwb h SER 86 Cb 0.41 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2kwb h SER 86 CO -0.54 0.86 -0.08 0.24 -1.14 0.00 0.00 176.83 176.17 2kwb h MET 87 N 0.43 -0.09 -0.18 3.45 2.07 -1.56 -1.32 114.93 117.74 2kwb h MET 87 Ca 0.04 0.01 -0.11 0.00 -2.07 0.00 0.00 59.70 57.58 2kwb h MET 87 Cb 0.84 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 2kwb h MET 87 CO 0.07 -0.06 -0.35 0.74 1.07 0.00 0.00 176.91 178.38 2kwb h PHE 88 N -0.10 0.43 0.15 -0.22 0.04 -1.05 -0.17 116.94 116.03 2kwb h PHE 88 Ca 0.07 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2kwb h PHE 88 Cb 0.20 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 2kwb h PHE 88 CO -0.20 0.68 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.70 2kwb h LYS 89 N 0.32 -0.49 -0.18 1.51 1.63 -0.45 0.14 116.57 119.05 2kwb h LYS 89 Ca 0.04 0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.68 2kwb h LYS 89 Cb 0.76 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2kwb h LYS 89 CO 0.06 -0.32 -0.67 0.00 -3.45 0.00 0.00 179.45 175.07 2kwb h ALA 90 N 0.19 0.48 0.42 5.00 0.00 -1.26 -2.61 119.26 121.48 2kwb h ALA 90 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2kwb h ALA 90 Cb 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kwb h ALA 90 CO -0.13 0.70 -0.25 -0.92 0.00 0.00 0.00 179.25 178.65 2kwb h TYR 91 N 0.50 -0.64 -0.47 0.00 3.20 -0.86 -1.14 116.97 117.56 2kwb h TYR 91 Ca -0.02 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2kwb h TYR 91 Cb 1.27 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 2kwb h TYR 91 CO 0.07 -0.38 0.17 0.82 -1.64 0.00 0.00 178.16 177.19 2kwb h ILE 92 N -0.63 1.18 0.71 1.81 1.08 -0.82 0.17 117.51 121.02 2kwb h ILE 92 Ca -0.05 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 2kwb h ILE 92 Cb 0.51 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2kwb h ILE 92 CO 0.06 0.23 -0.47 0.50 -0.69 0.00 0.00 178.15 177.77 2kwb h LYS 93 N 0.66 -1.08 -0.85 2.37 1.63 -1.20 0.77 116.57 118.87 2kwb h LYS 93 Ca 0.16 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 2kwb h LYS 93 Cb 0.16 0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 2kwb h LYS 93 CO -0.01 -0.72 0.45 -0.22 -3.45 0.00 0.00 179.45 175.50 2kwb h LYS 94 N -1.12 1.20 0.46 1.90 1.63 -1.06 -2.60 116.57 116.97 2kwb h LYS 94 Ca -0.09 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2kwb h LYS 94 Cb 0.91 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2kwb h LYS 94 CO 0.07 0.89 -0.35 0.35 -3.45 0.00 0.00 179.45 176.96 2kwb h PHE 95 N 1.20 -0.93 -0.75 1.91 3.57 -0.57 -1.49 116.94 119.88 2kwb h PHE 95 Ca 0.30 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.91 2kwb h PHE 95 Cb 0.05 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 2kwb h PHE 95 CO 0.01 -0.51 0.37 1.98 -2.23 0.00 0.00 178.31 177.93 2kwb h MET 96 N -0.79 0.58 -0.55 1.11 4.05 -0.73 -0.09 114.93 118.50 2kwb h MET 96 Ca -0.05 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2kwb h MET 96 Cb 0.68 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 2kwb h MET 96 CO 0.01 0.38 0.30 0.87 0.23 0.00 0.00 176.91 178.70 2kwb h LYS 97 N 0.60 0.78 -0.09 0.39 1.57 -1.30 -2.37 116.57 116.15 2kwb h LYS 97 Ca 0.38 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2kwb h LYS 97 Cb 0.46 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.62 2kwb h LYS 97 CO -0.30 0.60 -0.43 -0.97 -0.57 0.00 0.00 179.45 177.78 2kwb h ASN 98 N 0.75 0.53 -0.49 0.86 -0.73 -0.49 -2.71 115.58 113.30 2kwb h ASN 98 Ca 0.19 -0.65 -0.10 0.00 1.87 0.00 0.00 56.30 57.62 2kwb h ASN 98 Cb 0.06 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 2kwb h ASN 98 CO -0.03 1.09 -0.05 -0.37 -0.37 0.00 0.00 177.43 177.70 2kwb h VAL 99 N 0.01 1.26 -0.20 2.57 -1.51 -1.05 0.24 116.25 117.57 2kwb h VAL 99 Ca -0.03 -1.16 -0.03 0.00 -1.23 0.00 0.00 66.70 64.25 2kwb h VAL 99 Cb 1.08 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 2kwb h VAL 99 CO 0.09 0.41 0.02 0.40 -1.23 0.00 0.00 177.57 177.26 2kwb h ILE 100 N 0.86 1.23 -0.75 7.19 1.08 -1.51 0.14 117.51 125.76 2kwb h ILE 100 Ca 0.15 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.88 2kwb h ILE 100 Cb 0.58 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 2kwb h ILE 100 CO 0.03 0.24 0.46 -0.78 -0.69 0.00 0.00 178.15 177.41 2kwb h ASP 101 N 0.12 0.74 -0.28 1.72 3.58 -1.31 -1.10 116.42 119.88 2kwb h ASP 101 Ca 0.06 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 2kwb h ASP 101 Cb 0.34 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2kwb h ASP 101 CO 0.01 0.49 -0.03 -0.74 -2.88 0.00 0.00 179.24 176.09 2kwb h HIS 102 N 0.87 0.67 -0.48 0.28 2.76 -0.33 -1.89 115.15 117.04 2kwb h HIS 102 Ca 0.31 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2kwb h HIS 102 Cb 0.08 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2kwb h HIS 102 CO -0.04 0.66 -0.21 0.52 -1.30 0.00 0.00 177.93 177.55 2kwb h MET 103 N 0.60 0.98 -0.63 5.26 2.86 -0.04 -0.68 114.93 123.27 2kwb h MET 103 Ca 0.12 -0.41 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 2kwb h MET 103 Cb 0.42 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2kwb h MET 103 CO 0.02 1.08 0.42 1.49 1.06 0.00 0.00 176.91 180.98 2kwb h GLU 104 N 0.85 0.71 -0.13 1.72 4.81 -0.94 0.33 114.58 121.92 2kwb h GLU 104 Ca 0.11 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2kwb h GLU 104 Cb 0.78 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2kwb h GLU 104 CO 0.06 0.47 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.44 2kwb h LYS 105 N 0.73 0.34 0.00 1.92 3.11 -0.77 -3.32 116.57 118.57 2kwb h LYS 105 Ca 0.26 -0.19 -0.22 0.00 -2.81 0.00 0.00 60.65 57.69 2kwb h LYS 105 Cb 0.11 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 2kwb h LYS 105 CO -0.07 0.75 -2.04 0.27 -2.81 0.00 0.00 179.45 175.55 2kwb n ASN 106 N -4.56 0.22 0.05 4.20 2.04 -0.32 -4.87 115.26 112.03 2kwb n ASN 106 Ca -0.06 0.10 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 2kwb n ASN 106 Cb 0.37 1.07 0.00 0.00 -2.53 0.00 0.00 39.78 38.69 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2kwb n ASN 107 N -2.65 0.58 0.00 0.53 3.02 0.83 -5.01 115.26 112.56 2kwb n ASN 107 Ca -0.19 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2kwb n ASN 107 Cb 0.91 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 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 -3.18 0.00 -1.79 3.52 1.85 0.70 -4.94 116.66 112.82 2kwb n ARG 108 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2kwb n ARG 108 Cb 0.00 -2.78 -0.03 0.00 -1.05 0.00 0.00 32.46 28.60 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kwb s ASP 109 N -1.95 6.46 0.31 2.89 2.15 -1.26 -4.85 116.67 120.43 2kwb s ASP 109 Ca 0.00 2.73 0.08 0.00 0.43 0.00 0.00 52.55 55.79 2kwb s ASP 109 Cb 0.00 -2.58 0.80 0.00 -0.30 0.00 0.00 42.92 40.84 2kwb s ASP 109 CO 0.00 -0.95 1.77 0.07 -0.17 0.00 0.00 175.17 175.89 2kwb h LYS 110 N 7.65 0.68 0.07 4.34 2.10 -1.99 -0.21 116.57 129.21 2kwb h LYS 110 Ca -0.44 -0.04 -0.25 0.00 -2.00 0.00 0.00 60.65 57.92 2kwb h LYS 110 Cb 1.21 -0.15 0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2kwb h LYS 110 CO 0.94 0.45 -1.11 0.00 -2.00 0.00 0.00 179.45 177.74 2kwb h ALA 111 N 1.66 0.22 0.09 0.07 0.00 -1.99 -2.58 119.26 116.72 2kwb h ALA 111 Ca 0.59 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kwb h ALA 111 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kwb h ALA 111 CO -0.39 0.88 -0.04 0.22 0.00 0.00 0.00 179.25 179.92 2kwb h ASP 112 N 0.16 -0.10 0.57 0.00 1.82 -1.55 -0.12 116.42 117.20 2kwb h ASP 112 Ca -0.11 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.17 2kwb h ASP 112 Cb 1.79 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.82 2kwb h ASP 112 CO 0.19 0.29 -0.10 -0.37 -1.61 0.00 0.00 179.24 177.63 2kwb h VAL 113 N -0.50 0.38 0.44 2.25 -1.51 -1.22 0.20 116.25 116.28 2kwb h VAL 113 Ca -0.01 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 64.85 2kwb h VAL 113 Cb 0.42 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2kwb h VAL 113 CO 0.02 0.10 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.47 2kwb h ASP 114 N 0.00 -0.50 -1.00 4.19 3.58 -1.32 -2.51 116.42 118.86 2kwb h ASP 114 Ca -0.00 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.62 2kwb h ASP 114 Cb 0.42 0.13 -0.10 0.00 1.72 0.00 0.00 39.33 41.50 2kwb h ASP 114 CO 0.01 -0.14 0.61 0.00 -2.88 0.00 0.00 179.24 176.84 2kwb h ALA 115 N -1.30 1.58 0.84 -0.78 0.00 -0.80 0.24 119.26 119.03 2kwb h ALA 115 Ca -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kwb h ALA 115 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kwb h ALA 115 CO 0.10 0.08 -0.46 0.35 0.00 0.00 0.00 179.25 179.31 2kwb h PHE 116 N 0.87 -1.22 -0.23 0.00 3.57 -0.72 -0.95 116.94 118.26 2kwb h PHE 116 Ca 0.54 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 62.04 2kwb h PHE 116 Cb 0.70 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2kwb h PHE 116 CO -0.01 -0.72 0.16 1.57 -2.23 0.00 0.00 178.31 177.08 2kwb h LYS 117 N -1.21 0.23 -0.29 1.11 2.10 -0.95 0.12 116.57 117.69 2kwb h LYS 117 Ca -0.11 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2kwb h LYS 117 Cb 0.95 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2kwb h LYS 117 CO 0.15 0.15 0.14 0.87 -2.00 0.00 0.00 179.45 178.76 2kwb h LYS 118 N 0.24 0.41 0.40 0.07 1.79 -0.74 -0.84 116.57 117.90 2kwb h LYS 118 Ca 0.09 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2kwb h LYS 118 Cb 0.08 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2kwb h LYS 118 CO -0.02 0.40 -0.19 0.87 -1.08 0.00 0.00 179.45 179.42 2kwb h LYS 119 N 0.33 -0.52 -0.51 3.15 1.57 0.04 -1.77 116.57 118.86 2kwb h LYS 119 Ca 0.10 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2kwb h LYS 119 Cb 0.12 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2kwb h LYS 119 CO -0.01 -0.21 -0.12 0.97 -0.57 0.00 0.00 179.45 179.51 2kwb h ILE 120 N -0.91 1.27 -0.21 1.86 6.09 -1.10 0.17 117.51 124.68 2kwb h ILE 120 Ca -0.06 -1.26 -0.06 0.00 -1.37 0.00 0.00 64.86 62.11 2kwb h ILE 120 Cb 0.55 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 2kwb h ILE 120 CO 0.09 0.44 -0.09 -0.61 -3.07 0.00 0.00 178.15 174.91 2kwb h GLN 121 N 0.84 0.43 -0.86 2.19 -0.00 -1.27 -0.83 115.11 115.62 2kwb h GLN 121 Ca 0.13 -0.18 0.04 0.00 -0.00 0.00 0.00 58.65 58.64 2kwb h GLN 121 Cb 0.68 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.09 2kwb h GLN 121 CO 0.05 0.71 0.55 0.78 0.00 0.00 0.00 178.83 180.92 2kwb h GLY 122 N 0.14 1.26 0.95 2.39 0.00 -1.25 -1.48 103.07 105.09 2kwb h GLY 122 Ca 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2kwb h GLY 122 CO 0.03 0.34 -0.21 -0.25 0.00 0.00 0.00 176.54 176.45 2kwb h TRP 123 N 1.06 -0.54 -0.47 5.60 2.91 -0.49 -2.55 115.95 121.47 2kwb h TRP 123 Ca 0.35 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.29 2kwb h TRP 123 Cb 0.04 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2kwb h TRP 123 CO -0.02 -0.33 0.02 -0.39 -1.03 0.00 0.00 178.44 176.69 2kwb h VAL 124 N -0.55 1.23 -0.67 2.65 -1.51 -1.02 0.45 116.25 116.84 2kwb h VAL 124 Ca -0.05 -0.95 0.02 0.00 -1.23 0.00 0.00 66.70 64.49 2kwb h VAL 124 Cb 0.44 0.85 -0.04 0.00 -2.13 0.00 0.00 31.29 30.41 2kwb h VAL 124 CO 0.06 0.34 0.43 0.58 -1.23 0.00 0.00 177.57 177.75 2kwb h VAL 125 N 0.72 1.13 0.01 7.19 2.07 -1.22 -0.33 116.25 125.83 2kwb h VAL 125 Ca 0.15 -0.30 -0.25 0.00 0.82 0.00 0.00 66.70 67.12 2kwb h VAL 125 Cb 0.41 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2kwb h VAL 125 CO 0.01 0.16 -1.00 -1.28 0.02 0.00 0.00 177.57 175.48 2kwb h SER 126 N 0.86 0.70 -0.29 0.57 0.87 -1.15 -3.26 113.55 111.85 2kwb h SER 126 Ca 0.26 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2kwb h SER 126 Cb -0.05 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 2kwb h SER 126 CO -0.08 1.37 0.15 0.25 -0.53 0.00 0.00 176.83 177.99 2kwb h LEU 127 N 0.30 0.40 -0.92 2.23 5.85 0.23 -1.05 115.31 122.36 2kwb h LEU 127 Ca -0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kwb h LEU 127 Cb 1.65 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2kwb h LEU 127 CO 0.18 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.82 2kwb n LEU 128 N -4.42 1.40 -4.55 2.25 4.77 -0.16 -4.77 117.00 111.52 2kwb n LEU 128 Ca 0.02 -0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 55.06 2kwb n LEU 128 Cb 0.12 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2kwb n LEU 128 CO 0.36 0.28 2.00 0.00 -1.33 0.00 0.00 177.39 178.69 2kwb n ALA 129 N 0.13 0.96 0.15 -1.18 0.00 -0.40 -4.81 120.51 115.36 2kwb n ALA 129 Ca 0.17 -0.67 0.05 0.00 0.00 0.00 0.00 53.44 52.99 2kwb n ALA 129 Cb 0.30 -3.01 0.22 0.00 0.00 0.00 0.00 19.45 16.96 2kwb n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kwb n LYS 130 N 8.84 0.05 -0.11 0.00 2.85 -1.26 -2.11 118.16 126.42 2kwb n LYS 130 Ca 0.39 0.49 -0.25 0.00 -1.05 0.00 0.00 58.31 57.88 2kwb n LYS 130 Cb 0.45 -1.63 -0.11 0.00 -0.65 0.00 0.00 35.03 33.09 2kwb n LYS 130 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kwb n ASP 131 N -1.73 1.93 -0.09 -5.58 2.03 -1.26 -4.31 116.55 107.54 2kwb n ASP 131 Ca 0.00 0.32 -0.13 0.00 0.52 0.00 0.00 54.79 55.51 2kwb n ASP 131 Cb 0.05 -0.85 -0.06 0.00 -0.72 0.00 0.00 41.12 39.54 2kwb n ASP 131 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kwb n ARG 132 N -4.18 0.51 0.00 -0.67 3.00 -1.11 -4.18 116.66 110.02 2kwb n ARG 132 Ca -0.43 0.46 0.08 0.00 -0.00 0.00 0.00 57.85 57.97 2kwb n ARG 132 Cb 0.83 -1.64 0.42 0.00 0.00 0.00 0.00 32.46 32.07 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwb n PHE 133 N -4.50 0.00 0.23 -0.14 3.01 -0.90 -2.95 117.46 112.22 2kwb n PHE 133 Ca -0.21 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.40 2kwb n PHE 133 Cb 0.50 -0.29 0.63 0.00 -0.01 0.00 0.00 39.48 40.30 2kwb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2kwb h LYS 134 N 0.00 0.00 -0.08 -1.08 3.64 -1.71 -0.33 116.57 117.01 2kwb h LYS 134 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kwb h LYS 134 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 2kwb n ASN 135 N -3.05 0.43 -4.77 4.20 5.03 -1.15 -4.87 115.26 111.08 2kwb n ASN 135 Ca 0.03 -1.94 -0.39 0.00 0.87 0.00 0.00 54.58 53.15 2kwb n ASN 135 Cb 0.64 -0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 39.30 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kwb s LEU 136 N -1.07 4.45 -0.29 3.41 1.43 -0.14 -4.62 118.68 121.85 2kwb s LEU 136 Ca 0.08 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2kwb s LEU 136 Cb 0.04 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2kwb s LEU 136 CO 0.06 0.13 0.18 0.00 0.23 0.00 0.00 176.35 176.95 2kwb s ALA 137 N -0.40 3.46 -0.45 4.21 0.00 -0.72 -4.68 121.76 123.19 2kwb s ALA 137 Ca 0.32 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2kwb s ALA 137 Cb -0.19 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.50 2kwb s ALA 137 CO 0.19 -0.68 0.45 -0.06 0.00 0.00 0.00 175.76 175.66 2kwb s PHE 138 N 1.72 3.17 -0.24 0.00 0.08 0.07 -1.00 117.98 121.78 2kwb s PHE 138 Ca 0.06 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 2kwb s PHE 138 Cb -0.16 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.20 2kwb s PHE 138 CO 0.10 -0.77 0.22 -0.06 -0.10 0.00 0.00 175.22 174.60 2kwb s PHE 139 N 2.11 3.32 0.04 0.36 0.40 -0.06 0.07 117.98 124.21 2kwb s PHE 139 Ca 0.11 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 2kwb s PHE 139 Cb -0.19 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 2kwb s PHE 139 CO 0.12 0.02 -0.08 -1.50 0.70 0.00 0.00 175.22 174.48 2kwb s ILE 140 N 1.21 0.57 -0.20 0.64 2.07 -0.76 -0.24 121.20 124.48 2kwb s ILE 140 Ca 0.10 -0.99 -0.39 0.00 -1.41 0.00 0.00 60.65 57.96 2kwb s ILE 140 Cb -0.14 -0.61 -0.16 0.00 0.13 0.00 0.00 42.46 41.68 2kwb s ILE 140 CO 0.06 -0.31 1.68 0.61 -1.91 0.00 0.00 174.94 175.07 2kwb n GLY 141 N 1.63 0.82 0.37 1.50 0.00 -1.26 -0.28 105.19 107.98 2kwb n GLY 141 Ca -0.21 0.89 0.17 0.00 0.00 0.00 0.00 46.02 46.86 2kwb n GLY 141 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kwb h GLU 142 N 6.82 0.23 -0.87 1.61 -0.00 -1.90 0.26 114.58 120.74 2kwb h GLU 142 Ca -0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 58.87 2kwb h GLU 142 Cb 1.32 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.98 2kwb h GLU 142 CO 0.93 0.15 0.49 0.07 -0.00 0.00 0.00 179.01 180.65 2kwb h ARG 143 N 0.24 1.19 0.24 1.06 0.11 -1.88 -2.97 114.38 112.38 2kwb h ARG 143 Ca 0.30 -0.13 -0.32 0.00 0.10 0.00 0.00 59.98 59.93 2kwb h ARG 143 Cb 0.86 -0.24 0.04 0.00 1.11 0.00 0.00 29.97 31.73 2kwb h ARG 143 CO -0.06 0.86 -1.44 0.00 0.10 0.00 0.00 179.97 179.43 2kwb h ALA 144 N 1.33 -0.13 -0.01 0.08 0.00 -0.93 -3.28 119.26 116.32 2kwb h ALA 144 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kwb h ALA 144 Cb 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kwb h ALA 144 CO -0.05 0.69 0.07 0.00 0.00 0.00 0.00 179.25 179.96 2kwb h ALA 145 N 0.14 1.14 0.00 0.00 0.00 -1.02 0.05 119.26 119.57 2kwb h ALA 145 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kwb h ALA 145 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2kwb h ALA 145 CO 0.26 -0.08 0.00 1.49 0.00 0.00 0.00 179.25 180.92 2kwb h GLU 146 N 0.00 0.00 -0.08 0.00 4.81 -1.58 -3.46 114.58 114.27 2kwb h GLU 146 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kwb h GLU 146 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kwb h GLU 146 CO -0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2kwb n GLY 147 N -0.86 1.03 0.06 1.92 0.00 0.00 -4.99 105.19 102.34 2kwb n GLY 147 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N -1.07 2.70 -3.07 4.61 0.00 -1.23 -5.04 120.51 117.40 2kwb n ALA 148 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2kwb n ALA 148 Cb 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2kwb n ALA 148 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kwb n GLU 149 N -2.44 0.09 0.13 0.00 0.28 -1.26 -5.09 120.64 112.35 2kwb n GLU 149 Ca -0.02 -0.18 -0.05 0.00 -0.16 0.00 0.00 57.16 56.74 2kwb n GLU 149 Cb 0.56 0.23 -0.03 0.00 1.43 0.00 0.00 31.44 33.63 2kwb n GLU 149 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kwb h ASN 150 N 0.17 -0.29 -3.97 -1.84 4.21 -1.96 -3.47 115.58 108.43 2kwb h ASN 150 Ca -0.03 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2kwb h ASN 150 Cb 0.11 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2kwb h ASN 150 CO 0.04 -0.16 -0.54 0.61 -1.29 0.00 0.00 177.43 176.09 2kwb n GLY 151 N -0.35 -3.68 3.76 2.83 0.00 -1.26 -4.93 105.19 101.57 2kwb n GLY 151 Ca -0.04 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.75 3.60 -0.17 1.61 0.74 -1.26 -5.08 119.66 114.35 2kwb s GLN 152 Ca 0.00 -0.25 -0.15 0.00 0.05 0.00 0.00 55.36 55.01 2kwb s GLN 152 Cb 0.00 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 2kwb s GLN 152 CO 0.00 0.57 0.37 0.08 -0.55 0.00 0.00 175.29 175.76 2kwb s VAL 153 N -0.45 5.24 -0.23 1.34 1.01 -1.26 -4.38 120.40 121.67 2kwb s VAL 153 Ca 0.11 0.68 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 2kwb s VAL 153 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2kwb s VAL 153 CO 0.02 0.32 0.34 0.00 0.00 0.00 0.00 175.10 175.77 2kwb s ALA 154 N 0.88 3.57 -0.28 5.51 0.00 0.66 -4.95 121.76 127.15 2kwb s ALA 154 Ca 0.19 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 2kwb s ALA 154 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2kwb s ALA 154 CO 0.07 -0.41 0.49 0.42 0.00 0.00 0.00 175.76 176.32 2kwb s ILE 155 N 1.53 5.08 -0.29 0.00 1.01 -1.04 -0.88 121.20 126.60 2kwb s ILE 155 Ca 0.15 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.41 2kwb s ILE 155 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2kwb s ILE 155 CO 0.08 0.04 0.16 -0.63 0.00 0.00 0.00 174.94 174.59 2kwb s ILE 156 N 2.28 4.83 -0.19 2.92 -1.09 -0.17 -0.24 121.20 129.54 2kwb s ILE 156 Ca 0.19 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 2kwb s ILE 156 Cb -0.16 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2kwb s ILE 156 CO 0.10 0.16 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.24 2kwb s GLU 157 N 1.67 3.56 -0.98 2.79 2.12 -1.00 -1.75 118.70 125.11 2kwb s GLU 157 Ca 0.06 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 2kwb s GLU 157 Cb -0.16 -3.00 0.12 0.00 0.26 0.00 0.00 34.13 31.35 2kwb s GLU 157 CO 0.08 0.03 1.23 0.71 -0.54 0.00 0.00 175.26 176.76 2kwb s TYR 158 N 0.92 3.04 0.39 5.30 1.51 -1.26 -2.14 117.35 125.11 2kwb s TYR 158 Ca 0.00 -1.36 0.04 0.00 -1.01 0.00 0.00 57.07 54.74 2kwb s TYR 158 Cb -0.14 -4.37 -0.05 0.00 -0.11 0.00 0.00 41.96 37.28 2kwb s TYR 158 CO 0.01 -1.57 0.05 -0.98 -1.11 0.00 0.00 175.55 171.95 2kwb s ARG 159 N 3.05 1.87 0.01 -0.62 1.70 -0.73 -4.86 118.95 119.36 2kwb s ARG 159 Ca 0.37 -2.09 -0.20 0.00 -0.47 0.00 0.00 55.73 53.34 2kwb s ARG 159 Cb -0.03 -1.15 -0.06 0.00 -0.57 0.00 0.00 34.95 33.14 2kwb s ARG 159 CO -0.08 -0.22 0.57 0.16 -1.08 0.00 0.00 175.30 174.65 2kwb s ASP 160 N -3.63 6.97 -0.56 -2.89 -4.77 -1.26 -0.70 116.67 109.83 2kwb s ASP 160 Ca 0.29 1.15 -0.07 0.00 -3.30 0.00 0.00 52.55 50.63 2kwb s ASP 160 Cb 0.07 -2.35 0.15 0.00 -1.09 0.00 0.00 42.92 39.69 2kwb s ASP 160 CO 0.14 0.14 0.41 -0.69 0.70 0.00 0.00 175.17 175.87 2kwb s VAL 161 N -0.37 4.09 0.00 2.11 1.01 0.44 -4.83 120.40 122.84 2kwb s VAL 161 Ca 0.30 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.96 2kwb s VAL 161 Cb -0.18 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2kwb s VAL 161 CO 0.17 -0.83 0.00 -0.67 0.00 0.00 0.00 175.10 173.77 2kwb n ASP 162 N 4.25 0.00 0.00 3.32 2.03 -1.26 -2.54 116.55 122.35 2kwb n ASP 162 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kwb n ASP 162 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 163 N 0.00 0.87 3.25 0.27 0.00 -1.26 -5.13 105.19 103.19 2kwb n GLY 163 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.00 -0.52 2.61 2.01 -1.05 -5.08 115.64 115.61 2kwb s THR 164 Ca 0.00 -1.03 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 2kwb s THR 164 Cb 0.00 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2kwb s THR 164 CO 0.00 0.56 1.03 -1.61 -0.69 0.00 0.00 174.62 173.91 2kwb s GLU 165 N -0.10 3.51 0.06 4.92 0.41 -1.26 -0.42 118.70 125.82 2kwb s GLU 165 Ca -0.05 0.14 0.06 0.00 -0.41 0.00 0.00 54.97 54.70 2kwb s GLU 165 Cb -0.14 -3.98 -0.03 0.00 -1.78 0.00 0.00 34.13 28.20 2kwb s GLU 165 CO 0.04 -1.44 -0.16 0.14 -0.49 0.00 0.00 175.26 173.36 2kwb s VAL 166 N 4.23 1.27 -0.35 2.63 -7.23 0.13 -4.92 120.40 116.15 2kwb s VAL 166 Ca 0.39 -1.18 -0.20 0.00 -1.81 0.00 0.00 61.98 59.17 2kwb s VAL 166 Cb -0.10 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.69 2kwb s VAL 166 CO 0.25 -0.04 0.63 -2.16 -0.31 0.00 0.00 175.10 173.48 2kwb s PRO 167 N -1.41 3.68 0.16 4.82 0.04 -1.26 -1.77 135.00 139.26 2kwb s PRO 167 Ca 0.02 0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.15 2kwb s PRO 167 Cb -0.09 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2kwb s PRO 167 CO 0.02 -0.73 0.19 0.95 0.04 0.00 0.00 177.00 177.47 2kwb s THR 168 N 2.69 4.81 -0.27 1.26 -4.23 -0.91 -4.31 115.64 114.67 2kwb s THR 168 Ca 0.24 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 2kwb s THR 168 Cb -0.15 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 2kwb s THR 168 CO 0.15 -0.10 0.18 -0.22 -0.54 0.00 0.00 174.62 174.09 2kwb s LEU 169 N -3.15 4.01 -0.12 4.79 2.96 0.79 -2.37 118.68 125.59 2kwb s LEU 169 Ca 0.32 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2kwb s LEU 169 Cb -0.10 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2kwb s LEU 169 CO 0.25 -0.03 -0.01 -0.04 -1.32 0.00 0.00 176.35 175.20 2kwb s MET 170 N 1.63 3.36 -0.01 1.98 -1.94 0.67 -1.87 119.30 123.12 2kwb s MET 170 Ca 0.07 -0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 53.55 2kwb s MET 170 Cb -0.16 -2.88 0.00 0.00 2.01 0.00 0.00 34.83 33.81 2kwb s MET 170 CO 0.10 0.47 0.10 -0.51 -0.01 0.00 0.00 175.02 175.17 2kwb s LEU 171 N -0.25 1.67 0.14 -0.03 1.43 -0.25 -2.51 118.68 118.88 2kwb s LEU 171 Ca 0.05 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2kwb s LEU 171 Cb -0.12 0.48 -0.07 0.00 0.03 0.00 0.00 46.19 46.51 2kwb s LEU 171 CO 0.02 -0.24 1.05 -0.69 0.23 0.00 0.00 176.35 176.72 2kwb s VAL 172 N -0.88 4.15 0.13 -1.59 1.01 -1.26 -0.20 120.40 121.75 2kwb s VAL 172 Ca -0.10 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.48 2kwb s VAL 172 Cb -0.06 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2kwb s VAL 172 CO 0.01 0.27 1.78 0.50 0.00 0.00 0.00 175.10 177.66 2kwb h LYS 173 N 5.49 0.30 -0.30 2.72 3.64 -1.18 -2.12 116.57 125.12 2kwb h LYS 173 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kwb h LYS 173 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2kwb h LYS 173 CO 0.73 0.20 0.00 -0.85 -2.27 0.00 0.00 179.45 177.26 2kwb n GLU 174 N -4.94 1.53 -0.00 1.90 0.00 -1.26 -2.92 120.64 114.95 2kwb n GLU 174 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 57.16 56.51 2kwb n GLU 174 Cb 0.04 -1.23 -0.11 0.00 0.00 0.00 0.00 31.44 30.13 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kwb n ALA 175 N 0.08 3.81 -3.36 -1.84 0.00 -0.80 -4.85 120.51 113.54 2kwb n ALA 175 Ca 0.07 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 2kwb n ALA 175 Cb 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.85 0.29 -0.42 0.00 -4.36 -1.15 -3.10 121.20 109.61 2kwb s ILE 176 Ca 0.03 -0.04 -0.19 0.00 -0.26 0.00 0.00 60.65 60.19 2kwb s ILE 176 Cb 0.13 -0.32 0.02 0.00 1.25 0.00 0.00 42.46 43.54 2kwb s ILE 176 CO 0.74 0.14 0.52 -0.63 0.24 0.00 0.00 174.94 175.94 2kwb s ILE 177 N 0.59 4.99 -0.19 8.37 -1.09 0.13 -4.86 121.20 129.13 2kwb s ILE 177 Ca -0.06 -0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.04 2kwb s ILE 177 Cb -0.09 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2kwb s ILE 177 CO -0.01 -0.45 0.74 -1.61 -1.23 0.00 0.00 174.94 172.38 2kwb s GLU 178 N 2.41 4.24 -0.02 2.79 2.02 -1.26 -1.82 118.70 127.06 2kwb s GLU 178 Ca 0.17 0.82 0.07 0.00 0.02 0.00 0.00 54.97 56.05 2kwb s GLU 178 Cb -0.16 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2kwb s GLU 178 CO 0.15 -0.31 -0.24 -2.00 0.02 0.00 0.00 175.26 172.89 2kwb s GLU 179 N 2.11 2.01 -0.06 1.61 2.56 0.20 -5.02 118.70 122.11 2kwb s GLU 179 Ca 0.33 -0.86 0.03 0.00 0.00 0.00 0.00 54.97 54.48 2kwb s GLU 179 Cb -0.16 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.06 2kwb s GLU 179 CO 0.11 0.50 -0.15 -1.59 -0.56 0.00 0.00 175.26 173.57 2kwb s LYS 180 N -0.51 1.82 -0.49 4.30 0.00 -1.26 -1.65 119.74 121.96 2kwb s LYS 180 Ca 0.08 -0.53 0.03 0.00 0.00 0.00 0.00 55.97 55.55 2kwb s LYS 180 Cb -0.10 -1.52 0.14 0.00 0.00 0.00 0.00 37.83 36.35 2kwb s LYS 180 CO -0.00 0.13 0.28 0.00 0.00 0.00 0.00 175.35 175.76 2kwb s LEU 182 N -0.01 4.80 0.00 0.00 2.01 -1.26 -4.54 118.68 119.68 2kwb s LEU 182 Ca 0.19 -2.20 0.31 0.00 0.01 0.00 0.00 54.13 52.45 2kwb s LEU 182 Cb -0.20 -1.65 1.74 0.00 0.01 0.00 0.00 46.19 46.08 2kwb s LEU 182 CO -0.03 -0.39 2.13 -1.84 1.01 0.00 0.00 176.35 177.23