#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 4.24 -0.27 4.03 2.96 -0.24 -4.36 118.68 125.04 2kwb s LEU 2 Ca 0.00 1.77 -0.13 0.00 -0.22 0.00 0.00 54.13 55.55 2kwb s LEU 2 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2kwb s LEU 2 CO 0.00 -0.67 0.29 -0.63 -1.32 0.00 0.00 176.35 174.02 2kwb s ILE 3 N 2.79 5.24 -0.09 6.68 1.01 -1.04 0.60 121.20 136.39 2kwb s ILE 3 Ca 0.56 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 2kwb s ILE 3 Cb -0.24 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2kwb s ILE 3 CO 0.19 0.21 -0.02 -0.72 0.00 0.00 0.00 174.94 174.61 2kwb s TYR 4 N 1.82 3.10 -0.10 3.97 1.13 -0.33 0.26 117.35 127.20 2kwb s TYR 4 Ca 0.12 0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.90 2kwb s TYR 4 Cb -0.16 -1.78 0.02 0.00 -1.10 0.00 0.00 41.96 38.94 2kwb s TYR 4 CO 0.10 0.40 -0.08 0.21 -2.51 0.00 0.00 175.55 173.67 2kwb s LYS 5 N -0.78 1.46 0.86 -3.49 2.20 -0.70 -2.57 119.74 116.73 2kwb s LYS 5 Ca 0.12 -0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 55.35 2kwb s LYS 5 Cb -0.11 -1.48 0.13 0.00 -1.51 0.00 0.00 37.83 34.85 2kwb s LYS 5 CO 0.02 -0.21 1.22 0.34 -0.36 0.00 0.00 175.35 176.36 2kwb s ASP 6 N 1.51 3.97 -0.03 1.43 2.15 -1.26 0.22 116.67 124.66 2kwb s ASP 6 Ca 0.01 0.54 -0.22 0.00 0.43 0.00 0.00 52.55 53.30 2kwb s ASP 6 Cb -0.13 -0.86 -0.23 0.00 -0.30 0.00 0.00 42.92 41.40 2kwb s ASP 6 CO -0.06 -2.22 1.06 0.40 -0.17 0.00 0.00 175.17 174.19 2kwb h ILE 7 N -1.25 1.50 0.00 4.11 2.04 -1.80 -3.34 117.51 118.76 2kwb h ILE 7 Ca -0.45 -1.99 -0.23 0.00 1.00 0.00 0.00 64.86 63.19 2kwb h ILE 7 Cb 1.29 2.68 -0.04 0.00 -0.74 0.00 0.00 36.82 40.01 2kwb h ILE 7 CO 0.54 0.56 -1.86 0.49 0.00 0.00 0.00 178.15 177.88 2kwb n PHE 8 N -4.39 0.00 0.37 1.37 3.72 -1.26 -4.61 117.46 112.66 2kwb n PHE 8 Ca -0.10 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2kwb n PHE 8 Cb 0.57 -0.58 0.18 0.00 -0.94 0.00 0.00 39.48 38.71 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2kwb n THR 9 N -3.04 1.02 0.00 4.37 -1.04 -1.26 -4.58 114.28 109.76 2kwb n THR 9 Ca -0.27 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 2kwb n THR 9 Cb 0.77 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2kwb n THR 9 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kwb n ASP 10 N 0.38 0.00 0.31 8.00 5.75 -1.26 -1.51 116.55 128.22 2kwb n ASP 10 Ca 0.13 0.21 0.20 0.00 -0.01 0.00 0.00 54.79 55.32 2kwb n ASP 10 Cb 0.56 -0.21 1.01 0.00 -1.03 0.00 0.00 41.12 41.45 2kwb n ASP 10 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kwb h ASP 11 N 0.00 0.00 -0.24 -1.12 3.32 -1.92 0.75 116.42 117.21 2kwb h ASP 11 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2kwb h ASP 11 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2kwb h ASP 11 CO 0.00 0.00 0.07 -0.62 -1.72 0.00 0.00 179.24 176.97 2kwb n GLU 12 N -3.03 2.01 -1.48 3.56 1.02 -0.57 -4.91 120.64 117.24 2kwb n GLU 12 Ca -0.02 -1.04 -0.44 0.00 -0.02 0.00 0.00 57.16 55.65 2kwb n GLU 12 Cb 0.15 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.12 1.51 -4.09 -4.62 7.94 0.25 -4.90 117.00 113.21 2kwb n LEU 13 Ca 0.13 0.10 -0.16 0.00 -1.11 0.00 0.00 56.01 54.96 2kwb n LEU 13 Cb 0.68 -1.22 -0.12 0.00 0.53 0.00 0.00 43.42 43.28 2kwb n LEU 13 CO 0.14 -0.97 -0.43 -0.44 -1.11 0.00 0.00 177.39 174.58 2kwb s SER 14 N 9.15 1.18 -1.03 1.96 0.01 -1.06 -4.94 113.70 118.97 2kwb s SER 14 Ca 1.15 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 2kwb s SER 14 Cb -0.84 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 65.44 2kwb s SER 14 CO 0.44 -0.08 1.40 -0.94 0.41 0.00 0.00 173.24 174.46 2kwb s SER 15 N -1.31 6.58 0.79 2.44 1.04 -1.26 -1.18 113.70 120.79 2kwb s SER 15 Ca -0.04 -1.72 -0.03 0.00 0.48 0.00 0.00 55.95 54.64 2kwb s SER 15 Cb -0.08 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.67 2kwb s SER 15 CO 0.01 -1.35 1.08 -0.62 0.98 0.00 0.00 173.24 173.33 2kwb s ASP 16 N 4.54 3.98 0.00 7.02 2.15 0.20 -3.87 116.67 130.69 2kwb s ASP 16 Ca 0.43 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.06 2kwb s ASP 16 Cb -0.01 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 2kwb s ASP 16 CO -0.08 -2.13 0.73 -1.54 -0.17 0.00 0.00 175.17 171.98 2kwb n SER 17 N -3.05 -0.54 -4.87 -0.34 3.41 -1.26 0.69 113.62 107.66 2kwb n SER 17 Ca 0.16 -1.45 -0.32 0.00 -0.26 0.00 0.00 58.87 57.00 2kwb n SER 17 Cb 0.60 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 2kwb n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kwb s PHE 18 N 0.00 3.42 -0.85 7.33 0.40 -1.26 -4.98 117.98 122.04 2kwb s PHE 18 Ca 0.00 0.95 -0.23 0.00 -0.60 0.00 0.00 56.93 57.06 2kwb s PHE 18 Cb 0.00 -2.32 -0.15 0.00 0.51 0.00 0.00 43.02 41.06 2kwb s PHE 18 CO 0.00 0.23 1.91 -0.35 0.70 0.00 0.00 175.22 177.72 2kwb n PRO 19 N -0.16 1.48 -2.98 0.24 -0.04 -1.26 -4.91 135.00 127.36 2kwb n PRO 19 Ca 0.01 -1.98 -0.42 0.00 -0.04 0.00 0.00 63.50 61.07 2kwb n PRO 19 Cb 0.53 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.82 2kwb n PRO 19 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2kwb s MET 20 N 5.45 3.81 0.23 0.54 1.75 -1.26 -4.92 119.30 124.91 2kwb s MET 20 Ca 0.61 0.36 0.05 0.00 -1.25 0.00 0.00 55.69 55.46 2kwb s MET 20 Cb 0.10 -3.78 -0.03 0.00 2.84 0.00 0.00 34.83 33.96 2kwb s MET 20 CO 0.13 -0.78 0.28 0.15 -0.65 0.00 0.00 175.02 174.15 2kwb s LYS 21 N 2.99 3.22 -0.05 4.11 -0.14 -1.11 -4.96 119.74 123.80 2kwb s LYS 21 Ca 0.31 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 54.05 2kwb s LYS 21 Cb -0.14 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.21 2kwb s LYS 21 CO 0.15 0.43 0.06 -1.17 -0.76 0.00 0.00 175.35 174.06 2kwb s LEU 22 N -3.78 3.83 0.00 3.17 2.96 -1.26 -0.14 118.68 123.45 2kwb s LEU 22 Ca 0.33 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2kwb s LEU 22 Cb -0.09 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 2kwb s LEU 22 CO 0.27 0.33 -0.08 0.54 -1.32 0.00 0.00 176.35 176.10 2kwb s VAL 23 N -1.05 0.62 -1.75 1.68 0.11 0.11 -4.81 120.40 115.31 2kwb s VAL 23 Ca 0.18 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2kwb s VAL 23 Cb -0.12 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2kwb s VAL 23 CO 0.08 0.11 0.00 0.47 -3.33 0.00 0.00 175.10 172.43 2kwb n ASP 24 N 2.72 -4.84 0.00 3.54 8.00 -1.26 -2.15 116.55 122.56 2kwb n ASP 24 Ca -0.14 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2kwb n ASP 24 Cb 0.57 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kwb n ASP 25 N -1.35 -2.34 0.00 -2.24 8.00 -1.26 -4.62 116.55 112.74 2kwb n ASP 25 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2kwb n ASP 25 Cb 0.61 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.93 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 0.00 1.42 -4.31 0.64 7.94 -1.00 -4.98 117.00 116.71 2kwb n LEU 26 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 2kwb n LEU 26 Cb 0.19 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.01 2kwb n LEU 26 CO 0.00 0.19 -0.53 0.68 -1.11 0.00 0.00 177.39 176.62 2kwb s VAL 27 N -1.83 1.84 0.28 1.96 -7.23 -0.91 -0.57 120.40 113.94 2kwb s VAL 27 Ca 0.00 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.45 2kwb s VAL 27 Cb 0.00 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 2kwb s VAL 27 CO 0.00 0.01 0.73 -0.31 -0.31 0.00 0.00 175.10 175.21 2kwb s TYR 28 N -1.10 3.49 -0.03 2.82 2.02 0.17 0.06 117.35 124.78 2kwb s TYR 28 Ca 0.08 1.28 0.07 0.00 -0.37 0.00 0.00 57.07 58.14 2kwb s TYR 28 Cb -0.10 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 2kwb s TYR 28 CO 0.04 0.20 -0.24 -1.83 -1.57 0.00 0.00 175.55 172.15 2kwb s GLU 29 N -2.54 2.17 -0.22 -0.62 -1.05 0.80 -2.28 118.70 114.96 2kwb s GLU 29 Ca 0.49 -0.87 -0.04 0.00 -0.15 0.00 0.00 54.97 54.40 2kwb s GLU 29 Cb -0.13 -1.98 0.12 0.00 -0.44 0.00 0.00 34.13 31.69 2kwb s GLU 29 CO 0.19 0.45 0.37 0.12 0.95 0.00 0.00 175.26 177.34 2kwb s PHE 30 N -0.38 -0.75 0.17 4.83 2.19 -0.96 -2.77 117.98 120.30 2kwb s PHE 30 Ca 0.04 0.97 -0.30 0.00 0.33 0.00 0.00 56.93 57.97 2kwb s PHE 30 Cb -0.11 0.06 -0.08 0.00 -1.31 0.00 0.00 43.02 41.58 2kwb s PHE 30 CO 0.01 -0.63 1.12 -1.59 1.83 0.00 0.00 175.22 175.96 2kwb s LYS 31 N 2.54 4.57 -0.16 10.12 -2.85 -1.26 -0.03 119.74 132.67 2kwb s LYS 31 Ca 0.08 1.74 -0.06 0.00 -1.00 0.00 0.00 55.97 56.73 2kwb s LYS 31 Cb -0.14 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 2kwb s LYS 31 CO -0.14 0.03 0.07 0.20 0.10 0.00 0.00 175.35 175.61 2kwb s GLY 32 N -0.01 1.94 0.25 0.59 0.00 -0.87 -4.87 107.32 104.35 2kwb s GLY 32 Ca 0.50 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 44.42 2kwb s GLY 32 CO 0.35 -0.12 0.54 -1.59 0.00 0.00 0.00 173.10 172.27 2kwb s LYS 33 N -0.09 3.70 -0.49 2.90 -2.85 -1.26 -4.47 119.74 117.18 2kwb s LYS 33 Ca 0.07 0.11 -0.28 0.00 -1.00 0.00 0.00 55.97 54.87 2kwb s LYS 33 Cb -0.12 -2.66 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2kwb s LYS 33 CO 0.01 0.27 1.70 -1.58 0.10 0.00 0.00 175.35 175.85 2kwb s HIS 34 N -1.95 1.91 0.28 1.78 5.65 -1.26 -1.82 115.29 119.89 2kwb s HIS 34 Ca 0.45 0.66 0.03 0.00 0.25 0.00 0.00 55.06 56.45 2kwb s HIS 34 Cb -0.11 -4.19 -0.01 0.00 -1.18 0.00 0.00 32.58 27.09 2kwb s HIS 34 CO 0.26 -2.41 0.31 1.33 -0.65 0.00 0.00 174.74 173.58 2kwb n VAL 35 N 7.19 0.00 -4.74 0.89 0.24 -0.86 -4.40 118.33 116.65 2kwb n VAL 35 Ca 0.19 -1.75 -0.30 0.00 -2.04 0.00 0.00 64.34 60.44 2kwb n VAL 35 Cb 0.49 0.96 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 2kwb n VAL 35 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2kwb s VAL 36 N -2.94 2.31 -0.20 3.34 -7.23 -1.26 -2.45 120.40 111.97 2kwb s VAL 36 Ca 0.29 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2kwb s VAL 36 Cb 0.00 -1.94 0.07 0.00 0.56 0.00 0.00 36.38 35.07 2kwb s VAL 36 CO 0.20 0.30 0.13 -0.60 -0.31 0.00 0.00 175.10 174.82 2kwb s ARG 37 N -1.46 0.11 -0.19 4.82 6.06 -0.85 -4.67 118.95 122.78 2kwb s ARG 37 Ca 0.13 -0.10 -0.07 0.00 -2.50 0.00 0.00 55.73 53.19 2kwb s ARG 37 Cb -0.10 -1.58 -0.04 0.00 0.06 0.00 0.00 34.95 33.29 2kwb s ARG 37 CO 0.04 -0.73 0.05 0.21 -2.50 0.00 0.00 175.30 172.37 2kwb s LYS 38 N 2.17 3.91 -0.97 5.12 2.20 -1.13 -1.36 119.74 129.69 2kwb s LYS 38 Ca 0.04 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 55.02 2kwb s LYS 38 Cb -0.16 -3.20 -0.14 0.00 -1.51 0.00 0.00 37.83 32.82 2kwb s LYS 38 CO -0.15 0.22 2.14 -2.00 -0.36 0.00 0.00 175.35 175.20 2kwb s GLU 39 N 0.52 1.80 0.00 4.03 2.56 -1.26 -2.21 118.70 124.14 2kwb s GLU 39 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.75 2kwb s GLU 39 Cb -0.13 -4.98 0.00 0.00 2.00 0.00 0.00 34.13 31.02 2kwb s GLU 39 CO 0.01 -4.50 0.00 0.41 -0.56 0.00 0.00 175.26 170.62 2kwb n GLY 40 N 6.44 2.21 3.24 -1.50 0.00 -1.26 -5.13 105.19 109.19 2kwb n GLY 40 Ca 0.43 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.24 -0.08 1.61 2.12 -0.94 -5.17 118.70 117.49 2kwb s GLU 41 Ca 0.00 -1.65 -0.04 0.00 0.36 0.00 0.00 54.97 53.64 2kwb s GLU 41 Cb 0.00 0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.48 2kwb s GLU 41 CO 0.00 -0.33 0.17 -1.50 -0.54 0.00 0.00 175.26 173.06 2kwb s ILE 42 N -3.98 -0.05 -0.42 -3.70 2.07 -1.26 -2.82 121.20 111.05 2kwb s ILE 42 Ca 0.36 0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.80 2kwb s ILE 42 Cb 0.07 -0.28 0.16 0.00 0.13 0.00 0.00 42.46 42.55 2kwb s ILE 42 CO 0.11 0.07 0.32 -0.69 -1.91 0.00 0.00 174.94 172.84 2kwb s VAL 43 N 1.16 0.54 0.19 4.00 1.01 -1.26 -5.07 120.40 120.97 2kwb s VAL 43 Ca -0.09 -2.60 0.05 0.00 0.00 0.00 0.00 61.98 59.34 2kwb s VAL 43 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2kwb s VAL 43 CO -0.06 -1.16 0.19 -1.48 0.00 0.00 0.00 175.10 172.58 2kwb s LEU 44 N 0.14 3.91 -0.00 3.92 0.05 -1.26 -4.83 118.68 120.60 2kwb s LEU 44 Ca 0.29 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.37 2kwb s LEU 44 Cb -0.03 -2.49 0.01 0.00 -2.05 0.00 0.00 46.19 41.63 2kwb s LEU 44 CO -0.15 0.03 0.69 0.00 -0.55 0.00 0.00 176.35 176.37 2kwb n ALA 45 N -0.66 1.38 -0.40 1.48 0.00 -1.26 -5.05 120.51 116.01 2kwb n ALA 45 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kwb n ALA 45 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2kwb n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kwb n GLY 46 N -0.10 1.39 3.65 0.00 0.00 -1.26 -4.68 105.19 104.19 2kwb n GLY 46 Ca 0.01 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.00 6.24 -0.26 1.61 0.15 -1.26 -4.73 113.70 111.45 2kwb s SER 47 Ca 0.00 0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.84 2kwb s SER 47 Cb 0.00 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2kwb s SER 47 CO 0.00 -0.04 0.09 0.21 1.20 0.00 0.00 173.24 174.71 2kwb s ASN 48 N 1.21 5.28 0.00 5.45 2.47 -1.26 -4.99 114.94 123.10 2kwb s ASN 48 Ca 0.13 -0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.17 2kwb s ASN 48 Cb -0.15 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 2kwb s ASN 48 CO 0.07 -0.06 1.24 -2.65 -3.72 0.00 0.00 177.10 171.98 2kwb n PRO 49 N 4.94 0.68 -1.76 0.43 -0.02 -1.26 -4.71 135.00 133.32 2kwb n PRO 49 Ca -0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.25 2kwb n PRO 49 Cb 0.51 -1.16 0.03 0.00 -0.02 0.00 0.00 33.50 32.86 2kwb n PRO 49 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kwb n SER 50 N 1.47 0.82 0.00 2.55 7.64 -1.26 -4.98 113.62 119.86 2kwb n SER 50 Ca 0.00 -1.60 0.07 0.00 1.01 0.00 0.00 58.87 58.35 2kwb n SER 50 Cb 0.34 -0.18 0.38 0.00 -1.01 0.00 0.00 64.21 63.75 2kwb n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kwb n ALA 51 N -2.75 1.91 -3.68 -0.43 0.00 -1.26 -4.55 120.51 109.75 2kwb n ALA 51 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2kwb n ALA 51 Cb 0.24 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 2kwb n ALA 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kwb s GLU 52 N -2.28 0.20 -0.13 0.00 -1.05 -1.26 -5.04 118.70 109.14 2kwb s GLU 52 Ca 0.17 0.76 -0.14 0.00 -0.15 0.00 0.00 54.97 55.61 2kwb s GLU 52 Cb 0.09 0.01 -0.25 0.00 -0.44 0.00 0.00 34.13 33.54 2kwb s GLU 52 CO 0.18 -0.25 0.41 1.05 0.95 0.00 0.00 175.26 177.61 2kwb h GLU 53 N 7.99 0.20 0.00 -4.83 4.11 -1.84 -3.47 114.58 116.74 2kwb h GLU 53 Ca -0.21 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2kwb h GLU 53 Cb 1.13 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kwb h GLU 53 CO 0.19 1.17 0.00 0.41 0.07 0.00 0.00 179.01 180.84 2kwb n GLY 54 N 1.77 -0.01 0.00 1.06 0.00 -1.26 -4.90 105.19 101.84 2kwb n GLY 54 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.77 4.61 0.00 -1.26 -5.12 120.51 111.96 2kwb n ALA 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2kwb n ALA 55 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2kwb n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kwb s GLU 56 N -0.27 0.85 -0.17 0.00 2.12 -1.26 -5.12 118.70 114.86 2kwb s GLU 56 Ca 0.00 -1.24 -0.03 0.00 0.36 0.00 0.00 54.97 54.06 2kwb s GLU 56 Cb 0.00 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 2kwb s GLU 56 CO 0.00 -0.99 -0.06 0.16 -0.54 0.00 0.00 175.26 173.83 2kwb s ASP 57 N 1.44 4.51 -1.04 -1.70 -4.77 -1.26 -5.04 116.67 108.81 2kwb s ASP 57 Ca 0.10 -0.23 -0.04 0.00 -3.30 0.00 0.00 52.55 49.08 2kwb s ASP 57 Cb -0.18 -1.74 0.30 0.00 -1.09 0.00 0.00 42.92 40.21 2kwb s ASP 57 CO -0.21 0.12 1.37 0.47 0.70 0.00 0.00 175.17 177.61 2kwb n ASP 58 N 3.83 6.05 0.00 2.11 9.92 -1.26 -4.71 116.55 132.50 2kwb n ASP 58 Ca -0.18 -3.37 0.00 0.00 -0.53 0.00 0.00 54.79 50.71 2kwb n ASP 58 Cb 0.52 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kwb n GLY 59 N 1.43 0.77 2.23 0.44 0.00 -1.26 -5.07 105.19 103.73 2kwb n GLY 59 Ca 0.26 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 4.76 0.04 1.61 3.41 -1.26 -4.48 113.62 117.71 2kwb n SER 60 Ca 0.00 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 2kwb n SER 60 Cb 0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2kwb n SER 60 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kwb n ASP 61 N -1.09 0.49 0.25 4.04 5.68 -1.26 -4.62 116.55 120.04 2kwb n ASP 61 Ca 0.60 0.14 -0.16 0.00 -0.50 0.00 0.00 54.79 54.86 2kwb n ASP 61 Cb 1.40 -0.10 -0.08 0.00 -1.14 0.00 0.00 41.12 41.20 2kwb n ASP 61 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kwb h GLU 62 N 0.00 -0.80 -2.45 0.11 4.39 -2.02 -3.36 114.58 110.46 2kwb h GLU 62 Ca 0.00 0.05 -0.59 0.00 0.34 0.00 0.00 59.36 59.16 2kwb h GLU 62 Cb 0.30 0.18 -0.39 0.00 -0.10 0.00 0.00 28.75 28.75 2kwb h GLU 62 CO 0.00 -0.53 -0.93 0.72 -1.16 0.00 0.00 179.01 177.11 2kwb n HIS 63 N -5.50 -0.33 0.00 4.33 8.25 -1.26 -4.98 115.22 115.74 2kwb n HIS 63 Ca -0.11 -3.45 0.00 0.00 -0.26 0.00 0.00 57.72 53.90 2kwb n HIS 63 Cb 0.40 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2kwb n HIS 63 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kwb n VAL 64 N 2.66 0.00 0.00 1.59 0.31 -1.26 -4.81 118.33 116.82 2kwb n VAL 64 Ca 0.28 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.91 2kwb n VAL 64 Cb 0.46 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 2kwb n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kwb n GLU 65 N -1.84 0.00 -4.63 5.55 2.13 -0.46 -4.94 120.64 116.45 2kwb n GLU 65 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2kwb n GLU 65 Cb 0.00 -3.22 -0.12 0.00 0.27 0.00 0.00 31.44 28.36 2kwb n GLU 65 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2kwb s ARG 66 N 0.00 3.08 0.00 5.31 3.52 -1.26 -2.00 118.95 127.60 2kwb s ARG 66 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2kwb s ARG 66 Cb 0.00 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2kwb s ARG 66 CO 0.00 0.47 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 2kwb n GLY 67 N 2.81 -1.36 3.81 8.12 0.00 -1.03 -4.80 105.19 112.75 2kwb n GLY 67 Ca -0.18 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.95 4.85 0.23 -0.61 -4.36 -1.26 -2.03 121.20 115.07 2kwb s ILE 68 Ca 0.00 -0.43 -0.14 0.00 -0.26 0.00 0.00 60.65 59.81 2kwb s ILE 68 Cb 0.00 -3.26 0.28 0.00 1.25 0.00 0.00 42.46 40.73 2kwb s ILE 68 CO 0.00 0.29 1.48 -0.67 0.24 0.00 0.00 174.94 176.28 2kwb n ASP 69 N 0.96 -0.55 0.01 4.36 2.03 -0.75 -1.96 116.55 120.64 2kwb n ASP 69 Ca -0.11 1.65 -0.12 0.00 0.52 0.00 0.00 54.79 56.73 2kwb n ASP 69 Cb 0.52 -0.41 -0.08 0.00 -0.72 0.00 0.00 41.12 40.44 2kwb n ASP 69 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2kwb h ILE 70 N 0.00 0.00 -0.12 5.18 2.04 -1.89 0.32 117.51 123.03 2kwb h ILE 70 Ca 0.36 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.15 2kwb h ILE 70 Cb 0.60 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2kwb h ILE 70 CO -0.95 0.00 -0.24 -0.37 0.00 0.00 0.00 178.15 176.59 2kwb h VAL 71 N -0.48 1.23 0.01 1.67 -1.51 -1.76 -2.52 116.25 112.89 2kwb h VAL 71 Ca 0.02 -1.07 -0.21 0.00 -1.23 0.00 0.00 66.70 64.21 2kwb h VAL 71 Cb 0.54 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 2kwb h VAL 71 CO -0.32 0.32 -0.92 -0.07 -1.23 0.00 0.00 177.57 175.36 2kwb h LEU 72 N 0.20 0.28 -0.12 4.19 3.38 -1.04 0.14 115.31 122.33 2kwb h LEU 72 Ca 0.03 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 2kwb h LEU 72 Cb 0.54 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kwb h LEU 72 CO 0.04 1.05 -0.56 -1.13 0.09 0.00 0.00 178.44 177.93 2kwb h ASN 73 N 0.11 0.70 0.08 -0.43 -0.73 -0.01 -3.25 115.58 112.04 2kwb h ASN 73 Ca -0.05 -0.63 0.00 0.00 1.87 0.00 0.00 56.30 57.48 2kwb h ASN 73 Cb 1.56 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.95 2kwb h ASN 73 CO 0.14 1.22 -0.25 1.57 -0.37 0.00 0.00 177.43 179.74 2kwb n HIS 74 N -4.17 0.00 -2.63 0.67 -0.00 -0.98 -5.00 115.22 103.11 2kwb n HIS 74 Ca -0.08 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.09 2kwb n HIS 74 Cb 0.63 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kwb n LYS 75 N -0.03 -1.10 -4.29 1.57 4.76 -0.85 -4.63 118.16 113.58 2kwb n LYS 75 Ca 0.13 1.31 -0.34 0.00 -2.87 0.00 0.00 58.31 56.54 2kwb n LYS 75 Cb 0.42 -4.64 -0.12 0.00 -1.84 0.00 0.00 35.03 28.85 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kwb s LEU 76 N -3.27 3.27 0.24 -0.35 1.43 0.44 -1.27 118.68 119.18 2kwb s LEU 76 Ca 0.03 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2kwb s LEU 76 Cb -0.01 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 2kwb s LEU 76 CO 0.56 0.14 0.59 0.54 0.23 0.00 0.00 176.35 178.41 2kwb s VAL 77 N 0.53 4.86 0.43 -1.59 0.11 -0.42 -4.78 120.40 119.54 2kwb s VAL 77 Ca -0.02 0.63 -0.22 0.00 -2.93 0.00 0.00 61.98 59.44 2kwb s VAL 77 Cb -0.14 -3.63 -0.10 0.00 -1.53 0.00 0.00 36.38 30.98 2kwb s VAL 77 CO 0.02 -0.06 1.00 -1.83 -3.33 0.00 0.00 175.10 170.91 2kwb s GLU 78 N -2.74 4.10 0.03 1.54 -1.05 -1.26 -2.00 118.70 117.31 2kwb s GLU 78 Ca 0.48 1.29 -0.01 0.00 -0.15 0.00 0.00 54.97 56.58 2kwb s GLU 78 Cb -0.11 -2.27 -0.03 0.00 -0.44 0.00 0.00 34.13 31.28 2kwb s GLU 78 CO 0.20 -0.16 -0.02 -1.64 0.95 0.00 0.00 175.26 174.58 2kwb s MET 79 N -2.98 0.41 -0.01 -4.83 -1.94 0.19 -4.94 119.30 105.20 2kwb s MET 79 Ca 0.62 -0.79 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 2kwb s MET 79 Cb -0.15 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.83 2kwb s MET 79 CO 0.19 -0.07 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.24 2kwb s ASN 80 N -1.91 1.02 0.40 3.03 0.02 -1.26 -2.44 114.94 113.81 2kwb s ASN 80 Ca -0.09 -0.16 0.22 0.00 -1.02 0.00 0.00 52.86 51.81 2kwb s ASN 80 Cb -0.04 -0.12 1.20 0.00 0.02 0.00 0.00 41.25 42.31 2kwb s ASN 80 CO -0.04 0.10 1.71 0.00 0.02 0.00 0.00 177.10 178.90 2kwb h TYR 82 N 0.29 0.00 0.00 0.00 -0.00 -1.98 -2.95 116.97 112.32 2kwb h TYR 82 Ca 0.69 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 59.08 2kwb h TYR 82 Cb 1.87 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 38.54 2kwb h TYR 82 CO -0.00 0.13 -2.25 0.39 -0.00 0.00 0.00 178.16 176.43 2kwb n GLU 83 N -4.01 0.97 0.00 0.10 -0.58 -0.20 -4.49 120.64 112.43 2kwb n GLU 83 Ca -0.02 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2kwb n GLU 83 Cb 0.22 -1.46 0.62 0.00 -0.57 0.00 0.00 31.44 30.25 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kwb n ASP 84 N -2.76 0.00 0.00 1.62 8.00 -0.89 -4.54 116.55 117.98 2kwb n ASP 84 Ca -0.31 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.15 2kwb n ASP 84 Cb 1.06 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kwb n ALA 85 N -1.30 0.00 0.13 2.24 0.00 -1.12 -0.13 120.51 120.32 2kwb n ALA 85 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 2kwb n ALA 85 Cb 0.20 0.31 0.39 0.00 0.00 0.00 0.00 19.45 20.35 2kwb n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kwb h SER 86 N 0.00 0.20 0.48 0.00 0.87 -1.92 -2.62 113.55 110.55 2kwb h SER 86 Ca 0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2kwb h SER 86 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kwb h SER 86 CO 0.00 0.38 -0.23 0.24 -0.53 0.00 0.00 176.83 176.69 2kwb h MET 87 N 0.20 -0.62 0.00 2.24 2.07 -0.81 -0.89 114.93 117.12 2kwb h MET 87 Ca 0.04 0.04 -0.08 0.00 -2.07 0.00 0.00 59.70 57.64 2kwb h MET 87 Cb 0.40 0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 2kwb h MET 87 CO 0.02 -0.41 -0.36 0.27 1.07 0.00 0.00 176.91 177.50 2kwb h PHE 88 N -0.78 0.00 -0.43 -0.22 -0.00 -0.93 -0.19 116.94 114.38 2kwb h PHE 88 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.79 2kwb h PHE 88 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.43 2kwb h PHE 88 CO 0.07 0.36 -0.17 -0.22 -0.00 0.00 0.00 178.31 178.35 2kwb h LYS 89 N 0.00 0.88 -0.46 6.09 3.11 -1.51 -0.49 116.57 124.19 2kwb h LYS 89 Ca -0.00 -0.37 -0.13 0.00 -2.81 0.00 0.00 60.65 57.34 2kwb h LYS 89 Cb 0.82 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2kwb h LYS 89 CO 0.05 1.01 -0.22 0.00 -2.81 0.00 0.00 179.45 177.48 2kwb h ALA 90 N 0.84 0.65 0.10 5.00 0.00 -0.78 -2.47 119.26 122.59 2kwb h ALA 90 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kwb h ALA 90 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kwb h ALA 90 CO 0.06 0.64 -0.05 -0.92 0.00 0.00 0.00 179.25 178.97 2kwb h TYR 91 N 0.81 -0.12 -0.19 0.00 3.20 -0.94 -1.18 116.97 118.54 2kwb h TYR 91 Ca 0.10 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2kwb h TYR 91 Cb 0.80 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2kwb h TYR 91 CO 0.05 -0.02 -0.02 0.97 -1.64 0.00 0.00 178.16 177.51 2kwb h ILE 92 N -0.19 1.13 0.34 1.81 6.09 -1.13 -0.74 117.51 124.83 2kwb h ILE 92 Ca -0.01 -0.53 -0.02 0.00 -1.37 0.00 0.00 64.86 62.93 2kwb h ILE 92 Cb 0.16 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2kwb h ILE 92 CO 0.02 0.18 -0.16 0.50 -3.07 0.00 0.00 178.15 175.61 2kwb h LYS 93 N 0.28 -0.44 -0.79 2.19 1.63 -1.21 0.37 116.57 118.59 2kwb h LYS 93 Ca 0.06 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 2kwb h LYS 93 Cb 0.22 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 2kwb h LYS 93 CO 0.01 -0.12 0.52 1.57 -3.45 0.00 0.00 179.45 177.98 2kwb h LYS 94 N -0.89 0.85 0.43 1.90 2.10 -1.13 -1.50 116.57 118.33 2kwb h LYS 94 Ca -0.05 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 2kwb h LYS 94 Cb 0.53 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2kwb h LYS 94 CO 0.08 0.56 -0.20 0.35 -2.00 0.00 0.00 179.45 178.24 2kwb h PHE 95 N 0.88 -0.53 -0.34 0.07 3.57 -1.13 -1.57 116.94 117.90 2kwb h PHE 95 Ca 0.34 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.89 2kwb h PHE 95 Cb 0.20 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 2kwb h PHE 95 CO -0.00 -0.29 -0.05 1.98 -2.23 0.00 0.00 178.31 177.72 2kwb h MET 96 N -0.64 0.04 -0.58 1.11 4.05 -0.30 -0.79 114.93 117.82 2kwb h MET 96 Ca -0.06 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 2kwb h MET 96 Cb 0.48 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 2kwb h MET 96 CO 0.10 0.02 0.06 -0.22 0.23 0.00 0.00 176.91 177.10 2kwb h LYS 97 N 0.04 0.96 0.17 0.39 3.64 -1.33 -2.20 116.57 118.23 2kwb h LYS 97 Ca 0.16 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2kwb h LYS 97 Cb 0.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2kwb h LYS 97 CO -0.32 0.91 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.72 2kwb h ASN 98 N 0.90 -0.19 -0.56 4.20 -0.73 -0.45 0.14 115.58 118.89 2kwb h ASN 98 Ca 0.18 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 2kwb h ASN 98 Cb 0.44 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 2kwb h ASN 98 CO 0.02 0.05 0.18 -0.37 -0.37 0.00 0.00 177.43 176.93 2kwb h VAL 99 N -0.44 1.24 -0.37 2.57 -1.51 -1.19 -0.30 116.25 116.25 2kwb h VAL 99 Ca -0.02 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.63 2kwb h VAL 99 Cb 0.34 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 2kwb h VAL 99 CO 0.04 0.30 0.16 0.40 -1.23 0.00 0.00 177.57 177.24 2kwb h ILE 100 N 0.78 1.18 -0.34 7.19 1.08 -1.39 -0.90 117.51 125.11 2kwb h ILE 100 Ca 0.18 -0.56 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 2kwb h ILE 100 Cb 0.28 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 2kwb h ILE 100 CO -0.01 0.20 0.09 -0.78 -0.69 0.00 0.00 178.15 176.96 2kwb h ASP 101 N 0.46 0.05 0.37 1.72 3.58 -0.48 0.13 116.42 122.25 2kwb h ASP 101 Ca 0.13 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 2kwb h ASP 101 Cb 0.17 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kwb h ASP 101 CO -0.01 0.07 -0.30 0.45 -2.88 0.00 0.00 179.24 176.56 2kwb h HIS 102 N 0.21 0.00 0.10 0.28 3.86 -0.94 -2.97 115.15 115.70 2kwb h HIS 102 Ca 0.16 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2kwb h HIS 102 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2kwb h HIS 102 CO -0.17 0.30 -0.05 1.98 0.86 0.00 0.00 177.93 180.85 2kwb h MET 103 N 0.00 -0.13 -0.76 2.45 1.85 -0.34 -3.33 114.93 114.67 2kwb h MET 103 Ca -0.00 0.01 0.16 0.00 -0.61 0.00 0.00 59.70 59.25 2kwb h MET 103 Cb 0.57 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.58 2kwb h MET 103 CO 0.04 0.35 0.51 1.05 -0.40 0.00 0.00 176.91 178.46 2kwb h GLU 104 N -0.91 0.38 -0.96 0.39 4.11 -0.80 0.47 114.58 117.25 2kwb h GLU 104 Ca -0.01 -0.02 0.21 0.00 0.07 0.00 0.00 59.36 59.60 2kwb h GLU 104 Cb 0.54 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 2kwb h GLU 104 CO 0.02 0.25 0.62 0.87 0.07 0.00 0.00 179.01 180.84 2kwb h LYS 105 N 0.39 0.52 -0.00 1.06 1.79 -1.63 0.16 116.57 118.85 2kwb h LYS 105 Ca 0.38 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2kwb h LYS 105 Cb 0.90 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2kwb h LYS 105 CO -0.12 0.34 -0.10 0.27 -1.08 0.00 0.00 179.45 178.77 2kwb n ASN 106 N -4.61 0.65 -2.18 0.86 0.23 -0.45 -4.77 115.26 104.99 2kwb n ASN 106 Ca 0.21 -0.82 0.01 0.00 -0.53 0.00 0.00 54.58 53.45 2kwb n ASN 106 Cb 0.68 0.59 0.04 0.00 -2.08 0.00 0.00 39.78 39.00 2kwb n ASN 106 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kwb n ASN 107 N -0.54 1.12 0.00 0.53 4.13 0.15 -4.93 115.26 115.72 2kwb n ASN 107 Ca 0.01 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.26 2kwb n ASN 107 Cb 0.07 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 -0.13 0.00 -1.97 3.52 -4.01 0.51 -3.66 116.66 110.92 2kwb n ARG 108 Ca 0.04 0.29 -0.39 0.00 -1.04 0.00 0.00 57.85 56.76 2kwb n ARG 108 Cb 0.95 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.84 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2kwb n ASP 109 N -1.29 3.68 0.00 2.89 8.00 -1.26 -4.86 116.55 123.71 2kwb n ASP 109 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2kwb n ASP 109 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.50 2kwb n ASP 109 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kwb n LYS 110 N 7.64 0.00 -0.29 -1.24 5.02 -1.26 -2.63 118.16 125.39 2kwb n LYS 110 Ca 0.48 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 2kwb n LYS 110 Cb 0.44 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.68 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwb h ALA 111 N 0.00 1.28 0.54 7.82 0.00 -1.90 0.38 119.26 127.39 2kwb h ALA 111 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2kwb h ALA 111 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kwb h ALA 111 CO 0.00 -0.16 -0.26 -0.44 0.00 0.00 0.00 179.25 178.39 2kwb h ASP 112 N 0.55 -0.61 0.18 0.00 5.19 -1.73 0.52 116.42 120.51 2kwb h ASP 112 Ca 0.48 -0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.76 2kwb h ASP 112 Cb 0.74 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2kwb h ASP 112 CO -0.40 -0.33 -0.34 -0.37 -3.12 0.00 0.00 179.24 174.67 2kwb h VAL 113 N -0.89 1.28 -0.04 -1.35 -1.51 -1.54 -1.88 116.25 110.33 2kwb h VAL 113 Ca -0.07 -1.35 -0.20 0.00 -1.23 0.00 0.00 66.70 63.85 2kwb h VAL 113 Cb 0.62 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2kwb h VAL 113 CO 0.12 0.41 -0.82 -0.78 -1.23 0.00 0.00 177.57 175.27 2kwb h ASP 114 N 0.22 0.43 -0.22 4.19 3.58 -0.89 0.20 116.42 123.92 2kwb h ASP 114 Ca 0.03 -0.31 -0.06 0.00 0.42 0.00 0.00 57.03 57.10 2kwb h ASP 114 Cb 0.72 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2kwb h ASP 114 CO 0.05 1.08 -0.11 0.00 -2.88 0.00 0.00 179.24 177.39 2kwb h ALA 115 N 0.90 0.31 -0.31 -0.78 0.00 -0.76 0.40 119.26 119.03 2kwb h ALA 115 Ca -0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kwb h ALA 115 Cb 1.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2kwb h ALA 115 CO 0.14 0.15 0.18 0.35 0.00 0.00 0.00 179.25 180.07 2kwb h PHE 116 N 0.17 0.41 -0.29 0.00 3.57 -1.37 -1.95 116.94 117.49 2kwb h PHE 116 Ca 0.05 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2kwb h PHE 116 Cb 0.60 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2kwb h PHE 116 CO 0.06 0.32 0.19 -0.22 -2.23 0.00 0.00 178.31 176.43 2kwb h LYS 117 N 0.39 0.34 -0.46 1.11 3.64 -0.89 -2.44 116.57 118.26 2kwb h LYS 117 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2kwb h LYS 117 Cb 0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2kwb h LYS 117 CO -0.02 0.22 0.30 -0.22 -2.27 0.00 0.00 179.45 177.46 2kwb h LYS 118 N 0.35 0.60 -0.15 1.90 1.63 0.57 0.30 116.57 121.77 2kwb h LYS 118 Ca 0.11 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2kwb h LYS 118 Cb 0.02 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2kwb h LYS 118 CO -0.02 0.41 -0.07 0.87 -3.45 0.00 0.00 179.45 177.19 2kwb h LYS 119 N 0.62 0.31 -0.67 1.90 1.57 -1.19 -1.57 116.57 117.54 2kwb h LYS 119 Ca 0.17 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2kwb h LYS 119 Cb -0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2kwb h LYS 119 CO -0.04 0.63 0.42 0.82 -0.57 0.00 0.00 179.45 180.72 2kwb h ILE 120 N -0.01 1.11 -0.39 1.86 1.08 -1.27 0.73 117.51 120.61 2kwb h ILE 120 Ca 0.03 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2kwb h ILE 120 Cb 0.54 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2kwb h ILE 120 CO 0.02 0.15 0.16 -0.61 -0.69 0.00 0.00 178.15 177.19 2kwb h GLN 121 N 0.83 0.58 -0.70 2.37 4.15 -0.39 0.01 115.11 121.96 2kwb h GLN 121 Ca 0.26 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 2kwb h GLN 121 Cb -0.01 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2kwb h GLN 121 CO -0.09 0.54 0.41 0.78 -1.93 0.00 0.00 178.83 178.54 2kwb h GLY 122 N 0.49 1.02 0.93 2.39 0.00 -0.98 0.14 103.07 107.05 2kwb h GLY 122 Ca 0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2kwb h GLY 122 CO -0.01 0.42 0.00 -0.25 0.00 0.00 0.00 176.54 176.70 2kwb h TRP 123 N 0.95 0.01 -0.25 5.60 7.01 -0.57 -2.36 115.95 126.34 2kwb h TRP 123 Ca 0.25 -0.00 -0.14 0.00 2.11 0.00 0.00 58.89 61.10 2kwb h TRP 123 Cb -0.01 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2kwb h TRP 123 CO -0.01 0.07 -0.41 -0.39 -2.79 0.00 0.00 178.44 174.92 2kwb h VAL 124 N -0.06 1.31 0.00 2.65 -1.51 -0.89 0.14 116.25 117.89 2kwb h VAL 124 Ca 0.00 -1.61 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 2kwb h VAL 124 Cb 0.07 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kwb h VAL 124 CO -0.00 0.51 -0.07 1.62 -1.23 0.00 0.00 177.57 178.40 2kwb h VAL 125 N 0.45 0.58 0.00 7.19 3.04 -0.74 0.19 116.25 126.96 2kwb h VAL 125 Ca 0.02 -0.31 -0.13 0.00 -1.01 0.00 0.00 66.70 65.27 2kwb h VAL 125 Cb 1.00 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2kwb h VAL 125 CO 0.09 0.07 -0.75 0.28 -1.01 0.00 0.00 177.57 176.26 2kwb h SER 126 N 0.00 0.00 -0.60 3.17 0.02 -1.32 -3.34 113.55 111.48 2kwb h SER 126 Ca -0.00 -0.57 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 2kwb h SER 126 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2kwb h SER 126 CO 0.01 1.22 0.40 0.25 -1.14 0.00 0.00 176.83 177.57 2kwb h LEU 127 N -1.00 0.66 -0.59 5.07 5.85 -0.41 -1.14 115.31 123.75 2kwb h LEU 127 Ca -0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kwb h LEU 127 Cb 1.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2kwb h LEU 127 CO -0.12 0.47 0.00 0.18 -0.34 0.00 0.00 178.44 178.63 2kwb n LEU 128 N -4.45 0.88 -4.55 2.25 4.77 0.64 -4.80 117.00 111.73 2kwb n LEU 128 Ca 0.06 -0.36 -0.32 0.00 -0.03 0.00 0.00 56.01 55.36 2kwb n LEU 128 Cb 0.08 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2kwb n LEU 128 CO 0.35 0.18 1.77 0.00 -1.33 0.00 0.00 177.39 178.36 2kwb s ALA 129 N -1.90 1.56 0.07 -1.18 0.00 -0.43 -4.87 121.76 115.00 2kwb s ALA 129 Ca 0.32 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 2kwb s ALA 129 Cb 0.16 -4.39 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 2kwb s ALA 129 CO 0.25 -4.64 1.30 -0.22 0.00 0.00 0.00 175.76 172.45 2kwb h LYS 130 N 17.12 -0.19 -0.27 0.00 3.64 -1.89 -0.84 116.57 134.14 2kwb h LYS 130 Ca -0.18 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2kwb h LYS 130 Cb 1.19 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2kwb h LYS 130 CO 1.15 -0.13 0.10 -0.44 -2.27 0.00 0.00 179.45 177.86 2kwb h ASP 131 N -0.20 0.38 0.03 4.20 5.19 -2.00 0.26 116.42 124.29 2kwb h ASP 131 Ca 0.04 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2kwb h ASP 131 Cb 0.32 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2kwb h ASP 131 CO -0.34 0.45 -0.02 -0.09 -3.12 0.00 0.00 179.24 176.12 2kwb h ARG 132 N 0.29 -0.04 -0.00 3.56 9.65 -1.97 -3.32 114.38 122.55 2kwb h ARG 132 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2kwb h ARG 132 Cb 0.19 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2kwb h ARG 132 CO -0.01 0.58 -0.07 1.19 2.80 0.00 0.00 179.97 184.46 2kwb n PHE 133 N -4.80 0.00 0.17 2.20 3.01 -0.33 -3.36 117.46 114.36 2kwb n PHE 133 Ca -0.09 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.54 2kwb n PHE 133 Cb 0.32 -0.25 0.65 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.24 0.00 -0.53 -1.08 3.64 -0.58 0.06 116.57 118.33 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 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 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 -3.20 1.09 -4.92 4.20 5.03 -1.21 -4.88 115.26 111.36 2kwb n ASN 135 Ca 0.05 -2.06 -0.26 0.00 0.87 0.00 0.00 54.58 53.18 2kwb n ASN 135 Cb 0.68 -0.30 0.01 0.00 -1.02 0.00 0.00 39.78 39.15 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 -0.68 3.63 -0.11 3.41 1.43 0.00 -4.91 118.68 121.45 2kwb s LEU 136 Ca 0.07 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2kwb s LEU 136 Cb 0.05 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.70 2kwb s LEU 136 CO 0.03 -0.64 -0.18 0.00 0.23 0.00 0.00 176.35 175.80 2kwb s ALA 137 N -2.68 1.84 -0.13 4.21 0.00 -1.09 -4.84 121.76 119.07 2kwb s ALA 137 Ca 0.47 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 2kwb s ALA 137 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2kwb s ALA 137 CO 0.42 -0.00 0.26 -0.06 0.00 0.00 0.00 175.76 176.38 2kwb s PHE 138 N 0.84 3.52 -0.06 0.00 0.40 -1.02 -0.82 117.98 120.83 2kwb s PHE 138 Ca -0.09 0.61 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2kwb s PHE 138 Cb -0.16 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.15 2kwb s PHE 138 CO 0.00 0.40 -0.12 -0.06 0.70 0.00 0.00 175.22 176.14 2kwb s PHE 139 N -0.08 1.44 0.08 0.36 0.40 -0.27 0.54 117.98 120.45 2kwb s PHE 139 Ca 0.16 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 2kwb s PHE 139 Cb -0.13 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2kwb s PHE 139 CO 0.05 -0.25 -0.20 -1.50 0.70 0.00 0.00 175.22 174.01 2kwb s ILE 140 N 0.56 1.66 0.38 0.64 2.07 -0.85 0.06 121.20 125.72 2kwb s ILE 140 Ca -0.13 -1.40 -0.27 0.00 -1.41 0.00 0.00 60.65 57.44 2kwb s ILE 140 Cb -0.15 -1.49 -0.11 0.00 0.13 0.00 0.00 42.46 40.85 2kwb s ILE 140 CO 0.03 0.03 1.37 0.61 -1.91 0.00 0.00 174.94 175.08 2kwb n GLY 141 N 1.38 0.84 0.37 1.50 0.00 -1.26 -1.31 105.19 106.72 2kwb n GLY 141 Ca -0.19 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2kwb n GLY 141 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kwb h GLU 142 N 2.56 -0.06 -0.49 1.61 4.57 -1.44 0.19 114.58 121.52 2kwb h GLU 142 Ca -0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 2kwb h GLU 142 Cb 1.27 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 2kwb h GLU 142 CO 0.62 -0.04 0.17 0.07 -1.18 0.00 0.00 179.01 178.66 2kwb h ARG 143 N -0.06 0.70 0.09 1.92 0.11 -1.91 -3.12 114.38 112.12 2kwb h ARG 143 Ca 0.30 -0.11 -0.27 0.00 0.10 0.00 0.00 59.98 60.01 2kwb h ARG 143 Cb 0.58 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.55 2kwb h ARG 143 CO -0.88 0.60 -1.16 0.00 0.10 0.00 0.00 179.97 178.63 2kwb h ALA 144 N 1.50 0.14 0.54 0.08 0.00 -1.11 -1.87 119.26 118.54 2kwb h ALA 144 Ca 0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 2kwb h ALA 144 Cb 0.17 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kwb h ALA 144 CO -0.01 0.81 -0.26 0.00 0.00 0.00 0.00 179.25 179.79 2kwb h ALA 145 N 0.51 -0.73 0.00 0.00 0.00 -0.76 -0.56 119.26 117.72 2kwb h ALA 145 Ca -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kwb h ALA 145 Cb 1.84 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 2kwb h ALA 145 CO 0.21 -0.84 -0.11 1.05 0.00 0.00 0.00 179.25 179.56 2kwb h GLU 146 N -0.87 0.00 0.00 0.00 4.11 -1.69 -2.60 114.58 113.53 2kwb h GLU 146 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 2kwb h GLU 146 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kwb h GLU 146 CO 0.12 0.11 -0.12 0.78 0.07 0.00 0.00 179.01 179.97 2kwb h GLY 147 N 2.91 0.00 -5.54 1.06 0.00 -1.20 -3.48 103.07 96.82 2kwb h GLY 147 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2kwb h GLY 147 CO 0.01 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.90 2kwb n ALA 148 N -2.15 -1.37 0.76 3.60 0.00 -0.23 -4.91 120.51 116.20 2kwb n ALA 148 Ca 0.01 0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.86 2kwb n ALA 148 Cb 0.41 -4.65 0.28 0.00 0.00 0.00 0.00 19.45 15.48 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 -4.59 2.16 -3.61 0.00 0.28 -1.19 -4.94 120.64 108.75 2kwb n GLU 149 Ca -0.05 -1.75 -0.24 0.00 -0.16 0.00 0.00 57.16 54.96 2kwb n GLU 149 Cb 0.58 -1.46 -0.04 0.00 1.43 0.00 0.00 31.44 31.95 2kwb n GLU 149 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kwb n ASN 150 N 0.98 -1.93 0.00 -1.84 0.23 -1.26 -4.92 115.26 106.52 2kwb n ASN 150 Ca 0.18 -0.48 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 2kwb n ASN 150 Cb 0.49 -1.69 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 2kwb n ASN 150 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kwb n GLY 151 N -0.89 0.60 3.57 4.83 0.00 -1.26 -4.73 105.19 107.31 2kwb n GLY 151 Ca 0.05 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 2.84 -0.28 1.61 0.74 -1.26 -4.96 119.66 118.35 2kwb s GLN 152 Ca 0.00 1.11 -0.21 0.00 0.05 0.00 0.00 55.36 56.31 2kwb s GLN 152 Cb 0.00 -4.34 -0.01 0.00 1.10 0.00 0.00 33.01 29.75 2kwb s GLN 152 CO 0.00 -2.45 0.66 0.08 -0.55 0.00 0.00 175.29 173.03 2kwb s VAL 153 N 8.67 4.94 -0.13 1.34 1.01 -1.26 -4.41 120.40 130.56 2kwb s VAL 153 Ca 0.78 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 2kwb s VAL 153 Cb -0.18 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2kwb s VAL 153 CO 0.27 -0.07 1.02 0.00 0.00 0.00 0.00 175.10 176.32 2kwb s ALA 154 N 2.61 3.47 -0.25 5.51 0.00 0.11 -4.89 121.76 128.31 2kwb s ALA 154 Ca 0.27 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 2kwb s ALA 154 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 2kwb s ALA 154 CO 0.10 -0.71 0.63 0.42 0.00 0.00 0.00 175.76 176.20 2kwb s ILE 155 N 2.28 4.98 -0.45 0.00 -1.09 -1.01 -1.11 121.20 124.81 2kwb s ILE 155 Ca 0.48 1.14 -0.16 0.00 -2.23 0.00 0.00 60.65 59.88 2kwb s ILE 155 Cb -0.18 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.81 2kwb s ILE 155 CO 0.15 0.03 0.38 -0.63 -1.23 0.00 0.00 174.94 173.64 2kwb s ILE 156 N 2.51 5.21 -0.08 2.92 -1.09 -0.00 0.33 121.20 130.99 2kwb s ILE 156 Ca 0.26 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2kwb s ILE 156 Cb -0.15 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2kwb s ILE 156 CO 0.08 -0.47 -0.09 -0.70 -1.23 0.00 0.00 174.94 172.53 2kwb s GLU 157 N 1.76 2.90 -0.21 2.79 -6.30 0.06 -2.69 118.70 117.00 2kwb s GLU 157 Ca 0.06 -0.59 -0.18 0.00 -2.50 0.00 0.00 54.97 51.76 2kwb s GLU 157 Cb -0.21 -2.59 -0.03 0.00 0.00 0.00 0.00 34.13 31.29 2kwb s GLU 157 CO 0.09 0.55 0.50 1.52 0.02 0.00 0.00 175.26 177.93 2kwb s TYR 158 N -0.50 3.36 0.11 5.30 1.13 -1.26 -0.32 117.35 125.17 2kwb s TYR 158 Ca 0.07 0.73 0.05 0.00 -1.41 0.00 0.00 57.07 56.52 2kwb s TYR 158 Cb -0.12 -2.65 -0.04 0.00 -1.10 0.00 0.00 41.96 38.05 2kwb s TYR 158 CO 0.02 -0.11 -0.13 1.03 -2.51 0.00 0.00 175.55 173.85 2kwb s ARG 159 N 1.65 0.97 0.26 -3.49 0.52 -0.50 -4.96 118.95 113.40 2kwb s ARG 159 Ca 0.23 -1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 54.01 2kwb s ARG 159 Cb -0.15 -0.83 -0.09 0.00 0.52 0.00 0.00 34.95 34.40 2kwb s ARG 159 CO 0.09 0.16 0.82 0.34 0.02 0.00 0.00 175.30 176.73 2kwb s ASP 160 N -2.38 7.21 -0.47 0.23 2.15 -1.26 -0.85 116.67 121.30 2kwb s ASP 160 Ca 0.07 1.62 0.03 0.00 0.43 0.00 0.00 52.55 54.69 2kwb s ASP 160 Cb -0.05 -2.49 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 2kwb s ASP 160 CO 0.02 0.01 0.28 -0.69 -0.17 0.00 0.00 175.17 174.63 2kwb s VAL 161 N -1.52 1.57 -1.62 1.11 1.01 0.48 -4.90 120.40 116.54 2kwb s VAL 161 Ca 0.45 -2.82 -0.14 0.00 0.00 0.00 0.00 61.98 59.46 2kwb s VAL 161 Cb -0.18 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.22 2kwb s VAL 161 CO 0.23 -0.93 0.76 0.47 0.00 0.00 0.00 175.10 175.63 2kwb n ASP 162 N 3.27 -3.08 0.00 3.32 8.00 -1.26 -1.13 116.55 125.66 2kwb n ASP 162 Ca 0.11 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2kwb n ASP 162 Cb 0.36 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 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 -1.56 2.51 3.44 0.44 0.00 -1.26 -5.05 105.19 103.70 2kwb n GLY 163 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2kwb n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kwb s THR 164 N -2.36 4.97 -0.38 2.61 2.01 -0.29 -5.04 115.64 117.17 2kwb s THR 164 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2kwb s THR 164 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2kwb s THR 164 CO 0.00 -0.71 1.24 -0.70 -0.69 0.00 0.00 174.62 173.76 2kwb s GLU 165 N 2.39 3.80 0.00 4.92 2.12 -1.26 -0.39 118.70 130.29 2kwb s GLU 165 Ca 0.13 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.49 2kwb s GLU 165 Cb -0.20 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 2kwb s GLU 165 CO 0.11 -1.27 -0.25 0.14 -0.54 0.00 0.00 175.26 173.46 2kwb s VAL 166 N 4.53 2.19 -0.28 3.70 -7.23 -0.03 -4.94 120.40 118.35 2kwb s VAL 166 Ca 0.53 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 2kwb s VAL 166 Cb -0.12 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 2kwb s VAL 166 CO 0.27 0.50 1.42 -2.84 -0.31 0.00 0.00 175.10 174.13 2kwb s PRO 167 N -0.87 3.86 -0.06 4.82 0.02 -1.26 -1.41 135.00 140.09 2kwb s PRO 167 Ca 0.11 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.51 2kwb s PRO 167 Cb -0.10 -3.94 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 2kwb s PRO 167 CO 0.00 -1.20 -0.04 0.95 -0.33 0.00 0.00 177.00 176.38 2kwb s THR 168 N 4.71 3.89 0.36 0.99 -4.23 0.56 -2.06 115.64 119.87 2kwb s THR 168 Ca 0.62 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 2kwb s THR 168 Cb -0.19 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 2kwb s THR 168 CO 0.26 0.56 1.00 -0.22 -0.54 0.00 0.00 174.62 175.68 2kwb s LEU 169 N -0.95 4.24 -0.09 4.79 2.96 0.96 -0.76 118.68 129.83 2kwb s LEU 169 Ca 0.14 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 2kwb s LEU 169 Cb -0.11 -4.10 0.02 0.00 0.50 0.00 0.00 46.19 42.50 2kwb s LEU 169 CO 0.03 -0.28 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.38 2kwb s MET 170 N -2.28 1.45 0.16 1.98 -2.45 0.15 -2.28 119.30 116.04 2kwb s MET 170 Ca 0.54 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.75 2kwb s MET 170 Cb -0.20 -1.40 -0.05 0.00 1.25 0.00 0.00 34.83 34.43 2kwb s MET 170 CO 0.26 -0.15 -0.08 -0.51 1.05 0.00 0.00 175.02 175.59 2kwb s LEU 171 N 1.28 2.45 -0.15 4.11 1.43 -0.97 -2.39 118.68 124.44 2kwb s LEU 171 Ca -0.03 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 2kwb s LEU 171 Cb -0.14 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 2kwb s LEU 171 CO -0.03 -0.38 0.28 -0.69 0.23 0.00 0.00 176.35 175.76 2kwb s VAL 172 N -3.37 5.30 0.10 -1.59 1.01 -1.26 0.45 120.40 121.03 2kwb s VAL 172 Ca 0.19 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2kwb s VAL 172 Cb 0.03 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 2kwb s VAL 172 CO 0.02 0.42 1.63 0.50 0.00 0.00 0.00 175.10 177.66 2kwb h LYS 173 N 6.46 -0.61 0.00 2.72 3.11 -1.16 -2.38 116.57 124.71 2kwb h LYS 173 Ca -0.42 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2kwb h LYS 173 Cb 1.17 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 2kwb h LYS 173 CO 0.74 -0.41 0.00 -1.91 -2.81 0.00 0.00 179.45 175.06 2kwb n GLU 174 N -5.42 0.76 0.01 1.90 4.07 -1.26 -1.45 120.64 119.25 2kwb n GLU 174 Ca -0.09 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.10 2kwb n GLU 174 Cb 0.33 -1.27 -0.13 0.00 -0.06 0.00 0.00 31.44 30.31 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kwb n ALA 175 N -0.77 2.60 -3.97 4.31 0.00 -0.92 -4.83 120.51 116.93 2kwb n ALA 175 Ca 0.10 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 2kwb n ALA 175 Cb 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 2kwb n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kwb s ILE 176 N -3.38 2.38 -0.37 0.00 1.01 -0.53 -2.06 121.20 118.25 2kwb s ILE 176 Ca -0.06 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 58.74 2kwb s ILE 176 Cb 0.12 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2kwb s ILE 176 CO 0.87 -0.11 0.59 -0.63 0.00 0.00 0.00 174.94 175.66 2kwb s ILE 177 N 1.12 4.93 0.26 2.92 -1.09 0.13 -4.83 121.20 124.64 2kwb s ILE 177 Ca -0.06 0.40 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2kwb s ILE 177 Cb -0.20 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 2kwb s ILE 177 CO -0.04 -0.32 0.55 -1.83 -1.23 0.00 0.00 174.94 172.06 2kwb s GLU 178 N 2.60 3.69 -0.29 2.79 4.04 -1.26 -1.73 118.70 128.54 2kwb s GLU 178 Ca 0.22 0.11 -0.02 0.00 0.04 0.00 0.00 54.97 55.32 2kwb s GLU 178 Cb -0.15 -2.65 0.05 0.00 0.02 0.00 0.00 34.13 31.39 2kwb s GLU 178 CO 0.15 0.26 -0.01 -2.00 -1.84 0.00 0.00 175.26 171.82 2kwb s GLU 179 N -3.24 2.50 -0.87 -4.83 2.56 0.14 -4.97 118.70 110.00 2kwb s GLU 179 Ca 0.45 -1.22 -0.25 0.00 0.00 0.00 0.00 54.97 53.96 2kwb s GLU 179 Cb -0.11 -3.14 0.05 0.00 2.00 0.00 0.00 34.13 32.92 2kwb s GLU 179 CO 0.27 -0.58 1.33 0.21 -0.56 0.00 0.00 175.26 175.92 2kwb s LYS 180 N 1.26 3.38 -0.33 4.30 2.20 -1.26 -2.50 119.74 126.79 2kwb s LYS 180 Ca -0.04 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2kwb s LYS 180 Cb -0.19 -4.74 0.11 0.00 -1.51 0.00 0.00 37.83 31.50 2kwb s LYS 180 CO -0.02 -2.13 0.14 0.00 -0.36 0.00 0.00 175.35 172.98 2kwb s LEU 182 N 1.43 3.31 0.00 0.00 1.43 -1.26 -4.01 118.68 119.58 2kwb s LEU 182 Ca 0.12 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2kwb s LEU 182 Cb -0.19 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2kwb s LEU 182 CO -0.20 -0.17 0.49 -0.62 0.23 0.00 0.00 176.35 176.08