#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 3.92 -0.00 4.03 2.96 -0.62 -4.55 118.68 124.43 2kwb s LEU 2 Ca 0.00 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 2kwb s LEU 2 Cb 0.00 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2kwb s LEU 2 CO 0.00 0.23 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.38 2kwb s ILE 3 N -1.29 1.94 0.23 6.68 1.01 -0.79 -0.48 121.20 128.50 2kwb s ILE 3 Ca 0.26 -1.11 0.10 0.00 0.00 0.00 0.00 60.65 59.91 2kwb s ILE 3 Cb -0.12 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 2kwb s ILE 3 CO 0.18 0.49 -0.18 -0.72 0.00 0.00 0.00 174.94 174.71 2kwb s TYR 4 N -0.62 2.03 -0.16 3.97 -0.85 0.07 0.05 117.35 121.84 2kwb s TYR 4 Ca 0.10 -0.43 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 2kwb s TYR 4 Cb -0.09 -0.93 0.06 0.00 0.38 0.00 0.00 41.96 41.38 2kwb s TYR 4 CO -0.00 0.52 0.08 -1.59 -1.52 0.00 0.00 175.55 173.04 2kwb s LYS 5 N -3.37 0.15 0.77 -3.49 -2.85 -0.20 -2.25 119.74 108.51 2kwb s LYS 5 Ca 0.25 -0.09 -0.11 0.00 -1.00 0.00 0.00 55.97 55.01 2kwb s LYS 5 Cb -0.04 -1.75 0.06 0.00 -2.06 0.00 0.00 37.83 34.04 2kwb s LYS 5 CO 0.11 -0.63 1.09 -0.51 0.10 0.00 0.00 175.35 175.51 2kwb s ASP 6 N 2.09 4.72 0.00 0.03 1.11 -1.25 -1.03 116.67 122.35 2kwb s ASP 6 Ca 0.02 1.30 0.02 0.00 0.18 0.00 0.00 52.55 54.07 2kwb s ASP 6 Cb -0.16 -2.06 0.07 0.00 1.07 0.00 0.00 42.92 41.85 2kwb s ASP 6 CO -0.08 -1.82 1.04 2.30 1.18 0.00 0.00 175.17 177.79 2kwb n ILE 7 N -3.34 1.84 -0.06 0.77 -5.35 0.50 -0.38 119.36 113.33 2kwb n ILE 7 Ca 0.07 0.46 -0.06 0.00 -0.27 0.00 0.00 62.75 62.95 2kwb n ILE 7 Cb 0.56 -1.43 -0.10 0.00 -1.74 0.00 0.00 39.64 36.94 2kwb n ILE 7 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2kwb n PHE 8 N -1.49 0.00 0.66 4.28 3.72 -1.26 -4.72 117.46 118.65 2kwb n PHE 8 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2kwb n PHE 8 Cb 0.02 -0.60 0.08 0.00 -0.94 0.00 0.00 39.48 38.04 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 -2.48 0.17 0.23 4.37 -1.04 -0.48 -4.34 114.28 110.72 2kwb n THR 9 Ca -0.20 -0.20 0.12 0.00 -2.04 0.00 0.00 64.05 61.73 2kwb n THR 9 Cb 0.89 0.19 0.66 0.00 -1.82 0.00 0.00 70.33 70.26 2kwb n THR 9 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2kwb h ASP 10 N 0.00 0.00 -0.16 8.00 3.04 -0.98 0.80 116.42 127.12 2kwb h ASP 10 Ca 0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 2kwb h ASP 10 Cb 0.68 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.97 2kwb h ASP 10 CO 0.00 0.00 -0.12 -0.78 -2.04 0.00 0.00 179.24 176.30 2kwb h ASP 11 N 0.00 0.38 0.00 4.15 3.58 -1.85 -3.37 116.42 119.30 2kwb h ASP 11 Ca 0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2kwb h ASP 11 Cb 0.38 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kwb h ASP 11 CO 0.00 0.75 0.00 -0.62 -2.88 0.00 0.00 179.24 176.49 2kwb n GLU 12 N -4.57 -0.01 -1.17 0.28 1.02 -0.79 -5.13 120.64 110.27 2kwb n GLU 12 Ca -0.06 -0.41 0.15 0.00 -0.02 0.00 0.00 57.16 56.82 2kwb n GLU 12 Cb 0.34 -0.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.79 2kwb n GLU 12 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kwb n LEU 13 N -0.12 -0.72 -3.76 -4.62 7.99 0.21 -5.01 117.00 110.98 2kwb n LEU 13 Ca 0.00 1.65 -0.12 0.00 -0.01 0.00 0.00 56.01 57.52 2kwb n LEU 13 Cb 0.01 -3.71 -0.12 0.00 -0.11 0.00 0.00 43.42 39.49 2kwb n LEU 13 CO 0.00 -2.40 -0.05 -0.44 -1.51 0.00 0.00 177.39 172.98 2kwb s SER 14 N -6.81 -0.31 -0.21 -1.43 0.01 -0.95 -5.00 113.70 99.00 2kwb s SER 14 Ca 0.00 0.60 -0.02 0.00 1.31 0.00 0.00 55.95 57.84 2kwb s SER 14 Cb 0.00 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2kwb s SER 14 CO 0.00 -0.12 -0.10 -0.94 0.41 0.00 0.00 173.24 172.48 2kwb s SER 15 N 0.51 3.88 0.00 2.44 1.04 -1.26 -0.75 113.70 119.56 2kwb s SER 15 Ca -0.03 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2kwb s SER 15 Cb -0.04 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2kwb s SER 15 CO -0.03 -0.03 0.00 0.47 0.98 0.00 0.00 173.24 174.63 2kwb n ASP 16 N 4.71 0.00 -3.26 7.02 8.00 0.37 -4.98 116.55 128.42 2kwb n ASP 16 Ca -0.19 -0.96 -0.06 0.00 0.71 0.00 0.00 54.79 54.29 2kwb n ASP 16 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 2kwb n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kwb s SER 17 N -0.90 -0.47 -0.12 -2.24 0.15 -1.26 -1.58 113.70 107.28 2kwb s SER 17 Ca 0.00 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.72 2kwb s SER 17 Cb 0.00 1.43 0.03 0.00 -1.71 0.00 0.00 66.02 65.77 2kwb s SER 17 CO 0.00 -0.23 -0.05 -0.36 1.20 0.00 0.00 173.24 173.80 2kwb s PHE 18 N 1.86 1.38 -0.91 3.44 0.08 -1.26 -5.07 117.98 117.49 2kwb s PHE 18 Ca 0.15 -0.72 -0.25 0.00 0.12 0.00 0.00 56.93 56.23 2kwb s PHE 18 Cb -0.09 -1.17 -0.11 0.00 -0.57 0.00 0.00 43.02 41.08 2kwb s PHE 18 CO -0.10 -0.51 2.15 -2.14 -0.10 0.00 0.00 175.22 174.53 2kwb s PRO 19 N 1.74 1.99 0.15 0.24 0.02 -1.26 -4.94 135.00 132.93 2kwb s PRO 19 Ca 0.04 -0.10 -0.09 0.00 0.02 0.00 0.00 61.00 60.87 2kwb s PRO 19 Cb -0.13 -4.96 -0.06 0.00 0.02 0.00 0.00 34.50 29.36 2kwb s PRO 19 CO -0.08 -4.15 0.45 -1.64 -0.33 0.00 0.00 177.00 171.25 2kwb s MET 20 N 7.88 3.74 -0.36 5.54 -1.94 -1.26 -4.83 119.30 128.08 2kwb s MET 20 Ca 0.80 0.14 -0.12 0.00 -1.71 0.00 0.00 55.69 54.81 2kwb s MET 20 Cb -0.08 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 33.92 2kwb s MET 20 CO 0.07 0.45 0.22 0.15 -0.01 0.00 0.00 175.02 175.90 2kwb s LYS 21 N -2.41 3.18 -1.02 2.03 3.01 0.21 -4.87 119.74 119.87 2kwb s LYS 21 Ca 0.40 -0.85 -0.23 0.00 -1.01 0.00 0.00 55.97 54.28 2kwb s LYS 21 Cb -0.13 -3.76 -0.00 0.00 -1.01 0.00 0.00 37.83 32.93 2kwb s LYS 21 CO 0.21 -0.56 1.74 -1.17 0.51 0.00 0.00 175.35 176.08 2kwb s LEU 22 N 1.65 3.35 0.18 3.17 2.96 -1.26 0.22 118.68 128.94 2kwb s LEU 22 Ca 0.04 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.39 2kwb s LEU 22 Cb -0.18 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.87 2kwb s LEU 22 CO 0.08 -2.17 0.96 0.54 -1.32 0.00 0.00 176.35 174.45 2kwb s VAL 23 N 7.70 4.25 -0.48 1.68 0.11 0.11 -3.32 120.40 130.46 2kwb s VAL 23 Ca 0.59 2.06 0.00 0.00 -2.93 0.00 0.00 61.98 61.70 2kwb s VAL 23 Cb -0.02 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.51 2kwb s VAL 23 CO -0.02 0.41 0.00 -0.67 -3.33 0.00 0.00 175.10 171.49 2kwb n ASP 24 N 2.10 -5.48 -1.64 3.54 2.03 -1.26 -2.11 116.55 113.73 2kwb n ASP 24 Ca 0.00 0.11 -0.15 0.00 0.52 0.00 0.00 54.79 55.27 2kwb n ASP 24 Cb 0.48 -3.38 -0.05 0.00 -0.72 0.00 0.00 41.12 37.45 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 -0.87 -4.07 0.00 1.67 8.00 -1.21 -4.75 116.55 115.31 2kwb n ASP 25 Ca -0.05 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2kwb n ASP 25 Cb 0.47 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 2kwb n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kwb n LEU 26 N -2.17 2.46 -4.01 0.64 7.94 -0.90 -4.92 117.00 116.04 2kwb n LEU 26 Ca -0.16 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.62 2kwb n LEU 26 Cb 0.52 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.35 2kwb n LEU 26 CO 0.22 0.41 -0.39 0.68 -1.11 0.00 0.00 177.39 177.20 2kwb s VAL 27 N -1.92 0.34 0.23 1.96 -7.23 -1.04 -0.75 120.40 111.99 2kwb s VAL 27 Ca 0.00 -0.82 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 2kwb s VAL 27 Cb 0.00 -0.42 -0.08 0.00 0.56 0.00 0.00 36.38 36.44 2kwb s VAL 27 CO 0.00 -0.32 0.72 -0.31 -0.31 0.00 0.00 175.10 174.87 2kwb s TYR 28 N -1.12 3.62 -0.04 2.82 1.51 0.80 0.05 117.35 124.99 2kwb s TYR 28 Ca -0.09 1.35 0.04 0.00 -1.01 0.00 0.00 57.07 57.36 2kwb s TYR 28 Cb -0.08 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 2kwb s TYR 28 CO -0.00 0.32 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.61 2kwb s GLU 29 N -2.07 1.55 -0.07 -0.62 2.12 0.13 -2.12 118.70 117.62 2kwb s GLU 29 Ca 0.44 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.25 2kwb s GLU 29 Cb -0.16 -1.37 0.02 0.00 0.26 0.00 0.00 34.13 32.87 2kwb s GLU 29 CO 0.21 0.22 -0.11 0.12 -0.54 0.00 0.00 175.26 175.15 2kwb s PHE 30 N 0.06 1.45 -0.24 5.30 5.36 -0.71 -0.62 117.98 128.57 2kwb s PHE 30 Ca -0.03 -0.56 -0.18 0.00 -0.96 0.00 0.00 56.93 55.20 2kwb s PHE 30 Cb -0.11 -1.09 -0.03 0.00 -0.34 0.00 0.00 43.02 41.46 2kwb s PHE 30 CO 0.02 -0.31 0.51 0.21 -1.46 0.00 0.00 175.22 174.18 2kwb s LYS 31 N 0.83 4.11 0.00 10.12 2.36 -1.26 -1.90 119.74 134.00 2kwb s LYS 31 Ca -0.11 0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.64 2kwb s LYS 31 Cb -0.15 -3.62 0.00 0.00 -1.05 0.00 0.00 37.83 33.01 2kwb s LYS 31 CO 0.02 -0.27 0.00 0.41 1.55 0.00 0.00 175.35 177.05 2kwb n GLY 32 N 4.22 5.51 3.28 5.54 0.00 -1.26 -5.07 105.19 117.41 2kwb n GLY 32 Ca -0.05 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 2kwb n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kwb s LYS 33 N 0.31 2.05 -0.52 1.61 2.20 -1.26 -4.95 119.74 119.18 2kwb s LYS 33 Ca 0.00 -0.87 -0.28 0.00 -0.36 0.00 0.00 55.97 54.46 2kwb s LYS 33 Cb 0.00 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.39 2kwb s LYS 33 CO 0.00 0.51 1.46 -1.58 -0.36 0.00 0.00 175.35 175.37 2kwb s HIS 34 N -0.52 2.25 0.21 4.03 5.65 -1.26 -2.49 115.29 123.16 2kwb s HIS 34 Ca 0.08 0.54 0.08 0.00 0.25 0.00 0.00 55.06 56.01 2kwb s HIS 34 Cb -0.10 -4.35 -0.05 0.00 -1.18 0.00 0.00 32.58 26.91 2kwb s HIS 34 CO -0.00 -2.04 -0.14 0.14 -0.65 0.00 0.00 174.74 172.05 2kwb s VAL 35 N 6.13 1.72 -0.27 0.89 -7.23 0.18 -4.70 120.40 117.11 2kwb s VAL 35 Ca 0.56 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2kwb s VAL 35 Cb -0.12 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 34.85 2kwb s VAL 35 CO 0.27 -0.59 0.03 0.68 -0.31 0.00 0.00 175.10 175.18 2kwb s VAL 36 N -2.98 1.21 -0.51 1.32 -7.23 -1.26 -0.70 120.40 110.25 2kwb s VAL 36 Ca 0.23 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.82 2kwb s VAL 36 Cb -0.01 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.24 2kwb s VAL 36 CO 0.07 -0.39 1.03 -0.13 -0.31 0.00 0.00 175.10 175.37 2kwb s ARG 37 N 1.49 3.52 -0.60 4.82 0.52 -0.57 -4.03 118.95 124.10 2kwb s ARG 37 Ca 0.03 0.16 -0.15 0.00 -0.52 0.00 0.00 55.73 55.25 2kwb s ARG 37 Cb -0.18 -3.97 0.15 0.00 0.52 0.00 0.00 34.95 31.47 2kwb s ARG 37 CO -0.14 -1.42 0.55 0.15 0.02 0.00 0.00 175.30 174.47 2kwb s LYS 38 N 4.20 3.10 -1.71 3.54 1.02 -0.22 -0.76 119.74 128.90 2kwb s LYS 38 Ca 0.39 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.48 2kwb s LYS 38 Cb -0.09 -4.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 2kwb s LYS 38 CO 0.26 -1.31 0.00 -1.91 -0.92 0.00 0.00 175.35 171.47 2kwb n GLU 39 N 4.90 -1.45 0.00 1.68 2.13 -1.26 -0.32 120.64 126.32 2kwb n GLU 39 Ca -0.07 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2kwb n GLU 39 Cb 0.42 -5.31 0.00 0.00 0.27 0.00 0.00 31.44 26.82 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kwb n GLY 40 N -0.21 0.81 3.89 8.31 0.00 -1.26 -5.12 105.19 111.60 2kwb n GLY 40 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2kwb n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwb s GLU 41 N -0.44 3.65 -0.40 1.61 0.41 0.57 -5.02 118.70 119.08 2kwb s GLU 41 Ca 0.00 -0.01 0.05 0.00 -0.41 0.00 0.00 54.97 54.60 2kwb s GLU 41 Cb 0.00 -2.95 0.59 0.00 -1.78 0.00 0.00 34.13 29.99 2kwb s GLU 41 CO 0.00 0.54 1.73 1.51 -0.49 0.00 0.00 175.26 178.55 2kwb n ILE 42 N 0.56 2.97 -2.36 -1.63 0.13 -1.26 -1.06 119.36 116.70 2kwb n ILE 42 Ca -0.06 -2.37 -0.36 0.00 -1.10 0.00 0.00 62.75 58.86 2kwb n ILE 42 Cb 0.52 -0.47 -0.03 0.00 -0.84 0.00 0.00 39.64 38.82 2kwb n ILE 42 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 2kwb s VAL 43 N -3.41 3.80 0.38 9.51 1.01 -1.26 -4.82 120.40 125.61 2kwb s VAL 43 Ca 0.53 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2kwb s VAL 43 Cb 0.45 -4.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 2kwb s VAL 43 CO 0.06 -1.57 0.54 -1.48 0.00 0.00 0.00 175.10 172.65 2kwb s LEU 44 N 7.05 3.85 0.00 3.92 0.05 -1.26 -4.79 118.68 127.49 2kwb s LEU 44 Ca 0.58 -0.07 0.20 0.00 0.05 0.00 0.00 54.13 54.89 2kwb s LEU 44 Cb -0.01 -2.86 -0.01 0.00 -2.05 0.00 0.00 46.19 41.27 2kwb s LEU 44 CO 0.01 -0.54 1.00 0.00 -0.55 0.00 0.00 176.35 176.27 2kwb n ALA 45 N -1.79 3.43 0.00 1.48 0.00 -1.26 -5.07 120.51 117.30 2kwb n ALA 45 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2kwb n ALA 45 Cb 0.58 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 1.32 -1.74 3.36 0.00 0.00 -1.26 -4.85 105.19 102.02 2kwb n GLY 46 Ca 0.08 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.63 2kwb n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwb s SER 47 N -3.93 6.19 -0.01 1.61 1.04 -1.26 -4.96 113.70 112.37 2kwb s SER 47 Ca 0.00 -1.48 0.04 0.00 0.48 0.00 0.00 55.95 54.99 2kwb s SER 47 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2kwb s SER 47 CO 0.00 -0.93 -0.12 0.21 0.98 0.00 0.00 173.24 173.37 2kwb s ASN 48 N 3.36 4.19 -0.32 7.02 3.84 -1.26 -5.01 114.94 126.77 2kwb s ASN 48 Ca 0.08 -0.23 -0.42 0.00 0.21 0.00 0.00 52.86 52.50 2kwb s ASN 48 Cb -0.26 -0.88 -0.18 0.00 -0.55 0.00 0.00 41.25 39.39 2kwb s ASN 48 CO 0.06 0.30 1.62 -2.65 -2.79 0.00 0.00 177.10 173.65 2kwb n PRO 49 N 1.88 0.65 -3.85 0.43 -0.02 -1.26 -4.95 135.00 127.88 2kwb n PRO 49 Ca -0.16 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2kwb n PRO 49 Cb 0.52 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 2kwb n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kwb s SER 50 N 2.93 5.04 -0.46 2.55 0.15 -1.26 -5.00 113.70 117.65 2kwb s SER 50 Ca 1.00 -1.37 0.06 0.00 0.70 0.00 0.00 55.95 56.33 2kwb s SER 50 Cb -1.24 -1.76 0.18 0.00 -1.71 0.00 0.00 66.02 61.49 2kwb s SER 50 CO 0.70 -0.32 0.53 0.00 1.20 0.00 0.00 173.24 175.35 2kwb n ALA 51 N 4.66 0.72 0.06 5.45 0.00 -1.26 -5.01 120.51 125.12 2kwb n ALA 51 Ca -0.11 -2.19 -0.21 0.00 0.00 0.00 0.00 53.44 50.93 2kwb n ALA 51 Cb 0.43 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 2kwb n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kwb h GLU 52 N 5.23 0.43 0.00 0.00 3.07 -2.01 -3.47 114.58 117.83 2kwb h GLU 52 Ca 0.16 -0.63 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2kwb h GLU 52 Cb 1.00 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2kwb h GLU 52 CO 0.22 1.27 0.00 -1.91 -1.40 0.00 0.00 179.01 177.19 2kwb n GLU 53 N -4.02 0.00 -3.76 2.33 4.07 -1.26 -4.26 120.64 113.74 2kwb n GLU 53 Ca -0.13 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.67 2kwb n GLU 53 Cb 0.86 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 32.11 2kwb n GLU 53 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2kwb s GLY 54 N 0.00 1.95 -0.25 8.31 0.00 -1.26 -5.07 107.32 111.00 2kwb s GLY 54 Ca 0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 44.72 41.83 2kwb s GLY 54 CO 0.00 1.43 0.06 0.00 0.00 0.00 0.00 173.10 174.58 2kwb s ALA 55 N -0.02 1.25 -0.62 3.20 0.00 -1.26 -5.06 121.76 119.25 2kwb s ALA 55 Ca 0.20 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2kwb s ALA 55 Cb -0.20 -1.38 0.16 0.00 0.00 0.00 0.00 23.12 21.71 2kwb s ALA 55 CO -0.03 -1.39 0.43 -1.21 0.00 0.00 0.00 175.76 173.55 2kwb s GLU 56 N 1.75 2.05 0.00 0.00 2.02 -1.26 -5.09 118.70 118.17 2kwb s GLU 56 Ca 0.03 -2.96 0.00 0.00 0.02 0.00 0.00 54.97 52.06 2kwb s GLU 56 Cb -0.17 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2kwb s GLU 56 CO -0.16 -1.28 0.00 -0.40 0.02 0.00 0.00 175.26 173.44 2kwb n ASP 57 N 2.35 1.21 0.00 -0.19 5.75 -1.26 -5.02 116.55 119.39 2kwb n ASP 57 Ca 0.19 -0.91 0.15 0.00 -0.01 0.00 0.00 54.79 54.21 2kwb n ASP 57 Cb 0.37 0.00 0.84 0.00 -1.03 0.00 0.00 41.12 41.30 2kwb n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kwb n ASP 58 N -1.64 0.00 -4.45 -1.12 2.03 -1.26 -4.75 116.55 105.37 2kwb n ASP 58 Ca 0.00 -0.53 -0.13 0.00 0.52 0.00 0.00 54.79 54.64 2kwb n ASP 58 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.14 2kwb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kwb n GLY 59 N 1.12 -0.36 3.41 0.27 0.00 -1.26 -4.77 105.19 103.59 2kwb n GLY 59 Ca 0.19 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 7.29 -0.51 -2.00 1.61 1.04 -1.26 -4.93 113.70 114.94 2kwb s SER 60 Ca 0.70 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2kwb s SER 60 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2kwb s SER 60 CO 0.17 -0.90 0.00 0.47 0.98 0.00 0.00 173.24 173.96 2kwb n ASP 61 N -0.17 -5.40 0.00 7.02 8.00 -1.26 -4.84 116.55 119.90 2kwb n ASP 61 Ca -0.17 0.47 0.11 0.00 0.71 0.00 0.00 54.79 55.90 2kwb n ASP 61 Cb 0.64 -4.55 0.55 0.00 -0.02 0.00 0.00 41.12 37.74 2kwb n ASP 61 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kwb n GLU 62 N -2.28 0.27 -4.08 -1.24 0.28 -1.26 -4.90 120.64 107.44 2kwb n GLU 62 Ca -0.19 0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.55 2kwb n GLU 62 Cb 0.64 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.97 2kwb n GLU 62 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2kwb n HIS 63 N -1.32 -1.59 -3.74 -1.84 1.44 -1.26 -4.94 115.22 101.97 2kwb n HIS 63 Ca 0.10 0.66 -0.36 0.00 -2.01 0.00 0.00 57.72 56.11 2kwb n HIS 63 Cb 0.19 -2.48 -0.10 0.00 0.12 0.00 0.00 29.99 27.72 2kwb n HIS 63 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kwb s VAL 64 N -3.13 5.03 -1.39 0.61 1.01 -1.26 -4.68 120.40 116.59 2kwb s VAL 64 Ca 0.68 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 2kwb s VAL 64 Cb -0.38 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2kwb s VAL 64 CO 0.83 0.35 2.38 -0.62 0.00 0.00 0.00 175.10 178.04 2kwb n GLU 65 N 4.39 2.86 -3.55 2.72 1.02 0.06 -4.89 120.64 123.25 2kwb n GLU 65 Ca -0.15 -2.33 -0.37 0.00 -0.02 0.00 0.00 57.16 54.28 2kwb n GLU 65 Cb 0.52 -3.06 -0.06 0.00 -0.02 0.00 0.00 31.44 28.81 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 3.16 4.04 0.00 3.49 1.70 -1.26 -1.50 118.95 128.58 2kwb s ARG 66 Ca 0.54 0.21 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 2kwb s ARG 66 Cb 0.15 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 2kwb s ARG 66 CO -0.05 0.45 0.00 0.41 -1.08 0.00 0.00 175.30 175.03 2kwb n GLY 67 N 2.66 -0.61 3.47 3.88 0.00 0.13 -4.96 105.19 109.75 2kwb n GLY 67 Ca -0.13 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N -1.53 3.55 0.62 -0.61 -4.36 -1.26 -0.65 121.20 116.97 2kwb s ILE 68 Ca 0.00 -0.49 0.31 0.00 -0.26 0.00 0.00 60.65 60.20 2kwb s ILE 68 Cb 0.00 -2.52 0.35 0.00 1.25 0.00 0.00 42.46 41.54 2kwb s ILE 68 CO 0.00 0.52 2.00 -0.78 0.24 0.00 0.00 174.94 176.93 2kwb h ASP 69 N 6.43 0.00 -0.12 4.36 3.58 -1.81 -2.00 116.42 126.86 2kwb h ASP 69 Ca -0.32 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2kwb h ASP 69 Cb 1.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 2kwb h ASP 69 CO 0.58 0.00 -0.38 0.40 -2.88 0.00 0.00 179.24 176.97 2kwb h ILE 70 N 0.00 0.20 0.01 2.25 2.04 -1.95 0.31 117.51 120.38 2kwb h ILE 70 Ca 0.08 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.71 2kwb h ILE 70 Cb 0.69 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2kwb h ILE 70 CO -0.00 0.00 -1.11 -0.37 0.00 0.00 0.00 178.15 176.67 2kwb h VAL 71 N -0.46 1.59 -0.40 1.67 -1.51 -1.77 -3.28 116.25 112.10 2kwb h VAL 71 Ca 0.08 -3.30 -0.07 0.00 -1.23 0.00 0.00 66.70 62.18 2kwb h VAL 71 Cb 0.60 2.81 -0.02 0.00 -2.13 0.00 0.00 31.29 32.55 2kwb h VAL 71 CO -0.38 0.92 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.78 2kwb h LEU 72 N 0.01 0.62 -0.93 4.19 3.38 -1.25 0.75 115.31 122.08 2kwb h LEU 72 Ca -0.06 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.87 2kwb h LEU 72 Cb 1.82 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.33 2kwb h LEU 72 CO 0.13 0.71 0.57 -1.13 0.09 0.00 0.00 178.44 178.82 2kwb h ASN 73 N 0.61 0.85 -0.03 -0.43 -0.73 -0.45 -1.77 115.58 113.63 2kwb h ASN 73 Ca 0.12 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.33 2kwb h ASN 73 Cb 0.43 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2kwb h ASN 73 CO 0.02 0.48 -0.10 1.41 -0.37 0.00 0.00 177.43 178.87 2kwb n HIS 74 N -4.65 0.00 -3.28 0.67 8.25 -1.10 -5.01 115.22 110.10 2kwb n HIS 74 Ca 0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.54 2kwb n HIS 74 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.01 -1.44 -3.82 -0.41 5.02 0.14 -4.83 118.16 113.83 2kwb n LYS 75 Ca 0.12 1.30 -0.36 0.00 -2.02 0.00 0.00 58.31 57.36 2kwb n LYS 75 Cb 0.55 -4.67 -0.07 0.00 -0.02 0.00 0.00 35.03 30.82 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kwb s LEU 76 N -4.21 4.31 0.24 -0.35 1.43 -0.51 -3.80 118.68 115.79 2kwb s LEU 76 Ca 0.02 0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 2kwb s LEU 76 Cb -0.00 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 2kwb s LEU 76 CO 0.80 0.31 0.71 0.54 0.23 0.00 0.00 176.35 178.93 2kwb s VAL 77 N -0.44 4.63 0.10 -1.59 0.11 0.63 -4.73 120.40 119.11 2kwb s VAL 77 Ca 0.12 1.14 -0.26 0.00 -2.93 0.00 0.00 61.98 60.05 2kwb s VAL 77 Cb -0.12 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.89 2kwb s VAL 77 CO 0.01 0.11 0.81 -1.83 -3.33 0.00 0.00 175.10 170.88 2kwb s GLU 78 N -2.23 4.57 0.05 1.54 -1.05 -1.26 -1.50 118.70 118.82 2kwb s GLU 78 Ca 0.45 1.18 0.07 0.00 -0.15 0.00 0.00 54.97 56.52 2kwb s GLU 78 Cb -0.15 -3.33 -0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2kwb s GLU 78 CO 0.20 0.36 -0.17 -1.64 0.95 0.00 0.00 175.26 174.96 2kwb s MET 79 N -0.40 2.07 -0.19 -4.83 -1.94 0.13 -4.98 119.30 109.16 2kwb s MET 79 Ca 0.39 -0.98 -0.21 0.00 -1.71 0.00 0.00 55.69 53.18 2kwb s MET 79 Cb -0.22 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 2kwb s MET 79 CO 0.26 0.54 0.64 -0.80 -0.01 0.00 0.00 175.02 175.64 2kwb s ASN 80 N -1.51 6.71 0.46 3.03 0.01 -1.26 -2.63 114.94 119.75 2kwb s ASN 80 Ca 0.15 0.87 0.19 0.00 -0.71 0.00 0.00 52.86 53.36 2kwb s ASN 80 Cb -0.11 -2.36 1.17 0.00 0.41 0.00 0.00 41.25 40.37 2kwb s ASN 80 CO 0.06 -0.27 1.93 0.00 -1.51 0.00 0.00 177.10 177.32 2kwb h TYR 82 N 0.28 0.07 0.02 0.00 -0.00 -1.93 -3.38 116.97 112.03 2kwb h TYR 82 Ca 0.35 -0.05 -0.35 0.00 -0.00 0.00 0.00 58.73 58.68 2kwb h TYR 82 Cb 0.95 -0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.63 2kwb h TYR 82 CO -0.00 1.04 -1.97 -1.91 -0.00 0.00 0.00 178.16 175.32 2kwb n GLU 83 N -3.33 0.61 -0.05 0.10 2.13 -0.76 -4.34 120.64 115.01 2kwb n GLU 83 Ca -0.04 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2kwb n GLU 83 Cb 0.97 -1.62 0.02 0.00 0.27 0.00 0.00 31.44 31.08 2kwb n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kwb n ASP 84 N -4.09 1.18 -0.28 4.31 8.00 -0.47 -4.11 116.55 121.09 2kwb n ASP 84 Ca -0.42 -2.05 0.01 0.00 0.71 0.00 0.00 54.79 53.05 2kwb n ASP 84 Cb 0.85 -0.46 0.15 0.00 -0.02 0.00 0.00 41.12 41.63 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kwb h ALA 85 N 2.22 1.12 -0.65 2.24 0.00 -1.76 -0.74 119.26 121.69 2kwb h ALA 85 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kwb h ALA 85 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kwb h ALA 85 CO 0.03 0.13 0.42 0.77 0.00 0.00 0.00 179.25 180.59 2kwb h SER 86 N 0.81 0.76 -0.50 0.00 0.02 -1.93 -0.25 113.55 112.46 2kwb h SER 86 Ca 0.37 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2kwb h SER 86 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2kwb h SER 86 CO -0.22 0.56 -0.03 0.24 -1.14 0.00 0.00 176.83 176.25 2kwb h MET 87 N 0.89 0.95 -0.27 3.45 2.07 -1.49 -2.69 114.93 117.84 2kwb h MET 87 Ca 0.24 -0.29 -0.09 0.00 -2.07 0.00 0.00 59.70 57.48 2kwb h MET 87 Cb -0.08 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.56 2kwb h MET 87 CO -0.05 0.95 -0.19 0.74 1.07 0.00 0.00 176.91 179.43 2kwb h PHE 88 N 0.87 0.71 -0.52 -0.22 0.04 -0.30 0.68 116.94 118.19 2kwb h PHE 88 Ca 0.16 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2kwb h PHE 88 Cb 0.55 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2kwb h PHE 88 CO 0.03 0.88 0.19 1.57 -0.60 0.00 0.00 178.31 180.38 2kwb h LYS 89 N 0.33 0.75 -0.11 1.51 2.10 -1.05 0.21 116.57 120.30 2kwb h LYS 89 Ca 0.05 -0.12 -0.23 0.00 -2.00 0.00 0.00 60.65 58.35 2kwb h LYS 89 Cb 0.73 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.94 2kwb h LYS 89 CO 0.05 0.63 -0.84 0.00 -2.00 0.00 0.00 179.45 177.29 2kwb h ALA 90 N 1.47 0.26 -0.53 0.07 0.00 -1.44 -2.34 119.26 116.74 2kwb h ALA 90 Ca 0.18 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2kwb h ALA 90 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kwb h ALA 90 CO -0.01 0.67 0.28 -0.92 0.00 0.00 0.00 179.25 179.27 2kwb h TYR 91 N 0.50 0.74 -0.26 0.00 3.20 -0.35 -2.37 116.97 118.41 2kwb h TYR 91 Ca -0.07 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.69 2kwb h TYR 91 Cb 1.48 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2kwb h TYR 91 CO 0.09 0.55 -0.18 0.82 -1.64 0.00 0.00 178.16 177.80 2kwb h ILE 92 N 0.71 1.24 -0.08 1.81 1.08 -0.66 0.21 117.51 121.83 2kwb h ILE 92 Ca 0.18 -1.13 0.03 0.00 -0.39 0.00 0.00 64.86 63.56 2kwb h ILE 92 Cb 0.07 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 2kwb h ILE 92 CO -0.03 0.36 -0.12 0.50 -0.69 0.00 0.00 178.15 178.17 2kwb h LYS 93 N 0.43 -0.16 -0.28 2.37 3.64 -0.93 0.20 116.57 121.85 2kwb h LYS 93 Ca 0.07 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2kwb h LYS 93 Cb 0.57 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2kwb h LYS 93 CO 0.04 -0.11 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.63 2kwb h LYS 94 N -0.16 0.66 -0.09 1.90 1.63 -1.33 -2.66 116.57 116.52 2kwb h LYS 94 Ca 0.07 -0.35 0.04 0.00 -0.85 0.00 0.00 60.65 59.57 2kwb h LYS 94 Cb 0.26 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.85 2kwb h LYS 94 CO -0.17 0.95 -0.27 0.35 -3.45 0.00 0.00 179.45 176.86 2kwb h PHE 95 N 0.40 -0.72 -0.73 1.91 3.57 -0.78 -0.78 116.94 119.81 2kwb h PHE 95 Ca 0.05 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.67 2kwb h PHE 95 Cb 0.82 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 2kwb h PHE 95 CO 0.07 -0.35 0.37 1.98 -2.23 0.00 0.00 178.31 178.15 2kwb h MET 96 N -0.36 0.60 0.31 1.11 4.05 -0.63 -0.89 114.93 119.12 2kwb h MET 96 Ca 0.09 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2kwb h MET 96 Cb 0.49 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 2kwb h MET 96 CO -0.30 0.39 -0.40 -0.22 0.23 0.00 0.00 176.91 176.61 2kwb h LYS 97 N 0.61 -0.73 0.56 0.39 1.63 -1.02 -1.76 116.57 116.24 2kwb h LYS 97 Ca 0.36 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2kwb h LYS 97 Cb 0.39 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2kwb h LYS 97 CO -0.27 -0.49 -0.29 -0.91 -3.45 0.00 0.00 179.45 174.04 2kwb h ASN 98 N -0.76 -0.70 -0.55 4.20 4.21 -0.71 -0.74 115.58 120.53 2kwb h ASN 98 Ca -0.02 0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 2kwb h ASN 98 Cb 0.71 0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 38.08 2kwb h ASN 98 CO -0.12 -0.48 0.24 -0.37 -1.29 0.00 0.00 177.43 175.41 2kwb h VAL 99 N -0.78 1.21 -0.03 2.81 -1.51 -1.22 -0.91 116.25 115.83 2kwb h VAL 99 Ca -0.07 -0.63 -0.06 0.00 -1.23 0.00 0.00 66.70 64.71 2kwb h VAL 99 Cb 0.61 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2kwb h VAL 99 CO 0.11 0.25 -0.22 0.40 -1.23 0.00 0.00 177.57 176.87 2kwb h ILE 100 N 0.75 1.50 -0.85 7.19 1.08 -1.35 -1.25 117.51 124.57 2kwb h ILE 100 Ca 0.19 -1.78 -0.01 0.00 -0.39 0.00 0.00 64.86 62.87 2kwb h ILE 100 Cb 0.16 2.57 -0.04 0.00 -3.07 0.00 0.00 36.82 36.44 2kwb h ILE 100 CO -0.02 0.49 0.49 -0.78 -0.69 0.00 0.00 178.15 177.64 2kwb h ASP 101 N -0.41 1.03 -0.32 1.72 3.58 -1.12 0.96 116.42 121.84 2kwb h ASP 101 Ca -0.02 -0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.22 2kwb h ASP 101 Cb 0.92 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2kwb h ASP 101 CO 0.04 0.80 -0.34 -0.74 -2.88 0.00 0.00 179.24 176.12 2kwb h HIS 102 N 1.17 0.97 -0.47 0.28 2.76 -1.23 -3.08 115.15 115.56 2kwb h HIS 102 Ca 0.30 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2kwb h HIS 102 Cb -0.02 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 2kwb h HIS 102 CO 0.01 1.08 0.22 1.98 -1.30 0.00 0.00 177.93 179.92 2kwb h MET 103 N 0.58 0.65 0.00 5.26 1.85 -0.63 -1.89 114.93 120.75 2kwb h MET 103 Ca 0.05 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2kwb h MET 103 Cb 0.93 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.83 2kwb h MET 103 CO 0.08 0.51 0.00 1.49 -0.40 0.00 0.00 176.91 178.60 2kwb h GLU 104 N 0.66 0.00 0.04 0.39 4.81 -0.74 0.69 114.58 120.43 2kwb h GLU 104 Ca 0.16 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.16 2kwb h GLU 104 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2kwb h GLU 104 CO -0.02 0.00 -1.15 0.87 -0.73 0.00 0.00 179.01 177.98 2kwb h LYS 105 N 0.00 0.08 0.00 1.92 1.79 -1.32 -3.40 116.57 115.64 2kwb h LYS 105 Ca 0.00 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.25 2kwb h LYS 105 Cb 0.32 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2kwb h LYS 105 CO 0.00 1.02 -1.33 0.27 -1.08 0.00 0.00 179.45 178.33 2kwb n ASN 106 N -3.37 3.66 0.00 0.86 0.23 -1.10 -4.95 115.26 110.58 2kwb n ASN 106 Ca -0.04 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 2kwb n ASN 106 Cb 0.98 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.83 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kwb n ASN 107 N -2.49 0.00 0.00 0.53 2.85 0.22 -4.94 115.26 111.42 2kwb n ASN 107 Ca -0.09 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2kwb n ASN 107 Cb 0.62 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2kwb n ASN 107 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kwb n ARG 108 N -1.50 0.00 -2.01 1.20 1.74 -1.21 -4.93 116.66 109.95 2kwb n ARG 108 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2kwb n ARG 108 Cb 0.00 -3.28 -0.03 0.00 -1.02 0.00 0.00 32.46 28.13 2kwb n ARG 108 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kwb s ASP 109 N -2.63 5.63 0.36 0.55 2.15 -1.26 -4.86 116.67 116.61 2kwb s ASP 109 Ca 0.00 0.94 0.15 0.00 0.43 0.00 0.00 52.55 54.06 2kwb s ASP 109 Cb 0.00 -2.53 1.01 0.00 -0.30 0.00 0.00 42.92 41.10 2kwb s ASP 109 CO 0.00 -1.98 1.76 0.11 -0.17 0.00 0.00 175.17 174.89 2kwb h LYS 110 N 13.80 0.47 -0.38 4.34 1.57 -1.98 0.22 116.57 134.61 2kwb h LYS 110 Ca -0.30 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 2kwb h LYS 110 Cb 1.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2kwb h LYS 110 CO 1.10 0.31 0.02 0.00 -0.57 0.00 0.00 179.45 180.31 2kwb h ALA 111 N 1.66 0.51 0.17 3.86 0.00 -1.99 -2.19 119.26 121.27 2kwb h ALA 111 Ca 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2kwb h ALA 111 Cb 1.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kwb h ALA 111 CO -0.37 0.26 -0.08 0.22 0.00 0.00 0.00 179.25 179.28 2kwb h ASP 112 N 0.48 -0.19 -0.38 0.00 3.58 -1.06 -2.33 116.42 116.53 2kwb h ASP 112 Ca 0.11 -0.34 0.02 0.00 0.42 0.00 0.00 57.03 57.24 2kwb h ASP 112 Cb 0.44 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2kwb h ASP 112 CO 0.02 0.35 0.25 -0.37 -2.88 0.00 0.00 179.24 176.61 2kwb h VAL 113 N -0.85 1.04 -0.28 2.25 -1.51 -1.07 -0.21 116.25 115.62 2kwb h VAL 113 Ca -0.02 -0.15 -0.13 0.00 -1.23 0.00 0.00 66.70 65.17 2kwb h VAL 113 Cb 0.52 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2kwb h VAL 113 CO 0.04 0.08 -0.35 -0.78 -1.23 0.00 0.00 177.57 175.32 2kwb h ASP 114 N 0.43 0.66 -0.08 4.19 3.58 -1.44 0.12 116.42 123.87 2kwb h ASP 114 Ca 0.15 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2kwb h ASP 114 Cb 0.07 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2kwb h ASP 114 CO -0.03 0.95 0.02 0.00 -2.88 0.00 0.00 179.24 177.30 2kwb h ALA 115 N 1.09 0.11 0.03 -0.78 0.00 -0.58 0.11 119.26 119.24 2kwb h ALA 115 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kwb h ALA 115 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kwb h ALA 115 CO 0.07 -0.26 -0.02 0.35 0.00 0.00 0.00 179.25 179.40 2kwb h PHE 116 N -0.08 -0.04 -0.56 0.00 3.57 -1.06 0.25 116.94 119.01 2kwb h PHE 116 Ca 0.03 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2kwb h PHE 116 Cb 0.25 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 2kwb h PHE 116 CO 0.01 -0.02 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.77 2kwb h LYS 117 N -0.05 0.05 -0.37 1.11 3.11 -0.74 -0.33 116.57 119.34 2kwb h LYS 117 Ca -0.00 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 2kwb h LYS 117 Cb 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 2kwb h LYS 117 CO 0.01 0.03 -0.16 -0.22 -2.81 0.00 0.00 179.45 176.30 2kwb h LYS 118 N 0.05 0.67 -0.12 1.90 1.63 -0.42 -0.15 116.57 120.14 2kwb h LYS 118 Ca 0.28 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2kwb h LYS 118 Cb 0.44 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2kwb h LYS 118 CO -0.53 0.80 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.03 2kwb h LYS 119 N 0.60 0.22 -0.58 1.90 1.63 0.40 -0.19 116.57 120.55 2kwb h LYS 119 Ca 0.10 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 2kwb h LYS 119 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 2kwb h LYS 119 CO 0.04 0.50 0.03 0.82 -3.45 0.00 0.00 179.45 177.39 2kwb h ILE 120 N -0.08 1.26 -0.33 2.00 1.08 -1.06 0.10 117.51 120.47 2kwb h ILE 120 Ca 0.03 -1.07 0.03 0.00 -0.39 0.00 0.00 64.86 63.46 2kwb h ILE 120 Cb 0.41 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 2kwb h ILE 120 CO 0.01 0.39 0.15 -0.61 -0.69 0.00 0.00 178.15 177.40 2kwb h GLN 121 N 0.90 0.31 -0.18 2.37 5.75 -0.88 0.05 115.11 123.44 2kwb h GLN 121 Ca 0.17 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2kwb h GLN 121 Cb 0.49 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 2kwb h GLN 121 CO 0.02 0.21 -0.34 0.78 -2.65 0.00 0.00 178.83 176.84 2kwb h GLY 122 N 0.32 0.41 0.98 2.39 0.00 -0.87 -2.76 103.07 103.53 2kwb h GLY 122 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2kwb h GLY 122 CO -0.11 0.33 -0.20 -0.25 0.00 0.00 0.00 176.54 176.31 2kwb h TRP 123 N 0.32 -0.53 -0.23 5.60 7.01 -0.14 -2.52 115.95 125.47 2kwb h TRP 123 Ca 0.04 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2kwb h TRP 123 Cb 0.76 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 2kwb h TRP 123 CO 0.02 -0.31 0.05 -0.39 -2.79 0.00 0.00 178.44 175.02 2kwb h VAL 124 N -0.60 1.21 -0.32 2.65 -1.51 -1.04 0.67 116.25 117.31 2kwb h VAL 124 Ca -0.06 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.71 2kwb h VAL 124 Cb 0.45 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2kwb h VAL 124 CO 0.10 0.22 0.20 -0.37 -1.23 0.00 0.00 177.57 176.49 2kwb h VAL 125 N 0.19 1.09 0.04 7.19 -1.51 -1.54 0.85 116.25 122.56 2kwb h VAL 125 Ca 0.07 -0.19 -0.15 0.00 -1.23 0.00 0.00 66.70 65.20 2kwb h VAL 125 Cb 0.29 0.63 0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2kwb h VAL 125 CO 0.00 0.09 -0.61 0.28 -1.23 0.00 0.00 177.57 176.10 2kwb h SER 126 N 0.44 0.47 0.13 4.19 0.02 -1.30 -3.25 113.55 114.25 2kwb h SER 126 Ca 0.12 -0.82 -0.08 0.00 -0.84 0.00 0.00 61.79 60.17 2kwb h SER 126 Cb -0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2kwb h SER 126 CO -0.02 1.24 -0.27 0.25 -1.14 0.00 0.00 176.83 176.89 2kwb h LEU 127 N -0.24 0.23 -1.19 5.07 5.85 -0.27 -2.78 115.31 121.99 2kwb h LEU 127 Ca -0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kwb h LEU 127 Cb 1.37 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2kwb h LEU 127 CO 0.12 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.90 2kwb n LEU 128 N -4.15 1.83 -4.55 2.25 4.77 0.24 -4.81 117.00 112.57 2kwb n LEU 128 Ca -0.01 -0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 55.01 2kwb n LEU 128 Cb 0.37 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2kwb n LEU 128 CO 0.40 0.34 1.64 0.00 -1.33 0.00 0.00 177.39 178.43 2kwb s ALA 129 N -1.90 1.41 0.44 -1.18 0.00 -1.05 -4.82 121.76 114.66 2kwb s ALA 129 Ca 0.35 -0.50 0.12 0.00 0.00 0.00 0.00 51.96 51.93 2kwb s ALA 129 Cb 0.20 -4.44 1.02 0.00 0.00 0.00 0.00 23.12 19.90 2kwb s ALA 129 CO 0.31 -4.89 2.04 0.87 0.00 0.00 0.00 175.76 174.08 2kwb h LYS 130 N 15.88 0.38 -0.68 0.00 6.56 -1.90 -0.80 116.57 136.01 2kwb h LYS 130 Ca -0.13 -0.02 0.15 0.00 -1.06 0.00 0.00 60.65 59.58 2kwb h LYS 130 Cb 1.14 -0.08 -0.11 0.00 -0.57 0.00 0.00 32.23 32.60 2kwb h LYS 130 CO 1.13 0.25 0.03 -0.44 -2.06 0.00 0.00 179.45 178.36 2kwb h ASP 131 N 0.39 -0.24 0.00 0.86 5.19 -1.99 0.85 116.42 121.47 2kwb h ASP 131 Ca 0.19 0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.66 2kwb h ASP 131 Cb 0.26 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 2kwb h ASP 131 CO -0.05 -0.12 -1.55 -2.11 -3.12 0.00 0.00 179.24 172.29 2kwb n ARG 132 N -5.28 1.71 0.00 3.56 1.85 -1.19 -4.65 116.66 112.66 2kwb n ARG 132 Ca 0.11 -0.04 0.14 0.00 -1.00 0.00 0.00 57.85 57.07 2kwb n ARG 132 Cb 0.41 -1.23 0.63 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 -2.15 0.00 0.23 2.89 3.01 -0.31 -2.93 117.46 118.20 2kwb n PHE 133 Ca -0.10 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.53 2kwb n PHE 133 Cb 0.59 -0.24 0.86 0.00 -0.01 0.00 0.00 39.48 40.68 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 0.31 0.00 -0.31 -1.08 3.64 -0.99 -2.01 116.57 116.14 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 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 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 -3.68 0.31 -4.92 4.20 3.02 -1.15 -4.73 115.26 108.31 2kwb n ASN 135 Ca 0.01 -1.82 -0.26 0.00 -0.03 0.00 0.00 54.58 52.47 2kwb n ASN 135 Cb 0.30 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.66 3.53 -0.07 3.41 1.43 -0.76 -4.85 118.68 120.72 2kwb s LEU 136 Ca 0.00 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2kwb s LEU 136 Cb 0.00 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2kwb s LEU 136 CO 0.00 -0.72 -0.02 0.00 0.23 0.00 0.00 176.35 175.83 2kwb s ALA 137 N -2.77 0.79 -0.36 4.21 0.00 -1.06 -4.43 121.76 118.13 2kwb s ALA 137 Ca 0.49 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2kwb s ALA 137 Cb -0.10 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.35 2kwb s ALA 137 CO 0.44 -0.34 0.18 -0.06 0.00 0.00 0.00 175.76 175.97 2kwb s PHE 138 N 1.67 3.24 0.03 0.00 0.08 -1.08 -1.65 117.98 120.27 2kwb s PHE 138 Ca 0.01 -1.00 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 2kwb s PHE 138 Cb -0.13 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2kwb s PHE 138 CO -0.04 -0.64 0.23 -0.06 -0.10 0.00 0.00 175.22 174.60 2kwb s PHE 139 N 1.53 3.54 0.05 0.36 0.40 -0.11 0.18 117.98 123.93 2kwb s PHE 139 Ca 0.02 0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.65 2kwb s PHE 139 Cb -0.19 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2kwb s PHE 139 CO 0.06 0.60 0.21 -1.50 0.70 0.00 0.00 175.22 175.29 2kwb s ILE 140 N -1.40 0.11 0.52 0.64 2.07 -0.56 -0.45 121.20 122.13 2kwb s ILE 140 Ca 0.31 -0.91 -0.22 0.00 -1.41 0.00 0.00 60.65 58.42 2kwb s ILE 140 Cb -0.13 -0.99 -0.07 0.00 0.13 0.00 0.00 42.46 41.40 2kwb s ILE 140 CO 0.21 -0.50 1.17 0.61 -1.91 0.00 0.00 174.94 174.51 2kwb n GLY 141 N 0.53 0.24 0.36 1.50 0.00 -1.26 -0.27 105.19 106.30 2kwb n GLY 141 Ca -0.18 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2kwb n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kwb h GLU 142 N 1.30 -0.70 0.00 1.61 5.08 -1.88 -0.28 114.58 119.71 2kwb h GLU 142 Ca -0.48 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2kwb h GLU 142 Cb 1.33 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 2kwb h GLU 142 CO 0.56 -0.46 -0.06 -0.09 -1.00 0.00 0.00 179.01 177.96 2kwb h ARG 143 N -0.72 0.00 0.31 2.33 2.43 -1.93 0.21 114.38 117.01 2kwb h ARG 143 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2kwb h ARG 143 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2kwb h ARG 143 CO -0.06 0.06 -0.15 0.00 -1.51 0.00 0.00 179.97 178.31 2kwb h ALA 144 N 1.94 -0.42 0.00 2.80 0.00 -1.66 -0.23 119.26 121.70 2kwb h ALA 144 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kwb h ALA 144 Cb 0.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kwb h ALA 144 CO 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.61 2kwb h ALA 145 N 0.03 1.00 0.15 0.00 0.00 -0.51 0.35 119.26 120.28 2kwb h ALA 145 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 2kwb h ALA 145 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.26 2kwb h ALA 145 CO 0.07 0.00 -1.24 1.49 0.00 0.00 0.00 179.25 179.57 2kwb h GLU 146 N 0.00 0.57 0.00 0.00 4.81 -0.41 -3.45 114.58 116.10 2kwb h GLU 146 Ca 0.00 -0.82 -0.03 0.00 -0.13 0.00 0.00 59.36 58.38 2kwb h GLU 146 Cb 0.55 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2kwb h GLU 146 CO 0.00 1.38 0.03 0.41 -0.73 0.00 0.00 179.01 180.09 2kwb n GLY 147 N 1.48 -0.76 2.94 1.92 0.00 -0.12 -5.06 105.19 105.59 2kwb n GLY 147 Ca -0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb s ALA 148 N 0.01 -1.40 -1.82 4.61 0.00 0.11 -4.94 121.76 118.32 2kwb s ALA 148 Ca 0.01 -0.47 0.16 0.00 0.00 0.00 0.00 51.96 51.66 2kwb s ALA 148 Cb 0.04 -2.42 0.91 0.00 0.00 0.00 0.00 23.12 21.65 2kwb s ALA 148 CO -0.01 -2.18 1.40 -0.85 0.00 0.00 0.00 175.76 174.11 2kwb n GLU 149 N 4.06 0.42 -1.39 0.00 0.28 -1.25 -3.89 120.64 118.87 2kwb n GLU 149 Ca 0.13 0.04 -0.34 0.00 -0.16 0.00 0.00 57.16 56.83 2kwb n GLU 149 Cb 0.52 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 2kwb n GLU 149 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kwb n ASN 150 N -1.09 7.93 -4.16 -1.84 4.13 -1.26 -4.88 115.26 114.09 2kwb n ASN 150 Ca 0.11 -2.69 -0.18 0.00 1.68 0.00 0.00 54.58 53.50 2kwb n ASN 150 Cb 0.08 -1.48 -0.12 0.00 -1.54 0.00 0.00 39.78 36.71 2kwb n ASN 150 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2kwb s GLY 151 N 1.73 0.84 0.25 7.41 0.00 -1.25 -4.77 107.32 111.53 2kwb s GLY 151 Ca 0.66 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 44.19 2kwb s GLY 151 CO -0.06 -0.99 0.80 -0.86 0.00 0.00 0.00 173.10 171.98 2kwb s GLN 152 N -1.67 4.37 -0.35 2.90 -2.07 -1.26 -5.05 119.66 116.54 2kwb s GLN 152 Ca -0.02 1.03 -0.22 0.00 -1.82 0.00 0.00 55.36 54.33 2kwb s GLN 152 Cb -0.10 -2.86 0.00 0.00 -1.09 0.00 0.00 33.01 28.96 2kwb s GLN 152 CO 0.02 0.36 0.71 0.08 -1.32 0.00 0.00 175.29 175.15 2kwb s VAL 153 N -1.54 4.82 -0.49 3.63 1.01 -1.26 -4.64 120.40 121.92 2kwb s VAL 153 Ca 0.45 0.81 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 2kwb s VAL 153 Cb -0.17 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kwb s VAL 153 CO 0.22 -0.34 1.09 0.00 0.00 0.00 0.00 175.10 176.08 2kwb s ALA 154 N 2.89 3.15 -0.16 5.51 0.00 0.40 -4.88 121.76 128.67 2kwb s ALA 154 Ca 0.28 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2kwb s ALA 154 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.10 2kwb s ALA 154 CO 0.15 -2.28 0.74 0.42 0.00 0.00 0.00 175.76 174.79 2kwb s ILE 155 N 4.36 4.96 -0.16 0.00 1.01 -1.05 -0.93 121.20 129.39 2kwb s ILE 155 Ca 0.44 1.44 0.01 0.00 0.00 0.00 0.00 60.65 62.54 2kwb s ILE 155 Cb -0.08 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2kwb s ILE 155 CO 0.30 0.10 -0.18 -0.63 0.00 0.00 0.00 174.94 174.53 2kwb s ILE 156 N 1.80 2.38 0.14 2.92 -1.09 -0.66 -0.04 121.20 126.65 2kwb s ILE 156 Ca 0.35 -0.86 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2kwb s ILE 156 Cb -0.17 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 2kwb s ILE 156 CO 0.13 0.53 -0.12 -1.83 -1.23 0.00 0.00 174.94 172.42 2kwb s GLU 157 N 0.93 1.06 -0.49 2.79 -1.05 -1.00 -2.58 118.70 118.37 2kwb s GLU 157 Ca -0.04 -1.39 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 2kwb s GLU 157 Cb -0.15 -0.74 0.02 0.00 -0.44 0.00 0.00 34.13 32.82 2kwb s GLU 157 CO -0.03 0.11 1.26 1.52 0.95 0.00 0.00 175.26 179.08 2kwb s TYR 158 N -2.91 2.59 -0.19 4.83 1.13 -1.26 -0.69 117.35 120.85 2kwb s TYR 158 Ca 0.14 0.62 -0.07 0.00 -1.41 0.00 0.00 57.07 56.36 2kwb s TYR 158 Cb -0.00 -4.41 -0.04 0.00 -1.10 0.00 0.00 41.96 36.41 2kwb s TYR 158 CO 0.02 -1.62 0.05 0.50 -2.51 0.00 0.00 175.55 171.99 2kwb s ARG 159 N 4.82 3.91 -0.43 -3.49 6.06 0.26 -4.90 118.95 125.17 2kwb s ARG 159 Ca 0.52 -0.38 -0.29 0.00 -2.50 0.00 0.00 55.73 53.08 2kwb s ARG 159 Cb -0.09 -3.20 0.02 0.00 0.06 0.00 0.00 34.95 31.74 2kwb s ARG 159 CO 0.30 0.22 1.20 0.34 -2.50 0.00 0.00 175.30 174.86 2kwb s ASP 160 N 0.51 6.62 -0.87 -2.12 -1.08 -1.26 -0.56 116.67 117.90 2kwb s ASP 160 Ca 0.02 0.67 -0.14 0.00 -0.52 0.00 0.00 52.55 52.58 2kwb s ASP 160 Cb -0.13 -2.55 0.22 0.00 -1.46 0.00 0.00 42.92 39.00 2kwb s ASP 160 CO 0.01 -1.23 0.84 -0.69 0.52 0.00 0.00 175.17 174.62 2kwb s VAL 161 N 4.54 5.59 -1.40 1.11 1.01 0.44 -4.64 120.40 127.06 2kwb s VAL 161 Ca 0.51 -2.51 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 2kwb s VAL 161 Cb -0.10 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.80 2kwb s VAL 161 CO 0.29 -1.09 0.40 0.47 0.00 0.00 0.00 175.10 175.17 2kwb n ASP 162 N 4.05 -4.88 0.00 3.32 9.92 -1.26 -1.38 116.55 126.31 2kwb n ASP 162 Ca 0.16 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2kwb n ASP 162 Cb 0.46 -4.01 0.00 0.00 -0.64 0.00 0.00 41.12 36.93 2kwb n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kwb n GLY 163 N -1.23 1.99 3.43 0.44 0.00 -1.26 -5.06 105.19 103.50 2kwb n GLY 163 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.01 5.08 -0.52 2.61 2.01 -0.48 -5.04 115.64 117.28 2kwb s THR 164 Ca 0.00 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.02 2kwb s THR 164 Cb 0.00 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.38 2kwb s THR 164 CO 0.00 -0.61 1.14 -1.61 -0.69 0.00 0.00 174.62 172.85 2kwb s GLU 165 N 2.09 3.61 0.01 4.92 2.02 -1.26 -0.42 118.70 129.68 2kwb s GLU 165 Ca 0.10 0.38 0.05 0.00 0.02 0.00 0.00 54.97 55.52 2kwb s GLU 165 Cb -0.21 -3.96 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 2kwb s GLU 165 CO 0.10 -1.50 -0.16 0.14 0.02 0.00 0.00 175.26 173.86 2kwb s VAL 166 N 4.61 1.25 -0.10 2.63 -7.23 0.28 -4.90 120.40 116.94 2kwb s VAL 166 Ca 0.45 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2kwb s VAL 166 Cb -0.08 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 2kwb s VAL 166 CO 0.29 0.21 1.59 -2.84 -0.31 0.00 0.00 175.10 174.04 2kwb s PRO 167 N -0.73 4.12 0.31 4.82 0.02 -1.26 -0.57 135.00 141.72 2kwb s PRO 167 Ca 0.05 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.17 2kwb s PRO 167 Cb -0.07 -3.96 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 2kwb s PRO 167 CO 0.00 -0.90 0.23 0.95 -0.33 0.00 0.00 177.00 176.95 2kwb s THR 168 N 4.17 3.63 -0.12 0.99 -4.23 0.13 -4.44 115.64 115.77 2kwb s THR 168 Ca 0.70 -1.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2kwb s THR 168 Cb -0.30 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 2kwb s THR 168 CO 0.27 -0.23 0.10 -0.22 -0.54 0.00 0.00 174.62 174.00 2kwb s LEU 169 N -3.92 4.13 -0.04 4.79 2.96 -0.80 -2.36 118.68 123.44 2kwb s LEU 169 Ca 0.38 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 2kwb s LEU 169 Cb -0.06 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2kwb s LEU 169 CO 0.25 0.37 -0.22 -0.04 -1.32 0.00 0.00 176.35 175.39 2kwb s MET 170 N -0.79 2.06 0.03 1.98 -1.94 0.94 -1.74 119.30 119.84 2kwb s MET 170 Ca 0.13 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2kwb s MET 170 Cb -0.12 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 2kwb s MET 170 CO 0.03 0.37 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.83 2kwb s LEU 171 N -0.21 2.21 -0.12 -0.03 1.43 -0.90 -2.52 118.68 118.54 2kwb s LEU 171 Ca 0.00 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 2kwb s LEU 171 Cb -0.11 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 2kwb s LEU 171 CO 0.02 -0.18 0.69 -0.69 0.23 0.00 0.00 176.35 176.42 2kwb s VAL 172 N -1.19 5.02 0.13 -1.59 1.01 -1.26 -0.14 120.40 122.38 2kwb s VAL 172 Ca -0.09 1.38 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 2kwb s VAL 172 Cb -0.09 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2kwb s VAL 172 CO 0.00 0.19 1.62 0.50 0.00 0.00 0.00 175.10 177.41 2kwb h LYS 173 N 7.01 -0.40 -0.14 2.72 3.64 -1.22 -0.40 116.57 127.77 2kwb h LYS 173 Ca -0.37 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2kwb h LYS 173 Cb 1.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2kwb h LYS 173 CO 0.77 -0.27 0.00 0.39 -2.27 0.00 0.00 179.45 178.07 2kwb n GLU 174 N -5.40 0.65 -0.03 1.90 4.71 -1.26 -3.10 120.64 118.11 2kwb n GLU 174 Ca -0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.03 2kwb n GLU 174 Cb 0.31 -1.07 -0.03 0.00 -1.01 0.00 0.00 31.44 29.65 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 -0.35 2.48 -2.77 0.62 0.00 -0.39 -4.74 120.51 115.36 2kwb n ALA 175 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 2kwb n ALA 175 Cb 0.04 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 2kwb n ALA 175 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2kwb s ILE 176 N -2.16 4.80 -0.07 0.00 2.07 -0.30 -0.37 121.20 125.16 2kwb s ILE 176 Ca -0.11 -0.89 -0.04 0.00 -1.41 0.00 0.00 60.65 58.20 2kwb s ILE 176 Cb 0.04 -3.73 -0.04 0.00 0.13 0.00 0.00 42.46 38.86 2kwb s ILE 176 CO 0.14 -0.33 0.13 -0.63 -1.91 0.00 0.00 174.94 172.34 2kwb s ILE 177 N 1.58 5.25 0.35 2.00 -1.09 -0.20 -4.70 121.20 124.40 2kwb s ILE 177 Ca 0.03 -0.02 -0.27 0.00 -2.23 0.00 0.00 60.65 58.16 2kwb s ILE 177 Cb -0.20 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 37.25 2kwb s ILE 177 CO 0.07 0.50 1.17 -0.70 -1.23 0.00 0.00 174.94 174.76 2kwb s GLU 178 N -1.35 4.32 -0.26 2.79 2.12 -1.26 -1.03 118.70 124.03 2kwb s GLU 178 Ca 0.19 1.90 -0.03 0.00 0.36 0.00 0.00 54.97 57.39 2kwb s GLU 178 Cb -0.12 -2.93 0.08 0.00 0.26 0.00 0.00 34.13 31.43 2kwb s GLU 178 CO 0.09 -0.11 0.08 -2.00 -0.54 0.00 0.00 175.26 172.79 2kwb s GLU 179 N -1.92 0.51 -0.40 4.30 2.56 0.11 -4.87 118.70 118.99 2kwb s GLU 179 Ca 0.51 -0.64 -0.17 0.00 0.00 0.00 0.00 54.97 54.66 2kwb s GLU 179 Cb -0.33 -1.81 0.01 0.00 2.00 0.00 0.00 34.13 34.01 2kwb s GLU 179 CO 0.42 -0.86 0.45 -1.59 -0.56 0.00 0.00 175.26 173.13 2kwb s LYS 180 N 1.86 3.23 -0.62 4.30 -2.85 -1.26 -1.89 119.74 122.51 2kwb s LYS 180 Ca 0.05 -0.61 0.02 0.00 -1.00 0.00 0.00 55.97 54.43 2kwb s LYS 180 Cb -0.17 -3.93 0.15 0.00 -2.06 0.00 0.00 37.83 31.83 2kwb s LYS 180 CO -0.21 -0.80 0.40 0.00 0.10 0.00 0.00 175.35 174.84 2kwb n LEU 182 N 2.96 0.00 -0.67 0.00 4.32 -1.26 -4.88 117.00 117.46 2kwb n LEU 182 Ca 0.10 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.22 2kwb n LEU 182 Cb 0.35 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.50 2kwb n LEU 182 CO 0.33 0.00 0.77 -0.62 -1.22 0.00 0.00 177.39 176.65