#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 4.43 -0.18 3.17 2.96 -0.06 -3.68 118.68 125.33 2kwb s LEU 2 Ca 0.00 1.71 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 2kwb s LEU 2 Cb 0.00 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.14 2kwb s LEU 2 CO 0.00 -0.16 -0.15 0.27 -1.32 0.00 0.00 176.35 174.99 2kwb s ILE 3 N 0.48 2.53 -0.25 6.68 -4.36 -1.03 -1.17 121.20 124.08 2kwb s ILE 3 Ca 0.49 -0.79 -0.10 0.00 -0.26 0.00 0.00 60.65 59.99 2kwb s ILE 3 Cb -0.22 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2kwb s ILE 3 CO 0.29 0.50 0.15 -0.31 0.24 0.00 0.00 174.94 175.81 2kwb s TYR 4 N 1.22 3.22 -0.23 1.37 1.51 0.06 -1.78 117.35 122.71 2kwb s TYR 4 Ca 0.02 0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2kwb s TYR 4 Cb -0.14 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.42 2kwb s TYR 4 CO -0.07 -0.11 -0.02 0.15 -1.11 0.00 0.00 175.55 174.38 2kwb s LYS 5 N 1.41 3.28 0.10 -0.62 3.01 -0.90 -2.53 119.74 123.49 2kwb s LYS 5 Ca 0.07 -0.69 -0.30 0.00 -1.01 0.00 0.00 55.97 54.03 2kwb s LYS 5 Cb -0.15 -3.07 -0.06 0.00 -1.01 0.00 0.00 37.83 33.55 2kwb s LYS 5 CO 0.07 -0.25 1.12 -0.51 0.51 0.00 0.00 175.35 176.28 2kwb s ASP 6 N 1.47 7.21 0.24 2.83 1.11 -1.26 -0.36 116.67 127.90 2kwb s ASP 6 Ca 0.05 1.99 -0.07 0.00 0.18 0.00 0.00 52.55 54.70 2kwb s ASP 6 Cb -0.15 -2.59 0.41 0.00 1.07 0.00 0.00 42.92 41.66 2kwb s ASP 6 CO -0.02 -0.32 1.66 -0.29 1.18 0.00 0.00 175.17 177.37 2kwb h ILE 7 N 4.20 0.44 -0.01 0.77 2.10 -1.00 0.31 117.51 124.33 2kwb h ILE 7 Ca -0.43 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2kwb h ILE 7 Cb 1.21 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 2kwb h ILE 7 CO 0.76 0.03 -0.13 2.22 -1.08 0.00 0.00 178.15 179.96 2kwb n PHE 8 N -5.26 0.00 -1.07 2.19 1.16 -1.26 -4.62 117.46 108.60 2kwb n PHE 8 Ca 0.13 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.75 2kwb n PHE 8 Cb 0.44 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.37 2kwb n PHE 8 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kwb n THR 9 N 0.17 1.03 0.13 1.97 -1.04 -0.92 -4.52 114.28 111.10 2kwb n THR 9 Ca 0.06 -1.19 0.05 0.00 -2.04 0.00 0.00 64.05 60.92 2kwb n THR 9 Cb 0.26 0.24 0.25 0.00 -1.82 0.00 0.00 70.33 69.25 2kwb n THR 9 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kwb n ASP 10 N -0.73 0.23 -0.34 8.00 5.75 0.11 -1.10 116.55 128.47 2kwb n ASP 10 Ca 0.07 0.46 0.07 0.00 -0.01 0.00 0.00 54.79 55.38 2kwb n ASP 10 Cb 0.56 -0.40 0.23 0.00 -1.03 0.00 0.00 41.12 40.48 2kwb n ASP 10 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kwb h ASP 11 N 0.00 0.79 -0.23 -1.12 1.82 -1.88 -1.07 116.42 114.73 2kwb h ASP 11 Ca 0.00 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.62 2kwb h ASP 11 Cb 0.66 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 2kwb h ASP 11 CO 0.00 0.40 0.10 1.21 -1.61 0.00 0.00 179.24 179.34 2kwb n GLU 12 N -4.71 1.78 -0.98 0.28 2.13 -0.26 -4.97 120.64 113.91 2kwb n GLU 12 Ca 0.18 -0.92 -0.38 0.00 0.66 0.00 0.00 57.16 56.70 2kwb n GLU 12 Cb 0.38 -1.54 -0.06 0.00 0.27 0.00 0.00 31.44 30.49 2kwb n GLU 12 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2kwb n LEU 13 N 0.10 0.66 -4.87 4.31 7.94 -0.41 -4.93 117.00 119.81 2kwb n LEU 13 Ca 0.13 0.67 -0.37 0.00 -1.11 0.00 0.00 56.01 55.33 2kwb n LEU 13 Cb 0.69 -0.50 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 2kwb n LEU 13 CO 0.14 -0.49 -0.08 -0.44 -1.11 0.00 0.00 177.39 175.40 2kwb s SER 14 N 1.64 6.52 -0.36 1.96 0.01 -1.05 -4.95 113.70 117.47 2kwb s SER 14 Ca 0.59 0.62 0.01 0.00 1.31 0.00 0.00 55.95 58.48 2kwb s SER 14 Cb -0.84 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 63.38 2kwb s SER 14 CO 0.46 0.37 0.14 -0.94 0.41 0.00 0.00 173.24 173.68 2kwb s SER 15 N -1.09 4.05 0.00 2.44 1.04 -1.26 -0.76 113.70 118.11 2kwb s SER 15 Ca 0.18 -2.08 0.00 0.00 0.48 0.00 0.00 55.95 54.54 2kwb s SER 15 Cb -0.13 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2kwb s SER 15 CO 0.08 -0.36 0.00 0.47 0.98 0.00 0.00 173.24 174.41 2kwb n ASP 16 N 4.29 0.00 -3.73 7.02 8.00 -0.32 -4.93 116.55 126.88 2kwb n ASP 16 Ca 0.03 -0.89 -0.28 0.00 0.71 0.00 0.00 54.79 54.36 2kwb n ASP 16 Cb 0.39 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.37 2kwb n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kwb s SER 17 N -0.73 3.66 -0.19 -2.24 0.01 -1.26 -0.88 113.70 112.06 2kwb s SER 17 Ca 0.00 -3.33 -0.02 0.00 1.31 0.00 0.00 55.95 53.91 2kwb s SER 17 Cb 0.00 -1.19 -0.00 0.00 0.21 0.00 0.00 66.02 65.03 2kwb s SER 17 CO 0.00 -0.16 -0.09 -0.36 0.41 0.00 0.00 173.24 173.04 2kwb s PHE 18 N -0.59 2.89 -0.64 2.43 0.08 -1.26 -5.07 117.98 115.82 2kwb s PHE 18 Ca 0.25 -1.04 -0.28 0.00 0.12 0.00 0.00 56.93 55.98 2kwb s PHE 18 Cb -0.08 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2kwb s PHE 18 CO -0.13 -0.54 1.33 -1.25 -0.10 0.00 0.00 175.22 174.53 2kwb s PRO 19 N 1.22 3.27 0.44 0.24 0.04 -1.26 -5.02 135.00 133.92 2kwb s PRO 19 Ca 0.02 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.23 2kwb s PRO 19 Cb -0.14 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2kwb s PRO 19 CO -0.04 -2.01 0.63 0.00 0.04 0.00 0.00 177.00 175.63 2kwb s MET 20 N 5.56 2.95 -0.26 4.56 0.23 -1.26 -4.81 119.30 126.26 2kwb s MET 20 Ca 0.44 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 54.37 2kwb s MET 20 Cb -0.09 -2.63 0.07 0.00 -1.53 0.00 0.00 34.83 30.65 2kwb s MET 20 CO 0.21 -0.27 -0.04 0.15 -2.03 0.00 0.00 175.02 173.03 2kwb s LYS 21 N -4.48 1.68 -0.89 3.16 1.02 -1.24 -5.00 119.74 113.98 2kwb s LYS 21 Ca 0.50 -1.21 -0.25 0.00 0.02 0.00 0.00 55.97 55.03 2kwb s LYS 21 Cb -0.10 -2.71 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2kwb s LYS 21 CO 0.36 -0.67 1.41 -1.17 -0.92 0.00 0.00 175.35 174.35 2kwb s LEU 22 N 1.27 3.34 0.17 3.17 2.96 -1.26 -0.13 118.68 128.20 2kwb s LEU 22 Ca -0.03 -0.97 -0.27 0.00 -0.22 0.00 0.00 54.13 52.64 2kwb s LEU 22 Cb -0.19 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.86 2kwb s LEU 22 CO -0.08 -1.71 0.83 0.54 -1.32 0.00 0.00 176.35 174.62 2kwb s VAL 23 N 5.55 4.34 -0.67 1.68 0.11 0.14 -3.70 120.40 127.86 2kwb s VAL 23 Ca 0.43 1.83 0.00 0.00 -2.93 0.00 0.00 61.98 61.30 2kwb s VAL 23 Cb -0.04 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 2kwb s VAL 23 CO 0.01 0.48 0.00 -0.67 -3.33 0.00 0.00 175.10 171.59 2kwb n ASP 24 N 1.81 -5.17 -0.62 3.54 2.03 -1.26 -1.54 116.55 115.34 2kwb n ASP 24 Ca -0.04 0.16 -0.08 0.00 0.52 0.00 0.00 54.79 55.35 2kwb n ASP 24 Cb 0.48 -3.57 -0.03 0.00 -0.72 0.00 0.00 41.12 37.28 2kwb n ASP 24 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kwb n ASP 25 N -0.73 -5.34 -0.03 1.67 9.92 -1.24 -4.81 116.55 115.98 2kwb n ASP 25 Ca -0.06 0.20 -0.08 0.00 -0.53 0.00 0.00 54.79 54.32 2kwb n ASP 25 Cb 0.50 -3.56 -0.03 0.00 -0.64 0.00 0.00 41.12 37.40 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 -0.92 0.61 -4.20 0.64 7.94 -0.59 -5.02 117.00 115.46 2kwb n LEU 26 Ca -0.08 0.10 -0.18 0.00 -1.11 0.00 0.00 56.01 54.74 2kwb n LEU 26 Cb 0.49 -0.25 -0.12 0.00 0.53 0.00 0.00 43.42 44.08 2kwb n LEU 26 CO 0.12 0.09 -0.46 0.68 -1.11 0.00 0.00 177.39 176.72 2kwb s VAL 27 N -2.15 1.22 -0.25 1.96 -7.23 -1.04 -2.90 120.40 110.01 2kwb s VAL 27 Ca -0.11 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 2kwb s VAL 27 Cb 0.04 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 2kwb s VAL 27 CO 0.13 -0.31 0.57 -0.31 -0.31 0.00 0.00 175.10 174.88 2kwb s TYR 28 N -1.66 3.28 -0.47 2.82 2.02 0.10 0.27 117.35 123.72 2kwb s TYR 28 Ca 0.03 0.73 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 2kwb s TYR 28 Cb -0.08 -2.78 0.07 0.00 -0.40 0.00 0.00 41.96 38.77 2kwb s TYR 28 CO 0.02 -0.30 0.40 -1.83 -1.57 0.00 0.00 175.55 172.28 2kwb s GLU 29 N 2.38 2.99 -0.00 -0.62 -1.05 0.82 -1.37 118.70 121.85 2kwb s GLU 29 Ca 0.24 -1.29 -0.17 0.00 -0.15 0.00 0.00 54.97 53.60 2kwb s GLU 29 Cb -0.16 -4.12 -0.06 0.00 -0.44 0.00 0.00 34.13 29.36 2kwb s GLU 29 CO 0.09 -1.02 0.48 0.12 0.95 0.00 0.00 175.26 175.88 2kwb s PHE 30 N 1.72 3.71 -0.19 4.83 5.36 -0.30 -3.69 117.98 129.41 2kwb s PHE 30 Ca 0.05 1.06 -0.28 0.00 -0.96 0.00 0.00 56.93 56.81 2kwb s PHE 30 Cb -0.23 -2.42 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2kwb s PHE 30 CO 0.07 0.52 0.95 0.15 -1.46 0.00 0.00 175.22 175.45 2kwb s LYS 31 N -0.70 4.29 0.43 10.12 -0.14 -1.26 -1.00 119.74 131.48 2kwb s LYS 31 Ca 0.26 1.22 0.05 0.00 -1.36 0.00 0.00 55.97 56.13 2kwb s LYS 31 Cb -0.17 -3.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.32 2kwb s LYS 31 CO 0.15 -0.48 0.02 0.20 -0.76 0.00 0.00 175.35 174.48 2kwb s GLY 32 N 1.19 2.63 -0.01 -3.33 0.00 -0.99 -4.96 107.32 101.86 2kwb s GLY 32 Ca 0.42 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.59 2kwb s GLY 32 CO 0.10 -2.08 -0.13 -1.59 0.00 0.00 0.00 173.10 169.40 2kwb s LYS 33 N -3.79 1.04 -0.15 2.90 -2.85 -1.26 -4.08 119.74 111.56 2kwb s LYS 33 Ca 0.25 -0.49 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 2kwb s LYS 33 Cb 0.07 -1.01 -0.02 0.00 -2.06 0.00 0.00 37.83 34.80 2kwb s LYS 33 CO 0.13 0.28 1.35 -3.38 0.10 0.00 0.00 175.35 173.82 2kwb s HIS 34 N -0.36 2.64 0.33 1.78 -3.43 -1.26 -1.12 115.29 113.88 2kwb s HIS 34 Ca 0.05 0.82 0.02 0.00 -0.80 0.00 0.00 55.06 55.15 2kwb s HIS 34 Cb -0.05 -3.61 -0.02 0.00 -1.43 0.00 0.00 32.58 27.47 2kwb s HIS 34 CO -0.00 -2.18 0.36 0.14 -2.00 0.00 0.00 174.74 171.06 2kwb s VAL 35 N 3.67 0.00 -0.09 -5.38 -7.23 -0.91 -4.94 120.40 105.53 2kwb s VAL 35 Ca 0.59 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2kwb s VAL 35 Cb -0.24 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2kwb s VAL 35 CO 0.18 0.00 -0.20 0.68 -0.31 0.00 0.00 175.10 175.46 2kwb s VAL 36 N -3.33 1.72 -0.24 1.32 -7.23 -1.26 -2.56 120.40 108.82 2kwb s VAL 36 Ca 0.36 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2kwb s VAL 36 Cb 0.01 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.52 2kwb s VAL 36 CO 0.23 0.48 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.37 2kwb s ARG 37 N 0.46 1.24 0.01 4.82 3.00 -0.75 -4.16 118.95 123.56 2kwb s ARG 37 Ca -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 55.73 54.69 2kwb s ARG 37 Cb -0.17 -2.41 -0.01 0.00 0.00 0.00 0.00 34.95 32.35 2kwb s ARG 37 CO 0.07 -0.67 -0.07 -1.59 0.00 0.00 0.00 175.30 173.03 2kwb s LYS 38 N 1.53 0.57 -0.52 3.54 -2.85 -1.17 0.12 119.74 120.95 2kwb s LYS 38 Ca -0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 2kwb s LYS 38 Cb -0.18 -0.52 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 2kwb s LYS 38 CO -0.09 0.13 0.00 0.39 0.10 0.00 0.00 175.35 175.88 2kwb n GLU 39 N 2.61 -1.87 -0.54 1.78 1.02 -1.26 -0.17 120.64 122.22 2kwb n GLU 39 Ca -0.15 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2kwb n GLU 39 Cb 0.57 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 2kwb n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kwb n GLY 40 N 0.65 1.20 0.69 0.62 0.00 -1.26 -5.04 105.19 102.04 2kwb n GLY 40 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2kwb n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kwb n GLU 41 N -2.00 0.96 -3.73 1.61 -0.58 0.76 -5.07 120.64 112.59 2kwb n GLU 41 Ca 0.00 -0.55 -0.12 0.00 -0.42 0.00 0.00 57.16 56.06 2kwb n GLU 41 Cb 0.00 -0.04 -0.13 0.00 -0.57 0.00 0.00 31.44 30.70 2kwb n GLU 41 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2kwb s ILE 42 N 0.31 -0.04 -0.96 -3.67 2.07 -1.26 -3.05 121.20 114.60 2kwb s ILE 42 Ca 0.10 0.14 0.17 0.00 -1.41 0.00 0.00 60.65 59.66 2kwb s ILE 42 Cb -0.01 -0.39 0.62 0.00 0.13 0.00 0.00 42.46 42.81 2kwb s ILE 42 CO 0.07 0.06 1.54 1.33 -1.91 0.00 0.00 174.94 176.02 2kwb n VAL 43 N 4.21 1.76 -4.16 4.00 0.24 -1.26 -4.97 118.33 118.14 2kwb n VAL 43 Ca -0.25 -1.27 -0.28 0.00 -2.04 0.00 0.00 64.34 60.50 2kwb n VAL 43 Cb 0.53 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 2kwb n VAL 43 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2kwb s LEU 44 N -1.84 3.40 -0.20 1.34 1.02 -1.26 -4.93 118.68 116.20 2kwb s LEU 44 Ca 0.45 -0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.19 2kwb s LEU 44 Cb 0.30 -2.09 -0.19 0.00 0.02 0.00 0.00 46.19 44.22 2kwb s LEU 44 CO 0.21 0.12 0.08 0.00 0.02 0.00 0.00 176.35 176.78 2kwb n ALA 45 N 0.17 1.00 -1.00 4.21 0.00 -1.26 -5.04 120.51 118.59 2kwb n ALA 45 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2kwb n ALA 45 Cb 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.69 -2.29 3.83 0.00 0.00 -1.26 -5.16 105.19 101.99 2kwb n GLY 46 Ca -0.39 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 2.00 5.78 -0.28 1.61 1.04 -1.26 -4.85 113.70 117.73 2kwb s SER 47 Ca 0.00 0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 2kwb s SER 47 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2kwb s SER 47 CO 0.00 0.14 0.00 0.59 0.98 0.00 0.00 173.24 174.95 2kwb n ASN 48 N 0.17 -7.55 -4.70 7.02 3.02 -1.26 -4.94 115.26 107.02 2kwb n ASN 48 Ca -0.08 1.32 -0.41 0.00 -0.03 0.00 0.00 54.58 55.38 2kwb n ASN 48 Cb 0.52 -4.99 0.01 0.00 -0.61 0.00 0.00 39.78 34.70 2kwb n ASN 48 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kwb n PRO 49 N 0.64 1.96 -2.50 3.52 -0.02 -1.26 -4.98 135.00 132.36 2kwb n PRO 49 Ca 0.00 0.70 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 2kwb n PRO 49 Cb 0.00 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.24 2kwb n PRO 49 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kwb s SER 50 N -0.48 4.26 0.00 2.55 1.04 -1.26 -5.05 113.70 114.76 2kwb s SER 50 Ca 0.59 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2kwb s SER 50 Cb -0.53 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2kwb s SER 50 CO 0.59 -1.93 0.76 0.00 0.98 0.00 0.00 173.24 173.65 2kwb n ALA 51 N -2.93 1.62 0.27 5.32 0.00 -1.26 -4.90 120.51 118.63 2kwb n ALA 51 Ca 0.14 -0.74 0.13 0.00 0.00 0.00 0.00 53.44 52.98 2kwb n ALA 51 Cb 0.60 -0.28 0.73 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 0.00 -0.97 0.00 5.08 -2.01 -2.11 114.58 114.57 2kwb h GLU 52 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kwb h GLU 52 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2kwb h GLU 52 CO 0.00 0.11 0.04 0.39 -1.00 0.00 0.00 179.01 178.56 2kwb n GLU 53 N -3.60 1.37 -1.29 2.33 4.71 -1.26 -4.79 120.64 118.12 2kwb n GLU 53 Ca -0.02 -0.44 -0.38 0.00 -0.01 0.00 0.00 57.16 56.32 2kwb n GLU 53 Cb 0.24 -1.40 -0.07 0.00 -1.01 0.00 0.00 31.44 29.20 2kwb n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kwb n GLY 54 N 0.17 1.56 2.18 0.62 0.00 -0.80 -3.52 105.19 105.41 2kwb n GLY 54 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2kwb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 55 N 10.46 0.26 -2.74 4.61 0.00 -1.26 -5.13 120.51 126.72 2kwb n ALA 55 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 2kwb n ALA 55 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kwb n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kwb n GLU 56 N -3.28 -3.44 -3.80 0.00 2.13 -1.23 -5.05 120.64 105.97 2kwb n GLU 56 Ca 0.00 2.76 -0.27 0.00 0.66 0.00 0.00 57.16 60.30 2kwb n GLU 56 Cb 0.00 -5.26 -0.17 0.00 0.27 0.00 0.00 31.44 26.29 2kwb n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kwb s ASP 57 N -1.60 2.75 0.00 4.31 1.11 -1.26 -4.96 116.67 117.01 2kwb s ASP 57 Ca -0.00 -0.69 0.00 0.00 0.18 0.00 0.00 52.55 52.04 2kwb s ASP 57 Cb 0.00 -0.70 0.00 0.00 1.07 0.00 0.00 42.92 43.29 2kwb s ASP 57 CO 0.76 -0.25 0.00 -0.67 1.18 0.00 0.00 175.17 176.19 2kwb n ASP 58 N 4.99 0.00 -3.53 0.27 2.03 -1.26 -4.73 116.55 114.31 2kwb n ASP 58 Ca -0.10 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.83 2kwb n ASP 58 Cb 0.47 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.00 2.99 2.64 0.27 0.00 -1.26 -4.40 105.19 105.42 2kwb n GLY 59 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2kwb n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kwb n SER 60 N 6.49 -2.19 -0.04 1.61 7.64 -1.26 -4.99 113.62 120.87 2kwb n SER 60 Ca 0.50 -3.27 -0.09 0.00 1.01 0.00 0.00 58.87 57.01 2kwb n SER 60 Cb 0.34 1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 64.86 2kwb n SER 60 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kwb h ASP 61 N 3.78 -1.12 -0.13 6.43 2.03 -1.96 -2.79 116.42 122.65 2kwb h ASP 61 Ca -0.10 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2kwb h ASP 61 Cb 1.02 0.45 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 2kwb h ASP 61 CO 0.32 -0.28 0.00 1.21 -1.03 0.00 0.00 179.24 179.46 2kwb n GLU 62 N -4.36 1.88 -1.49 4.15 4.07 -1.26 -4.97 120.64 118.65 2kwb n GLU 62 Ca -0.03 -1.80 -0.17 0.00 -0.06 0.00 0.00 57.16 55.10 2kwb n GLU 62 Cb 0.23 -1.39 -0.07 0.00 -0.06 0.00 0.00 31.44 30.15 2kwb n GLU 62 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kwb n HIS 63 N 1.11 -0.17 0.00 4.31 8.25 -1.06 -4.90 115.22 122.77 2kwb n HIS 63 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2kwb n HIS 63 Cb 0.49 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.56 2kwb n HIS 63 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kwb n VAL 64 N -2.14 0.00 0.00 1.59 0.31 -1.26 -4.82 118.33 112.01 2kwb n VAL 64 Ca -0.17 1.02 0.00 0.00 -0.01 0.00 0.00 64.34 65.18 2kwb n VAL 64 Cb 0.57 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2kwb n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kwb n GLU 65 N -1.06 0.00 -4.90 5.55 4.07 0.12 -4.89 120.64 119.53 2kwb n GLU 65 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 2kwb n GLU 65 Cb 0.00 -0.81 -0.15 0.00 -0.06 0.00 0.00 31.44 30.42 2kwb n GLU 65 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2kwb s ARG 66 N 0.00 3.28 0.00 5.31 1.81 -1.26 -1.81 118.95 126.27 2kwb s ARG 66 Ca 0.00 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2kwb s ARG 66 Cb 0.00 -2.53 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 2kwb s ARG 66 CO 0.00 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 2kwb n GLY 67 N 3.55 2.64 3.80 -3.53 0.00 -1.06 -4.79 105.19 105.80 2kwb n GLY 67 Ca -0.18 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 2kwb n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kwb s ILE 68 N -2.00 4.85 0.49 -0.61 -4.36 -1.26 -2.13 121.20 116.18 2kwb s ILE 68 Ca 0.00 1.13 0.30 0.00 -0.26 0.00 0.00 60.65 61.82 2kwb s ILE 68 Cb 0.00 -3.86 0.49 0.00 1.25 0.00 0.00 42.46 40.34 2kwb s ILE 68 CO 0.00 0.52 1.79 -0.78 0.24 0.00 0.00 174.94 176.71 2kwb h ASP 69 N 4.90 0.17 -0.20 4.36 3.58 -1.46 0.21 116.42 127.97 2kwb h ASP 69 Ca -0.49 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.04 2kwb h ASP 69 Cb 1.21 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 2kwb h ASP 69 CO 0.65 0.02 -0.49 0.40 -2.88 0.00 0.00 179.24 176.94 2kwb h ILE 70 N 0.14 0.06 0.00 2.25 1.08 -1.93 -1.23 117.51 117.88 2kwb h ILE 70 Ca 0.57 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.86 2kwb h ILE 70 Cb 1.97 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 2kwb h ILE 70 CO -0.12 0.00 -0.93 -0.37 -0.69 0.00 0.00 178.15 176.04 2kwb h VAL 71 N -0.50 1.36 -0.11 1.67 -1.51 -1.34 -3.27 116.25 112.55 2kwb h VAL 71 Ca 0.07 -2.97 -0.14 0.00 -1.23 0.00 0.00 66.70 62.42 2kwb h VAL 71 Cb 0.65 2.66 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 2kwb h VAL 71 CO -0.46 0.78 -0.54 -0.07 -1.23 0.00 0.00 177.57 176.04 2kwb h LEU 72 N 0.00 0.36 -0.21 4.19 3.38 -1.29 0.15 115.31 121.90 2kwb h LEU 72 Ca -0.03 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2kwb h LEU 72 Cb 1.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 2kwb h LEU 72 CO 0.10 0.83 0.07 -1.13 0.09 0.00 0.00 178.44 178.41 2kwb h ASN 73 N 0.25 0.09 -0.35 -0.43 -0.73 -1.27 -3.16 115.58 109.98 2kwb h ASN 73 Ca 0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2kwb h ASN 73 Cb 1.03 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.63 2kwb h ASN 73 CO 0.09 0.08 0.00 1.57 -0.37 0.00 0.00 177.43 178.80 2kwb n HIS 74 N -5.04 0.73 -3.23 0.67 -0.00 -1.23 -5.01 115.22 102.11 2kwb n HIS 74 Ca -0.02 -0.63 -0.08 0.00 0.46 0.00 0.00 57.72 57.44 2kwb n HIS 74 Cb 0.07 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 2kwb n HIS 74 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kwb n LYS 75 N 0.26 -1.49 -3.83 1.57 4.01 -0.61 -4.52 118.16 113.54 2kwb n LYS 75 Ca 0.16 1.38 -0.36 0.00 -0.51 0.00 0.00 58.31 58.98 2kwb n LYS 75 Cb 0.63 -4.82 -0.10 0.00 -0.51 0.00 0.00 35.03 30.22 2kwb n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kwb s LEU 76 N -4.06 3.82 0.12 -0.35 1.43 0.44 -0.15 118.68 119.93 2kwb s LEU 76 Ca 0.03 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2kwb s LEU 76 Cb -0.01 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 2kwb s LEU 76 CO 0.79 0.08 0.48 0.54 0.23 0.00 0.00 176.35 178.47 2kwb s VAL 77 N 0.95 4.98 0.16 -1.59 0.11 0.35 -4.80 120.40 120.55 2kwb s VAL 77 Ca 0.05 0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2kwb s VAL 77 Cb -0.14 -3.69 -0.07 0.00 -1.53 0.00 0.00 36.38 30.96 2kwb s VAL 77 CO 0.03 0.25 0.90 -0.70 -3.33 0.00 0.00 175.10 172.25 2kwb s GLU 78 N -1.99 4.71 0.05 1.54 2.12 -1.26 -1.31 118.70 122.56 2kwb s GLU 78 Ca 0.36 1.37 0.07 0.00 0.36 0.00 0.00 54.97 57.13 2kwb s GLU 78 Cb -0.14 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2kwb s GLU 78 CO 0.19 0.38 -0.19 -1.64 -0.54 0.00 0.00 175.26 173.46 2kwb s MET 79 N -0.59 1.26 0.00 4.30 -1.94 0.14 -4.95 119.30 117.51 2kwb s MET 79 Ca 0.42 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 2kwb s MET 79 Cb -0.24 -1.36 0.00 0.00 2.01 0.00 0.00 34.83 35.24 2kwb s MET 79 CO 0.29 0.34 0.00 0.09 -0.01 0.00 0.00 175.02 175.74 2kwb n ASN 80 N 1.80 1.59 -0.71 3.03 4.13 -1.26 -2.04 115.26 121.80 2kwb n ASN 80 Ca -0.18 -0.23 0.11 0.00 1.68 0.00 0.00 54.58 55.97 2kwb n ASN 80 Cb 0.54 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.82 2kwb n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kwb h TYR 82 N 3.48 -0.05 0.00 0.00 -0.00 -2.01 -3.41 116.97 114.98 2kwb h TYR 82 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kwb h TYR 82 Cb 0.86 0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.61 2kwb h TYR 82 CO 0.00 -0.03 -1.49 -1.91 -0.00 0.00 0.00 178.16 174.74 2kwb n GLU 83 N -4.42 0.83 0.00 0.10 2.13 -1.26 -4.51 120.64 113.50 2kwb n GLU 83 Ca -0.01 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2kwb n GLU 83 Cb 0.02 -1.35 0.03 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.89 0.00 -0.14 4.31 9.92 -1.26 -4.14 116.55 123.35 2kwb n ASP 84 Ca -0.01 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.79 52.89 2kwb n ASP 84 Cb 0.37 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.81 2kwb n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwb h ALA 85 N 2.33 -0.44 -0.88 2.24 0.00 -1.80 0.35 119.26 121.06 2kwb h ALA 85 Ca 0.00 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.14 2kwb h ALA 85 Cb 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2kwb h ALA 85 CO 0.00 -0.87 0.57 0.77 0.00 0.00 0.00 179.25 179.72 2kwb h SER 86 N -0.32 0.56 0.19 0.00 0.02 -1.98 -1.54 113.55 110.48 2kwb h SER 86 Ca 0.14 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2kwb h SER 86 Cb 0.58 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2kwb h SER 86 CO -0.59 0.26 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.24 2kwb h MET 87 N 0.58 -0.25 0.00 3.45 -1.53 -1.28 -2.57 114.93 113.33 2kwb h MET 87 Ca 0.45 0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.65 2kwb h MET 87 Cb 0.87 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.97 2kwb h MET 87 CO -0.20 -0.16 -0.38 0.27 0.14 0.00 0.00 176.91 176.57 2kwb h PHE 88 N -0.68 0.00 -0.17 1.39 -5.15 -1.28 0.04 116.94 111.10 2kwb h PHE 88 Ca -0.03 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.57 2kwb h PHE 88 Cb 0.20 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.37 2kwb h PHE 88 CO 0.03 0.38 -0.57 -0.22 -2.00 0.00 0.00 178.31 175.93 2kwb h LYS 89 N 0.00 0.68 -0.84 6.09 3.64 -1.43 -1.41 116.57 123.30 2kwb h LYS 89 Ca -0.00 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2kwb h LYS 89 Cb 0.72 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2kwb h LYS 89 CO 0.05 1.13 0.45 0.00 -2.27 0.00 0.00 179.45 178.81 2kwb h ALA 90 N 0.55 1.20 0.66 5.00 0.00 -1.16 -2.07 119.26 123.45 2kwb h ALA 90 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2kwb h ALA 90 Cb 1.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2kwb h ALA 90 CO 0.12 0.64 -0.47 -0.92 0.00 0.00 0.00 179.25 178.62 2kwb h TYR 91 N 1.19 -1.26 -0.77 0.00 3.20 -0.88 0.24 116.97 118.68 2kwb h TYR 91 Ca 0.30 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2kwb h TYR 91 Cb 0.05 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2kwb h TYR 91 CO 0.01 -0.68 0.36 0.97 -1.64 0.00 0.00 178.16 177.18 2kwb h ILE 92 N -1.08 1.25 -0.15 1.81 6.09 -1.20 0.13 117.51 124.35 2kwb h ILE 92 Ca -0.08 -0.71 -0.10 0.00 -1.37 0.00 0.00 64.86 62.60 2kwb h ILE 92 Cb 0.89 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.45 2kwb h ILE 92 CO 0.04 0.30 -0.31 0.11 -3.07 0.00 0.00 178.15 175.23 2kwb h LYS 93 N 1.10 0.47 -0.40 2.19 1.79 -1.37 0.08 116.57 120.43 2kwb h LYS 93 Ca 0.27 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2kwb h LYS 93 Cb 0.13 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2kwb h LYS 93 CO -0.03 0.91 0.14 -0.22 -1.08 0.00 0.00 179.45 179.17 2kwb h LYS 94 N 0.09 0.61 0.48 3.15 1.63 -0.78 -1.60 116.57 120.16 2kwb h LYS 94 Ca 0.00 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2kwb h LYS 94 Cb 0.90 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 2kwb h LYS 94 CO 0.07 0.60 -0.42 0.35 -3.45 0.00 0.00 179.45 176.60 2kwb h PHE 95 N 0.50 -1.14 -0.18 1.91 3.57 -0.78 -2.07 116.94 118.75 2kwb h PHE 95 Ca 0.13 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2kwb h PHE 95 Cb 0.23 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 2kwb h PHE 95 CO 0.01 -0.59 -0.28 1.98 -2.23 0.00 0.00 178.31 177.20 2kwb h MET 96 N -0.90 -0.31 -0.58 1.11 4.05 -0.89 -0.22 114.93 117.19 2kwb h MET 96 Ca -0.05 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2kwb h MET 96 Cb 0.78 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 2kwb h MET 96 CO -0.03 -0.21 0.33 -0.22 0.23 0.00 0.00 176.91 177.02 2kwb h LYS 97 N -0.32 0.63 -0.10 0.39 1.63 -1.30 -1.64 116.57 115.85 2kwb h LYS 97 Ca 0.11 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2kwb h LYS 97 Cb 0.50 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2kwb h LYS 97 CO -0.37 0.42 -0.26 -0.97 -3.45 0.00 0.00 179.45 174.82 2kwb h ASN 98 N 0.65 0.39 -0.34 4.20 -1.24 -0.86 -1.16 115.58 117.22 2kwb h ASN 98 Ca 0.24 -0.59 -0.12 0.00 0.71 0.00 0.00 56.30 56.55 2kwb h ASN 98 Cb 0.08 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2kwb h ASN 98 CO -0.13 0.91 -0.22 -0.37 -1.29 0.00 0.00 177.43 176.33 2kwb h VAL 99 N -0.11 1.27 -0.10 2.57 -1.51 -1.03 -1.19 116.25 116.15 2kwb h VAL 99 Ca -0.00 -1.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.11 2kwb h VAL 99 Cb 0.87 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2kwb h VAL 99 CO 0.06 0.45 0.04 0.40 -1.23 0.00 0.00 177.57 177.28 2kwb h ILE 100 N 0.72 1.17 -0.54 7.19 1.08 -1.34 0.15 117.51 125.94 2kwb h ILE 100 Ca 0.10 -0.50 0.10 0.00 -0.39 0.00 0.00 64.86 64.16 2kwb h ILE 100 Cb 0.74 1.31 -0.08 0.00 -3.07 0.00 0.00 36.82 35.72 2kwb h ILE 100 CO 0.06 0.15 0.09 -0.78 -0.69 0.00 0.00 178.15 176.98 2kwb h ASP 101 N -0.01 -0.04 -0.21 1.72 3.58 -1.04 0.34 116.42 120.77 2kwb h ASP 101 Ca 0.03 0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 2kwb h ASP 101 Cb 0.20 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2kwb h ASP 101 CO -0.00 0.00 -0.38 0.45 -2.88 0.00 0.00 179.24 176.43 2kwb h HIS 102 N 0.22 0.79 -0.69 0.28 3.86 -1.18 -3.18 115.15 115.26 2kwb h HIS 102 Ca 0.28 -0.28 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2kwb h HIS 102 Cb 0.40 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2kwb h HIS 102 CO -0.25 1.03 0.46 1.98 0.86 0.00 0.00 177.93 182.01 2kwb h MET 103 N 0.32 0.90 0.00 2.45 1.85 -0.15 -2.23 114.93 118.07 2kwb h MET 103 Ca 0.01 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 2kwb h MET 103 Cb 0.97 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.79 2kwb h MET 103 CO 0.09 0.60 -0.25 1.05 -0.40 0.00 0.00 176.91 177.99 2kwb h GLU 104 N 0.93 0.00 0.00 0.39 -0.00 -1.02 -1.84 114.58 113.03 2kwb h GLU 104 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 2kwb h GLU 104 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.65 2kwb h GLU 104 CO -0.06 0.25 0.00 1.63 -0.00 0.00 0.00 179.01 180.84 2kwb n LYS 105 N -4.03 0.10 -0.10 1.06 5.02 -0.84 -0.99 118.16 118.38 2kwb n LYS 105 Ca -0.02 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 2kwb n LYS 105 Cb 0.32 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 2kwb n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kwb n ASN 106 N -1.40 0.34 0.00 4.39 3.02 -0.72 -4.95 115.26 115.94 2kwb n ASN 106 Ca 0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kwb n ASN 106 Cb 0.14 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 2kwb n ASN 106 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2kwb n ASN 107 N -2.84 0.00 0.00 6.41 2.85 -0.74 -5.00 115.26 115.93 2kwb n ASN 107 Ca -0.35 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.12 2kwb n ASN 107 Cb 1.13 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.15 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 -0.97 0.00 -0.00 1.20 0.63 -0.16 -4.78 116.66 112.58 2kwb n ARG 108 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2kwb n ARG 108 Cb 0.00 -2.18 0.11 0.00 0.45 0.00 0.00 32.46 30.84 2kwb n ARG 108 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kwb n ASP 109 N 0.00 0.04 -1.59 6.15 8.00 -1.26 -4.84 116.55 123.06 2kwb n ASP 109 Ca 0.00 -1.89 -0.20 0.00 0.71 0.00 0.00 54.79 53.41 2kwb n ASP 109 Cb 0.00 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2kwb n ASP 109 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kwb n LYS 110 N -0.53 -1.43 -0.05 -1.24 5.02 -1.26 -4.88 118.16 113.80 2kwb n LYS 110 Ca 0.03 1.22 -0.02 0.00 -2.02 0.00 0.00 58.31 57.52 2kwb n LYS 110 Cb 0.02 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.43 2kwb n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kwb h ALA 111 N 0.02 0.00 0.08 7.82 0.00 -1.95 -3.34 119.26 121.90 2kwb h ALA 111 Ca -0.42 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2kwb h ALA 111 Cb 1.33 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2kwb h ALA 111 CO 0.61 0.20 -0.47 -0.44 0.00 0.00 0.00 179.25 179.15 2kwb h ASP 112 N -0.75 0.29 0.20 0.00 3.32 -1.97 -3.33 116.42 114.18 2kwb h ASP 112 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 57.03 56.06 2kwb h ASP 112 Cb 0.20 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2kwb h ASP 112 CO 0.00 1.21 -0.18 -0.37 -1.72 0.00 0.00 179.24 178.18 2kwb h VAL 113 N -0.60 1.09 -0.20 -1.35 -1.51 -1.90 0.15 116.25 111.94 2kwb h VAL 113 Ca -0.08 -0.64 -0.20 0.00 -1.23 0.00 0.00 66.70 64.55 2kwb h VAL 113 Cb 1.35 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2kwb h VAL 113 CO 0.09 0.18 -0.66 -0.78 -1.23 0.00 0.00 177.57 175.17 2kwb h ASP 114 N 0.00 0.88 -0.13 4.19 1.82 -1.73 0.70 116.42 122.15 2kwb h ASP 114 Ca -0.00 -0.53 -0.03 0.00 -0.39 0.00 0.00 57.03 56.08 2kwb h ASP 114 Cb 0.33 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2kwb h ASP 114 CO 0.02 1.31 -0.04 0.00 -1.61 0.00 0.00 179.24 178.93 2kwb h ALA 115 N 0.69 0.18 -0.39 -0.78 0.00 -1.50 0.34 119.26 117.80 2kwb h ALA 115 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2kwb h ALA 115 Cb 1.27 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2kwb h ALA 115 CO 0.14 -0.07 0.00 0.35 0.00 0.00 0.00 179.25 179.68 2kwb h PHE 116 N -0.07 -0.01 -0.45 0.00 3.57 -0.75 -0.53 116.94 118.70 2kwb h PHE 116 Ca 0.03 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 2kwb h PHE 116 Cb 0.47 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 2kwb h PHE 116 CO 0.06 -0.07 0.09 -0.22 -2.23 0.00 0.00 178.31 175.94 2kwb h LYS 117 N 0.11 0.22 -0.73 1.11 3.64 -0.79 -0.62 116.57 119.51 2kwb h LYS 117 Ca 0.19 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2kwb h LYS 117 Cb 0.26 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2kwb h LYS 117 CO -0.31 0.14 0.42 -0.22 -2.27 0.00 0.00 179.45 177.21 2kwb h LYS 118 N 0.23 0.72 0.64 1.90 3.11 -0.06 0.84 116.57 123.94 2kwb h LYS 118 Ca 0.22 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.99 2kwb h LYS 118 Cb 0.28 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.36 2kwb h LYS 118 CO -0.29 0.48 -0.31 0.87 -2.81 0.00 0.00 179.45 177.39 2kwb h LYS 119 N 0.74 -0.83 -0.48 1.90 1.79 -0.66 -2.13 116.57 116.90 2kwb h LYS 119 Ca 0.34 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 2kwb h LYS 119 Cb 0.24 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2kwb h LYS 119 CO -0.20 -0.55 0.27 0.97 -1.08 0.00 0.00 179.45 178.85 2kwb h ILE 120 N -1.18 1.15 -0.38 1.86 6.09 -1.04 -0.30 117.51 123.70 2kwb h ILE 120 Ca -0.09 -0.37 -0.08 0.00 -1.37 0.00 0.00 64.86 62.95 2kwb h ILE 120 Cb 0.66 0.50 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 2kwb h ILE 120 CO 0.14 0.16 -0.06 -0.61 -3.07 0.00 0.00 178.15 174.71 2kwb h GLN 121 N 0.67 0.72 -0.54 2.19 5.75 -0.92 -1.59 115.11 121.37 2kwb h GLN 121 Ca 0.17 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2kwb h GLN 121 Cb 0.02 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2kwb h GLN 121 CO -0.03 0.85 0.35 0.78 -2.65 0.00 0.00 178.83 178.13 2kwb h GLY 122 N 0.52 0.77 0.81 2.39 0.00 -0.58 0.30 103.07 107.28 2kwb h GLY 122 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2kwb h GLY 122 CO 0.03 0.29 -0.07 -0.25 0.00 0.00 0.00 176.54 176.54 2kwb h TRP 123 N 0.74 -0.17 -0.42 5.60 7.01 -0.83 -2.42 115.95 125.45 2kwb h TRP 123 Ca 0.20 -0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.08 2kwb h TRP 123 Cb -0.06 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2kwb h TRP 123 CO 0.00 0.05 -0.20 -0.39 -2.79 0.00 0.00 178.44 175.12 2kwb h VAL 124 N -0.38 1.27 -0.42 2.65 -1.51 -1.01 0.17 116.25 117.01 2kwb h VAL 124 Ca -0.02 -1.32 0.03 0.00 -1.23 0.00 0.00 66.70 64.17 2kwb h VAL 124 Cb 0.31 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.58 2kwb h VAL 124 CO 0.03 0.45 0.21 0.58 -1.23 0.00 0.00 177.57 177.60 2kwb h VAL 125 N 0.73 0.97 -0.05 7.19 2.07 -0.97 0.13 116.25 126.30 2kwb h VAL 125 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2kwb h VAL 125 Cb 0.72 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2kwb h VAL 125 CO 0.06 0.08 -0.02 0.28 0.02 0.00 0.00 177.57 177.98 2kwb h SER 126 N 0.42 0.11 -0.79 0.57 0.02 -1.27 -3.14 113.55 109.47 2kwb h SER 126 Ca 0.18 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2kwb h SER 126 Cb 0.09 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2kwb h SER 126 CO -0.13 0.47 0.46 0.25 -1.14 0.00 0.00 176.83 176.74 2kwb h LEU 127 N -0.26 0.97 -0.53 5.07 5.85 -0.47 -2.40 115.31 123.54 2kwb h LEU 127 Ca 0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kwb h LEU 127 Cb 0.43 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2kwb h LEU 127 CO 0.01 0.77 0.00 0.18 -0.34 0.00 0.00 178.44 179.06 2kwb n LEU 128 N -4.45 0.80 -4.57 2.25 4.77 0.42 -4.71 117.00 111.52 2kwb n LEU 128 Ca 0.08 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 2kwb n LEU 128 Cb 0.07 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2kwb n LEU 128 CO 0.38 0.16 1.32 0.00 -1.33 0.00 0.00 177.39 177.92 2kwb s ALA 129 N -1.92 1.32 0.66 -1.18 0.00 -0.91 -4.80 121.76 114.94 2kwb s ALA 129 Ca 0.33 -1.50 0.32 0.00 0.00 0.00 0.00 51.96 51.11 2kwb s ALA 129 Cb 0.16 -4.61 1.76 0.00 0.00 0.00 0.00 23.12 20.44 2kwb s ALA 129 CO 0.26 -5.44 2.00 1.57 0.00 0.00 0.00 175.76 174.15 2kwb h LYS 130 N 11.26 0.00 -0.17 0.00 2.10 -1.89 -0.03 116.57 127.84 2kwb h LYS 130 Ca 0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2kwb h LYS 130 Cb 0.99 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 2kwb h LYS 130 CO 1.14 0.00 0.04 -0.44 -2.00 0.00 0.00 179.45 178.19 2kwb h ASP 131 N 0.00 0.27 0.00 7.07 5.19 -1.98 -3.12 116.42 123.85 2kwb h ASP 131 Ca 0.01 -0.24 -0.19 0.00 -0.62 0.00 0.00 57.03 55.99 2kwb h ASP 131 Cb 0.57 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 2kwb h ASP 131 CO -0.00 0.44 -1.70 0.54 -3.12 0.00 0.00 179.24 175.40 2kwb n ARG 132 N -4.79 2.19 0.00 3.56 5.12 -1.07 -4.70 116.66 116.97 2kwb n ARG 132 Ca -0.05 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.01 2kwb n ARG 132 Cb 0.17 -1.26 0.50 0.00 -1.16 0.00 0.00 32.46 30.71 2kwb n ARG 132 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kwb n PHE 133 N -2.41 0.00 0.31 -1.55 3.01 -0.05 -3.14 117.46 113.63 2kwb n PHE 133 Ca -0.17 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.49 2kwb n PHE 133 Cb 0.83 -0.25 0.96 0.00 -0.01 0.00 0.00 39.48 41.00 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 0.39 0.00 -0.00 -1.08 3.64 -1.67 -1.91 116.57 115.94 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 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2kwb h LYS 134 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 2kwb n ASN 135 N -3.05 0.00 -4.92 4.20 4.13 -1.19 -4.84 115.26 109.60 2kwb n ASN 135 Ca -0.01 -1.89 -0.26 0.00 1.68 0.00 0.00 54.58 54.09 2kwb n ASN 135 Cb 0.18 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 2kwb n ASN 135 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kwb s LEU 136 N -1.00 3.64 -0.03 3.41 1.43 -0.72 -4.89 118.68 120.52 2kwb s LEU 136 Ca 0.00 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2kwb s LEU 136 Cb 0.00 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2kwb s LEU 136 CO 0.00 -0.61 -0.20 0.00 0.23 0.00 0.00 176.35 175.77 2kwb s ALA 137 N -2.68 1.69 -0.38 4.21 0.00 -1.09 -4.93 121.76 118.57 2kwb s ALA 137 Ca 0.47 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2kwb s ALA 137 Cb -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.59 2kwb s ALA 137 CO 0.43 0.36 0.19 -0.06 0.00 0.00 0.00 175.76 176.68 2kwb s PHE 138 N -0.23 3.31 -0.04 0.00 0.08 -0.87 -0.06 117.98 120.18 2kwb s PHE 138 Ca 0.02 -1.49 -0.03 0.00 0.12 0.00 0.00 56.93 55.55 2kwb s PHE 138 Cb -0.10 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 2kwb s PHE 138 CO 0.01 -0.79 0.11 -0.06 -0.10 0.00 0.00 175.22 174.39 2kwb s PHE 139 N 1.41 3.41 0.08 0.36 0.40 -0.35 0.25 117.98 123.55 2kwb s PHE 139 Ca 0.02 0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.72 2kwb s PHE 139 Cb -0.21 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 2kwb s PHE 139 CO 0.02 0.61 -0.14 -1.50 0.70 0.00 0.00 175.22 174.91 2kwb s ILE 140 N -1.15 1.14 0.27 0.64 2.07 -0.42 -0.70 121.20 123.05 2kwb s ILE 140 Ca 0.21 -1.38 -0.30 0.00 -1.41 0.00 0.00 60.65 57.77 2kwb s ILE 140 Cb -0.12 -1.15 -0.13 0.00 0.13 0.00 0.00 42.46 41.19 2kwb s ILE 140 CO 0.11 -0.26 1.44 0.61 -1.91 0.00 0.00 174.94 174.93 2kwb n GLY 141 N 1.15 0.90 0.36 1.50 0.00 -1.26 -0.49 105.19 107.35 2kwb n GLY 141 Ca -0.20 0.46 0.08 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 4.10 0.91 0.33 1.61 4.81 -0.78 0.40 114.58 125.96 2kwb h GLU 142 Ca -0.46 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2kwb h GLU 142 Cb 1.26 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2kwb h GLU 142 CO 0.75 0.60 -0.16 -0.09 -0.73 0.00 0.00 179.01 179.38 2kwb h ARG 143 N 0.94 -0.43 0.00 1.92 2.43 -1.90 -3.21 114.38 114.13 2kwb h ARG 143 Ca 0.50 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.69 2kwb h ARG 143 Cb 0.56 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kwb h ARG 143 CO -0.27 -0.10 -0.03 0.00 -1.51 0.00 0.00 179.97 178.06 2kwb h ALA 144 N -0.49 1.51 0.00 2.80 0.00 -1.85 -2.69 119.26 118.54 2kwb h ALA 144 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kwb h ALA 144 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kwb h ALA 144 CO 0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2kwb h ALA 145 N 1.97 1.00 0.00 0.00 0.00 -0.21 -0.01 119.26 122.01 2kwb h ALA 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kwb h ALA 145 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kwb h ALA 145 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.34 2kwb n GLU 146 N -2.93 0.09 0.00 0.00 4.07 -1.01 -4.87 120.64 115.99 2kwb n GLU 146 Ca -0.02 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 2kwb n GLU 146 Cb 0.10 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 2kwb n GLU 146 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kwb n GLY 147 N 0.07 0.94 0.00 8.31 0.00 -0.03 -5.07 105.19 109.40 2kwb n GLY 147 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kwb n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kwb n ALA 148 N 0.00 -0.35 -0.74 4.61 0.00 -1.10 -4.91 120.51 118.01 2kwb n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kwb n ALA 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kwb n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kwb n GLU 149 N -1.74 0.00 0.12 0.00 1.02 -1.26 -5.08 120.64 113.70 2kwb n GLU 149 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kwb n GLU 149 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2kwb n GLU 149 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kwb n ASN 150 N -1.39 0.15 0.00 1.62 4.13 -1.26 -5.11 115.26 113.39 2kwb n ASN 150 Ca 0.00 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 2kwb n ASN 150 Cb 0.00 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 2kwb n ASN 150 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kwb n GLY 151 N 2.02 2.34 3.61 7.41 0.00 -1.26 -4.93 105.19 114.38 2kwb n GLY 151 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 2kwb n GLY 151 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kwb s GLN 152 N -5.01 3.68 -1.05 1.61 0.74 -1.26 -4.95 119.66 113.43 2kwb s GLN 152 Ca 0.00 1.18 -0.23 0.00 0.05 0.00 0.00 55.36 56.37 2kwb s GLN 152 Cb 0.00 -4.00 0.03 0.00 1.10 0.00 0.00 33.01 30.14 2kwb s GLN 152 CO 0.00 -1.43 1.62 0.08 -0.55 0.00 0.00 175.29 175.01 2kwb s VAL 153 N 5.24 3.84 -0.28 1.34 1.01 -1.26 -4.14 120.40 126.14 2kwb s VAL 153 Ca 0.63 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 2kwb s VAL 153 Cb -0.17 -4.85 0.01 0.00 0.00 0.00 0.00 36.38 31.37 2kwb s VAL 153 CO 0.29 -1.71 1.09 0.00 0.00 0.00 0.00 175.10 174.78 2kwb s ALA 154 N 6.17 3.55 -0.00 5.51 0.00 0.13 -4.83 121.76 132.28 2kwb s ALA 154 Ca 0.53 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 2kwb s ALA 154 Cb -0.01 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2kwb s ALA 154 CO -0.04 -1.37 0.61 0.42 0.00 0.00 0.00 175.76 175.38 2kwb s ILE 155 N 3.57 4.90 -0.32 0.00 1.01 -1.09 -1.21 121.20 128.07 2kwb s ILE 155 Ca 0.46 1.28 -0.10 0.00 0.00 0.00 0.00 60.65 62.28 2kwb s ILE 155 Cb -0.14 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2kwb s ILE 155 CO 0.13 0.41 0.18 -0.63 0.00 0.00 0.00 174.94 175.03 2kwb s ILE 156 N -0.14 4.78 0.01 2.92 -1.09 0.91 -0.23 121.20 128.35 2kwb s ILE 156 Ca 0.32 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.38 2kwb s ILE 156 Cb -0.18 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2kwb s ILE 156 CO 0.18 0.04 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.22 2kwb s GLU 157 N 1.64 2.73 -0.30 2.79 2.12 -0.28 -2.67 118.70 124.72 2kwb s GLU 157 Ca 0.05 -0.66 -0.20 0.00 0.36 0.00 0.00 54.97 54.52 2kwb s GLU 157 Cb -0.17 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 2kwb s GLU 157 CO 0.07 0.61 0.63 1.52 -0.54 0.00 0.00 175.26 177.56 2kwb s TYR 158 N -1.11 3.22 -0.05 5.30 1.13 -1.26 -0.79 117.35 123.79 2kwb s TYR 158 Ca 0.20 0.60 0.01 0.00 -1.41 0.00 0.00 57.07 56.47 2kwb s TYR 158 Cb -0.11 -2.99 0.02 0.00 -1.10 0.00 0.00 41.96 37.78 2kwb s TYR 158 CO 0.11 -0.47 -0.07 1.03 -2.51 0.00 0.00 175.55 173.64 2kwb s ARG 159 N 2.61 1.09 -0.33 -3.49 1.81 -0.73 -4.97 118.95 114.95 2kwb s ARG 159 Ca 0.25 -0.19 -0.26 0.00 -1.72 0.00 0.00 55.73 53.82 2kwb s ARG 159 Cb -0.15 -1.03 0.01 0.00 -0.45 0.00 0.00 34.95 33.33 2kwb s ARG 159 CO 0.12 -0.07 0.92 -0.51 -0.68 0.00 0.00 175.30 175.07 2kwb s ASP 160 N 0.93 6.76 -0.34 0.23 1.01 -1.26 -1.77 116.67 122.23 2kwb s ASP 160 Ca -0.11 0.76 -0.02 0.00 0.71 0.00 0.00 52.55 53.90 2kwb s ASP 160 Cb -0.15 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.39 2kwb s ASP 160 CO 0.00 -0.77 0.07 -0.69 0.21 0.00 0.00 175.17 173.99 2kwb s VAL 161 N 3.32 3.01 -2.05 -1.27 1.01 0.23 -4.62 120.40 120.03 2kwb s VAL 161 Ca 0.38 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2kwb s VAL 161 Cb -0.13 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kwb s VAL 161 CO 0.15 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.39 2kwb n ASP 162 N 4.58 -5.64 0.00 3.32 8.00 -1.26 -1.13 116.55 124.42 2kwb n ASP 162 Ca -0.08 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2kwb n ASP 162 Cb 0.43 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 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 -0.62 3.02 3.73 0.44 0.00 -1.26 -5.07 105.19 105.42 2kwb n GLY 163 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.80 4.74 -0.71 2.61 2.01 -0.28 -5.00 115.64 116.21 2kwb s THR 164 Ca 0.00 1.86 -0.23 0.00 0.31 0.00 0.00 61.69 63.63 2kwb s THR 164 Cb 0.00 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.35 2kwb s THR 164 CO 0.00 0.28 1.06 -1.83 -0.69 0.00 0.00 174.62 173.44 2kwb s GLU 165 N 0.37 3.18 0.08 4.92 4.04 -1.26 -0.60 118.70 129.43 2kwb s GLU 165 Ca 0.45 -0.80 0.09 0.00 0.04 0.00 0.00 54.97 54.75 2kwb s GLU 165 Cb -0.21 -4.32 -0.03 0.00 0.02 0.00 0.00 34.13 29.59 2kwb s GLU 165 CO 0.26 -1.90 -0.24 0.14 -1.84 0.00 0.00 175.26 171.68 2kwb s VAL 166 N 4.34 2.00 -0.23 1.83 -7.23 -0.73 -4.75 120.40 115.62 2kwb s VAL 166 Ca 0.26 -1.49 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 2kwb s VAL 166 Cb -0.13 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kwb s VAL 166 CO 0.09 0.17 0.81 -2.16 -0.31 0.00 0.00 175.10 173.69 2kwb s PRO 167 N -1.60 4.20 -0.15 4.82 0.04 -1.26 -1.77 135.00 139.29 2kwb s PRO 167 Ca 0.11 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 61.90 2kwb s PRO 167 Cb -0.10 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2kwb s PRO 167 CO 0.04 -0.46 0.38 0.95 0.04 0.00 0.00 177.00 177.94 2kwb s THR 168 N 2.65 5.25 -0.20 1.26 -4.23 0.03 -2.35 115.64 118.05 2kwb s THR 168 Ca 0.35 0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 61.37 2kwb s THR 168 Cb -0.16 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 2kwb s THR 168 CO 0.08 0.35 0.68 -0.22 -0.54 0.00 0.00 174.62 174.98 2kwb s LEU 169 N 0.60 4.14 -0.21 4.79 2.96 -0.17 -1.13 118.68 129.66 2kwb s LEU 169 Ca 0.21 0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 54.85 2kwb s LEU 169 Cb -0.14 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 2kwb s LEU 169 CO 0.07 -0.32 0.47 -0.04 -1.32 0.00 0.00 176.35 175.21 2kwb s MET 170 N 2.05 4.17 0.02 1.98 -1.94 0.68 -1.15 119.30 125.10 2kwb s MET 170 Ca 0.31 0.32 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 2kwb s MET 170 Cb -0.16 -3.56 -0.01 0.00 2.01 0.00 0.00 34.83 33.10 2kwb s MET 170 CO 0.10 -0.13 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.37 2kwb s LEU 171 N 1.60 2.10 -0.25 -0.03 1.43 -0.47 -2.66 118.68 120.40 2kwb s LEU 171 Ca 0.22 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2kwb s LEU 171 Cb -0.15 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2kwb s LEU 171 CO 0.09 0.04 0.14 -0.69 0.23 0.00 0.00 176.35 176.16 2kwb s VAL 172 N -0.60 5.03 0.34 -1.59 1.01 -1.26 0.03 120.40 123.36 2kwb s VAL 172 Ca 0.01 0.07 0.14 0.00 0.00 0.00 0.00 61.98 62.20 2kwb s VAL 172 Cb -0.06 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.05 2kwb s VAL 172 CO 0.00 0.33 1.79 0.07 0.00 0.00 0.00 175.10 177.29 2kwb h LYS 173 N 7.87 0.00 -0.21 2.72 2.10 -1.77 0.18 116.57 127.47 2kwb h LYS 173 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2kwb h LYS 173 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kwb h LYS 173 CO 0.61 0.40 0.00 -0.85 -2.00 0.00 0.00 179.45 177.61 2kwb n GLU 174 N -3.97 1.71 -0.01 0.07 0.00 -1.26 -3.58 120.64 113.60 2kwb n GLU 174 Ca -0.02 -1.08 0.01 0.00 0.00 0.00 0.00 57.16 56.08 2kwb n GLU 174 Cb 0.44 -1.35 -0.05 0.00 0.00 0.00 0.00 31.44 30.48 2kwb n GLU 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kwb n ALA 175 N 0.32 2.13 -2.84 -1.84 0.00 -0.34 -4.93 120.51 113.01 2kwb n ALA 175 Ca 0.15 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2kwb n ALA 175 Cb 0.31 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.37 1.04 -0.37 0.00 -4.36 0.50 -0.26 121.20 115.39 2kwb s ILE 176 Ca -0.03 -0.52 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 2kwb s ILE 176 Cb 0.04 -0.90 0.02 0.00 1.25 0.00 0.00 42.46 42.87 2kwb s ILE 176 CO 0.27 0.31 0.22 -0.63 0.24 0.00 0.00 174.94 175.35 2kwb s ILE 177 N -0.02 4.73 -0.79 8.37 -1.09 0.51 -4.55 121.20 128.35 2kwb s ILE 177 Ca -0.00 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.40 2kwb s ILE 177 Cb -0.08 -3.61 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2kwb s ILE 177 CO 0.01 -0.21 1.67 -1.61 -1.23 0.00 0.00 174.94 173.56 2kwb s GLU 178 N 1.59 2.92 -0.28 2.79 0.41 -1.26 -2.12 118.70 122.74 2kwb s GLU 178 Ca 0.03 -0.14 -0.16 0.00 -0.41 0.00 0.00 54.97 54.30 2kwb s GLU 178 Cb -0.19 -4.68 -0.03 0.00 -1.78 0.00 0.00 34.13 27.45 2kwb s GLU 178 CO 0.07 -2.65 0.40 -2.00 -0.49 0.00 0.00 175.26 170.59 2kwb s GLU 179 N 6.34 3.94 -0.51 1.61 2.12 -0.74 -5.01 118.70 126.46 2kwb s GLU 179 Ca 0.56 0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.62 2kwb s GLU 179 Cb -0.08 -3.68 0.02 0.00 0.26 0.00 0.00 34.13 30.65 2kwb s GLU 179 CO 0.08 -0.35 1.27 -1.59 -0.54 0.00 0.00 175.26 174.14 2kwb s LYS 180 N 2.13 3.54 -0.56 4.30 -2.85 -1.26 -2.46 119.74 122.57 2kwb s LYS 180 Ca 0.16 0.53 -0.01 0.00 -1.00 0.00 0.00 55.97 55.65 2kwb s LYS 180 Cb -0.16 -4.01 0.15 0.00 -2.06 0.00 0.00 37.83 31.75 2kwb s LYS 180 CO 0.10 -1.62 0.35 0.00 0.10 0.00 0.00 175.35 174.28 2kwb n LEU 182 N 3.51 5.94 -0.75 0.00 4.77 -1.26 -0.23 117.00 128.98 2kwb n LEU 182 Ca 0.06 -3.90 0.13 0.00 -0.03 0.00 0.00 56.01 52.27 2kwb n LEU 182 Cb 0.37 -0.76 0.28 0.00 -2.33 0.00 0.00 43.42 40.98 2kwb n LEU 182 CO 0.33 1.30 0.73 1.21 -1.33 0.00 0.00 177.39 179.63