#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 4.07 -0.02 4.03 2.96 -0.94 -4.67 118.68 124.11 2kwb s LEU 2 Ca 0.00 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2kwb s LEU 2 Cb 0.00 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.46 2kwb s LEU 2 CO 0.00 -0.25 -0.12 0.27 -1.32 0.00 0.00 176.35 174.93 2kwb s ILE 3 N -2.26 0.96 -0.03 6.68 -4.36 -1.06 0.23 121.20 121.37 2kwb s ILE 3 Ca 0.39 -0.50 0.06 0.00 -0.26 0.00 0.00 60.65 60.34 2kwb s ILE 3 Cb -0.09 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.79 2kwb s ILE 3 CO 0.35 0.28 -0.22 -0.72 0.24 0.00 0.00 174.94 174.86 2kwb s TYR 4 N -0.16 2.07 -0.17 1.37 -0.85 -0.38 -1.63 117.35 117.60 2kwb s TYR 4 Ca 0.02 -0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 56.08 2kwb s TYR 4 Cb -0.06 -1.35 0.05 0.00 0.38 0.00 0.00 41.96 40.98 2kwb s TYR 4 CO -0.00 -0.10 -0.00 0.15 -1.52 0.00 0.00 175.55 174.08 2kwb s LYS 5 N -0.36 0.97 0.62 -3.49 1.02 -0.49 -2.64 119.74 115.37 2kwb s LYS 5 Ca 0.04 -0.44 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 2kwb s LYS 5 Cb -0.10 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 2kwb s LYS 5 CO 0.01 -0.53 1.07 -0.51 -0.92 0.00 0.00 175.35 174.46 2kwb s ASP 6 N 1.76 5.61 0.40 2.83 1.11 -1.26 -1.02 116.67 126.10 2kwb s ASP 6 Ca -0.00 1.83 0.21 0.00 0.18 0.00 0.00 52.55 54.77 2kwb s ASP 6 Cb -0.16 -2.53 0.75 0.00 1.07 0.00 0.00 42.92 42.04 2kwb s ASP 6 CO -0.07 -1.28 1.76 0.16 1.18 0.00 0.00 175.17 176.91 2kwb h ILE 7 N 0.24 0.71 0.00 0.77 3.07 -1.70 -2.91 117.51 117.69 2kwb h ILE 7 Ca -0.46 -1.37 -0.25 0.00 1.55 0.00 0.00 64.86 64.33 2kwb h ILE 7 Cb 1.22 1.88 -0.04 0.00 -0.27 0.00 0.00 36.82 39.61 2kwb h ILE 7 CO 0.57 0.30 -1.92 2.22 -1.05 0.00 0.00 178.15 178.27 2kwb n PHE 8 N -3.44 0.00 0.56 0.16 1.16 -1.26 -4.59 117.46 110.04 2kwb n PHE 8 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.62 2kwb n PHE 8 Cb 0.49 -0.61 0.16 0.00 -1.61 0.00 0.00 39.48 37.90 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kwb n THR 9 N -3.11 0.83 -0.33 1.97 -1.04 -1.26 -4.57 114.28 106.78 2kwb n THR 9 Ca -0.29 -0.53 0.20 0.00 -2.04 0.00 0.00 64.05 61.39 2kwb n THR 9 Cb 0.79 -0.10 0.45 0.00 -1.82 0.00 0.00 70.33 69.65 2kwb n THR 9 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2kwb h ASP 10 N 1.82 0.55 -0.65 8.00 3.58 -1.76 -1.88 116.42 126.08 2kwb h ASP 10 Ca 0.00 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2kwb h ASP 10 Cb 0.80 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 2kwb h ASP 10 CO 0.11 0.11 0.38 -2.24 -2.88 0.00 0.00 179.24 174.72 2kwb h ASP 11 N 0.48 0.82 -0.65 2.28 2.03 -1.88 -1.99 116.42 117.50 2kwb h ASP 11 Ca 0.61 -0.06 -0.24 0.00 -0.73 0.00 0.00 57.03 56.61 2kwb h ASP 11 Cb 1.36 -0.21 -0.14 0.00 -0.83 0.00 0.00 39.33 39.52 2kwb h ASP 11 CO -0.36 0.65 0.24 -1.84 -1.03 0.00 0.00 179.24 176.90 2kwb n GLU 12 N -4.38 2.98 -0.98 4.15 0.28 -0.72 -5.03 120.64 116.94 2kwb n GLU 12 Ca 0.07 -3.07 -0.35 0.00 -0.16 0.00 0.00 57.16 53.65 2kwb n GLU 12 Cb 0.09 -2.09 0.06 0.00 1.43 0.00 0.00 31.44 30.94 2kwb n GLU 12 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2kwb n LEU 13 N -0.58 -3.80 -3.92 -1.84 -0.00 -0.75 -5.02 117.00 101.10 2kwb n LEU 13 Ca 0.40 0.29 -0.10 0.00 -0.00 0.00 0.00 56.01 56.60 2kwb n LEU 13 Cb 1.31 -0.92 -0.10 0.00 -0.00 0.00 0.00 43.42 43.71 2kwb n LEU 13 CO 0.38 -5.09 -0.22 -0.44 -0.00 0.00 0.00 177.39 172.02 2kwb s SER 14 N -1.31 0.14 -0.18 1.45 0.01 -1.08 -5.03 113.70 107.69 2kwb s SER 14 Ca 0.48 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2kwb s SER 14 Cb -0.23 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2kwb s SER 14 CO 0.76 -0.43 0.52 -0.94 0.41 0.00 0.00 173.24 173.55 2kwb s SER 15 N -1.79 6.60 0.49 2.44 1.04 -1.26 -1.24 113.70 119.97 2kwb s SER 15 Ca -0.10 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.10 2kwb s SER 15 Cb -0.04 -2.29 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 2kwb s SER 15 CO -0.02 -0.15 0.26 -0.62 0.98 0.00 0.00 173.24 173.69 2kwb s ASP 16 N 1.04 4.49 0.00 7.02 -1.08 0.14 -4.92 116.67 123.36 2kwb s ASP 16 Ca 0.25 -1.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.02 2kwb s ASP 16 Cb -0.15 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.44 2kwb s ASP 16 CO 0.10 -0.87 0.32 -0.24 0.52 0.00 0.00 175.17 175.00 2kwb n SER 17 N -1.50 0.00 -4.91 -0.34 2.88 -1.26 -2.21 113.62 106.28 2kwb n SER 17 Ca -0.05 -1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 56.18 2kwb n SER 17 Cb 0.65 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.00 3.49 -0.54 0.66 0.08 -1.26 -5.06 117.98 115.35 2kwb s PHE 18 Ca 0.00 0.46 -0.21 0.00 0.12 0.00 0.00 56.93 57.30 2kwb s PHE 18 Cb 0.00 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2kwb s PHE 18 CO 0.00 0.48 0.74 -1.25 -0.10 0.00 0.00 175.22 175.09 2kwb s PRO 19 N -2.64 3.17 0.55 0.24 0.04 -1.26 -5.07 135.00 130.03 2kwb s PRO 19 Ca 0.39 -0.75 -0.06 0.00 0.04 0.00 0.00 61.00 60.62 2kwb s PRO 19 Cb -0.12 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.29 2kwb s PRO 19 CO 0.26 -1.37 0.87 -1.64 0.04 0.00 0.00 177.00 175.16 2kwb s MET 20 N 3.10 3.27 -0.12 4.56 -1.94 -1.26 -4.94 119.30 121.97 2kwb s MET 20 Ca 0.19 0.18 -0.00 0.00 -1.71 0.00 0.00 55.69 54.35 2kwb s MET 20 Cb -0.18 -2.29 0.02 0.00 2.01 0.00 0.00 34.83 34.40 2kwb s MET 20 CO 0.13 -0.47 -0.08 0.15 -0.01 0.00 0.00 175.02 174.74 2kwb s LYS 21 N -4.91 1.58 -0.30 2.03 1.02 -0.81 -5.01 119.74 113.34 2kwb s LYS 21 Ca 0.51 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 2kwb s LYS 21 Cb -0.10 -1.63 -0.00 0.00 -0.52 0.00 0.00 37.83 35.57 2kwb s LYS 21 CO 0.46 -0.27 1.36 -1.17 -0.92 0.00 0.00 175.35 174.82 2kwb s LEU 22 N 1.69 3.84 0.01 3.17 2.96 -1.26 -0.30 118.68 128.80 2kwb s LEU 22 Ca 0.05 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 2kwb s LEU 22 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2kwb s LEU 22 CO -0.08 -1.15 0.04 0.54 -1.32 0.00 0.00 176.35 174.37 2kwb s VAL 23 N 4.64 4.41 0.00 1.68 0.11 0.52 -4.47 120.40 127.29 2kwb s VAL 23 Ca 0.59 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2kwb s VAL 23 Cb -0.18 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2kwb s VAL 23 CO 0.25 0.34 0.00 -0.67 -3.33 0.00 0.00 175.10 171.69 2kwb n ASP 24 N 1.20 -4.75 -0.28 3.54 2.03 -1.26 -1.95 116.55 115.08 2kwb n ASP 24 Ca -0.13 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.14 2kwb n ASP 24 Cb 0.53 -2.94 -0.01 0.00 -0.72 0.00 0.00 41.12 37.97 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 -0.73 -5.33 -0.02 1.67 8.00 -1.26 -4.72 116.55 114.15 2kwb n ASP 25 Ca 0.00 0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 2kwb n ASP 25 Cb 0.37 -3.43 -0.01 0.00 -0.02 0.00 0.00 41.12 38.03 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 -0.41 1.14 -4.22 0.64 7.94 -0.82 -4.93 117.00 116.34 2kwb n LEU 26 Ca -0.03 0.02 -0.21 0.00 -1.11 0.00 0.00 56.01 54.68 2kwb n LEU 26 Cb 0.48 -0.11 -0.12 0.00 0.53 0.00 0.00 43.42 44.20 2kwb n LEU 26 CO 0.05 0.23 -0.49 0.68 -1.11 0.00 0.00 177.39 176.75 2kwb s VAL 27 N -2.06 1.39 -0.18 1.96 -7.23 -0.89 -0.83 120.40 112.56 2kwb s VAL 27 Ca -0.05 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.53 2kwb s VAL 27 Cb 0.02 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 2kwb s VAL 27 CO 0.07 -0.11 0.74 -0.31 -0.31 0.00 0.00 175.10 175.18 2kwb s TYR 28 N -1.15 3.41 -0.13 2.82 2.02 0.15 -0.35 117.35 124.11 2kwb s TYR 28 Ca 0.02 1.12 -0.08 0.00 -0.37 0.00 0.00 57.07 57.77 2kwb s TYR 28 Cb -0.10 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 2kwb s TYR 28 CO 0.03 -0.20 0.14 -2.00 -1.57 0.00 0.00 175.55 171.96 2kwb s GLU 29 N 1.98 3.58 -0.05 -0.62 2.12 0.59 -2.38 118.70 123.93 2kwb s GLU 29 Ca 0.34 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2kwb s GLU 29 Cb -0.16 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.02 2kwb s GLU 29 CO 0.12 0.69 0.02 0.12 -0.54 0.00 0.00 175.26 175.67 2kwb s PHE 30 N -0.79 0.35 -0.09 5.30 5.36 -0.90 -1.93 117.98 125.28 2kwb s PHE 30 Ca 0.14 0.04 -0.30 0.00 -0.96 0.00 0.00 56.93 55.85 2kwb s PHE 30 Cb -0.12 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 2kwb s PHE 30 CO 0.03 -0.22 1.22 0.21 -1.46 0.00 0.00 175.22 175.00 2kwb s LYS 31 N 1.78 4.31 -0.06 10.12 2.20 -1.26 -1.19 119.74 135.64 2kwb s LYS 31 Ca 0.01 1.67 -0.04 0.00 -0.36 0.00 0.00 55.97 57.25 2kwb s LYS 31 Cb -0.12 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2kwb s LYS 31 CO -0.03 -0.54 0.11 0.20 -0.36 0.00 0.00 175.35 174.73 2kwb s GLY 32 N 1.65 2.08 0.13 5.54 0.00 -1.24 -4.85 107.32 110.62 2kwb s GLY 32 Ca 0.55 -0.75 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 2kwb s GLY 32 CO 0.19 -0.56 0.50 1.25 0.00 0.00 0.00 173.10 174.48 2kwb s LYS 33 N -1.39 3.89 -0.43 2.90 2.20 -1.26 -4.64 119.74 121.01 2kwb s LYS 33 Ca 0.19 0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 55.89 2kwb s LYS 33 Cb -0.12 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 2kwb s LYS 33 CO 0.10 0.50 1.94 -1.01 -0.36 0.00 0.00 175.35 176.52 2kwb s HIS 34 N -1.46 1.60 0.08 4.03 3.76 -1.26 -2.40 115.29 119.64 2kwb s HIS 34 Ca 0.37 0.80 -0.09 0.00 -0.15 0.00 0.00 55.06 55.99 2kwb s HIS 34 Cb -0.14 -4.02 -0.00 0.00 1.11 0.00 0.00 32.58 29.53 2kwb s HIS 34 CO 0.19 -2.79 0.19 0.14 -0.85 0.00 0.00 174.74 171.61 2kwb s VAL 35 N 8.46 0.14 0.02 -0.90 -7.23 -1.05 -4.47 120.40 115.36 2kwb s VAL 35 Ca 0.80 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 2kwb s VAL 35 Cb -0.20 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 2kwb s VAL 35 CO 0.29 -0.62 -0.04 0.68 -0.31 0.00 0.00 175.10 175.09 2kwb s VAL 36 N -3.57 0.26 -0.27 1.32 -7.23 -1.26 -2.43 120.40 107.21 2kwb s VAL 36 Ca 0.03 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2kwb s VAL 36 Cb 0.04 -0.33 0.07 0.00 0.56 0.00 0.00 36.38 36.72 2kwb s VAL 36 CO -0.09 -0.30 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.25 2kwb s ARG 37 N -1.06 1.59 -0.33 4.82 1.81 -0.11 -3.94 118.95 121.74 2kwb s ARG 37 Ca -0.09 -1.29 -0.02 0.00 -1.72 0.00 0.00 55.73 52.62 2kwb s ARG 37 Cb -0.07 -2.73 0.12 0.00 -0.45 0.00 0.00 34.95 31.82 2kwb s ARG 37 CO -0.00 -0.72 0.16 0.21 -0.68 0.00 0.00 175.30 174.26 2kwb s LYS 38 N 1.24 0.51 0.00 3.54 2.47 -0.54 -1.46 119.74 125.51 2kwb s LYS 38 Ca -0.00 -1.03 0.00 0.00 -1.56 0.00 0.00 55.97 53.38 2kwb s LYS 38 Cb -0.19 -1.48 0.00 0.00 -1.46 0.00 0.00 37.83 34.70 2kwb s LYS 38 CO -0.09 -1.09 0.00 0.39 0.16 0.00 0.00 175.35 174.73 2kwb n GLU 39 N 4.63 0.00 -0.00 4.03 -0.58 -1.26 0.34 120.64 127.80 2kwb n GLU 39 Ca 0.02 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.79 2kwb n GLU 39 Cb 0.40 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.22 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 40 N 0.00 -0.17 3.65 0.62 0.00 -1.26 -4.98 105.19 103.04 2kwb n GLY 40 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.30 4.04 -0.27 1.61 2.56 0.15 -4.99 118.70 119.50 2kwb s GLU 41 Ca -0.02 1.67 -0.22 0.00 0.00 0.00 0.00 54.97 56.41 2kwb s GLU 41 Cb 0.04 -3.90 0.07 0.00 2.00 0.00 0.00 34.13 32.34 2kwb s GLU 41 CO 0.24 -0.98 0.71 -1.50 -0.56 0.00 0.00 175.26 173.18 2kwb s ILE 42 N 4.25 0.00 -0.05 -3.70 1.10 -1.26 -1.46 121.20 120.09 2kwb s ILE 42 Ca 0.63 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.73 2kwb s ILE 42 Cb -0.24 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.39 2kwb s ILE 42 CO 0.23 0.00 0.07 0.52 -2.11 0.00 0.00 174.94 173.66 2kwb n VAL 43 N 3.25-10.30 -3.31 4.00 0.31 -1.25 -4.99 118.33 106.04 2kwb n VAL 43 Ca -0.16 2.20 -0.38 0.00 -0.01 0.00 0.00 64.34 65.99 2kwb n VAL 43 Cb 0.56 -5.45 -0.06 0.00 -0.91 0.00 0.00 33.84 27.98 2kwb n VAL 43 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kwb s LEU 44 N -0.45 4.48 -0.08 7.52 2.01 -1.26 -5.01 118.68 125.88 2kwb s LEU 44 Ca -0.09 1.20 0.00 0.00 0.01 0.00 0.00 54.13 55.26 2kwb s LEU 44 Cb 0.01 -2.97 -0.25 0.00 0.01 0.00 0.00 46.19 42.98 2kwb s LEU 44 CO 0.23 0.23 0.53 0.00 1.01 0.00 0.00 176.35 178.36 2kwb h ALA 45 N 4.30 0.53 -3.08 4.21 0.00 -1.95 -3.43 119.26 119.84 2kwb h ALA 45 Ca -0.50 -1.38 -0.70 0.00 0.00 0.00 0.00 54.91 52.33 2kwb h ALA 45 Cb 1.21 0.58 -0.35 0.00 0.00 0.00 0.00 17.79 19.23 2kwb h ALA 45 CO 0.64 1.39 -0.28 0.20 0.00 0.00 0.00 179.25 181.19 2kwb s GLY 46 N -5.34 2.67 -0.72 0.00 0.00 -1.26 -5.04 107.32 97.64 2kwb s GLY 46 Ca -0.15 -3.43 -0.23 0.00 0.00 0.00 0.00 44.72 40.92 2kwb s GLY 46 CO 0.80 1.13 1.05 -0.56 0.00 0.00 0.00 173.10 175.52 2kwb s SER 47 N 0.49 6.24 0.10 1.64 0.01 -1.26 -5.03 113.70 115.89 2kwb s SER 47 Ca 0.20 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 2kwb s SER 47 Cb -0.16 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2kwb s SER 47 CO -0.06 -1.45 0.28 0.54 0.41 0.00 0.00 173.24 172.96 2kwb s ASN 48 N 3.74 6.41 0.28 2.44 4.22 -1.26 -5.05 114.94 125.73 2kwb s ASN 48 Ca 0.26 0.39 -0.29 0.00 -2.14 0.00 0.00 52.86 51.08 2kwb s ASN 48 Cb -0.14 -2.01 -0.10 0.00 1.28 0.00 0.00 41.25 40.28 2kwb s ASN 48 CO 0.08 0.11 1.34 -2.16 -2.04 0.00 0.00 177.10 174.42 2kwb s PRO 49 N -2.62 4.35 0.07 3.55 0.04 -1.26 -4.96 135.00 134.16 2kwb s PRO 49 Ca 0.37 2.20 -0.31 0.00 0.04 0.00 0.00 61.00 63.31 2kwb s PRO 49 Cb -0.13 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2kwb s PRO 49 CO 0.27 -0.25 1.75 -1.12 0.04 0.00 0.00 177.00 177.69 2kwb s SER 50 N -0.12 6.53 -0.12 6.66 0.01 -1.26 -4.91 113.70 120.49 2kwb s SER 50 Ca 0.53 2.58 -0.06 0.00 1.31 0.00 0.00 55.95 60.31 2kwb s SER 50 Cb -0.39 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.23 2kwb s SER 50 CO 0.47 -0.95 -0.15 0.00 0.41 0.00 0.00 173.24 173.02 2kwb n ALA 51 N 5.97 2.22 -3.23 1.44 0.00 -1.26 -5.03 120.51 120.62 2kwb n ALA 51 Ca 0.17 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2kwb n ALA 51 Cb 0.40 0.34 0.05 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.51 -5.99 -0.04 0.00 1.02 -1.26 -4.95 120.64 105.91 2kwb n GLU 52 Ca -0.23 0.89 -0.01 0.00 -0.02 0.00 0.00 57.16 57.78 2kwb n GLU 52 Cb 0.67 -5.82 -0.00 0.00 -0.02 0.00 0.00 31.44 26.26 2kwb n GLU 52 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kwb h GLU 53 N -1.86 0.00 0.00 3.49 4.22 -1.96 -3.47 114.58 115.01 2kwb h GLU 53 Ca -0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.89 2kwb h GLU 53 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2kwb h GLU 53 CO 0.57 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.81 2kwb n GLY 54 N 1.81 1.83 0.00 1.92 0.00 -1.26 -5.01 105.19 104.47 2kwb n GLY 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 55 N -3.00 0.00 -0.88 4.61 0.00 -1.26 -4.90 120.51 115.08 2kwb n ALA 55 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kwb n ALA 55 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2kwb n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 56 N -0.35 -1.78 -4.58 0.00 1.02 -1.26 -4.86 120.64 108.83 2kwb n GLU 56 Ca 0.00 0.47 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 2kwb n GLU 56 Cb 0.00 -4.41 -0.08 0.00 -0.02 0.00 0.00 31.44 26.93 2kwb n GLU 56 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kwb s ASP 57 N -1.56 3.15 -0.61 1.62 2.15 -1.26 -4.87 116.67 115.28 2kwb s ASP 57 Ca 0.00 -1.64 -0.02 0.00 0.43 0.00 0.00 52.55 51.32 2kwb s ASP 57 Cb 0.00 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 2kwb s ASP 57 CO 0.00 -0.88 0.56 -0.67 -0.17 0.00 0.00 175.17 174.01 2kwb n ASP 58 N -1.25 -5.75 -3.13 -0.34 2.03 -1.26 -5.04 116.55 101.81 2kwb n ASP 58 Ca -0.09 -0.23 -0.20 0.00 0.52 0.00 0.00 54.79 54.79 2kwb n ASP 58 Cb 0.66 -3.95 -0.05 0.00 -0.72 0.00 0.00 41.12 37.06 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 59 N -1.45 1.66 1.35 0.27 0.00 -1.26 -5.02 105.19 100.75 2kwb n GLY 59 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwb n SER 60 N 2.18 3.38 0.00 1.61 3.41 -1.26 -4.80 113.62 118.14 2kwb n SER 60 Ca 0.22 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 2kwb n SER 60 Cb 0.53 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2kwb n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwb n ASP 61 N 1.19 0.00 -2.93 4.04 8.00 -1.26 -4.29 116.55 121.30 2kwb n ASP 61 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2kwb n ASP 61 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.53 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwb n GLU 62 N 0.00 -4.88 -1.39 -1.24 1.02 -1.26 -1.56 120.64 111.33 2kwb n GLU 62 Ca 0.00 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 2kwb n GLU 62 Cb 0.00 -5.67 -0.05 0.00 -0.02 0.00 0.00 31.44 25.70 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 -4.50 -0.02 -2.82 -0.32 8.25 -1.26 -5.01 115.22 109.55 2kwb n HIS 63 Ca -0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 2kwb n HIS 63 Cb 0.61 -2.31 -0.04 0.00 1.12 0.00 0.00 29.99 29.37 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 -2.47 4.72 -1.13 1.59 1.01 -0.60 -4.96 120.40 118.56 2kwb s VAL 64 Ca 0.00 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.70 2kwb s VAL 64 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2kwb s VAL 64 CO 0.00 0.28 2.12 -0.62 0.00 0.00 0.00 175.10 176.88 2kwb n GLU 65 N 3.22 2.24 -3.16 2.72 1.02 -0.54 -4.92 120.64 121.22 2kwb n GLU 65 Ca 0.02 -2.17 -0.39 0.00 -0.02 0.00 0.00 57.16 54.59 2kwb n GLU 65 Cb 0.50 -3.05 -0.05 0.00 -0.02 0.00 0.00 31.44 28.82 2kwb n GLU 65 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kwb s ARG 66 N 3.97 4.37 0.00 3.49 3.52 -1.26 -0.93 118.95 132.11 2kwb s ARG 66 Ca 0.52 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 2kwb s ARG 66 Cb 0.14 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2kwb s ARG 66 CO 0.01 0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 2kwb n GLY 67 N 2.77 -0.44 3.57 8.12 0.00 -1.02 -5.03 105.19 113.16 2kwb n GLY 67 Ca -0.05 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.46 3.58 0.45 -0.61 -4.36 -1.26 -2.54 121.20 115.00 2kwb s ILE 68 Ca 0.00 -0.62 0.28 0.00 -0.26 0.00 0.00 60.65 60.05 2kwb s ILE 68 Cb 0.00 -2.49 0.48 0.00 1.25 0.00 0.00 42.46 41.70 2kwb s ILE 68 CO 0.00 0.53 1.72 -0.78 0.24 0.00 0.00 174.94 176.64 2kwb h ASP 69 N 5.01 0.25 -0.13 4.36 3.58 -1.78 -1.99 116.42 125.72 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 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.21 2kwb h ASP 69 CO 0.52 -0.03 -0.42 0.40 -2.88 0.00 0.00 179.24 176.84 2kwb h ILE 70 N 0.18 0.00 0.01 2.25 2.04 -1.88 0.13 117.51 120.24 2kwb h ILE 70 Ca 0.68 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 66.35 2kwb h ILE 70 Cb 2.17 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2kwb h ILE 70 CO -0.25 0.00 -0.90 -0.37 0.00 0.00 0.00 178.15 176.63 2kwb h VAL 71 N -0.43 1.58 -0.10 1.67 -1.51 -1.77 -2.34 116.25 113.35 2kwb h VAL 71 Ca 0.03 -2.89 -0.22 0.00 -1.23 0.00 0.00 66.70 62.38 2kwb h VAL 71 Cb 0.51 2.59 0.01 0.00 -2.13 0.00 0.00 31.29 32.27 2kwb h VAL 71 CO -0.35 0.83 -0.83 -0.07 -1.23 0.00 0.00 177.57 175.92 2kwb h LEU 72 N 0.04 0.82 0.00 4.19 3.38 -1.31 0.11 115.31 122.53 2kwb h LEU 72 Ca -0.03 -0.57 -0.15 0.00 0.09 0.00 0.00 57.88 57.23 2kwb h LEU 72 Cb 1.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2kwb h LEU 72 CO 0.13 1.35 -0.94 -1.13 0.09 0.00 0.00 178.44 177.94 2kwb h ASN 73 N 0.44 0.00 0.01 -0.43 -1.24 -0.81 -3.22 115.58 110.32 2kwb h ASN 73 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2kwb h ASN 73 Cb 1.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.50 2kwb h ASN 73 CO 0.16 0.62 -0.09 1.57 -1.29 0.00 0.00 177.43 178.40 2kwb n HIS 74 N -3.12 0.00 -3.42 0.67 -0.00 -0.88 -5.01 115.22 103.45 2kwb n HIS 74 Ca -0.03 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.01 2kwb n HIS 74 Cb 0.81 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.67 2kwb n HIS 74 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2kwb n LYS 75 N 0.55 -1.50 -4.12 1.57 3.00 0.23 -5.02 118.16 112.87 2kwb n LYS 75 Ca 0.15 1.17 -0.31 0.00 -0.00 0.00 0.00 58.31 59.32 2kwb n LYS 75 Cb 0.47 -3.91 -0.07 0.00 0.00 0.00 0.00 35.03 31.51 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kwb s LEU 76 N -4.33 3.62 0.08 3.14 1.43 -0.35 -4.81 118.68 117.46 2kwb s LEU 76 Ca 0.03 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2kwb s LEU 76 Cb -0.01 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 2kwb s LEU 76 CO 0.83 0.20 0.51 0.54 0.23 0.00 0.00 176.35 178.65 2kwb s VAL 77 N -1.30 4.89 0.31 -1.59 0.11 -1.01 -4.89 120.40 116.92 2kwb s VAL 77 Ca 0.26 0.91 -0.27 0.00 -2.93 0.00 0.00 61.98 59.95 2kwb s VAL 77 Cb -0.12 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 30.87 2kwb s VAL 77 CO 0.18 0.42 0.96 -1.83 -3.33 0.00 0.00 175.10 171.50 2kwb s GLU 78 N -1.50 4.61 0.04 1.54 -1.05 -1.26 -2.35 118.70 118.73 2kwb s GLU 78 Ca 0.31 1.41 -0.00 0.00 -0.15 0.00 0.00 54.97 56.54 2kwb s GLU 78 Cb -0.17 -2.90 -0.03 0.00 -0.44 0.00 0.00 34.13 30.59 2kwb s GLU 78 CO 0.18 0.28 -0.04 -1.64 0.95 0.00 0.00 175.26 175.00 2kwb s MET 79 N -1.87 0.50 -0.04 -4.83 -1.94 0.17 -4.96 119.30 106.33 2kwb s MET 79 Ca 0.49 -0.96 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 2kwb s MET 79 Cb -0.21 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.75 2kwb s MET 79 CO 0.27 -0.07 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.32 2kwb s ASN 80 N -2.27 1.30 0.28 3.03 0.02 -1.26 -2.44 114.94 113.61 2kwb s ASN 80 Ca -0.03 -0.20 0.01 0.00 -1.02 0.00 0.00 52.86 51.62 2kwb s ASN 80 Cb -0.00 -0.47 0.69 0.00 0.02 0.00 0.00 41.25 41.48 2kwb s ASN 80 CO -0.05 0.03 1.43 0.00 0.02 0.00 0.00 177.10 178.53 2kwb h TYR 82 N 0.00 0.56 0.08 0.00 -0.00 -1.97 0.84 116.97 116.48 2kwb h TYR 82 Ca 0.55 0.02 -0.35 0.00 -0.00 0.00 0.00 58.73 58.94 2kwb h TYR 82 Cb 1.12 -0.18 -0.03 0.00 -0.00 0.00 0.00 36.73 37.64 2kwb h TYR 82 CO -0.48 0.25 -2.01 -1.91 -0.00 0.00 0.00 178.16 174.01 2kwb n GLU 83 N -4.49 0.72 0.00 0.10 2.13 0.15 -4.03 120.64 115.23 2kwb n GLU 83 Ca 0.12 0.25 0.09 0.00 0.66 0.00 0.00 57.16 58.28 2kwb n GLU 83 Cb 0.40 -1.70 0.45 0.00 0.27 0.00 0.00 31.44 30.87 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 -3.35 0.00 -0.28 4.31 9.92 -0.83 -4.25 116.55 122.07 2kwb n ASP 84 Ca -0.31 0.09 -0.07 0.00 -0.53 0.00 0.00 54.79 53.97 2kwb n ASP 84 Cb 1.05 -0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 41.14 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwb n ALA 85 N -1.32 -0.42 -0.08 2.24 0.00 0.25 -0.12 120.51 121.06 2kwb n ALA 85 Ca 0.08 0.56 0.02 0.00 0.00 0.00 0.00 53.44 54.11 2kwb n ALA 85 Cb 0.16 0.07 0.35 0.00 0.00 0.00 0.00 19.45 20.02 2kwb n ALA 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kwb h SER 86 N 0.00 0.61 0.34 0.00 0.02 -1.89 -2.79 113.55 109.85 2kwb h SER 86 Ca 0.11 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2kwb h SER 86 Cb 0.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2kwb h SER 86 CO -0.62 0.46 -0.16 0.24 -1.14 0.00 0.00 176.83 175.60 2kwb h MET 87 N 0.72 -0.44 0.00 3.45 2.07 -0.78 -2.66 114.93 117.29 2kwb h MET 87 Ca 0.19 0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.80 2kwb h MET 87 Cb -0.05 0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 2kwb h MET 87 CO -0.04 -0.13 -0.26 0.27 1.07 0.00 0.00 176.91 177.83 2kwb h PHE 88 N -0.94 0.00 -0.04 -0.22 -5.15 -0.60 0.14 116.94 110.13 2kwb h PHE 88 Ca -0.05 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.55 2kwb h PHE 88 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.68 2kwb h PHE 88 CO 0.03 0.26 -0.74 1.57 -2.00 0.00 0.00 178.31 177.44 2kwb h LYS 89 N 0.00 0.23 -0.34 6.09 2.10 -1.56 -0.11 116.57 122.98 2kwb h LYS 89 Ca -0.00 -0.20 -0.16 0.00 -2.00 0.00 0.00 60.65 58.29 2kwb h LYS 89 Cb 0.63 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2kwb h LYS 89 CO 0.03 0.87 -0.40 0.00 -2.00 0.00 0.00 179.45 177.95 2kwb h ALA 90 N 1.08 0.51 0.08 0.07 0.00 -1.04 -2.50 119.26 117.45 2kwb h ALA 90 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2kwb h ALA 90 Cb 1.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2kwb h ALA 90 CO 0.11 0.63 -0.34 -0.92 0.00 0.00 0.00 179.25 178.73 2kwb h TYR 91 N 0.68 -0.95 -0.36 0.00 5.03 -0.59 -1.38 116.97 119.40 2kwb h TYR 91 Ca 0.05 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 2kwb h TYR 91 Cb 1.00 0.41 -0.02 0.00 1.55 0.00 0.00 36.73 39.67 2kwb h TYR 91 CO 0.07 -0.44 0.05 0.97 -1.32 0.00 0.00 178.16 177.49 2kwb h ILE 92 N -0.54 1.18 0.48 1.81 6.09 -1.07 -0.14 117.51 125.31 2kwb h ILE 92 Ca 0.04 -0.68 -0.02 0.00 -1.37 0.00 0.00 64.86 62.82 2kwb h ILE 92 Cb 0.59 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.75 2kwb h ILE 92 CO -0.23 0.24 -0.23 0.50 -3.07 0.00 0.00 178.15 175.36 2kwb h LYS 93 N 0.52 -0.62 -0.74 2.19 3.64 -1.08 -0.20 116.57 120.29 2kwb h LYS 93 Ca 0.12 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2kwb h LYS 93 Cb 0.26 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2kwb h LYS 93 CO 0.00 -0.33 0.43 0.87 -2.27 0.00 0.00 179.45 178.15 2kwb h LYS 94 N -0.81 1.01 0.09 1.90 1.79 -1.18 -1.49 116.57 117.86 2kwb h LYS 94 Ca -0.07 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2kwb h LYS 94 Cb 0.57 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 2kwb h LYS 94 CO 0.11 0.73 -0.42 0.35 -1.08 0.00 0.00 179.45 179.13 2kwb h PHE 95 N 1.01 -1.18 -0.00 -1.35 3.57 -0.97 -0.65 116.94 117.36 2kwb h PHE 95 Ca 0.26 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.82 2kwb h PHE 95 Cb -0.01 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2kwb h PHE 95 CO -0.01 -0.51 -0.19 0.52 -2.23 0.00 0.00 178.31 175.89 2kwb h MET 96 N -0.63 -0.30 -0.26 1.11 2.86 -0.84 -1.14 114.93 115.74 2kwb h MET 96 Ca 0.03 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 2kwb h MET 96 Cb 0.67 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 2kwb h MET 96 CO -0.26 -0.20 -0.10 -0.22 1.06 0.00 0.00 176.91 177.19 2kwb h LYS 97 N -0.31 -0.05 0.55 1.72 3.64 -1.14 -0.64 116.57 120.33 2kwb h LYS 97 Ca 0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2kwb h LYS 97 Cb 0.39 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2kwb h LYS 97 CO -0.18 -0.03 -0.26 -0.97 -2.27 0.00 0.00 179.45 175.73 2kwb h ASN 98 N -0.05 -0.62 -0.78 4.20 -0.73 -0.93 -1.13 115.58 115.55 2kwb h ASN 98 Ca 0.13 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 2kwb h ASN 98 Cb 0.25 0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 2kwb h ASN 98 CO -0.29 -0.31 0.28 -0.37 -0.37 0.00 0.00 177.43 176.37 2kwb h VAL 99 N -0.94 1.26 -0.19 2.57 -1.51 -1.17 -0.68 116.25 115.59 2kwb h VAL 99 Ca -0.08 -0.86 -0.08 0.00 -1.23 0.00 0.00 66.70 64.45 2kwb h VAL 99 Cb 0.63 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.15 2kwb h VAL 99 CO 0.12 0.35 -0.20 0.40 -1.23 0.00 0.00 177.57 177.01 2kwb h ILE 100 N 1.14 1.33 -0.60 7.19 1.08 -1.16 0.09 117.51 126.58 2kwb h ILE 100 Ca 0.26 -1.37 -0.04 0.00 -0.39 0.00 0.00 64.86 63.31 2kwb h ILE 100 Cb 0.26 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 2kwb h ILE 100 CO -0.02 0.42 0.21 -0.78 -0.69 0.00 0.00 178.15 177.29 2kwb h ASP 101 N 0.14 0.85 -0.02 1.72 3.58 -1.07 0.96 116.42 122.58 2kwb h ASP 101 Ca 0.03 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2kwb h ASP 101 Cb 0.75 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 2kwb h ASP 101 CO 0.05 0.81 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.47 2kwb h HIS 102 N 0.84 0.05 -0.03 0.28 2.76 -1.15 -3.15 115.15 114.75 2kwb h HIS 102 Ca 0.20 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 2kwb h HIS 102 Cb 0.24 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 2kwb h HIS 102 CO 0.01 0.45 -0.00 1.98 -1.30 0.00 0.00 177.93 179.07 2kwb h MET 103 N -0.36 0.05 0.00 5.26 1.85 -0.88 -2.78 114.93 118.07 2kwb h MET 103 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2kwb h MET 103 Cb 0.44 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.46 2kwb h MET 103 CO 0.00 0.36 0.00 -1.91 -0.40 0.00 0.00 176.91 174.96 2kwb n GLU 104 N -4.90 0.05 -0.04 0.39 2.13 0.32 0.70 120.64 119.30 2kwb n GLU 104 Ca -0.07 0.52 -0.13 0.00 0.66 0.00 0.00 57.16 58.14 2kwb n GLU 104 Cb 0.19 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.15 2kwb n GLU 104 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2kwb h LYS 105 N 0.00 0.20 0.00 5.31 1.63 -1.44 -2.70 116.57 119.57 2kwb h LYS 105 Ca 0.00 -0.09 -0.24 0.00 -0.85 0.00 0.00 60.65 59.47 2kwb h LYS 105 Cb 0.04 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2kwb h LYS 105 CO 0.00 0.57 -1.90 0.27 -3.45 0.00 0.00 179.45 174.94 2kwb n ASN 106 N -4.73 2.40 -0.80 4.20 6.94 -0.82 -4.37 115.26 118.08 2kwb n ASN 106 Ca -0.07 -0.05 0.02 0.00 -0.02 0.00 0.00 54.58 54.46 2kwb n ASN 106 Cb 0.27 0.17 0.10 0.00 -2.36 0.00 0.00 39.78 37.96 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kwb n ASN 107 N -2.77 2.06 -0.29 0.53 4.13 0.22 -4.62 115.26 114.52 2kwb n ASN 107 Ca -0.25 -2.21 0.22 0.00 1.68 0.00 0.00 54.58 54.02 2kwb n ASN 107 Cb 0.85 -0.52 0.34 0.00 -1.54 0.00 0.00 39.78 38.91 2kwb n ASN 107 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2kwb n ARG 108 N 0.14 -0.00 -1.66 3.52 1.85 -1.02 -3.65 116.66 115.85 2kwb n ARG 108 Ca 0.07 0.47 -0.54 0.00 -1.00 0.00 0.00 57.85 56.85 2kwb n ARG 108 Cb 0.46 -1.06 -0.07 0.00 -1.05 0.00 0.00 32.46 30.74 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kwb n ASP 109 N -2.92 2.62 0.28 2.89 8.00 -1.26 -4.81 116.55 121.35 2kwb n ASP 109 Ca 0.19 0.93 0.18 0.00 0.71 0.00 0.00 54.79 56.80 2kwb n ASP 109 Cb 0.83 -1.22 0.95 0.00 -0.02 0.00 0.00 41.12 41.66 2kwb n ASP 109 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kwb h LYS 110 N 8.66 0.00 0.02 -1.24 1.57 -2.00 0.34 116.57 123.93 2kwb h LYS 110 Ca -0.43 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.13 2kwb h LYS 110 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2kwb h LYS 110 CO 0.97 0.00 -1.00 0.00 -0.57 0.00 0.00 179.45 178.85 2kwb h ALA 111 N 1.73 0.38 0.11 3.86 0.00 -1.91 -3.03 119.26 120.40 2kwb h ALA 111 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 2kwb h ALA 111 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kwb h ALA 111 CO -0.00 1.14 -0.05 0.22 0.00 0.00 0.00 179.25 180.55 2kwb h ASP 112 N 0.02 -0.13 0.25 0.00 1.82 -0.60 -3.20 116.42 114.59 2kwb h ASP 112 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 2kwb h ASP 112 Cb 1.72 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.76 2kwb h ASP 112 CO 0.14 0.24 -0.07 -0.37 -1.61 0.00 0.00 179.24 177.57 2kwb h VAL 113 N -0.82 0.48 -0.18 2.25 -1.51 -1.40 -1.75 116.25 113.32 2kwb h VAL 113 Ca -0.02 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 2kwb h VAL 113 Cb 0.11 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 2kwb h VAL 113 CO 0.02 0.07 0.09 -0.78 -1.23 0.00 0.00 177.57 175.74 2kwb h ASP 114 N 0.00 0.23 -0.78 4.19 3.58 -1.66 -0.90 116.42 121.08 2kwb h ASP 114 Ca -0.00 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.34 2kwb h ASP 114 Cb 0.22 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2kwb h ASP 114 CO 0.01 0.29 0.51 0.00 -2.88 0.00 0.00 179.24 177.17 2kwb h ALA 115 N 0.95 0.99 0.42 -0.78 0.00 -1.32 0.12 119.26 119.64 2kwb h ALA 115 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kwb h ALA 115 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kwb h ALA 115 CO -0.01 0.39 -0.20 0.35 0.00 0.00 0.00 179.25 179.78 2kwb h PHE 116 N 1.04 -0.52 -0.82 0.00 3.57 -1.40 0.21 116.94 119.02 2kwb h PHE 116 Ca 0.29 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.86 2kwb h PHE 116 Cb -0.10 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 2kwb h PHE 116 CO -0.02 -0.22 0.48 -0.22 -2.23 0.00 0.00 178.31 176.10 2kwb h LYS 117 N -0.77 0.79 -0.00 1.11 3.64 -1.03 -0.31 116.57 120.00 2kwb h LYS 117 Ca -0.06 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 2kwb h LYS 117 Cb 0.53 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2kwb h LYS 117 CO 0.09 0.53 -0.57 -0.22 -2.27 0.00 0.00 179.45 177.01 2kwb h LYS 118 N 0.82 0.01 -0.62 1.90 3.64 -0.72 0.32 116.57 121.92 2kwb h LYS 118 Ca 0.39 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 2kwb h LYS 118 Cb 0.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2kwb h LYS 118 CO -0.23 0.57 0.18 -0.22 -2.27 0.00 0.00 179.45 177.48 2kwb h LYS 119 N 0.01 0.97 -0.52 1.90 1.63 0.70 -0.96 116.57 120.30 2kwb h LYS 119 Ca -0.01 -0.22 -0.07 0.00 -0.85 0.00 0.00 60.65 59.50 2kwb h LYS 119 Cb 1.01 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 2kwb h LYS 119 CO 0.07 0.87 0.04 0.82 -3.45 0.00 0.00 179.45 177.81 2kwb h ILE 120 N 0.89 1.26 -0.06 2.00 1.08 -0.77 -2.45 117.51 119.46 2kwb h ILE 120 Ca 0.20 -1.02 0.03 0.00 -0.39 0.00 0.00 64.86 63.68 2kwb h ILE 120 Cb 0.32 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2kwb h ILE 120 CO -0.00 0.36 -0.14 1.56 -0.69 0.00 0.00 178.15 179.24 2kwb h GLN 121 N 0.76 -0.20 -0.79 2.37 1.08 -0.63 0.19 115.11 117.89 2kwb h GLN 121 Ca 0.15 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.46 2kwb h GLN 121 Cb 0.46 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.87 2kwb h GLN 121 CO 0.02 -0.13 0.44 0.78 -0.95 0.00 0.00 178.83 178.99 2kwb h GLY 122 N -0.20 1.21 1.00 3.46 0.00 -1.18 0.09 103.07 107.45 2kwb h GLY 122 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2kwb h GLY 122 CO -0.18 0.12 -0.27 -0.25 0.00 0.00 0.00 176.54 175.96 2kwb h TRP 123 N 0.75 -0.71 -0.45 5.60 7.01 -0.87 -2.56 115.95 124.72 2kwb h TRP 123 Ca 0.38 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.28 2kwb h TRP 123 Cb 0.35 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2kwb h TRP 123 CO -0.07 -0.44 -0.07 -0.39 -2.79 0.00 0.00 178.44 174.69 2kwb h VAL 124 N -0.76 1.27 -0.58 2.65 -1.51 -0.44 -0.45 116.25 116.43 2kwb h VAL 124 Ca -0.08 -1.16 0.06 0.00 -1.23 0.00 0.00 66.70 64.30 2kwb h VAL 124 Cb 0.58 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.82 2kwb h VAL 124 CO 0.12 0.40 0.39 0.58 -1.23 0.00 0.00 177.57 177.83 2kwb h VAL 125 N 0.67 0.99 0.00 7.19 2.07 -1.01 0.29 116.25 126.46 2kwb h VAL 125 Ca 0.12 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 67.25 2kwb h VAL 125 Cb 0.59 0.39 0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2kwb h VAL 125 CO 0.04 0.10 -0.76 -1.28 0.02 0.00 0.00 177.57 175.68 2kwb h SER 126 N 0.55 0.67 0.82 0.57 0.87 -1.19 -3.34 113.55 112.50 2kwb h SER 126 Ca 0.25 -0.76 -0.14 0.00 -1.23 0.00 0.00 61.79 59.91 2kwb h SER 126 Cb 0.29 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2kwb h SER 126 CO -0.07 1.34 -0.68 0.25 -0.53 0.00 0.00 176.83 177.14 2kwb h LEU 127 N 0.07 0.00 -0.88 2.23 5.85 -0.26 -3.14 115.31 119.18 2kwb h LEU 127 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kwb h LEU 127 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2kwb h LEU 127 CO 0.15 0.68 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 2kwb n LEU 128 N -3.60 1.34 -4.56 2.25 4.77 0.96 -4.80 117.00 113.36 2kwb n LEU 128 Ca -0.00 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.21 2kwb n LEU 128 Cb 0.70 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2kwb n LEU 128 CO 0.43 0.26 1.60 0.00 -1.33 0.00 0.00 177.39 178.35 2kwb s ALA 129 N -1.89 1.14 0.05 -1.18 0.00 -1.19 -4.79 121.76 113.90 2kwb s ALA 129 Ca 0.35 -0.42 0.30 0.00 0.00 0.00 0.00 51.96 52.19 2kwb s ALA 129 Cb 0.18 -4.47 1.54 0.00 0.00 0.00 0.00 23.12 20.38 2kwb s ALA 129 CO 0.29 -5.22 1.91 1.57 0.00 0.00 0.00 175.76 174.31 2kwb h LYS 130 N 16.00 0.00 -0.22 0.00 -0.00 -1.93 -0.98 116.57 129.45 2kwb h LYS 130 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.49 2kwb h LYS 130 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.35 2kwb h LYS 130 CO 1.08 0.00 -0.05 -0.44 -0.00 0.00 0.00 179.45 180.04 2kwb h ASP 131 N 0.00 0.42 0.00 7.07 5.19 -1.99 -3.23 116.42 123.87 2kwb h ASP 131 Ca 0.00 -0.36 -0.29 0.00 -0.62 0.00 0.00 57.03 55.76 2kwb h ASP 131 Cb 0.11 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 2kwb h ASP 131 CO 0.00 0.68 -1.98 0.54 -3.12 0.00 0.00 179.24 175.37 2kwb n ARG 132 N -4.60 0.38 0.00 3.56 1.74 -1.12 -4.65 116.66 111.97 2kwb n ARG 132 Ca -0.04 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 2kwb n ARG 132 Cb 0.28 -1.16 0.29 0.00 -1.02 0.00 0.00 32.46 30.86 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 -3.67 0.00 0.09 -1.55 3.01 -0.39 -2.02 117.46 112.93 2kwb n PHE 133 Ca -0.34 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.32 2kwb n PHE 133 Cb 0.76 -0.32 0.75 0.00 -0.01 0.00 0.00 39.48 40.65 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 -1.06 -1.08 3.64 -1.69 -2.03 116.57 114.36 2kwb h LYS 134 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 2kwb h LYS 134 Cb 0.13 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.69 2kwb h LYS 134 CO 0.00 0.00 0.64 0.09 -2.27 0.00 0.00 179.45 177.91 2kwb n ASN 135 N -3.75 5.16 -4.87 4.20 5.03 -0.86 -4.93 115.26 115.24 2kwb n ASN 135 Ca 0.07 -3.47 -0.32 0.00 0.87 0.00 0.00 54.58 51.74 2kwb n ASN 135 Cb 0.61 -0.88 -0.05 0.00 -1.02 0.00 0.00 39.78 38.45 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 -3.02 4.05 -0.12 3.41 1.43 -0.77 -5.01 118.68 118.66 2kwb s LEU 136 Ca 0.52 1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2kwb s LEU 136 Cb 0.42 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2kwb s LEU 136 CO 0.05 -0.20 -0.03 0.00 0.23 0.00 0.00 176.35 176.40 2kwb s ALA 137 N -2.01 3.07 -0.12 4.21 0.00 -1.11 -4.74 121.76 121.06 2kwb s ALA 137 Ca 0.51 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2kwb s ALA 137 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2kwb s ALA 137 CO 0.22 0.39 -0.05 -0.06 0.00 0.00 0.00 175.76 176.25 2kwb s PHE 138 N -0.20 2.99 -0.02 0.00 0.08 -1.02 0.11 117.98 119.93 2kwb s PHE 138 Ca 0.04 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.93 2kwb s PHE 138 Cb -0.13 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 2kwb s PHE 138 CO 0.02 0.09 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.04 2kwb s PHE 139 N -0.06 1.25 0.05 0.36 0.40 -0.22 0.44 117.98 120.20 2kwb s PHE 139 Ca 0.01 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2kwb s PHE 139 Cb -0.13 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 2kwb s PHE 139 CO 0.03 -0.05 0.01 -1.50 0.70 0.00 0.00 175.22 174.41 2kwb s ILE 140 N -0.21 0.19 0.33 0.64 2.07 -0.99 0.22 121.20 123.46 2kwb s ILE 140 Ca 0.03 -1.59 -0.29 0.00 -1.41 0.00 0.00 60.65 57.39 2kwb s ILE 140 Cb -0.06 -1.35 -0.12 0.00 0.13 0.00 0.00 42.46 41.06 2kwb s ILE 140 CO -0.00 -0.88 1.50 0.61 -1.91 0.00 0.00 174.94 174.26 2kwb n GLY 141 N 0.25 1.16 0.31 1.50 0.00 -1.26 -2.40 105.19 104.74 2kwb n GLY 141 Ca -0.15 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 3.70 0.84 -0.06 1.61 -0.00 -1.95 0.30 114.58 119.02 2kwb h GLU 142 Ca -0.48 -0.14 -0.00 0.00 -0.00 0.00 0.00 59.36 58.73 2kwb h GLU 142 Cb 1.24 -0.14 -0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2kwb h GLU 142 CO 0.70 0.71 0.02 0.00 -0.00 0.00 0.00 179.01 180.45 2kwb h ARG 143 N 0.82 0.08 -0.18 1.06 2.47 -1.95 -0.92 114.38 115.76 2kwb h ARG 143 Ca 0.19 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.93 2kwb h ARG 143 Cb 0.21 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 2kwb h ARG 143 CO -0.01 0.23 -0.07 0.00 0.56 0.00 0.00 179.97 180.68 2kwb h ALA 144 N 0.85 0.09 -0.31 0.04 0.00 -1.78 -1.17 119.26 116.98 2kwb h ALA 144 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2kwb h ALA 144 Cb 0.18 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kwb h ALA 144 CO -0.00 -0.50 0.22 0.00 0.00 0.00 0.00 179.25 178.96 2kwb h ALA 145 N 1.13 2.15 -0.60 0.00 0.00 -0.81 0.71 119.26 121.83 2kwb h ALA 145 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kwb h ALA 145 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kwb h ALA 145 CO -0.21 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.21 2kwb n GLU 146 N -4.47 3.62 0.00 0.00 1.02 -0.36 -4.76 120.64 115.69 2kwb n GLU 146 Ca 0.04 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 2kwb n GLU 146 Cb 0.31 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2kwb n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kwb n GLY 147 N 0.97 -0.14 3.22 0.62 0.00 -0.49 -5.02 105.19 104.35 2kwb n GLY 147 Ca 0.24 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.45 2.97 0.46 4.61 0.00 0.24 -4.96 121.76 123.62 2kwb s ALA 148 Ca 0.00 -1.83 0.29 0.00 0.00 0.00 0.00 51.96 50.41 2kwb s ALA 148 Cb 0.00 -2.17 1.59 0.00 0.00 0.00 0.00 23.12 22.54 2kwb s ALA 148 CO 0.00 -1.36 2.13 0.93 0.00 0.00 0.00 175.76 177.46 2kwb h GLU 149 N 8.13 0.00 -0.74 0.00 3.07 -1.93 -2.32 114.58 120.78 2kwb h GLU 149 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 2kwb h GLU 149 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2kwb h GLU 149 CO 0.59 0.08 0.00 0.09 -1.40 0.00 0.00 179.01 178.37 2kwb n ASN 150 N -3.66 3.86 -4.72 1.42 3.02 -1.26 -4.85 115.26 109.07 2kwb n ASN 150 Ca -0.02 -2.56 -0.30 0.00 -0.03 0.00 0.00 54.58 51.67 2kwb n ASN 150 Cb 0.19 -0.61 0.13 0.00 -0.61 0.00 0.00 39.78 38.88 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kwb s GLY 151 N -0.48 1.64 -0.53 7.41 0.00 -0.87 -4.45 107.32 110.04 2kwb s GLY 151 Ca 0.33 0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.89 2kwb s GLY 151 CO 0.10 0.56 1.92 1.62 0.00 0.00 0.00 173.10 177.29 2kwb s GLN 152 N -4.87 2.72 -0.73 2.90 0.74 -1.26 -4.93 119.66 114.22 2kwb s GLN 152 Ca 0.63 0.91 -0.26 0.00 0.05 0.00 0.00 55.36 56.68 2kwb s GLN 152 Cb -0.19 -4.37 0.03 0.00 1.10 0.00 0.00 33.01 29.59 2kwb s GLN 152 CO 0.57 -2.60 1.25 0.08 -0.55 0.00 0.00 175.29 174.04 2kwb s VAL 153 N 8.98 3.79 0.06 1.34 1.01 -1.26 -4.27 120.40 130.05 2kwb s VAL 153 Ca 0.74 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 2kwb s VAL 153 Cb -0.15 -4.89 -0.06 0.00 0.00 0.00 0.00 36.38 31.27 2kwb s VAL 153 CO 0.24 -1.82 1.22 0.00 0.00 0.00 0.00 175.10 174.74 2kwb s ALA 154 N 5.54 3.41 -0.21 5.51 0.00 0.13 -4.86 121.76 131.29 2kwb s ALA 154 Ca 0.34 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 2kwb s ALA 154 Cb -0.09 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2kwb s ALA 154 CO 0.14 -0.46 0.34 0.42 0.00 0.00 0.00 175.76 176.20 2kwb s ILE 155 N 1.12 5.24 -0.45 0.00 1.01 -1.03 -1.06 121.20 126.03 2kwb s ILE 155 Ca 0.59 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 2kwb s ILE 155 Cb -0.30 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.55 2kwb s ILE 155 CO 0.29 0.28 0.37 -0.63 0.00 0.00 0.00 174.94 175.25 2kwb s ILE 156 N 1.19 5.24 0.11 2.92 -1.09 0.12 -0.16 121.20 129.53 2kwb s ILE 156 Ca 0.17 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2kwb s ILE 156 Cb -0.14 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2kwb s ILE 156 CO 0.07 -0.49 0.24 -0.70 -1.23 0.00 0.00 174.94 172.82 2kwb s GLU 157 N 1.65 3.40 -0.26 2.79 2.56 -0.68 -2.74 118.70 125.42 2kwb s GLU 157 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 54.97 54.36 2kwb s GLU 157 Cb -0.23 -2.98 -0.05 0.00 2.00 0.00 0.00 34.13 32.88 2kwb s GLU 157 CO 0.08 0.56 0.17 1.52 -0.56 0.00 0.00 175.26 177.03 2kwb s TYR 158 N -1.63 3.25 0.07 5.30 1.13 -1.26 0.07 117.35 124.28 2kwb s TYR 158 Ca 0.34 0.14 0.01 0.00 -1.41 0.00 0.00 57.07 56.16 2kwb s TYR 158 Cb -0.12 -2.32 -0.03 0.00 -1.10 0.00 0.00 41.96 38.38 2kwb s TYR 158 CO 0.28 -0.07 -0.06 -0.98 -2.51 0.00 0.00 175.55 172.21 2kwb s ARG 159 N 1.44 0.67 -0.04 -3.49 1.04 -1.07 -4.99 118.95 112.51 2kwb s ARG 159 Ca 0.07 -1.10 -0.30 0.00 -1.04 0.00 0.00 55.73 53.37 2kwb s ARG 159 Cb -0.15 -0.13 -0.03 0.00 -2.04 0.00 0.00 34.95 32.60 2kwb s ARG 159 CO 0.08 -0.02 1.06 -0.51 -0.04 0.00 0.00 175.30 175.87 2kwb s ASP 160 N -2.49 7.23 -0.32 -2.89 1.01 -1.26 -2.22 116.67 115.74 2kwb s ASP 160 Ca 0.03 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.98 2kwb s ASP 160 Cb 0.00 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.47 2kwb s ASP 160 CO -0.04 -0.41 0.09 -0.69 0.21 0.00 0.00 175.17 174.33 2kwb s VAL 161 N 1.57 1.18 -1.73 -1.27 1.01 0.78 -4.85 120.40 117.08 2kwb s VAL 161 Ca 0.52 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2kwb s VAL 161 Cb -0.22 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2kwb s VAL 161 CO 0.24 -0.66 0.00 0.47 0.00 0.00 0.00 175.10 175.14 2kwb n ASP 162 N 4.71 -5.02 0.00 3.32 8.00 -1.26 -0.77 116.55 125.52 2kwb n ASP 162 Ca -0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2kwb n ASP 162 Cb 0.42 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 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 -0.65 2.69 3.88 0.44 0.00 -1.26 -5.08 105.19 105.20 2kwb n GLY 163 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2kwb n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kwb s THR 164 N -2.50 5.15 -0.25 2.61 -4.23 0.05 -4.95 115.64 111.52 2kwb s THR 164 Ca 0.00 -0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 2kwb s THR 164 Cb 0.00 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 2kwb s THR 164 CO 0.00 0.17 0.47 -1.83 -0.54 0.00 0.00 174.62 172.89 2kwb s GLU 165 N -2.37 4.09 -0.13 3.99 4.04 -1.26 -0.16 118.70 126.90 2kwb s GLU 165 Ca 0.32 0.26 0.02 0.00 0.04 0.00 0.00 54.97 55.61 2kwb s GLU 165 Cb -0.13 -3.62 0.00 0.00 0.02 0.00 0.00 34.13 30.40 2kwb s GLU 165 CO 0.25 -0.26 -0.20 0.14 -1.84 0.00 0.00 175.26 173.34 2kwb s VAL 166 N 2.02 2.26 -0.18 1.83 -7.23 -0.94 -4.94 120.40 113.23 2kwb s VAL 166 Ca 0.20 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 2kwb s VAL 166 Cb -0.15 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2kwb s VAL 166 CO 0.09 0.54 1.81 -2.84 -0.31 0.00 0.00 175.10 174.40 2kwb s PRO 167 N 0.64 3.69 0.06 4.82 0.02 -1.26 -2.60 135.00 140.37 2kwb s PRO 167 Ca -0.10 1.89 0.01 0.00 0.02 0.00 0.00 61.00 62.81 2kwb s PRO 167 Cb -0.16 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 2kwb s PRO 167 CO 0.02 -1.43 0.17 -0.08 -0.33 0.00 0.00 177.00 175.35 2kwb s THR 168 N 5.80 5.16 -0.02 0.99 -1.32 0.11 -3.65 115.64 122.71 2kwb s THR 168 Ca 0.81 -0.48 -0.30 0.00 -1.21 0.00 0.00 61.69 60.51 2kwb s THR 168 Cb -0.29 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.16 2kwb s THR 168 CO 0.33 0.15 1.04 -0.22 -2.21 0.00 0.00 174.62 173.70 2kwb s LEU 169 N -2.45 4.33 -0.17 9.08 2.96 -0.33 -1.68 118.68 130.42 2kwb s LEU 169 Ca 0.33 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 2kwb s LEU 169 Cb -0.13 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2kwb s LEU 169 CO 0.26 -0.37 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.44 2kwb s MET 170 N 1.37 3.12 0.05 1.98 -2.45 0.78 -2.12 119.30 122.03 2kwb s MET 170 Ca 0.53 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 54.19 2kwb s MET 170 Cb -0.22 -2.63 -0.03 0.00 1.25 0.00 0.00 34.83 33.20 2kwb s MET 170 CO 0.25 -0.11 -0.05 -0.51 1.05 0.00 0.00 175.02 175.65 2kwb s LEU 171 N 1.09 2.38 -0.16 4.11 1.43 -1.00 -2.45 118.68 124.07 2kwb s LEU 171 Ca -0.00 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 2kwb s LEU 171 Cb -0.14 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 2kwb s LEU 171 CO -0.06 -0.39 0.14 -0.69 0.23 0.00 0.00 176.35 175.58 2kwb s VAL 172 N -2.62 5.45 0.25 -1.59 1.01 -1.26 0.33 120.40 121.96 2kwb s VAL 172 Ca -0.01 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2kwb s VAL 172 Cb -0.01 -3.44 0.24 0.00 0.00 0.00 0.00 36.38 33.16 2kwb s VAL 172 CO -0.04 0.53 1.90 0.50 0.00 0.00 0.00 175.10 177.99 2kwb h LYS 173 N 5.85 1.26 -0.60 2.72 3.11 -1.27 -2.00 116.57 125.65 2kwb h LYS 173 Ca -0.48 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.25 2kwb h LYS 173 Cb 1.19 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2kwb h LYS 173 CO 0.67 0.87 0.00 -0.85 -2.81 0.00 0.00 179.45 177.34 2kwb n GLU 174 N -4.36 2.72 -0.08 1.90 0.00 -1.26 -3.96 120.64 115.60 2kwb n GLU 174 Ca 0.10 -2.13 -0.09 0.00 0.00 0.00 0.00 57.16 55.04 2kwb n GLU 174 Cb 0.05 -1.60 -0.11 0.00 0.00 0.00 0.00 31.44 29.79 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 0.99 1.62 -3.93 -1.84 0.00 -0.79 -4.79 120.51 111.77 2kwb n ALA 175 Ca 0.19 -0.92 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 2kwb n ALA 175 Cb 0.60 -0.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.87 2kwb n ALA 175 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2kwb s ILE 176 N -2.37 1.21 -0.15 0.00 2.07 -1.00 -1.71 121.20 119.25 2kwb s ILE 176 Ca -0.14 -0.55 -0.16 0.00 -1.41 0.00 0.00 60.65 58.39 2kwb s ILE 176 Cb 0.05 -1.28 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 2kwb s ILE 176 CO 0.54 0.27 0.38 -0.51 -1.91 0.00 0.00 174.94 173.71 2kwb s ILE 177 N 1.61 5.25 -0.21 2.00 1.10 -0.19 -4.71 121.20 126.05 2kwb s ILE 177 Ca 0.03 0.73 -0.17 0.00 -0.51 0.00 0.00 60.65 60.72 2kwb s ILE 177 Cb -0.14 -3.72 -0.03 0.00 0.15 0.00 0.00 42.46 38.72 2kwb s ILE 177 CO -0.08 0.35 0.47 -0.70 -2.11 0.00 0.00 174.94 172.86 2kwb s GLU 178 N 0.64 4.15 0.02 3.50 -6.30 -1.26 -1.39 118.70 118.07 2kwb s GLU 178 Ca 0.20 0.31 0.07 0.00 -2.50 0.00 0.00 54.97 53.05 2kwb s GLU 178 Cb -0.14 -3.57 -0.02 0.00 0.00 0.00 0.00 34.13 30.39 2kwb s GLU 178 CO 0.07 -0.16 -0.20 -1.21 0.02 0.00 0.00 175.26 173.78 2kwb s GLU 179 N 1.67 1.44 -0.42 4.30 2.02 -0.64 -5.04 118.70 122.02 2kwb s GLU 179 Ca 0.21 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.38 2kwb s GLU 179 Cb -0.15 -1.50 0.11 0.00 0.10 0.00 0.00 34.13 32.70 2kwb s GLU 179 CO 0.09 0.39 0.15 -1.59 0.02 0.00 0.00 175.26 174.32 2kwb s LYS 180 N -0.95 1.72 -0.54 1.61 -2.85 -1.26 -2.55 119.74 114.92 2kwb s LYS 180 Ca 0.07 -2.19 0.02 0.00 -1.00 0.00 0.00 55.97 52.88 2kwb s LYS 180 Cb -0.08 -3.28 0.14 0.00 -2.06 0.00 0.00 37.83 32.54 2kwb s LYS 180 CO 0.01 -1.02 0.30 0.00 0.10 0.00 0.00 175.35 174.74 2kwb s LEU 182 N -0.12 0.26 0.00 0.00 2.34 -1.26 -4.93 118.68 114.97 2kwb s LEU 182 Ca 0.16 -0.96 0.15 0.00 0.06 0.00 0.00 54.13 53.54 2kwb s LEU 182 Cb -0.24 2.02 0.12 0.00 -0.56 0.00 0.00 46.19 47.53 2kwb s LEU 182 CO -0.02 -1.25 0.96 1.21 -1.06 0.00 0.00 176.35 176.19