#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 4.37 -0.15 -0.89 2.96 0.07 -4.64 118.68 120.40 2kwb s LEU 2 Ca 0.00 2.20 -0.07 0.00 -0.22 0.00 0.00 54.13 56.04 2kwb s LEU 2 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2kwb s LEU 2 CO 0.00 -0.57 0.08 -0.63 -1.32 0.00 0.00 176.35 173.91 2kwb s ILE 3 N 1.07 5.00 0.00 6.68 1.01 -1.05 -0.17 121.20 133.74 2kwb s ILE 3 Ca 0.62 0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.37 2kwb s ILE 3 Cb -0.34 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2kwb s ILE 3 CO 0.30 0.52 -0.22 -0.72 0.00 0.00 0.00 174.94 174.82 2kwb s TYR 4 N -0.19 1.93 -0.32 3.97 1.13 0.26 0.12 117.35 124.26 2kwb s TYR 4 Ca 0.08 -0.37 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 2kwb s TYR 4 Cb -0.12 -1.21 0.04 0.00 -1.10 0.00 0.00 41.96 39.57 2kwb s TYR 4 CO 0.01 0.01 0.06 0.21 -2.51 0.00 0.00 175.55 173.33 2kwb s LYS 5 N -0.73 2.60 0.36 -3.49 2.20 -0.17 -2.48 119.74 118.03 2kwb s LYS 5 Ca 0.08 -1.17 -0.18 0.00 -0.36 0.00 0.00 55.97 54.34 2kwb s LYS 5 Cb -0.09 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 2kwb s LYS 5 CO 0.00 -0.62 0.83 -0.51 -0.36 0.00 0.00 175.35 174.69 2kwb s ASP 6 N 1.36 6.88 0.40 1.43 1.11 -1.26 -1.48 116.67 125.11 2kwb s ASP 6 Ca -0.02 1.48 0.07 0.00 0.18 0.00 0.00 52.55 54.25 2kwb s ASP 6 Cb -0.19 -2.45 0.82 0.00 1.07 0.00 0.00 42.92 42.16 2kwb s ASP 6 CO 0.01 -0.25 2.02 0.40 1.18 0.00 0.00 175.17 178.53 2kwb h ILE 7 N 2.00 1.12 0.00 0.77 2.04 -1.34 -2.19 117.51 119.92 2kwb h ILE 7 Ca -0.48 -0.33 -0.25 0.00 1.00 0.00 0.00 64.86 64.79 2kwb h ILE 7 Cb 1.18 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2kwb h ILE 7 CO 0.63 0.14 -2.01 0.49 0.00 0.00 0.00 178.15 177.40 2kwb n PHE 8 N -4.43 0.00 -0.38 1.37 3.01 -1.26 -4.57 117.46 111.19 2kwb n PHE 8 Ca 0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.56 2kwb n PHE 8 Cb 0.11 -0.72 0.24 0.00 -0.01 0.00 0.00 39.48 39.10 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2kwb n THR 9 N -2.52 1.27 -0.28 4.37 -1.04 -1.24 -4.62 114.28 110.22 2kwb n THR 9 Ca -0.23 -1.12 0.20 0.00 -2.04 0.00 0.00 64.05 60.85 2kwb n THR 9 Cb 0.95 0.36 0.49 0.00 -1.82 0.00 0.00 70.33 70.31 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 2.91 0.46 0.00 8.00 3.58 -1.64 -0.02 116.42 129.72 2kwb h ASP 10 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kwb h ASP 10 Cb 0.99 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kwb h ASP 10 CO 0.06 0.15 0.08 -0.78 -2.88 0.00 0.00 179.24 175.88 2kwb h ASP 11 N 0.44 0.00 0.43 2.28 3.58 -1.87 0.22 116.42 121.50 2kwb h ASP 11 Ca 0.52 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.67 2kwb h ASP 11 Cb 1.26 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 2kwb h ASP 11 CO -0.23 0.00 -1.79 -0.62 -2.88 0.00 0.00 179.24 173.72 2kwb n GLU 12 N -2.96 0.64 -3.17 0.28 1.02 -0.03 -5.06 120.64 111.35 2kwb n GLU 12 Ca -0.03 0.26 -0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2kwb n GLU 12 Cb 0.14 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.02 -3.71 -4.95 -4.62 7.94 0.77 -4.97 117.00 104.45 2kwb n LEU 13 Ca -0.19 0.46 -0.19 0.00 -1.11 0.00 0.00 56.01 54.98 2kwb n LEU 13 Cb 1.06 -1.59 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 2kwb n LEU 13 CO 0.45 -1.55 0.07 -0.55 -1.11 0.00 0.00 177.39 174.70 2kwb s SER 14 N -0.93 5.40 0.03 1.96 0.15 -1.04 -4.92 113.70 114.36 2kwb s SER 14 Ca -0.00 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2kwb s SER 14 Cb 0.00 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 2kwb s SER 14 CO 0.01 -0.68 -0.05 -0.94 1.20 0.00 0.00 173.24 172.78 2kwb s SER 15 N -4.23 0.56 0.29 5.45 1.04 -1.26 -0.57 113.70 114.98 2kwb s SER 15 Ca 0.51 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2kwb s SER 15 Cb -0.07 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2kwb s SER 15 CO 0.30 -0.26 0.37 -0.62 0.98 0.00 0.00 173.24 174.01 2kwb s ASP 16 N -1.54 0.72 -0.02 7.02 2.15 0.76 -4.96 116.67 120.80 2kwb s ASP 16 Ca -0.13 -1.42 0.03 0.00 0.43 0.00 0.00 52.55 51.47 2kwb s ASP 16 Cb -0.10 0.57 0.05 0.00 -0.30 0.00 0.00 42.92 43.14 2kwb s ASP 16 CO -0.00 -1.13 0.87 -1.54 -0.17 0.00 0.00 175.17 173.20 2kwb n SER 17 N -1.01 0.67 -4.38 -0.34 3.41 -1.26 0.15 113.62 110.85 2kwb n SER 17 Ca 0.02 -1.89 -0.35 0.00 -0.26 0.00 0.00 58.87 56.39 2kwb n SER 17 Cb 0.63 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.63 3.00 -0.60 7.33 0.08 -1.26 -4.84 117.98 121.06 2kwb s PHE 18 Ca 0.06 -0.68 -0.27 0.00 0.12 0.00 0.00 56.93 56.15 2kwb s PHE 18 Cb 0.05 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2kwb s PHE 18 CO 0.01 -0.40 1.62 -2.14 -0.10 0.00 0.00 175.22 174.20 2kwb s PRO 19 N 1.30 2.99 0.39 0.24 0.02 -1.26 -5.01 135.00 133.67 2kwb s PRO 19 Ca 0.04 0.48 -0.11 0.00 0.02 0.00 0.00 61.00 61.42 2kwb s PRO 19 Cb -0.15 -4.26 -0.07 0.00 0.02 0.00 0.00 34.50 30.05 2kwb s PRO 19 CO -0.00 -2.32 0.77 0.00 -0.33 0.00 0.00 177.00 175.12 2kwb s MET 20 N 6.24 3.82 -0.24 5.54 0.23 -1.26 -5.07 119.30 128.56 2kwb s MET 20 Ca 0.58 0.52 -0.12 0.00 -1.03 0.00 0.00 55.69 55.65 2kwb s MET 20 Cb -0.12 -2.39 -0.05 0.00 -1.53 0.00 0.00 34.83 30.74 2kwb s MET 20 CO 0.22 -0.01 0.21 0.15 -2.03 0.00 0.00 175.02 173.56 2kwb s LYS 21 N -3.70 4.06 -0.74 3.16 1.02 -1.07 -4.93 119.74 117.53 2kwb s LYS 21 Ca 0.52 -0.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.04 2kwb s LYS 21 Cb -0.10 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 2kwb s LYS 21 CO 0.29 -0.01 1.38 -1.17 -0.92 0.00 0.00 175.35 174.92 2kwb s LEU 22 N 1.27 3.20 0.08 3.17 2.96 -1.26 -0.14 118.68 127.96 2kwb s LEU 22 Ca 0.09 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 2kwb s LEU 22 Cb -0.14 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 2kwb s LEU 22 CO 0.06 -1.90 0.35 0.54 -1.32 0.00 0.00 176.35 174.08 2kwb s VAL 23 N 6.21 5.18 0.00 1.68 0.11 0.12 -4.22 120.40 129.48 2kwb s VAL 23 Ca 0.41 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 2kwb s VAL 23 Cb -0.08 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 2kwb s VAL 23 CO 0.14 0.22 0.00 -0.67 -3.33 0.00 0.00 175.10 171.46 2kwb n ASP 24 N 0.66 -4.26 -1.70 3.54 2.03 -1.26 -2.33 116.55 113.24 2kwb n ASP 24 Ca -0.07 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.05 2kwb n ASP 24 Cb 0.52 -2.78 -0.07 0.00 -0.72 0.00 0.00 41.12 38.07 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 -0.64 -5.11 0.00 1.67 9.92 -1.26 -4.75 116.55 116.38 2kwb n ASP 25 Ca 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2kwb n ASP 25 Cb 0.32 -4.50 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kwb n LEU 26 N -2.38 0.97 -4.13 0.64 7.94 -0.98 -5.02 117.00 114.02 2kwb n LEU 26 Ca -0.20 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.56 2kwb n LEU 26 Cb 0.64 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.47 2kwb n LEU 26 CO 0.29 0.07 -0.41 0.68 -1.11 0.00 0.00 177.39 176.90 2kwb s VAL 27 N -1.71 0.78 -0.05 1.96 -7.23 -1.00 -2.32 120.40 110.82 2kwb s VAL 27 Ca 0.00 -1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 2kwb s VAL 27 Cb 0.00 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2kwb s VAL 27 CO 0.00 -0.50 0.48 -0.31 -0.31 0.00 0.00 175.10 174.47 2kwb s TYR 28 N -2.07 3.63 -0.16 2.82 2.02 0.90 0.14 117.35 124.62 2kwb s TYR 28 Ca -0.00 1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 57.63 2kwb s TYR 28 Cb -0.05 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 2kwb s TYR 28 CO -0.00 0.37 0.04 -1.83 -1.57 0.00 0.00 175.55 172.56 2kwb s GLU 29 N -0.14 3.77 -0.11 -0.62 -1.05 0.80 -2.03 118.70 119.32 2kwb s GLU 29 Ca 0.26 -0.37 -0.01 0.00 -0.15 0.00 0.00 54.97 54.71 2kwb s GLU 29 Cb -0.16 -3.11 0.03 0.00 -0.44 0.00 0.00 34.13 30.45 2kwb s GLU 29 CO 0.13 0.35 -0.05 0.12 0.95 0.00 0.00 175.26 176.76 2kwb s PHE 30 N 0.13 1.32 -0.19 4.83 5.36 -0.67 -2.61 117.98 126.16 2kwb s PHE 30 Ca 0.04 -0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 55.25 2kwb s PHE 30 Cb -0.12 -1.15 -0.05 0.00 -0.34 0.00 0.00 43.02 41.36 2kwb s PHE 30 CO 0.01 -0.49 0.10 0.21 -1.46 0.00 0.00 175.22 173.59 2kwb s LYS 31 N 1.76 4.05 0.00 10.12 2.20 -1.26 -0.25 119.74 136.36 2kwb s LYS 31 Ca 0.04 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2kwb s LYS 31 Cb -0.13 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2kwb s LYS 31 CO -0.08 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 2kwb n GLY 32 N 3.42 7.60 3.79 5.54 0.00 -1.23 -5.02 105.19 119.29 2kwb n GLY 32 Ca -0.16 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 2kwb n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwb s LYS 33 N 0.98 2.51 -0.47 1.61 -0.14 -1.26 -4.56 119.74 118.41 2kwb s LYS 33 Ca 0.00 -1.47 -0.16 0.00 -1.36 0.00 0.00 55.97 52.98 2kwb s LYS 33 Cb 0.00 -2.30 0.06 0.00 -1.68 0.00 0.00 37.83 33.91 2kwb s LYS 33 CO 0.00 0.07 0.44 -1.58 -0.76 0.00 0.00 175.35 173.52 2kwb s HIS 34 N -2.39 3.19 0.07 3.18 5.65 -1.26 -0.51 115.29 123.22 2kwb s HIS 34 Ca 0.40 -0.73 0.00 0.00 0.25 0.00 0.00 55.06 54.98 2kwb s HIS 34 Cb -0.03 -3.15 -0.04 0.00 -1.18 0.00 0.00 32.58 28.18 2kwb s HIS 34 CO 0.25 -0.81 -0.05 0.14 -0.65 0.00 0.00 174.74 173.62 2kwb s VAL 35 N 1.92 0.44 -0.03 0.89 -7.23 0.22 -4.76 120.40 111.87 2kwb s VAL 35 Ca 0.08 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 2kwb s VAL 35 Cb -0.22 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2kwb s VAL 35 CO 0.09 -0.92 -0.15 0.68 -0.31 0.00 0.00 175.10 174.49 2kwb s VAL 36 N -3.68 1.25 -0.23 1.32 -7.23 -1.26 -0.51 120.40 110.05 2kwb s VAL 36 Ca 0.08 -0.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2kwb s VAL 36 Cb 0.06 -1.06 0.06 0.00 0.56 0.00 0.00 36.38 36.00 2kwb s VAL 36 CO -0.07 0.36 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.42 2kwb s ARG 37 N -0.13 1.65 0.26 4.82 3.52 0.93 -4.44 118.95 125.56 2kwb s ARG 37 Ca 0.01 -0.95 0.07 0.00 -0.13 0.00 0.00 55.73 54.74 2kwb s ARG 37 Cb -0.08 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2kwb s ARG 37 CO 0.01 -0.57 0.19 0.15 -0.81 0.00 0.00 175.30 174.27 2kwb s LYS 38 N 1.41 2.87 0.43 5.12 1.02 -0.85 -2.24 119.74 127.51 2kwb s LYS 38 Ca -0.05 -1.10 0.20 0.00 0.02 0.00 0.00 55.97 55.04 2kwb s LYS 38 Cb -0.18 -2.53 1.14 0.00 -0.52 0.00 0.00 37.83 35.74 2kwb s LYS 38 CO -0.06 0.37 1.85 0.93 -0.92 0.00 0.00 175.35 177.52 2kwb h GLU 39 N 1.49 0.34 -0.00 1.68 3.07 -2.01 -2.97 114.58 116.18 2kwb h GLU 39 Ca -0.48 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.19 2kwb h GLU 39 Cb 1.24 -0.08 -0.33 0.00 -0.84 0.00 0.00 28.75 28.74 2kwb h GLU 39 CO 0.60 0.22 -0.87 0.41 -1.40 0.00 0.00 179.01 177.98 2kwb n GLY 40 N -1.54 0.89 2.98 -3.84 0.00 -1.26 -5.11 105.19 97.32 2kwb n GLY 40 Ca 0.20 -0.66 -0.11 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 -0.02 0.25 -0.36 1.61 -6.30 -1.12 -5.13 118.70 107.62 2kwb s GLU 41 Ca 0.26 -0.31 0.05 0.00 -2.50 0.00 0.00 54.97 52.47 2kwb s GLU 41 Cb 0.30 0.10 0.17 0.00 0.00 0.00 0.00 34.13 34.70 2kwb s GLU 41 CO -0.13 -0.05 0.48 -1.50 0.02 0.00 0.00 175.26 174.08 2kwb s ILE 42 N -0.89 -0.66 -0.32 -3.70 1.10 -1.26 -2.02 121.20 113.46 2kwb s ILE 42 Ca -0.10 -0.45 0.01 0.00 -0.51 0.00 0.00 60.65 59.60 2kwb s ILE 42 Cb -0.06 -0.54 0.10 0.00 0.15 0.00 0.00 42.46 42.11 2kwb s ILE 42 CO -0.00 -0.29 0.07 0.68 -2.11 0.00 0.00 174.94 173.29 2kwb s VAL 43 N 1.89 1.48 0.20 4.00 -7.23 -1.26 -5.03 120.40 114.46 2kwb s VAL 43 Ca 0.15 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 2kwb s VAL 43 Cb -0.11 -2.08 0.12 0.00 0.56 0.00 0.00 36.38 34.88 2kwb s VAL 43 CO -0.12 -0.60 1.78 -0.07 -0.31 0.00 0.00 175.10 175.78 2kwb h LEU 44 N 7.89 0.38 -2.48 1.32 4.07 -1.86 -2.33 115.31 122.29 2kwb h LEU 44 Ca -0.10 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2kwb h LEU 44 Cb 1.02 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 2kwb h LEU 44 CO 0.49 0.25 0.03 0.00 -1.08 0.00 0.00 178.44 178.12 2kwb n ALA 45 N -2.38 3.23 -1.56 1.53 0.00 -1.26 -4.58 120.51 115.49 2kwb n ALA 45 Ca 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2kwb n ALA 45 Cb 0.19 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 0.82 -0.19 0.15 0.00 0.00 -0.88 -4.76 105.19 100.34 2kwb n GLY 46 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.36 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwb n SER 47 N 18.48 0.44 0.29 1.61 3.41 -1.26 -4.18 113.62 132.40 2kwb n SER 47 Ca 0.47 -1.89 -0.16 0.00 -0.26 0.00 0.00 58.87 57.02 2kwb n SER 47 Cb 0.43 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 2kwb n SER 47 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kwb h ASN 48 N 0.50 -0.59 -2.15 4.04 -0.26 -2.01 -3.34 115.58 111.76 2kwb h ASN 48 Ca 0.00 -0.02 -0.69 0.00 -0.56 0.00 0.00 56.30 55.03 2kwb h ASN 48 Cb 0.11 0.15 -0.16 0.00 -1.06 0.00 0.00 38.32 37.36 2kwb h ASN 48 CO 0.00 -0.35 1.05 -2.16 -1.06 0.00 0.00 177.43 174.91 2kwb s PRO 49 N -5.64 3.69 -0.29 0.81 0.05 -1.26 -4.80 135.00 127.56 2kwb s PRO 49 Ca -0.16 -1.82 -0.01 0.00 0.05 0.00 0.00 61.00 59.07 2kwb s PRO 49 Cb 0.03 -5.02 0.19 0.00 0.05 0.00 0.00 34.50 29.76 2kwb s PRO 49 CO 0.59 -1.84 0.76 -1.54 0.05 0.00 0.00 177.00 175.01 2kwb s SER 50 N 3.70 -1.18 0.00 6.66 1.04 -1.26 -4.98 113.70 117.69 2kwb s SER 50 Ca 0.37 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2kwb s SER 50 Cb -0.04 1.77 0.00 0.00 0.10 0.00 0.00 66.02 67.86 2kwb s SER 50 CO -0.08 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 173.93 2kwb n ALA 51 N 5.33 0.00 -0.07 5.32 0.00 -1.26 -4.79 120.51 125.04 2kwb n ALA 51 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2kwb n ALA 51 Cb 0.55 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2kwb n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kwb h GLU 52 N 0.35 0.00 -0.98 0.00 4.81 -1.94 -3.47 114.58 113.36 2kwb h GLU 52 Ca 0.00 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 2kwb h GLU 52 Cb 0.34 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.56 2kwb h GLU 52 CO 0.00 0.57 -0.37 0.39 -0.73 0.00 0.00 179.01 178.87 2kwb n GLU 53 N -4.66 -1.47 0.13 1.92 -0.58 -1.26 -4.83 120.64 109.89 2kwb n GLU 53 Ca -0.08 1.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.96 2kwb n GLU 53 Cb 0.31 -5.57 0.51 0.00 -0.57 0.00 0.00 31.44 26.11 2kwb n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kwb n GLY 54 N -0.33 -1.15 0.17 0.62 0.00 -1.26 -1.62 105.19 101.62 2kwb n GLY 54 Ca -0.20 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb h ALA 55 N 2.20 0.80 0.00 4.61 0.00 -2.03 -3.47 119.26 121.36 2kwb h ALA 55 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kwb h ALA 55 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kwb h ALA 55 CO 0.00 0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.48 2kwb n GLU 56 N -2.99 0.00 -0.96 0.00 2.13 -0.64 -4.95 120.64 113.23 2kwb n GLU 56 Ca 0.02 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.51 2kwb n GLU 56 Cb 0.58 -0.10 0.14 0.00 0.27 0.00 0.00 31.44 32.33 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kwb n ASP 57 N 1.54 0.31 -4.31 4.31 9.92 -1.26 -4.86 116.55 122.20 2kwb n ASP 57 Ca 0.00 0.51 -0.43 0.00 -0.53 0.00 0.00 54.79 54.34 2kwb n ASP 57 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 2kwb n ASP 57 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kwb n ASP 58 N -3.11 4.86 0.00 -2.24 9.92 -1.26 -4.65 116.55 120.06 2kwb n ASP 58 Ca 0.12 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.43 2kwb n ASP 58 Cb 0.51 -1.65 0.00 0.00 -0.64 0.00 0.00 41.12 39.34 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 4.46 2.13 3.57 0.44 0.00 -1.26 -4.91 105.19 109.61 2kwb n GLY 59 Ca 0.45 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 2kwb n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 60 N 0.11 3.92 -0.04 1.61 1.04 -1.26 -4.76 113.70 114.32 2kwb s SER 60 Ca 0.00 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 2kwb s SER 60 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kwb s SER 60 CO 0.00 -4.00 -0.01 -2.24 0.98 0.00 0.00 173.24 167.97 2kwb h ASP 61 N 12.11 0.00 0.00 7.02 2.03 -1.96 -3.44 116.42 132.18 2kwb h ASP 61 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2kwb h ASP 61 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2kwb h ASP 61 CO 1.04 0.19 0.00 1.21 -1.03 0.00 0.00 179.24 180.65 2kwb n GLU 62 N -3.05 -0.12 -3.21 4.15 2.13 -1.26 -5.02 120.64 114.27 2kwb n GLU 62 Ca -0.00 -0.41 -0.15 0.00 0.66 0.00 0.00 57.16 57.25 2kwb n GLU 62 Cb 0.01 -0.77 0.07 0.00 0.27 0.00 0.00 31.44 31.02 2kwb n GLU 62 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kwb n HIS 63 N -0.05 -1.92 -4.03 4.31 -0.00 -1.26 -5.04 115.22 107.23 2kwb n HIS 63 Ca 0.00 0.76 -0.22 0.00 -0.00 0.00 0.00 57.72 58.26 2kwb n HIS 63 Cb 0.17 -4.32 -0.03 0.00 -0.00 0.00 0.00 29.99 25.80 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2kwb s VAL 64 N -3.27 4.89 -1.59 3.57 1.01 -1.26 -5.00 120.40 118.75 2kwb s VAL 64 Ca 0.17 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2kwb s VAL 64 Cb -0.07 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2kwb s VAL 64 CO 0.57 -0.31 2.88 -0.62 0.00 0.00 0.00 175.10 177.62 2kwb n GLU 65 N -1.18 3.79 -4.13 2.72 1.02 -0.95 -4.92 120.64 116.99 2kwb n GLU 65 Ca -0.08 -2.36 -0.31 0.00 -0.02 0.00 0.00 57.16 54.38 2kwb n GLU 65 Cb 0.57 -2.80 -0.07 0.00 -0.02 0.00 0.00 31.44 29.12 2kwb n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kwb s ARG 66 N 1.81 2.78 0.00 3.49 1.04 -1.26 -0.05 118.95 126.76 2kwb s ARG 66 Ca 0.67 -0.70 0.00 0.00 -1.04 0.00 0.00 55.73 54.67 2kwb s ARG 66 Cb 0.18 -2.67 0.00 0.00 -2.04 0.00 0.00 34.95 30.42 2kwb s ARG 66 CO -0.06 0.58 0.00 0.41 -0.04 0.00 0.00 175.30 176.18 2kwb n GLY 67 N 0.76 0.83 3.46 3.88 0.00 0.33 -4.96 105.19 109.49 2kwb n GLY 67 Ca -0.11 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N 0.00 3.46 0.45 -0.61 -4.36 -1.26 -0.61 121.20 118.28 2kwb s ILE 68 Ca 0.00 -0.53 0.22 0.00 -0.26 0.00 0.00 60.65 60.09 2kwb s ILE 68 Cb 0.00 -2.47 0.42 0.00 1.25 0.00 0.00 42.46 41.66 2kwb s ILE 68 CO 0.00 0.53 1.85 -0.78 0.24 0.00 0.00 174.94 176.78 2kwb h ASP 69 N 6.37 0.28 -0.62 4.36 3.58 -1.07 -2.33 116.42 126.98 2kwb h ASP 69 Ca -0.33 0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.29 2kwb h ASP 69 Cb 1.19 -0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.11 2kwb h ASP 69 CO 0.57 0.10 -0.12 0.40 -2.88 0.00 0.00 179.24 177.31 2kwb h ILE 70 N 0.27 0.40 0.01 2.25 2.04 -1.94 0.63 117.51 121.17 2kwb h ILE 70 Ca 0.48 -0.01 -0.26 0.00 1.00 0.00 0.00 64.86 66.07 2kwb h ILE 70 Cb 1.42 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 2kwb h ILE 70 CO -0.14 0.00 -1.41 -0.37 0.00 0.00 0.00 178.15 176.24 2kwb h VAL 71 N 0.02 1.22 -0.00 1.67 -1.51 -1.78 -3.27 116.25 112.60 2kwb h VAL 71 Ca 0.31 -3.01 -0.00 0.00 -1.23 0.00 0.00 66.70 62.77 2kwb h VAL 71 Cb 0.48 2.61 -0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2kwb h VAL 71 CO -0.62 0.71 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.36 2kwb h LEU 72 N 0.00 0.00 -1.32 4.19 3.38 -1.22 0.14 115.31 120.49 2kwb h LEU 72 Ca -0.17 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2kwb h LEU 72 Cb 1.91 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2kwb h LEU 72 CO 0.10 0.39 0.34 -1.13 0.09 0.00 0.00 178.44 178.24 2kwb h ASN 73 N -0.39 0.71 -0.59 -0.43 -0.73 -1.05 -2.59 115.58 110.51 2kwb h ASN 73 Ca 0.00 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2kwb h ASN 73 Cb 0.39 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.80 2kwb h ASN 73 CO 0.00 0.56 0.00 1.41 -0.37 0.00 0.00 177.43 179.03 2kwb n HIS 74 N -4.40 0.78 -3.26 0.67 8.25 -1.20 -5.00 115.22 111.05 2kwb n HIS 74 Ca 0.06 -0.40 -0.07 0.00 -0.26 0.00 0.00 57.72 57.04 2kwb n HIS 74 Cb 0.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kwb n LYS 75 N 1.57 -1.39 -4.59 -0.41 4.76 -0.18 -4.81 118.16 113.12 2kwb n LYS 75 Ca 0.22 1.28 -0.33 0.00 -2.87 0.00 0.00 58.31 56.62 2kwb n LYS 75 Cb 0.61 -4.86 -0.15 0.00 -1.84 0.00 0.00 35.03 28.79 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 -4.31 2.45 0.25 -0.35 1.43 0.33 -1.83 118.68 116.65 2kwb s LEU 76 Ca 0.02 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 2kwb s LEU 76 Cb -0.00 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 2kwb s LEU 76 CO 0.79 0.09 0.84 0.54 0.23 0.00 0.00 176.35 178.84 2kwb s VAL 77 N 0.76 4.34 0.00 -1.59 0.11 0.11 -4.76 120.40 119.37 2kwb s VAL 77 Ca -0.06 1.66 -0.30 0.00 -2.93 0.00 0.00 61.98 60.35 2kwb s VAL 77 Cb -0.15 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 2kwb s VAL 77 CO 0.01 0.28 1.07 -1.83 -3.33 0.00 0.00 175.10 171.29 2kwb s GLU 78 N -1.76 4.49 0.17 1.54 -1.05 -1.26 -2.39 118.70 118.44 2kwb s GLU 78 Ca 0.44 1.54 0.01 0.00 -0.15 0.00 0.00 54.97 56.82 2kwb s GLU 78 Cb -0.20 -3.44 -0.04 0.00 -0.44 0.00 0.00 34.13 30.01 2kwb s GLU 78 CO 0.24 -0.17 0.03 -1.64 0.95 0.00 0.00 175.26 174.67 2kwb s MET 79 N 1.22 1.09 -0.04 -4.83 -1.94 0.11 -5.01 119.30 109.91 2kwb s MET 79 Ca 0.54 -1.53 -0.07 0.00 -1.71 0.00 0.00 55.69 52.92 2kwb s MET 79 Cb -0.24 -0.13 0.01 0.00 2.01 0.00 0.00 34.83 36.48 2kwb s MET 79 CO 0.27 -0.18 0.17 1.21 -0.01 0.00 0.00 175.02 176.47 2kwb s ASN 80 N -3.16 -0.12 0.51 3.03 2.47 -1.26 -2.53 114.94 113.89 2kwb s ASN 80 Ca 0.25 0.18 0.42 0.00 0.42 0.00 0.00 52.86 54.13 2kwb s ASN 80 Cb 0.07 0.31 1.63 0.00 -1.45 0.00 0.00 41.25 41.80 2kwb s ASN 80 CO 0.04 -0.16 1.60 0.00 -3.72 0.00 0.00 177.10 174.86 2kwb h TYR 82 N 0.01 0.24 0.00 0.00 -0.00 -2.01 -2.40 116.97 112.81 2kwb h TYR 82 Ca 0.89 0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 59.64 2kwb h TYR 82 Cb 3.29 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 40.01 2kwb h TYR 82 CO -0.00 -0.04 -1.83 -0.85 -0.00 0.00 0.00 178.16 175.44 2kwb n GLU 83 N -5.13 0.57 0.29 0.10 0.28 -1.08 -4.44 120.64 111.23 2kwb n GLU 83 Ca 0.11 -0.16 0.17 0.00 -0.16 0.00 0.00 57.16 57.12 2kwb n GLU 83 Cb 0.36 -1.42 0.85 0.00 1.43 0.00 0.00 31.44 32.66 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2kwb h ASP 84 N 0.00 0.00 -0.88 -1.84 5.19 -1.42 -2.48 116.42 114.98 2kwb h ASP 84 Ca -0.02 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.57 2kwb h ASP 84 Cb 0.87 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.28 2kwb h ASP 84 CO 0.00 0.06 0.44 0.00 -3.12 0.00 0.00 179.24 176.62 2kwb h ALA 85 N 1.94 1.38 -0.58 3.45 0.00 -1.66 0.16 119.26 123.96 2kwb h ALA 85 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2kwb h ALA 85 Cb 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kwb h ALA 85 CO 0.01 -0.19 0.26 1.03 0.00 0.00 0.00 179.25 180.36 2kwb h SER 86 N 0.55 0.79 -0.48 0.00 0.87 -1.76 -0.82 113.55 112.70 2kwb h SER 86 Ca 0.51 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 2kwb h SER 86 Cb 0.84 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2kwb h SER 86 CO -0.43 0.72 0.13 -0.03 -0.53 0.00 0.00 176.83 176.70 2kwb h MET 87 N 0.80 0.75 -0.03 2.24 -1.53 -1.11 -2.61 114.93 113.44 2kwb h MET 87 Ca 0.20 -0.17 -0.07 0.00 -3.44 0.00 0.00 59.70 56.21 2kwb h MET 87 Cb 0.16 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 2kwb h MET 87 CO -0.02 0.72 -0.33 0.74 0.14 0.00 0.00 176.91 178.16 2kwb h PHE 88 N 0.64 0.06 0.14 1.39 0.04 -0.65 0.14 116.94 118.69 2kwb h PHE 88 Ca 0.15 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.92 2kwb h PHE 88 Cb 0.30 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2kwb h PHE 88 CO 0.02 0.38 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.69 2kwb h LYS 89 N 0.05 -0.39 -0.55 1.51 3.64 -0.77 0.23 116.57 120.28 2kwb h LYS 89 Ca 0.00 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2kwb h LYS 89 Cb 0.61 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2kwb h LYS 89 CO 0.04 -0.26 0.01 0.00 -2.27 0.00 0.00 179.45 176.98 2kwb h ALA 90 N 0.38 0.74 0.47 5.00 0.00 -1.31 -2.52 119.26 122.03 2kwb h ALA 90 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2kwb h ALA 90 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kwb h ALA 90 CO -0.09 0.55 -0.34 -0.92 0.00 0.00 0.00 179.25 178.45 2kwb h TYR 91 N 0.84 -0.91 -0.31 0.00 3.20 -0.52 -2.67 116.97 116.59 2kwb h TYR 91 Ca 0.16 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 2kwb h TYR 91 Cb 0.52 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 2kwb h TYR 91 CO 0.04 -0.48 0.22 0.82 -1.64 0.00 0.00 178.16 177.11 2kwb h ILE 92 N -0.77 0.92 0.19 1.81 1.08 -0.64 0.55 117.51 120.66 2kwb h ILE 92 Ca -0.06 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2kwb h ILE 92 Cb 0.63 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2kwb h ILE 92 CO 0.03 0.03 -0.14 0.50 -0.69 0.00 0.00 178.15 177.88 2kwb h LYS 93 N 0.15 -0.30 -0.73 2.37 3.64 -1.25 0.12 116.57 120.57 2kwb h LYS 93 Ca 0.14 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2kwb h LYS 93 Cb 0.37 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2kwb h LYS 93 CO -0.02 -0.20 0.28 -0.22 -2.27 0.00 0.00 179.45 177.02 2kwb h LYS 94 N -0.31 1.11 0.18 1.90 1.63 -1.31 -2.82 116.57 116.93 2kwb h LYS 94 Ca -0.03 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.58 2kwb h LYS 94 Cb 0.26 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2kwb h LYS 94 CO 0.01 0.91 -0.32 0.35 -3.45 0.00 0.00 179.45 176.96 2kwb h PHE 95 N 1.06 -0.86 -0.19 1.91 3.57 -0.91 -1.58 116.94 119.94 2kwb h PHE 95 Ca 0.24 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 2kwb h PHE 95 Cb 0.23 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 2kwb h PHE 95 CO 0.02 -0.43 -0.06 1.98 -2.23 0.00 0.00 178.31 177.58 2kwb h MET 96 N -0.57 -0.02 -0.66 1.11 4.05 -0.67 0.54 114.93 118.71 2kwb h MET 96 Ca 0.02 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2kwb h MET 96 Cb 0.58 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 2kwb h MET 96 CO -0.15 -0.02 0.27 -0.22 0.23 0.00 0.00 176.91 177.02 2kwb h LYS 97 N -0.03 0.95 0.00 0.39 3.64 -1.42 -1.90 116.57 118.20 2kwb h LYS 97 Ca 0.10 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2kwb h LYS 97 Cb 0.17 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2kwb h LYS 97 CO -0.21 0.77 -0.35 -0.97 -2.27 0.00 0.00 179.45 176.42 2kwb h ASN 98 N 0.94 0.30 -0.48 4.20 -0.00 -0.84 -2.52 115.58 117.19 2kwb h ASN 98 Ca 0.22 -0.78 -0.07 0.00 -0.00 0.00 0.00 56.30 55.67 2kwb h ASN 98 Cb 0.17 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 2kwb h ASN 98 CO -0.02 1.05 0.04 -0.37 -0.00 0.00 0.00 177.43 178.12 2kwb h VAL 99 N -0.41 1.26 -0.43 2.57 -1.51 -0.88 -0.72 116.25 116.12 2kwb h VAL 99 Ca -0.04 -1.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.37 2kwb h VAL 99 Cb 1.10 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 2kwb h VAL 99 CO 0.07 0.35 0.05 0.40 -1.23 0.00 0.00 177.57 177.21 2kwb h ILE 100 N 0.69 1.25 -0.93 7.19 1.08 -1.47 -1.96 117.51 123.35 2kwb h ILE 100 Ca 0.14 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.76 2kwb h ILE 100 Cb 0.46 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 2kwb h ILE 100 CO 0.02 0.32 0.60 -0.78 -0.69 0.00 0.00 178.15 177.62 2kwb h ASP 101 N 0.58 0.93 0.65 1.72 3.58 -1.26 0.35 116.42 122.96 2kwb h ASP 101 Ca 0.13 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2kwb h ASP 101 Cb 0.40 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kwb h ASP 101 CO 0.01 0.58 -0.31 -0.74 -2.88 0.00 0.00 179.24 175.91 2kwb h HIS 102 N 1.05 -0.81 0.00 0.28 2.76 -0.85 -2.57 115.15 115.01 2kwb h HIS 102 Ca 0.41 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.49 2kwb h HIS 102 Cb 0.22 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2kwb h HIS 102 CO -0.00 -0.49 -0.33 1.98 -1.30 0.00 0.00 177.93 177.79 2kwb h MET 103 N -0.91 0.00 0.00 5.26 1.85 -1.02 -2.62 114.93 117.49 2kwb h MET 103 Ca -0.09 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 58.94 2kwb h MET 103 Cb 0.68 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 2kwb h MET 103 CO 0.15 0.33 -0.31 1.49 -0.40 0.00 0.00 176.91 178.17 2kwb h GLU 104 N 0.00 0.00 -0.14 0.39 4.81 -0.25 -2.88 114.58 116.51 2kwb h GLU 104 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2kwb h GLU 104 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2kwb h GLU 104 CO 0.04 0.31 -0.67 -0.22 -0.73 0.00 0.00 179.01 177.74 2kwb h LYS 105 N 0.00 0.56 0.00 1.92 3.64 -1.06 -2.94 116.57 118.70 2kwb h LYS 105 Ca -0.00 -0.42 -0.26 0.00 -1.27 0.00 0.00 60.65 58.70 2kwb h LYS 105 Cb 0.66 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2kwb h LYS 105 CO 0.04 1.04 -1.45 -2.95 -2.27 0.00 0.00 179.45 173.86 2kwb h ASN 106 N 0.40 0.00 0.00 4.20 -1.07 -1.64 -3.45 115.58 114.02 2kwb h ASN 106 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2kwb h ASN 106 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2kwb h ASN 106 CO 0.13 0.99 0.00 -3.20 0.07 0.00 0.00 177.43 175.42 2kwb n ASN 107 N -3.15 0.00 0.00 6.14 2.85 -1.09 -4.99 115.26 115.02 2kwb n ASN 107 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2kwb n ASN 107 Cb 1.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.03 2kwb n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2kwb n ARG 108 N -1.76 0.00 -3.00 1.20 0.63 -1.11 -4.85 116.66 107.77 2kwb n ARG 108 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 2kwb n ARG 108 Cb 0.00 -1.14 -0.00 0.00 0.45 0.00 0.00 32.46 31.77 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kwb s ASP 109 N 0.00 7.10 0.00 6.15 2.15 -1.26 -4.88 116.67 125.93 2kwb s ASP 109 Ca 0.00 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 49.92 2kwb s ASP 109 Cb 0.00 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2kwb s ASP 109 CO 0.00 -0.69 0.00 2.29 -0.17 0.00 0.00 175.17 176.60 2kwb n LYS 110 N 5.29 0.00 -0.26 4.34 2.85 -1.26 -4.24 118.16 124.87 2kwb n LYS 110 Ca 0.35 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.60 2kwb n LYS 110 Cb 0.42 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.82 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kwb n ALA 111 N 0.00 -0.11 -0.10 0.58 0.00 -1.26 -0.46 120.51 119.16 2kwb n ALA 111 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 53.44 53.87 2kwb n ALA 111 Cb 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 2kwb n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwb n ASP 112 N -4.98 1.98 -0.18 0.00 8.00 -1.26 -3.95 116.55 116.16 2kwb n ASP 112 Ca 0.07 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.74 2kwb n ASP 112 Cb 0.26 -0.74 0.23 0.00 -0.02 0.00 0.00 41.12 40.85 2kwb n ASP 112 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2kwb h VAL 113 N -0.47 1.20 -0.48 2.53 -1.51 -1.76 0.85 116.25 116.61 2kwb h VAL 113 Ca -0.54 -0.54 -0.09 0.00 -1.23 0.00 0.00 66.70 64.30 2kwb h VAL 113 Cb 1.73 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 2kwb h VAL 113 CO -0.18 0.23 -0.06 -0.78 -1.23 0.00 0.00 177.57 175.55 2kwb h ASP 114 N 0.92 0.89 -0.08 4.19 3.58 -0.99 0.47 116.42 125.40 2kwb h ASP 114 Ca 0.23 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2kwb h ASP 114 Cb 0.05 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2kwb h ASP 114 CO -0.04 1.02 0.03 0.00 -2.88 0.00 0.00 179.24 177.37 2kwb h ALA 115 N 0.90 0.11 -0.21 -0.78 0.00 -1.56 -0.77 119.26 116.95 2kwb h ALA 115 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2kwb h ALA 115 Cb 0.60 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2kwb h ALA 115 CO 0.04 -0.28 0.05 0.35 0.00 0.00 0.00 179.25 179.41 2kwb h PHE 116 N -0.05 0.09 -0.30 0.00 3.57 -0.79 0.13 116.94 119.59 2kwb h PHE 116 Ca 0.03 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2kwb h PHE 116 Cb 0.21 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 2kwb h PHE 116 CO -0.00 0.04 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.72 2kwb h LYS 117 N 0.14 -0.14 -0.86 1.11 3.11 -0.86 -0.46 116.57 118.62 2kwb h LYS 117 Ca 0.09 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.00 2kwb h LYS 117 Cb 0.08 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.29 2kwb h LYS 117 CO -0.12 -0.09 0.56 -0.22 -2.81 0.00 0.00 179.45 176.77 2kwb h LYS 118 N -0.14 0.94 0.63 1.90 3.11 -0.60 0.19 116.57 122.60 2kwb h LYS 118 Ca 0.16 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2kwb h LYS 118 Cb 0.38 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2kwb h LYS 118 CO -0.38 0.62 -0.30 0.87 -2.81 0.00 0.00 179.45 177.45 2kwb h LYS 119 N 0.97 -0.82 -0.11 1.90 1.79 0.26 -1.78 116.57 118.78 2kwb h LYS 119 Ca 0.37 0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.78 2kwb h LYS 119 Cb 0.19 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2kwb h LYS 119 CO -0.13 -0.54 -0.43 0.97 -1.08 0.00 0.00 179.45 178.24 2kwb h ILE 120 N -0.98 1.32 -0.05 1.86 6.09 -1.02 -1.75 117.51 122.97 2kwb h ILE 120 Ca -0.09 -1.56 -0.00 0.00 -1.37 0.00 0.00 64.86 61.84 2kwb h ILE 120 Cb 0.65 1.70 -0.00 0.00 0.47 0.00 0.00 36.82 39.64 2kwb h ILE 120 CO 0.14 0.47 0.02 -0.61 -3.07 0.00 0.00 178.15 175.10 2kwb h GLN 121 N 0.21 0.07 -0.88 2.19 5.75 -0.72 -1.49 115.11 120.25 2kwb h GLN 121 Ca 0.02 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2kwb h GLN 121 Cb 0.84 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.32 2kwb h GLN 121 CO 0.07 0.19 0.57 0.78 -2.65 0.00 0.00 178.83 177.79 2kwb h GLY 122 N -0.06 1.27 0.98 2.39 0.00 -1.09 0.12 103.07 106.66 2kwb h GLY 122 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2kwb h GLY 122 CO -0.00 0.28 -0.25 -0.25 0.00 0.00 0.00 176.54 176.31 2kwb h TRP 123 N 0.98 -0.66 -0.59 5.60 7.01 -1.02 -1.74 115.95 125.53 2kwb h TRP 123 Ca 0.38 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.28 2kwb h TRP 123 Cb 0.23 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 2kwb h TRP 123 CO -0.00 -0.40 0.04 -0.39 -2.79 0.00 0.00 178.44 174.90 2kwb h VAL 124 N -0.75 1.26 -0.65 2.65 -1.51 -1.05 0.19 116.25 116.40 2kwb h VAL 124 Ca -0.07 -1.09 0.03 0.00 -1.23 0.00 0.00 66.70 64.34 2kwb h VAL 124 Cb 0.56 0.81 -0.04 0.00 -2.13 0.00 0.00 31.29 30.50 2kwb h VAL 124 CO 0.12 0.39 0.43 0.58 -1.23 0.00 0.00 177.57 177.87 2kwb h VAL 125 N 0.90 1.11 0.01 7.19 2.07 -0.98 0.74 116.25 127.29 2kwb h VAL 125 Ca 0.17 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2kwb h VAL 125 Cb 0.50 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2kwb h VAL 125 CO 0.02 0.15 -0.31 0.28 0.02 0.00 0.00 177.57 177.73 2kwb h SER 126 N 0.80 0.25 -0.48 0.57 0.02 -1.01 -3.27 113.55 110.42 2kwb h SER 126 Ca 0.26 -0.81 -0.03 0.00 -0.84 0.00 0.00 61.79 60.37 2kwb h SER 126 Cb 0.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2kwb h SER 126 CO -0.07 1.03 0.22 0.25 -1.14 0.00 0.00 176.83 177.12 2kwb h LEU 127 N -0.50 0.68 -0.94 5.07 5.85 -0.24 -2.25 115.31 122.98 2kwb h LEU 127 Ca -0.04 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kwb h LEU 127 Cb 1.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2kwb h LEU 127 CO 0.06 0.61 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 2kwb n LEU 128 N -4.35 1.42 -4.58 2.25 4.77 0.22 -4.73 117.00 112.01 2kwb n LEU 128 Ca 0.04 -0.56 -0.26 0.00 -0.03 0.00 0.00 56.01 55.20 2kwb n LEU 128 Cb 0.15 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2kwb n LEU 128 CO 0.38 0.28 1.42 0.00 -1.33 0.00 0.00 177.39 178.14 2kwb s ALA 129 N -1.86 1.57 0.26 -1.18 0.00 -0.85 -4.82 121.76 114.88 2kwb s ALA 129 Ca 0.34 -1.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.34 2kwb s ALA 129 Cb 0.18 -4.66 0.54 0.00 0.00 0.00 0.00 23.12 19.18 2kwb s ALA 129 CO 0.28 -5.42 1.67 0.87 0.00 0.00 0.00 175.76 173.16 2kwb h LYS 130 N 10.29 0.25 -0.89 0.00 1.57 -1.88 0.54 116.57 126.45 2kwb h LYS 130 Ca 0.17 -0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.16 2kwb h LYS 130 Cb 0.96 -0.06 -0.16 0.00 0.08 0.00 0.00 32.23 33.05 2kwb h LYS 130 CO 1.19 0.17 0.05 -0.44 -0.57 0.00 0.00 179.45 179.84 2kwb h ASP 131 N 0.26 -0.36 0.00 0.86 3.32 -1.99 0.80 116.42 119.30 2kwb h ASP 131 Ca 0.46 0.24 -0.21 0.00 0.02 0.00 0.00 57.03 57.54 2kwb h ASP 131 Cb 0.83 0.40 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2kwb h ASP 131 CO -0.56 -0.26 -1.77 -2.11 -1.72 0.00 0.00 179.24 172.83 2kwb n ARG 132 N -5.40 0.33 0.00 3.56 1.85 -1.13 -4.66 116.66 111.20 2kwb n ARG 132 Ca 0.19 0.09 0.08 0.00 -1.00 0.00 0.00 57.85 57.21 2kwb n ARG 132 Cb 0.64 -1.21 0.38 0.00 -1.05 0.00 0.00 32.46 31.22 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kwb n PHE 133 N -3.05 0.00 0.27 2.89 3.01 0.17 -2.37 117.46 118.37 2kwb n PHE 133 Ca -0.25 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.39 2kwb n PHE 133 Cb 0.74 -0.41 0.90 0.00 -0.01 0.00 0.00 39.48 40.71 2kwb n PHE 133 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2kwb h LYS 134 N 0.00 0.00 0.00 -1.08 2.10 -0.98 -1.82 116.57 114.79 2kwb h LYS 134 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kwb h LYS 134 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2kwb n ASN 135 N -3.34 0.00 -4.86 7.07 3.02 -1.00 -4.82 115.26 111.33 2kwb n ASN 135 Ca -0.00 -1.34 -0.33 0.00 -0.03 0.00 0.00 54.58 52.89 2kwb n ASN 135 Cb 0.31 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kwb s LEU 136 N -1.39 4.17 0.02 3.41 1.43 -0.69 -4.97 118.68 120.66 2kwb s LEU 136 Ca 0.16 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2kwb s LEU 136 Cb 0.07 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2kwb s LEU 136 CO 0.12 -0.08 0.05 0.00 0.23 0.00 0.00 176.35 176.67 2kwb s ALA 137 N -1.79 3.46 -0.17 4.21 0.00 -1.07 -4.85 121.76 121.55 2kwb s ALA 137 Ca 0.47 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 2kwb s ALA 137 Cb -0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2kwb s ALA 137 CO 0.20 0.69 -0.11 -0.06 0.00 0.00 0.00 175.76 176.48 2kwb s PHE 138 N -1.20 2.86 -0.09 0.00 0.08 -1.05 -1.91 117.98 116.66 2kwb s PHE 138 Ca 0.23 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2kwb s PHE 138 Cb -0.12 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2kwb s PHE 138 CO 0.15 -0.40 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.66 2kwb s PHE 139 N 0.84 1.81 0.15 0.36 0.40 -1.07 0.07 117.98 120.55 2kwb s PHE 139 Ca -0.03 -0.76 0.10 0.00 -0.60 0.00 0.00 56.93 55.64 2kwb s PHE 139 Cb -0.15 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2kwb s PHE 139 CO 0.00 -0.38 -0.24 -1.50 0.70 0.00 0.00 175.22 173.81 2kwb s ILE 140 N 0.77 2.13 0.26 0.64 2.07 -1.01 -0.51 121.20 125.56 2kwb s ILE 140 Ca -0.12 -1.85 -0.30 0.00 -1.41 0.00 0.00 60.65 56.98 2kwb s ILE 140 Cb -0.16 -1.95 -0.14 0.00 0.13 0.00 0.00 42.46 40.35 2kwb s ILE 140 CO 0.02 -0.07 1.24 0.61 -1.91 0.00 0.00 174.94 174.83 2kwb n GLY 141 N 0.61 0.35 0.33 1.50 0.00 -1.26 -0.71 105.19 106.00 2kwb n GLY 141 Ca -0.16 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 3.21 0.80 0.18 1.61 4.81 -1.68 -0.27 114.58 123.25 2kwb h GLU 142 Ca -0.44 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.51 2kwb h GLU 142 Cb 1.31 -0.18 0.03 0.00 0.63 0.00 0.00 28.75 30.53 2kwb h GLU 142 CO 0.69 0.53 -1.05 0.00 -0.73 0.00 0.00 179.01 178.45 2kwb h ARG 143 N 0.83 0.37 0.13 1.92 -0.00 -1.90 -3.22 114.38 112.50 2kwb h ARG 143 Ca 0.46 -0.64 0.01 0.00 -0.50 0.00 0.00 59.98 59.32 2kwb h ARG 143 Cb 0.51 0.24 -0.02 0.00 0.00 0.00 0.00 29.97 30.69 2kwb h ARG 143 CO -0.29 1.30 -0.20 0.00 0.00 0.00 0.00 179.97 180.78 2kwb h ALA 144 N 0.10 -0.36 -0.04 0.04 0.00 -1.83 0.70 119.26 117.87 2kwb h ALA 144 Ca -0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kwb h ALA 144 Cb 1.81 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 2kwb h ALA 144 CO 0.19 -0.74 0.06 0.00 0.00 0.00 0.00 179.25 178.76 2kwb h ALA 145 N 0.39 1.51 0.00 0.00 0.00 -1.19 0.11 119.26 120.09 2kwb h ALA 145 Ca 0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2kwb h ALA 145 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2kwb h ALA 145 CO -0.10 -0.08 -1.76 -1.91 0.00 0.00 0.00 179.25 175.40 2kwb n GLU 146 N -3.70 0.64 -0.09 0.00 2.13 -0.90 -4.54 120.64 114.17 2kwb n GLU 146 Ca -0.02 0.24 -0.21 0.00 0.66 0.00 0.00 57.16 57.83 2kwb n GLU 146 Cb 0.14 -1.75 -0.12 0.00 0.27 0.00 0.00 31.44 29.98 2kwb n GLU 146 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2kwb h GLY 147 N 3.62 0.02 -6.21 8.31 0.00 0.00 -3.48 103.07 105.34 2kwb h GLY 147 Ca -0.30 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 2kwb h GLY 147 CO 0.07 0.06 -0.48 0.00 0.00 0.00 0.00 176.54 176.18 2kwb s ALA 148 N -2.36 -0.66 0.32 3.60 0.00 0.32 -5.02 121.76 117.96 2kwb s ALA 148 Ca -0.27 1.07 0.37 0.00 0.00 0.00 0.00 51.96 53.13 2kwb s ALA 148 Cb 0.05 -0.92 1.92 0.00 0.00 0.00 0.00 23.12 24.17 2kwb s ALA 148 CO 0.62 -0.48 2.12 1.05 0.00 0.00 0.00 175.76 179.07 2kwb h GLU 149 N 7.82 0.00 -2.04 0.00 9.09 -1.81 -3.09 114.58 124.55 2kwb h GLU 149 Ca -0.25 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.09 2kwb h GLU 149 Cb 1.13 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.20 2kwb h GLU 149 CO 0.22 0.00 -0.14 0.09 0.05 0.00 0.00 179.01 179.24 2kwb n ASN 150 N -2.83 4.79 -4.83 3.06 3.02 -1.26 -4.85 115.26 112.36 2kwb n ASN 150 Ca -0.02 -2.32 -0.22 0.00 -0.03 0.00 0.00 54.58 51.99 2kwb n ASN 150 Cb 0.10 -1.14 0.09 0.00 -0.61 0.00 0.00 39.78 38.22 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 2.04 1.73 -0.33 7.41 0.00 -1.17 -4.83 107.32 112.17 2kwb s GLY 151 Ca 0.27 -2.00 -0.14 0.00 0.00 0.00 0.00 44.72 42.85 2kwb s GLY 151 CO 0.00 -1.45 0.30 1.62 0.00 0.00 0.00 173.10 173.57 2kwb s GLN 152 N -4.95 3.58 0.21 2.90 0.74 -1.26 -4.81 119.66 116.07 2kwb s GLN 152 Ca 0.65 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 55.29 2kwb s GLN 152 Cb -0.05 -3.79 -0.08 0.00 1.10 0.00 0.00 33.01 30.19 2kwb s GLN 152 CO 0.42 -0.46 0.90 0.08 -0.55 0.00 0.00 175.29 175.69 2kwb s VAL 153 N 1.88 4.18 -0.14 1.34 1.01 -1.26 -4.43 120.40 122.98 2kwb s VAL 153 Ca 0.09 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.95 2kwb s VAL 153 Cb -0.17 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2kwb s VAL 153 CO 0.11 0.49 0.22 0.00 0.00 0.00 0.00 175.10 175.93 2kwb s ALA 154 N -1.08 3.70 -0.16 5.51 0.00 0.34 -4.96 121.76 125.10 2kwb s ALA 154 Ca 0.40 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 2kwb s ALA 154 Cb -0.25 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2kwb s ALA 154 CO 0.30 0.28 0.72 0.42 0.00 0.00 0.00 175.76 177.48 2kwb s ILE 155 N -0.08 4.97 -0.36 0.00 -1.09 -1.05 -2.58 121.20 121.01 2kwb s ILE 155 Ca 0.15 1.41 -0.05 0.00 -2.23 0.00 0.00 60.65 59.92 2kwb s ILE 155 Cb -0.13 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.78 2kwb s ILE 155 CO 0.03 0.10 0.14 -0.63 -1.23 0.00 0.00 174.94 173.36 2kwb s ILE 156 N 1.80 3.64 0.22 2.92 -1.09 -0.80 -0.39 121.20 127.50 2kwb s ILE 156 Ca 0.34 -1.43 0.05 0.00 -2.23 0.00 0.00 60.65 57.39 2kwb s ILE 156 Cb -0.16 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2kwb s ILE 156 CO 0.13 -0.34 0.25 -0.70 -1.23 0.00 0.00 174.94 173.05 2kwb s GLU 157 N 1.33 3.16 -0.25 2.79 2.12 -0.01 -2.59 118.70 125.26 2kwb s GLU 157 Ca 0.01 -0.87 -0.01 0.00 0.36 0.00 0.00 54.97 54.45 2kwb s GLU 157 Cb -0.21 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.47 2kwb s GLU 157 CO 0.01 0.44 -0.07 1.52 -0.54 0.00 0.00 175.26 176.61 2kwb s TYR 158 N -1.98 3.07 0.34 5.30 -0.85 -1.26 0.42 117.35 122.40 2kwb s TYR 158 Ca 0.33 -1.62 -0.28 0.00 -0.52 0.00 0.00 57.07 54.98 2kwb s TYR 158 Cb -0.09 -2.04 -0.10 0.00 0.38 0.00 0.00 41.96 40.11 2kwb s TYR 158 CO 0.27 -0.75 1.23 0.50 -1.52 0.00 0.00 175.55 175.28 2kwb s ARG 159 N 1.30 4.30 -0.63 -3.49 6.06 0.18 -4.58 118.95 122.10 2kwb s ARG 159 Ca -0.00 2.04 -0.27 0.00 -2.50 0.00 0.00 55.73 55.00 2kwb s ARG 159 Cb -0.17 -2.97 0.02 0.00 0.06 0.00 0.00 34.95 31.89 2kwb s ARG 159 CO -0.05 -0.17 1.38 -0.51 -2.50 0.00 0.00 175.30 173.45 2kwb s ASP 160 N -0.73 6.10 -0.64 -2.12 1.11 -1.26 -1.36 116.67 117.76 2kwb s ASP 160 Ca 0.51 0.01 -0.04 0.00 0.18 0.00 0.00 52.55 53.20 2kwb s ASP 160 Cb -0.36 -2.55 0.17 0.00 1.07 0.00 0.00 42.92 41.25 2kwb s ASP 160 CO 0.47 -1.79 0.47 -0.69 1.18 0.00 0.00 175.17 174.81 2kwb s VAL 161 N 6.08 3.92 -1.98 -1.27 1.01 0.20 -4.69 120.40 123.68 2kwb s VAL 161 Ca 0.46 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.57 2kwb s VAL 161 Cb -0.09 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2kwb s VAL 161 CO 0.21 -0.89 0.00 0.47 0.00 0.00 0.00 175.10 174.89 2kwb n ASP 162 N 3.58 -5.07 0.00 3.32 8.00 -1.26 -0.23 116.55 124.89 2kwb n ASP 162 Ca 0.08 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2kwb n ASP 162 Cb 0.39 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 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 -0.32 2.27 3.63 0.44 0.00 -1.26 -5.08 105.19 104.88 2kwb n GLY 163 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.18 4.76 -0.68 2.61 2.01 0.68 -5.01 115.64 117.84 2kwb s THR 164 Ca 0.00 1.52 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 2kwb s THR 164 Cb 0.00 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.38 2kwb s THR 164 CO 0.00 -0.20 1.07 -1.61 -0.69 0.00 0.00 174.62 173.19 2kwb s GLU 165 N 3.03 3.15 0.09 4.92 2.02 -1.26 -0.63 118.70 130.02 2kwb s GLU 165 Ca 0.36 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.73 2kwb s GLU 165 Cb -0.14 -4.20 -0.05 0.00 0.10 0.00 0.00 34.13 29.84 2kwb s GLU 165 CO 0.10 -1.91 0.27 0.14 0.02 0.00 0.00 175.26 173.88 2kwb s VAL 166 N 4.61 5.31 0.31 2.63 -7.23 -0.47 -4.77 120.40 120.79 2kwb s VAL 166 Ca 0.27 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 2kwb s VAL 166 Cb -0.14 -3.62 -0.12 0.00 0.56 0.00 0.00 36.38 33.06 2kwb s VAL 166 CO 0.12 0.11 1.54 -0.81 -0.31 0.00 0.00 175.10 175.75 2kwb n PRO 167 N 0.25 2.59 -3.53 4.82 -0.04 -1.26 0.52 135.00 138.35 2kwb n PRO 167 Ca -0.04 0.92 -0.21 0.00 -0.04 0.00 0.00 63.50 64.12 2kwb n PRO 167 Cb 0.51 -2.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.17 2kwb n PRO 167 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kwb s THR 168 N -0.28 -0.24 0.30 0.52 2.01 0.17 -3.58 115.64 114.54 2kwb s THR 168 Ca 0.62 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 2kwb s THR 168 Cb -0.51 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.22 2kwb s THR 168 CO 0.52 -0.28 0.85 -0.22 -0.69 0.00 0.00 174.62 174.80 2kwb s LEU 169 N 2.25 4.28 -0.10 4.42 2.96 0.65 -0.83 118.68 132.32 2kwb s LEU 169 Ca 0.06 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 2kwb s LEU 169 Cb -0.16 -3.91 0.01 0.00 0.50 0.00 0.00 46.19 42.63 2kwb s LEU 169 CO -0.14 -0.07 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.64 2kwb s MET 170 N -2.21 2.03 -0.04 1.98 -1.94 0.48 -1.67 119.30 117.94 2kwb s MET 170 Ca 0.49 -0.50 0.01 0.00 -1.71 0.00 0.00 55.69 53.98 2kwb s MET 170 Cb -0.16 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 34.97 2kwb s MET 170 CO 0.21 -0.04 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.62 2kwb s LEU 171 N 0.93 1.35 -0.07 -0.03 1.43 -0.86 -2.52 118.68 118.90 2kwb s LEU 171 Ca -0.08 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2kwb s LEU 171 Cb -0.15 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 2kwb s LEU 171 CO -0.00 -0.05 0.99 -0.69 0.23 0.00 0.00 176.35 176.82 2kwb s VAL 172 N 0.88 4.82 -0.55 -1.59 1.01 -1.26 -0.07 120.40 123.64 2kwb s VAL 172 Ca -0.12 2.02 0.24 0.00 0.00 0.00 0.00 61.98 64.12 2kwb s VAL 172 Cb -0.14 -4.30 0.26 0.00 0.00 0.00 0.00 36.38 32.19 2kwb s VAL 172 CO 0.00 0.06 1.73 2.29 0.00 0.00 0.00 175.10 179.18 2kwb n LYS 173 N 4.65 0.21 0.04 2.72 -0.00 -0.98 -0.82 118.16 123.97 2kwb n LYS 173 Ca 0.08 0.37 0.13 0.00 -0.00 0.00 0.00 58.31 58.89 2kwb n LYS 173 Cb 0.49 -1.85 0.51 0.00 -0.00 0.00 0.00 35.03 34.18 2kwb n LYS 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kwb n GLU 174 N -2.23 0.09 -0.09 -1.58 4.71 -1.26 -3.89 120.64 116.39 2kwb n GLU 174 Ca 0.03 0.07 -0.18 0.00 -0.01 0.00 0.00 57.16 57.07 2kwb n GLU 174 Cb 0.27 -1.60 -0.13 0.00 -1.01 0.00 0.00 31.44 28.97 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kwb n ALA 175 N -1.60 1.28 -4.08 0.62 0.00 0.00 -4.75 120.51 111.98 2kwb n ALA 175 Ca 0.06 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.22 2kwb n ALA 175 Cb 0.37 -0.29 -0.15 0.00 0.00 0.00 0.00 19.45 19.38 2kwb n ALA 175 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kwb s ILE 176 N -2.53 2.14 -0.14 0.00 -4.36 -0.56 -0.84 121.20 114.91 2kwb s ILE 176 Ca -0.29 -1.35 -0.15 0.00 -0.26 0.00 0.00 60.65 58.59 2kwb s ILE 176 Cb 0.08 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2kwb s ILE 176 CO 0.67 0.20 0.37 -0.51 0.24 0.00 0.00 174.94 175.90 2kwb s ILE 177 N 1.18 5.25 0.21 8.37 -1.16 -0.55 -4.53 121.20 129.98 2kwb s ILE 177 Ca -0.03 0.71 -0.04 0.00 -0.51 0.00 0.00 60.65 60.78 2kwb s ILE 177 Cb -0.17 -3.71 -0.05 0.00 0.61 0.00 0.00 42.46 39.14 2kwb s ILE 177 CO -0.08 0.37 0.45 -1.83 -2.81 0.00 0.00 174.94 171.04 2kwb s GLU 178 N 0.47 3.60 -0.33 3.50 4.04 -1.26 -1.00 118.70 127.72 2kwb s GLU 178 Ca 0.20 -0.12 0.01 0.00 0.04 0.00 0.00 54.97 55.11 2kwb s GLU 178 Cb -0.14 -2.77 0.10 0.00 0.02 0.00 0.00 34.13 31.35 2kwb s GLU 178 CO 0.07 0.35 0.09 -1.21 -1.84 0.00 0.00 175.26 172.72 2kwb s GLU 179 N -3.18 1.06 -0.82 -4.83 2.02 0.12 -4.98 118.70 108.10 2kwb s GLU 179 Ca 0.42 -1.47 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 2kwb s GLU 179 Cb -0.11 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.66 2kwb s GLU 179 CO 0.27 -0.98 1.33 0.21 0.02 0.00 0.00 175.26 176.11 2kwb s LYS 180 N 1.23 3.30 -0.46 1.61 2.20 -1.26 -2.53 119.74 123.84 2kwb s LYS 180 Ca 0.11 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2kwb s LYS 180 Cb -0.19 -4.53 0.14 0.00 -1.51 0.00 0.00 37.83 31.75 2kwb s LYS 180 CO -0.17 -2.17 0.27 0.00 -0.36 0.00 0.00 175.35 172.92 2kwb s LEU 182 N 0.18 5.67 0.00 0.00 1.02 -1.26 -4.82 118.68 119.47 2kwb s LEU 182 Ca 0.20 -2.55 0.29 0.00 0.02 0.00 0.00 54.13 52.09 2kwb s LEU 182 Cb -0.19 -1.96 1.33 0.00 0.02 0.00 0.00 46.19 45.38 2kwb s LEU 182 CO -0.03 -0.50 1.90 1.21 0.02 0.00 0.00 176.35 178.95