#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kbw n LEU 14 N 0.00 -1.23 -4.77 4.31 4.77 -1.26 -4.87 117.00 113.95 1kbw n LEU 14 Ca 0.00 1.83 -0.38 0.00 -0.03 0.00 0.00 56.01 57.43 1kbw n LEU 14 Cb 0.00 -2.55 -0.02 0.00 -2.33 0.00 0.00 43.42 38.52 1kbw n LEU 14 CO 0.00 0.02 0.85 -2.84 -1.33 0.00 0.00 177.39 174.09 1kbw s PRO 15 N -3.83 4.02 -0.05 3.23 0.02 -1.26 -4.65 135.00 132.47 1kbw s PRO 15 Ca 0.00 1.86 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 1kbw s PRO 15 Cb 0.00 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 1kbw s PRO 15 CO 0.00 -0.35 0.47 0.08 -0.33 0.00 0.00 177.00 176.86 1kbw s VAL 16 N -1.41 5.07 -0.06 3.83 1.01 -1.26 -0.87 120.40 126.71 1kbw s VAL 16 Ca 0.58 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1kbw s VAL 16 Cb -0.31 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1kbw s VAL 16 CO 0.39 0.44 -0.04 -0.63 0.00 0.00 0.00 175.10 175.26 1kbw s ILE 17 N -0.17 0.58 -0.35 2.22 1.01 0.34 -4.94 121.20 119.88 1kbw s ILE 17 Ca 0.26 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 1kbw s ILE 17 Cb -0.16 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.69 1kbw s ILE 17 CO 0.12 0.25 0.82 -1.81 0.00 0.00 0.00 174.94 174.33 1kbw s ASP 18 N 1.21 6.62 0.37 3.58 1.01 -1.26 0.68 116.67 128.87 1kbw s ASP 18 Ca -0.06 0.50 -0.28 0.00 0.71 0.00 0.00 52.55 53.42 1kbw s ASP 18 Cb -0.14 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1kbw s ASP 18 CO -0.02 -0.73 1.38 0.00 0.21 0.00 0.00 175.17 176.01 1kbw s ALA 19 N 3.16 3.45 -0.43 5.23 0.00 -0.06 -4.90 121.76 128.21 1kbw s ALA 19 Ca 0.33 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 1kbw s ALA 19 Cb -0.13 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1kbw s ALA 19 CO 0.16 -0.87 0.40 0.08 0.00 0.00 0.00 175.76 175.53 1kbw s VAL 20 N -1.16 5.15 -0.09 0.00 1.01 -1.26 -4.90 120.40 119.14 1kbw s VAL 20 Ca 0.53 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1kbw s VAL 20 Cb -0.42 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1kbw s VAL 20 CO 0.56 -0.45 0.04 0.42 0.00 0.00 0.00 175.10 175.67 1kbw s THR 21 N 1.94 4.65 0.01 3.92 -4.23 -1.26 -4.62 115.64 116.05 1kbw s THR 21 Ca 0.09 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1kbw s THR 21 Cb -0.19 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1kbw s THR 21 CO 0.11 0.60 -0.08 0.42 -0.54 0.00 0.00 174.62 175.14 1kbw s THR 22 N -0.93 3.55 0.62 3.99 -4.23 -1.07 -4.85 115.64 112.72 1kbw s THR 22 Ca 0.14 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.66 1kbw s THR 22 Cb -0.12 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1kbw s THR 22 CO 0.03 0.37 1.05 -1.00 -0.54 0.00 0.00 174.62 174.53 1kbw s HIS 23 N -1.00 3.05 0.25 3.99 3.76 -1.26 -1.62 115.29 122.45 1kbw s HIS 23 Ca 0.17 1.48 -0.24 0.00 -0.15 0.00 0.00 55.06 56.32 1kbw s HIS 23 Cb -0.11 -2.96 -0.09 0.00 1.11 0.00 0.00 32.58 30.53 1kbw s HIS 23 CO 0.08 -1.11 0.85 0.00 -0.85 0.00 0.00 174.74 173.71 1kbw s ALA 24 N -2.63 3.33 0.00 -1.40 0.00 -1.26 -2.74 121.76 117.06 1kbw s ALA 24 Ca 0.62 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1kbw s ALA 24 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1kbw s ALA 24 CO 0.42 0.25 0.00 -2.30 0.00 0.00 0.00 175.76 174.12 1kbw n PRO 25 N 0.89 0.00 -2.62 0.00 -0.02 -1.24 -5.03 135.00 126.98 1kbw n PRO 25 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 1kbw n PRO 25 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.93 1kbw n PRO 25 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1kbw s GLU 26 N 0.00 4.28 0.00 -0.52 2.02 -1.11 0.05 118.70 123.43 1kbw s GLU 26 Ca 0.00 1.44 0.08 0.00 0.02 0.00 0.00 54.97 56.51 1kbw s GLU 26 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 1kbw s GLU 26 CO 0.00 -0.02 -0.25 0.08 0.02 0.00 0.00 175.26 175.09 1kbw s VAL 27 N -1.68 2.22 0.90 2.63 1.01 -1.26 -4.52 120.40 119.69 1kbw s VAL 27 Ca 0.56 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1kbw s VAL 27 Cb -0.20 -1.82 0.13 0.00 0.00 0.00 0.00 36.38 34.50 1kbw s VAL 27 CO 0.26 0.50 1.11 -2.84 0.00 0.00 0.00 175.10 174.13 1kbw s PRO 28 N -0.86 1.18 0.61 2.72 0.02 -1.26 -4.94 135.00 132.46 1kbw s PRO 28 Ca 0.11 1.31 -0.19 0.00 0.02 0.00 0.00 61.00 62.25 1kbw s PRO 28 Cb -0.10 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1kbw s PRO 28 CO 0.00 -2.44 1.20 -2.30 -0.33 0.00 0.00 177.00 173.14 1kbw n PRO 29 N -4.08 1.17 -2.00 5.54 -0.02 -1.26 -4.94 135.00 129.42 1kbw n PRO 29 Ca 0.10 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.67 1kbw n PRO 29 Cb 0.53 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1kbw n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbw s ALA 30 N -1.40 2.53 -0.24 3.55 0.00 -1.26 -4.90 121.76 120.05 1kbw s ALA 30 Ca 0.78 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 1kbw s ALA 30 Cb -0.40 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1kbw s ALA 30 CO 0.44 -1.19 1.58 0.42 0.00 0.00 0.00 175.76 177.02 1kbw s ILE 31 N -1.58 3.74 -0.71 0.00 -1.09 -1.26 -4.92 121.20 115.39 1kbw s ILE 31 Ca 0.78 0.83 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 1kbw s ILE 31 Cb -0.31 -3.76 0.37 0.00 -1.58 0.00 0.00 42.46 37.18 1kbw s ILE 31 CO 0.33 -0.32 1.68 0.47 -1.23 0.00 0.00 174.94 175.86 1kbw n ASP 32 N 8.41 6.47 -3.83 3.58 8.00 -1.26 -4.95 116.55 132.98 1kbw n ASP 32 Ca 0.18 -3.79 -0.12 0.00 0.71 0.00 0.00 54.79 51.78 1kbw n ASP 32 Cb 0.45 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 1kbw n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kbw s ARG 33 N -3.89 0.47 -0.25 -1.24 1.70 -1.26 -5.06 118.95 109.42 1kbw s ARG 33 Ca 0.50 -0.18 0.09 0.00 -0.47 0.00 0.00 55.73 55.68 1kbw s ARG 33 Cb 0.41 0.21 0.44 0.00 -0.57 0.00 0.00 34.95 35.44 1kbw s ARG 33 CO -0.32 -0.11 1.20 -0.40 -1.08 0.00 0.00 175.30 174.59 1kbw n ASP 34 N 1.78 3.48 -3.91 -2.89 5.75 -1.26 -5.01 116.55 114.50 1kbw n ASP 34 Ca -0.20 -3.77 -0.10 0.00 -0.01 0.00 0.00 54.79 50.71 1kbw n ASP 34 Cb 0.56 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1kbw n ASP 34 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1kbw s TYR 35 N -3.41 0.14 0.66 2.11 -0.85 -1.26 -5.15 117.35 109.59 1kbw s TYR 35 Ca 0.45 -0.35 -0.16 0.00 -0.52 0.00 0.00 57.07 56.49 1kbw s TYR 35 Cb 0.39 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.62 1kbw s TYR 35 CO -0.01 -0.32 1.15 -2.14 -1.52 0.00 0.00 175.55 172.71 1kbw s PRO 36 N -1.99 2.70 0.18 -3.49 0.02 -1.26 -5.02 135.00 126.14 1kbw s PRO 36 Ca -0.10 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.34 1kbw s PRO 36 Cb -0.05 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.57 1kbw s PRO 36 CO -0.02 -1.36 0.43 0.00 -0.33 0.00 0.00 177.00 175.73 1kbw s ALA 37 N -2.09 -0.61 -0.37 -1.55 0.00 -1.26 -4.38 121.76 111.50 1kbw s ALA 37 Ca 0.71 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 1kbw s ALA 37 Cb -0.24 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1kbw s ALA 37 CO 0.40 -0.74 0.34 0.21 0.00 0.00 0.00 175.76 175.97 1kbw s LYS 38 N -3.90 3.37 -0.34 0.00 2.20 -0.05 -1.35 119.74 119.66 1kbw s LYS 38 Ca 0.12 -0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 54.96 1kbw s LYS 38 Cb 0.01 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 1kbw s LYS 38 CO -0.02 -0.60 0.28 0.08 -0.36 0.00 0.00 175.35 174.73 1kbw s VAL 39 N 1.92 5.25 -0.22 4.02 1.01 0.11 -0.51 120.40 131.98 1kbw s VAL 39 Ca 0.09 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1kbw s VAL 39 Cb -0.17 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1kbw s VAL 39 CO 0.11 -0.05 0.84 -0.13 0.00 0.00 0.00 175.10 175.88 1kbw s ARG 40 N 1.81 4.22 -0.08 2.72 0.52 0.21 -0.85 118.95 127.50 1kbw s ARG 40 Ca 0.08 0.99 0.05 0.00 -0.52 0.00 0.00 55.73 56.32 1kbw s ARG 40 Cb -0.17 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.67 1kbw s ARG 40 CO 0.11 -0.46 -0.23 0.08 0.02 0.00 0.00 175.30 174.82 1kbw s VAL 41 N 2.63 2.21 -0.19 3.52 1.01 0.18 -0.88 120.40 128.89 1kbw s VAL 41 Ca 0.36 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1kbw s VAL 41 Cb -0.16 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1kbw s VAL 41 CO 0.09 0.56 -0.04 -0.54 0.00 0.00 0.00 175.10 175.17 1kbw s LYS 42 N 0.01 3.50 -0.01 2.72 1.02 -1.26 -0.73 119.74 125.00 1kbw s LYS 42 Ca -0.08 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 42 Cb -0.15 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1kbw s LYS 42 CO 0.05 0.02 -0.14 -1.64 -0.92 0.00 0.00 175.35 172.72 1kbw s MET 43 N 0.93 1.14 -0.02 1.68 -1.94 -0.31 -4.97 119.30 115.80 1kbw s MET 43 Ca -0.00 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 1kbw s MET 43 Cb -0.15 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.59 1kbw s MET 43 CO 0.01 0.30 -0.13 -2.00 -0.01 0.00 0.00 175.02 173.19 1kbw s GLU 44 N -0.38 1.15 -0.23 2.03 2.12 -1.26 -0.24 118.70 121.89 1kbw s GLU 44 Ca 0.05 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 1kbw s GLU 44 Cb -0.06 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.22 1kbw s GLU 44 CO -0.00 0.23 0.08 0.95 -0.54 0.00 0.00 175.26 175.98 1kbw s THR 45 N -0.13 4.59 -0.02 -1.70 -4.23 0.69 0.36 115.64 115.20 1kbw s THR 45 Ca 0.02 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1kbw s THR 45 Cb -0.07 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1kbw s THR 45 CO 0.00 0.37 -0.09 0.54 -0.54 0.00 0.00 174.62 174.90 1kbw s VAL 46 N 1.22 0.75 -0.15 2.29 0.11 -0.76 -1.45 120.40 122.41 1kbw s VAL 46 Ca 0.05 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.61 1kbw s VAL 46 Cb -0.14 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1kbw s VAL 46 CO 0.04 0.23 0.32 -1.61 -3.33 0.00 0.00 175.10 170.75 1kbw s GLU 47 N 0.17 4.23 -0.02 1.54 2.02 -1.26 -1.40 118.70 123.98 1kbw s GLU 47 Ca -0.03 0.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.88 1kbw s GLU 47 Cb -0.08 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.79 1kbw s GLU 47 CO 0.00 0.26 0.52 -1.59 0.02 0.00 0.00 175.26 174.47 1kbw s LYS 48 N 0.39 0.91 -0.09 1.61 -2.85 -0.16 -4.96 119.74 114.58 1kbw s LYS 48 Ca 0.18 0.02 -0.20 0.00 -1.00 0.00 0.00 55.97 54.97 1kbw s LYS 48 Cb -0.13 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1kbw s LYS 48 CO 0.05 -0.28 0.56 0.99 0.10 0.00 0.00 175.35 176.77 1kbw s THR 49 N -1.43 5.13 0.28 3.79 2.01 -1.26 -1.02 115.64 123.14 1kbw s THR 49 Ca -0.11 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.06 1kbw s THR 49 Cb -0.02 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1kbw s THR 49 CO 0.06 0.31 0.22 -0.04 -0.69 0.00 0.00 174.62 174.48 1kbw s MET 50 N 0.63 1.54 -0.17 4.92 -1.94 -0.63 -4.96 119.30 118.70 1kbw s MET 50 Ca 0.30 -1.87 -0.24 0.00 -1.71 0.00 0.00 55.69 52.18 1kbw s MET 50 Cb -0.16 0.30 -0.02 0.00 2.01 0.00 0.00 34.83 36.96 1kbw s MET 50 CO 0.13 -0.55 0.77 0.21 -0.01 0.00 0.00 175.02 175.57 1kbw s LYS 51 N -3.72 4.28 -0.09 2.03 2.20 -1.26 -0.99 119.74 122.19 1kbw s LYS 51 Ca 0.40 0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 56.81 1kbw s LYS 51 Cb 0.04 -3.57 -0.28 0.00 -1.51 0.00 0.00 37.83 32.51 1kbw s LYS 51 CO 0.22 -0.27 0.53 1.98 -0.36 0.00 0.00 175.35 177.44 1kbw h MET 52 N 7.33 0.32 -3.59 4.03 1.85 -0.60 -3.45 114.93 120.82 1kbw h MET 52 Ca -0.31 -0.55 -0.14 0.00 -0.61 0.00 0.00 59.70 58.10 1kbw h MET 52 Cb 1.14 0.20 -0.05 0.00 0.43 0.00 0.00 31.60 33.33 1kbw h MET 52 CO 0.81 1.26 0.02 0.34 -0.40 0.00 0.00 176.91 178.94 1kbw s ASP 53 N -7.16 0.41 0.06 1.39 3.68 -1.12 -0.53 116.67 113.40 1kbw s ASP 53 Ca -0.19 -1.26 -0.32 0.00 2.13 0.00 0.00 52.55 52.91 1kbw s ASP 53 Cb 0.06 0.73 -0.11 0.00 -1.45 0.00 0.00 42.92 42.15 1kbw s ASP 53 CO 0.81 -1.44 1.85 -0.67 0.13 0.00 0.00 175.17 175.85 1kbw n ASP 54 N -1.26 3.86 0.00 -0.34 -0.08 -1.26 -1.07 116.55 116.40 1kbw n ASP 54 Ca -0.03 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1kbw n ASP 54 Cb 0.61 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1kbw n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kbw n GLY 55 N 4.26 0.35 3.19 0.27 0.00 -1.26 -4.96 105.19 107.04 1kbw n GLY 55 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1kbw n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kbw s VAL 56 N -1.93 2.47 0.15 1.61 1.01 -0.23 -0.98 120.40 122.50 1kbw s VAL 56 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1kbw s VAL 56 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1kbw s VAL 56 CO 0.00 0.51 0.02 -1.61 0.00 0.00 0.00 175.10 174.01 1kbw s GLU 57 N 1.28 2.50 0.00 2.72 2.02 -0.41 0.16 118.70 126.97 1kbw s GLU 57 Ca 0.04 -1.00 -0.03 0.00 0.02 0.00 0.00 54.97 53.99 1kbw s GLU 57 Cb -0.14 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.65 1kbw s GLU 57 CO -0.09 0.48 0.06 -0.47 0.02 0.00 0.00 175.26 175.26 1kbw s TYR 58 N -1.61 0.10 -0.90 1.61 5.04 -0.16 -0.68 117.35 120.74 1kbw s TYR 58 Ca 0.27 -0.21 -0.17 0.00 -2.44 0.00 0.00 57.07 54.52 1kbw s TYR 58 Cb -0.10 -0.09 0.16 0.00 0.35 0.00 0.00 41.96 42.28 1kbw s TYR 58 CO 0.19 -0.19 1.03 0.50 -1.34 0.00 0.00 175.55 175.74 1kbw s ARG 59 N -1.07 3.60 0.36 4.97 6.06 -1.26 -1.61 118.95 130.00 1kbw s ARG 59 Ca -0.12 -1.95 -0.25 0.00 -2.50 0.00 0.00 55.73 50.91 1kbw s ARG 59 Cb -0.07 -4.79 -0.10 0.00 0.06 0.00 0.00 34.95 30.06 1kbw s ARG 59 CO 0.00 -1.64 0.97 0.71 -2.50 0.00 0.00 175.30 172.84 1kbw s TYR 60 N 2.00 3.54 -0.27 5.12 1.51 -0.19 -4.88 117.35 124.18 1kbw s TYR 60 Ca 0.29 1.72 -0.05 0.00 -1.01 0.00 0.00 57.07 58.02 1kbw s TYR 60 Cb -0.06 -2.95 0.01 0.00 -0.11 0.00 0.00 41.96 38.84 1kbw s TYR 60 CO -0.09 -0.02 0.02 -1.58 -1.11 0.00 0.00 175.55 172.77 1kbw s TRP 61 N -1.72 3.09 0.36 2.71 0.51 -0.30 -0.99 118.94 122.59 1kbw s TRP 61 Ca 0.54 -1.07 0.06 0.00 -2.12 0.00 0.00 56.10 53.50 1kbw s TRP 61 Cb -0.18 -2.18 -0.07 0.00 -0.81 0.00 0.00 33.47 30.24 1kbw s TRP 61 CO 0.23 -0.59 0.01 0.95 -0.51 0.00 0.00 176.95 177.03 1kbw s THR 62 N 1.46 1.71 -0.38 2.01 -4.23 -0.49 -2.67 115.64 113.04 1kbw s THR 62 Ca 0.03 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 1kbw s THR 62 Cb -0.16 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 70.92 1kbw s THR 62 CO -0.00 -0.06 0.19 -0.36 -0.54 0.00 0.00 174.62 173.84 1kbw s PHE 63 N -2.93 3.33 -0.98 3.99 0.08 -1.25 -1.82 117.98 118.39 1kbw s PHE 63 Ca 0.34 -1.59 -0.01 0.00 0.12 0.00 0.00 56.93 55.80 1kbw s PHE 63 Cb 0.08 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1kbw s PHE 63 CO 0.16 -0.81 0.08 -0.25 -0.10 0.00 0.00 175.22 174.30 1kbw n ASP 64 N 4.84 -3.88 0.00 1.36 9.92 0.16 -4.03 116.55 124.92 1kbw n ASP 64 Ca -0.10 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1kbw n ASP 64 Cb 0.43 -3.01 0.00 0.00 -0.64 0.00 0.00 41.12 37.90 1kbw n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kbw n GLY 65 N -1.05 0.64 3.58 0.44 0.00 -1.26 -4.96 105.19 102.58 1kbw n GLY 65 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1kbw n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kbw n ASP 66 N 0.00 -2.18 -4.15 1.61 -0.08 -1.26 -5.02 116.55 105.47 1kbw n ASP 66 Ca 0.00 -2.49 -0.31 0.00 -1.51 0.00 0.00 54.79 50.47 1kbw n ASP 66 Cb 0.00 3.62 -0.17 0.00 2.34 0.00 0.00 41.12 46.91 1kbw n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1kbw s VAL 67 N -2.14 1.91 0.55 5.18 1.01 -1.26 -3.91 120.40 121.74 1kbw s VAL 67 Ca 0.15 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1kbw s VAL 67 Cb -0.05 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.77 1kbw s VAL 67 CO 0.11 0.52 0.75 -0.81 0.00 0.00 0.00 175.10 175.67 1kbw n PRO 68 N 3.95 -0.64 -1.29 2.72 -0.04 -1.26 -3.11 135.00 135.32 1kbw n PRO 68 Ca -0.20 -1.24 -0.30 0.00 -0.04 0.00 0.00 63.50 61.73 1kbw n PRO 68 Cb 0.52 -0.74 0.24 0.00 -0.04 0.00 0.00 33.50 33.47 1kbw n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kbw n GLY 69 N 0.04 -2.40 3.75 0.55 0.00 -0.74 -4.69 105.19 101.70 1kbw n GLY 69 Ca 0.10 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1kbw n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kbw s ARG 70 N -5.61 4.55 0.25 1.61 0.52 -1.26 -4.64 118.95 114.38 1kbw s ARG 70 Ca 0.72 1.89 -0.30 0.00 -0.52 0.00 0.00 55.73 57.53 1kbw s ARG 70 Cb -0.05 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 1kbw s ARG 70 CO 0.54 0.06 1.09 1.41 0.02 0.00 0.00 175.30 178.42 1kbw s MET 71 N -1.15 4.64 -0.09 3.54 -2.45 -0.64 -4.61 119.30 118.54 1kbw s MET 71 Ca 0.48 1.76 0.01 0.00 -1.25 0.00 0.00 55.69 56.68 1kbw s MET 71 Cb -0.33 -3.22 -0.03 0.00 1.25 0.00 0.00 34.83 32.50 1kbw s MET 71 CO 0.42 0.20 -0.09 0.42 1.05 0.00 0.00 175.02 177.01 1kbw s ILE 72 N -0.91 3.45 -0.17 10.11 1.01 -0.88 -2.61 121.20 131.19 1kbw s ILE 72 Ca 0.46 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1kbw s ILE 72 Cb -0.31 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1kbw s ILE 72 CO 0.39 0.56 -0.07 -0.60 0.00 0.00 0.00 174.94 175.23 1kbw s ARG 73 N -0.35 1.58 0.39 2.79 3.52 -1.26 0.42 118.95 126.04 1kbw s ARG 73 Ca 0.04 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1kbw s ARG 73 Cb -0.12 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1kbw s ARG 73 CO 0.02 -0.41 0.17 0.14 -0.81 0.00 0.00 175.30 174.41 1kbw s VAL 74 N 1.59 0.42 -0.01 7.11 -7.23 -0.41 -4.91 120.40 116.96 1kbw s VAL 74 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1kbw s VAL 74 Cb -0.15 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1kbw s VAL 74 CO -0.08 0.00 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.04 1kbw s ARG 75 N -3.65 2.60 0.01 4.82 3.52 -1.26 -0.55 118.95 124.44 1kbw s ARG 75 Ca 0.28 -0.68 -0.36 0.00 -0.13 0.00 0.00 55.73 54.83 1kbw s ARG 75 Cb 0.02 -2.52 -0.15 0.00 -1.56 0.00 0.00 34.95 30.74 1kbw s ARG 75 CO 0.18 0.62 1.54 -1.91 -0.81 0.00 0.00 175.30 174.92 1kbw n GLU 76 N 1.69 1.52 0.00 5.12 2.13 0.85 -0.91 120.64 131.03 1kbw n GLU 76 Ca -0.16 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1kbw n GLU 76 Cb 0.53 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1kbw n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kbw n GLY 77 N 3.30 1.47 3.78 8.31 0.00 0.10 -4.71 105.19 117.45 1kbw n GLY 77 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1kbw n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kbw s ASP 78 N -1.64 5.07 -0.22 1.61 -0.00 -0.09 -4.72 116.67 116.69 1kbw s ASP 78 Ca 0.00 1.87 -0.07 0.00 -0.00 0.00 0.00 52.55 54.35 1kbw s ASP 78 Cb 0.00 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 1kbw s ASP 78 CO 0.00 -1.65 0.07 -0.89 -0.00 0.00 0.00 175.17 172.70 1kbw s THR 79 N -2.61 4.53 -0.34 -1.27 2.01 -0.46 -0.62 115.64 116.89 1kbw s THR 79 Ca 0.64 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.42 1kbw s THR 79 Cb -0.18 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1kbw s THR 79 CO 0.47 0.39 0.19 -0.69 -0.69 0.00 0.00 174.62 174.29 1kbw s VAL 80 N 1.06 4.77 -0.31 3.82 1.01 0.10 0.05 120.40 130.90 1kbw s VAL 80 Ca 0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1kbw s VAL 80 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1kbw s VAL 80 CO 0.03 -0.04 0.21 -0.70 0.00 0.00 0.00 175.10 174.60 1kbw s GLU 81 N 1.63 3.66 -0.20 2.72 2.12 -0.03 -1.75 118.70 126.83 1kbw s GLU 81 Ca 0.04 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 54.78 1kbw s GLU 81 Cb -0.18 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 1kbw s GLU 81 CO 0.07 -0.34 0.05 0.08 -0.54 0.00 0.00 175.26 174.59 1kbw s VAL 82 N 1.73 4.51 -0.44 3.70 1.01 0.77 -0.64 120.40 131.03 1kbw s VAL 82 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1kbw s VAL 82 Cb -0.17 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1kbw s VAL 82 CO 0.10 0.42 0.32 -0.70 0.00 0.00 0.00 175.10 175.24 1kbw s GLU 83 N 0.84 2.75 -0.33 2.72 2.12 0.10 -1.94 118.70 124.95 1kbw s GLU 83 Ca 0.03 -1.44 -0.12 0.00 0.36 0.00 0.00 54.97 53.80 1kbw s GLU 83 Cb -0.14 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.30 1kbw s GLU 83 CO 0.02 -1.01 0.22 0.12 -0.54 0.00 0.00 175.26 174.07 1kbw s PHE 84 N 1.50 3.22 -0.11 5.30 5.36 0.17 -1.17 117.98 132.26 1kbw s PHE 84 Ca 0.03 -0.24 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1kbw s PHE 84 Cb -0.24 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1kbw s PHE 84 CO 0.04 -0.35 -0.19 -1.12 -1.46 0.00 0.00 175.22 172.14 1kbw s SER 85 N 1.70 3.56 -0.36 6.13 0.01 0.67 0.97 113.70 126.39 1kbw s SER 85 Ca 0.06 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 1kbw s SER 85 Cb -0.17 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1kbw s SER 85 CO 0.10 0.18 0.24 0.21 0.41 0.00 0.00 173.24 174.37 1kbw s ASN 86 N 0.25 5.92 0.30 2.44 2.47 -0.61 -0.22 114.94 125.49 1kbw s ASN 86 Ca -0.12 -0.68 -0.26 0.00 0.42 0.00 0.00 52.86 52.21 1kbw s ASN 86 Cb -0.16 -2.10 -0.14 0.00 -1.45 0.00 0.00 41.25 37.39 1kbw s ASN 86 CO 0.07 -0.32 0.75 -3.20 -3.72 0.00 0.00 177.10 170.68 1kbw n ASN 87 N 5.08 0.01 -0.03 -4.21 5.15 -0.53 -0.08 115.26 120.65 1kbw n ASN 87 Ca -0.12 1.09 0.22 0.00 -0.60 0.00 0.00 54.58 55.17 1kbw n ASN 87 Cb 0.48 -1.15 0.70 0.00 -0.53 0.00 0.00 39.78 39.29 1kbw n ASN 87 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1kbw h PRO 88 N 1.40 0.00 -0.00 1.20 0.11 -1.90 -1.51 132.00 131.30 1kbw h PRO 88 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1kbw h PRO 88 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1kbw h PRO 88 CO 0.57 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.09 1kbw n SER 89 N -4.31 0.49 -4.75 -2.05 3.41 -1.26 -4.45 113.62 100.70 1kbw n SER 89 Ca 0.11 -0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 57.85 1kbw n SER 89 Cb 0.69 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 1kbw n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kbw s SER 90 N -2.55 5.17 0.00 4.04 0.01 -0.57 -4.94 113.70 114.86 1kbw s SER 90 Ca 0.26 2.55 0.21 0.00 1.31 0.00 0.00 55.95 60.29 1kbw s SER 90 Cb 0.20 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1kbw s SER 90 CO 0.50 -1.62 1.00 0.35 0.41 0.00 0.00 173.24 173.88 1kbw n THR 91 N -1.38 0.00 -4.01 1.44 -2.24 -1.26 -4.75 114.28 102.08 1kbw n THR 91 Ca 0.13 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1kbw n THR 91 Cb 0.48 1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 69.80 1kbw n THR 91 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1kbw s VAL 92 N -2.59 0.09 0.77 2.28 -7.23 -1.26 -5.04 120.40 107.42 1kbw s VAL 92 Ca 0.15 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1kbw s VAL 92 Cb 0.17 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 35.32 1kbw s VAL 92 CO 0.65 -0.40 1.08 -2.84 -0.31 0.00 0.00 175.10 173.28 1kbw s PRO 93 N -3.98 2.28 0.02 4.82 0.02 -1.26 -4.43 135.00 132.47 1kbw s PRO 93 Ca 0.18 0.90 -0.10 0.00 0.02 0.00 0.00 61.00 61.99 1kbw s PRO 93 Cb 0.05 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1kbw s PRO 93 CO -0.01 -1.55 0.20 -1.01 -0.33 0.00 0.00 177.00 174.30 1kbw s HIS 94 N -3.03 0.01 0.00 6.54 3.76 -0.84 -4.92 115.29 116.81 1kbw s HIS 94 Ca 0.60 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 1kbw s HIS 94 Cb -0.15 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1kbw s HIS 94 CO 0.55 -0.39 0.00 0.27 -0.85 0.00 0.00 174.74 174.32 1kbw n ASN 95 N 0.97 0.00 -3.76 1.40 0.23 -1.26 -0.75 115.26 112.09 1kbw n ASN 95 Ca -0.20 -0.90 -0.13 0.00 -0.53 0.00 0.00 54.58 52.82 1kbw n ASN 95 Cb 0.58 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.15 1kbw n ASN 95 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1kbw s VAL 96 N -2.46 -0.03 -0.27 3.53 0.11 -1.26 -4.11 120.40 115.91 1kbw s VAL 96 Ca 0.00 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1kbw s VAL 96 Cb 0.00 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1kbw s VAL 96 CO 0.00 0.04 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.16 1kbw s ASP 97 N 0.82 4.61 -0.26 3.54 3.68 0.13 -1.90 116.67 127.29 1kbw s ASP 97 Ca -0.06 -1.01 -0.15 0.00 2.13 0.00 0.00 52.55 53.47 1kbw s ASP 97 Cb -0.07 -1.70 -0.04 0.00 -1.45 0.00 0.00 42.92 39.66 1kbw s ASP 97 CO -0.05 -0.18 0.37 -0.36 0.13 0.00 0.00 175.17 175.07 1kbw s PHE 98 N 1.31 3.27 -1.04 -5.34 0.40 0.20 -1.36 117.98 115.42 1kbw s PHE 98 Ca -0.02 0.43 0.12 0.00 -0.60 0.00 0.00 56.93 56.86 1kbw s PHE 98 Cb -0.18 -2.55 0.53 0.00 0.51 0.00 0.00 43.02 41.32 1kbw s PHE 98 CO -0.02 -0.19 1.38 0.72 0.70 0.00 0.00 175.22 177.81 1kbw n HIS 99 N 5.17 0.00 0.63 0.36 8.25 -0.36 -1.45 115.22 127.83 1kbw n HIS 99 Ca -0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.49 1kbw n HIS 99 Cb 0.51 -0.48 0.22 0.00 1.12 0.00 0.00 29.99 31.36 1kbw n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kbw n ALA 100 N -1.48 2.89 -2.60 -1.41 0.00 -1.26 -4.88 120.51 111.77 1kbw n ALA 100 Ca 0.03 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1kbw n ALA 100 Cb 0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1kbw n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kbw s ALA 101 N -3.14 3.75 -0.27 0.00 0.00 -0.53 -4.49 121.76 117.09 1kbw s ALA 101 Ca 0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1kbw s ALA 101 Cb 0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1kbw s ALA 101 CO 0.70 0.52 0.14 0.99 0.00 0.00 0.00 175.76 178.11 1kbw s THR 102 N -1.09 4.82 0.00 0.00 2.01 -1.26 -4.58 115.64 115.53 1kbw s THR 102 Ca 0.22 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1kbw s THR 102 Cb -0.15 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1kbw s THR 102 CO 0.12 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1kbw n GLY 103 N 5.00 2.86 1.21 4.40 0.00 -1.26 -4.95 105.19 112.44 1kbw n GLY 103 Ca -0.15 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 1kbw n GLY 103 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1kbw n GLN 104 N -1.84 0.00 -1.46 1.61 -0.06 -1.26 -0.02 117.38 114.36 1kbw n GLN 104 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 1kbw n GLN 104 Cb 0.00 -0.54 -0.03 0.00 -4.06 0.00 0.00 30.24 25.61 1kbw n GLN 104 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1kbw n GLY 105 N 2.46 0.46 2.47 1.69 0.00 -1.26 -0.83 105.19 110.18 1kbw n GLY 105 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1kbw n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 106 N -0.24 0.88 0.00 -0.02 0.00 0.97 -2.02 105.19 104.76 1kbw n GLY 106 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1kbw n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 107 N -0.81 0.63 0.22 -0.02 0.00 -0.01 -0.63 105.19 104.58 1kbw n GLY 107 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1kbw n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw h ALA 108 N 0.00 0.72 -0.15 4.61 0.00 -0.75 -0.76 119.26 122.92 1kbw h ALA 108 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kbw h ALA 108 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kbw h ALA 108 CO 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.15 1kbw h ALA 109 N 1.35 0.20 0.00 0.00 0.00 -1.84 -2.70 119.26 116.26 1kbw h ALA 109 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kbw h ALA 109 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kbw h ALA 109 CO -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1kbw h ALA 110 N 0.86 1.00 -0.38 0.00 0.00 -1.82 -3.15 119.26 115.77 1kbw h ALA 110 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kbw h ALA 110 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kbw h ALA 110 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1kbw n THR 111 N -2.84 1.27 -1.73 0.00 -2.24 -0.31 -4.61 114.28 103.82 1kbw n THR 111 Ca 0.01 -1.16 -0.43 0.00 -2.27 0.00 0.00 64.05 60.19 1kbw n THR 111 Cb 0.27 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1kbw n THR 111 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1kbw s PHE 112 N -1.37 1.37 -0.15 4.78 5.36 -1.03 -4.18 117.98 122.76 1kbw s PHE 112 Ca 0.30 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1kbw s PHE 112 Cb 0.18 -4.00 0.03 0.00 -0.34 0.00 0.00 43.02 38.89 1kbw s PHE 112 CO 0.16 -3.81 -0.09 0.99 -1.46 0.00 0.00 175.22 171.01 1kbw s THR 113 N 7.66 1.32 0.81 0.12 2.01 0.07 -4.94 115.64 122.69 1kbw s THR 113 Ca 0.93 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1kbw s THR 113 Cb -0.30 -1.36 0.08 0.00 0.01 0.00 0.00 72.50 70.93 1kbw s THR 113 CO 0.35 0.30 1.09 0.00 -0.69 0.00 0.00 174.62 175.66 1kbw s ALA 114 N 1.57 2.06 0.49 7.40 0.00 -1.26 -2.00 121.76 130.02 1kbw s ALA 114 Ca 0.03 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 1kbw s ALA 114 Cb -0.14 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1kbw s ALA 114 CO -0.09 -1.90 1.24 -2.30 0.00 0.00 0.00 175.76 172.71 1kbw n PRO 115 N -3.58 1.66 -0.90 0.00 -0.02 -1.26 -2.15 135.00 128.74 1kbw n PRO 115 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1kbw n PRO 115 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1kbw n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kbw n GLY 116 N 0.89 0.46 3.64 -1.23 0.00 0.89 -4.85 105.19 104.97 1kbw n GLY 116 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1kbw n GLY 116 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kbw s ARG 117 N -0.59 2.17 -0.04 1.61 3.52 -0.91 -4.88 118.95 119.83 1kbw s ARG 117 Ca 0.00 -1.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.04 1kbw s ARG 117 Cb 0.00 -2.05 0.01 0.00 -1.56 0.00 0.00 34.95 31.35 1kbw s ARG 117 CO 0.00 0.24 -0.12 0.99 -0.81 0.00 0.00 175.30 175.60 1kbw s THR 118 N -2.43 1.02 0.18 4.11 2.01 -1.26 -1.57 115.64 117.70 1kbw s THR 118 Ca 0.34 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.96 1kbw s THR 118 Cb -0.03 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1kbw s THR 118 CO 0.20 0.32 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.90 1kbw s SER 119 N 0.34 4.20 0.00 3.53 0.01 0.27 -4.96 113.70 117.10 1kbw s SER 119 Ca -0.07 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1kbw s SER 119 Cb -0.12 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 1kbw s SER 119 CO 0.02 0.11 -0.04 -0.89 0.41 0.00 0.00 173.24 172.84 1kbw s THR 120 N -1.69 0.33 -0.01 1.44 2.01 -1.26 0.44 115.64 116.91 1kbw s THR 120 Ca 0.24 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 1kbw s THR 120 Cb -0.09 -0.32 0.10 0.00 0.01 0.00 0.00 72.50 72.21 1kbw s THR 120 CO 0.15 -0.01 0.93 0.72 -0.69 0.00 0.00 174.62 175.71 1kbw s PHE 121 N -0.35 -0.30 0.04 4.92 -0.12 -0.82 -4.95 117.98 116.40 1kbw s PHE 121 Ca -0.01 0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.04 1kbw s PHE 121 Cb -0.03 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1kbw s PHE 121 CO -0.00 -0.53 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.04 1kbw s SER 122 N -2.50 0.66 0.02 1.98 1.04 -1.26 -0.16 113.70 113.48 1kbw s SER 122 Ca 0.06 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 1kbw s SER 122 Cb -0.01 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1kbw s SER 122 CO -0.08 -0.30 0.15 0.72 0.98 0.00 0.00 173.24 174.71 1kbw s PHE 123 N -1.93 0.07 -0.19 5.02 -0.12 -0.72 -4.96 117.98 115.15 1kbw s PHE 123 Ca -0.08 -0.24 -0.15 0.00 -0.05 0.00 0.00 56.93 56.42 1kbw s PHE 123 Cb -0.06 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1kbw s PHE 123 CO -0.02 -0.35 0.34 0.21 -0.05 0.00 0.00 175.22 175.36 1kbw s LYS 124 N -1.97 4.19 -1.12 1.99 2.20 -1.26 0.01 119.74 123.77 1kbw s LYS 124 Ca -0.10 0.12 -0.21 0.00 -0.36 0.00 0.00 55.97 55.42 1kbw s LYS 124 Cb -0.04 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1kbw s LYS 124 CO -0.01 0.05 1.68 0.00 -0.36 0.00 0.00 175.35 176.71 1kbw s ALA 125 N 1.05 2.68 0.26 3.13 0.00 0.21 -4.62 121.76 124.47 1kbw s ALA 125 Ca 0.17 -2.38 0.02 0.00 0.00 0.00 0.00 51.96 49.77 1kbw s ALA 125 Cb -0.14 -4.59 0.34 0.00 0.00 0.00 0.00 23.12 18.72 1kbw s ALA 125 CO 0.07 -3.86 1.66 -0.07 0.00 0.00 0.00 175.76 173.55 1kbw h LEU 126 N 13.99 0.44 -8.27 0.00 3.38 -1.86 0.29 115.31 123.29 1kbw h LEU 126 Ca 0.28 -0.18 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 1kbw h LEU 126 Cb 0.95 -0.12 -0.31 0.00 0.09 0.00 0.00 40.66 41.26 1kbw h LEU 126 CO 1.39 0.78 -0.85 -1.10 0.09 0.00 0.00 178.44 178.75 1kbw s GLN 127 N -4.25 2.00 0.70 1.13 -0.21 -1.26 -4.63 119.66 113.14 1kbw s GLN 127 Ca -0.06 -0.67 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 1kbw s GLN 127 Cb 0.13 -1.70 0.02 0.00 1.00 0.00 0.00 33.01 32.46 1kbw s GLN 127 CO 0.80 0.26 1.12 -1.25 -2.12 0.00 0.00 175.29 174.09 1kbw s PRO 128 N 0.05 2.58 0.00 2.91 0.04 -1.26 -4.83 135.00 134.49 1kbw s PRO 128 Ca -0.05 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1kbw s PRO 128 Cb -0.13 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1kbw s PRO 128 CO 0.03 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1kbw n GLY 129 N -0.56 1.41 3.27 0.56 0.00 0.79 -4.96 105.19 105.70 1kbw n GLY 129 Ca 0.10 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1kbw n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kbw s LEU 130 N 0.00 4.80 0.00 0.99 2.96 -1.24 -0.41 118.68 125.79 1kbw s LEU 130 Ca 0.00 -1.36 0.03 0.00 -0.22 0.00 0.00 54.13 52.58 1kbw s LEU 130 Cb 0.00 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1kbw s LEU 130 CO 0.00 -0.44 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.21 1kbw s TYR 131 N 1.41 2.89 0.26 5.38 1.51 -0.06 -4.65 117.35 124.09 1kbw s TYR 131 Ca 0.01 -0.04 -0.16 0.00 -1.01 0.00 0.00 57.07 55.87 1kbw s TYR 131 Cb -0.21 -1.61 -0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1kbw s TYR 131 CO 0.02 0.37 0.70 -1.50 -1.11 0.00 0.00 175.55 174.04 1kbw s ILE 132 N -0.99 4.67 0.04 2.71 1.10 -1.26 0.21 121.20 127.68 1kbw s ILE 132 Ca 0.17 1.03 0.04 0.00 -0.51 0.00 0.00 60.65 61.38 1kbw s ILE 132 Cb -0.11 -3.72 -0.02 0.00 0.15 0.00 0.00 42.46 38.76 1kbw s ILE 132 CO 0.07 0.01 -0.12 -0.72 -2.11 0.00 0.00 174.94 172.08 1kbw s TYR 133 N -1.75 1.00 0.25 3.50 -0.85 0.07 -1.22 117.35 118.35 1kbw s TYR 133 Ca 0.48 -0.38 -0.21 0.00 -0.52 0.00 0.00 57.07 56.44 1kbw s TYR 133 Cb -0.13 -0.59 0.03 0.00 0.38 0.00 0.00 41.96 41.65 1kbw s TYR 133 CO 0.19 0.00 0.69 -3.38 -1.52 0.00 0.00 175.55 171.53 1kbw s HIS 134 N -0.97 -0.26 0.36 -3.49 -3.43 -0.46 -0.95 115.29 106.09 1kbw s HIS 134 Ca -0.02 -0.14 -0.25 0.00 -0.80 0.00 0.00 55.06 53.85 1kbw s HIS 134 Cb -0.08 0.67 -0.09 0.00 -1.43 0.00 0.00 32.58 31.64 1kbw s HIS 134 CO 0.01 -1.15 1.03 0.00 -2.00 0.00 0.00 174.74 172.63 1kbw n ALA 136 N 0.25 3.47 -2.50 0.00 0.00 -1.26 -4.54 120.51 115.93 1kbw n ALA 136 Ca 0.03 -3.10 -0.38 0.00 0.00 0.00 0.00 53.44 50.00 1kbw n ALA 136 Cb 0.49 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1kbw n ALA 136 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kbw s VAL 137 N -3.55 5.03 0.20 0.00 1.01 -1.26 -4.82 120.40 117.01 1kbw s VAL 137 Ca 0.37 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1kbw s VAL 137 Cb 0.36 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1kbw s VAL 137 CO -0.03 0.56 1.35 0.00 0.00 0.00 0.00 175.10 176.98 1kbw s ALA 138 N -1.10 3.56 -0.26 5.51 0.00 -1.26 -1.91 121.76 126.30 1kbw s ALA 138 Ca 0.24 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 1kbw s ALA 138 Cb -0.17 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1kbw s ALA 138 CO 0.14 -0.60 1.02 -1.25 0.00 0.00 0.00 175.76 175.07 1kbw s PRO 139 N 0.04 4.20 0.24 0.00 0.04 -1.26 -5.04 135.00 133.22 1kbw s PRO 139 Ca 0.59 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1kbw s PRO 139 Cb -0.38 -3.67 0.42 0.00 0.04 0.00 0.00 34.50 30.91 1kbw s PRO 139 CO 0.38 -0.68 1.66 0.28 0.04 0.00 0.00 177.00 178.67 1kbw h VAL 140 N 5.52 0.42 -0.83 -0.36 2.07 -1.70 -1.48 116.25 119.90 1kbw h VAL 140 Ca -0.20 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1kbw h VAL 140 Cb 1.06 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1kbw h VAL 140 CO 0.98 0.03 0.54 1.23 0.02 0.00 0.00 177.57 180.37 1kbw h GLY 141 N 0.15 1.17 1.04 2.17 0.00 -1.93 -1.86 103.07 103.80 1kbw h GLY 141 Ca 0.40 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1kbw h GLY 141 CO -0.59 0.36 -0.23 1.98 0.00 0.00 0.00 176.54 178.05 1kbw h MET 142 N 1.03 0.85 -0.61 4.80 -1.53 -1.63 0.22 114.93 118.06 1kbw h MET 142 Ca 0.33 -0.39 -0.06 0.00 -3.44 0.00 0.00 59.70 56.14 1kbw h MET 142 Cb 0.02 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.03 1kbw h MET 142 CO -0.09 1.03 0.14 0.45 0.14 0.00 0.00 176.91 178.58 1kbw h HIS 143 N 0.65 0.99 -0.05 1.39 3.86 -1.14 -1.42 115.15 119.43 1kbw h HIS 143 Ca 0.08 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1kbw h HIS 143 Cb 0.80 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1kbw h HIS 143 CO 0.06 0.82 -0.15 0.82 0.86 0.00 0.00 177.93 180.34 1kbw h ILE 144 N 0.91 1.44 -0.59 2.45 2.04 -1.20 -3.03 117.51 119.52 1kbw h ILE 144 Ca 0.19 -1.53 0.13 0.00 1.00 0.00 0.00 64.86 64.65 1kbw h ILE 144 Cb 0.33 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1kbw h ILE 144 CO 0.00 0.42 0.41 0.00 0.00 0.00 0.00 178.15 178.98 1kbw h ALA 145 N 0.44 2.23 0.00 1.87 0.00 -0.39 -0.16 119.26 123.24 1kbw h ALA 145 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kbw h ALA 145 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kbw h ALA 145 CO 0.03 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 178.99 1kbw n ASN 146 N -4.44 0.00 0.00 0.00 3.02 -0.55 -4.80 115.26 108.49 1kbw n ASN 146 Ca 0.11 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1kbw n ASN 146 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1kbw n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kbw n GLY 147 N 0.65 0.95 3.33 7.41 0.00 -0.08 -1.15 105.19 116.29 1kbw n GLY 147 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1kbw n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kbw n MET 148 N -1.22 3.23 -3.57 1.61 2.81 -1.09 -4.68 117.12 114.21 1kbw n MET 148 Ca 0.00 -3.35 -0.16 0.00 -1.81 0.00 0.00 57.70 52.38 1kbw n MET 148 Cb 0.00 -3.28 -0.07 0.00 -0.71 0.00 0.00 33.22 29.16 1kbw n MET 148 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1kbw s TYR 149 N 2.93 -0.71 0.17 2.03 -0.85 -1.26 -2.12 117.35 117.54 1kbw s TYR 149 Ca 0.48 1.49 -0.03 0.00 -0.52 0.00 0.00 57.07 58.49 1kbw s TYR 149 Cb 0.04 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.74 1kbw s TYR 149 CO 0.02 -0.50 0.28 0.41 -1.52 0.00 0.00 175.55 174.24 1kbw n GLY 150 N 1.74 2.27 3.30 5.49 0.00 -0.12 -1.79 105.19 116.07 1kbw n GLY 150 Ca -0.17 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1kbw n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbw s LEU 151 N 0.00 2.13 -0.15 0.99 1.43 -1.26 -0.75 118.68 121.07 1kbw s LEU 151 Ca 0.12 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1kbw s LEU 151 Cb -0.01 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1kbw s LEU 151 CO 0.08 0.24 -0.14 -0.51 0.23 0.00 0.00 176.35 176.26 1kbw s ILE 152 N -0.74 1.59 -0.24 -0.59 2.07 0.13 -2.07 121.20 121.36 1kbw s ILE 152 Ca 0.10 -0.65 -0.15 0.00 -1.41 0.00 0.00 60.65 58.54 1kbw s ILE 152 Cb -0.09 -1.50 -0.04 0.00 0.13 0.00 0.00 42.46 40.96 1kbw s ILE 152 CO 0.01 0.45 0.37 -0.22 -1.91 0.00 0.00 174.94 173.64 1kbw s LEU 153 N 1.48 4.09 -0.43 8.50 2.96 0.17 -0.88 118.68 134.57 1kbw s LEU 153 Ca 0.05 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1kbw s LEU 153 Cb -0.13 -2.44 0.10 0.00 0.50 0.00 0.00 46.19 44.22 1kbw s LEU 153 CO -0.11 -0.12 0.25 -0.69 -1.32 0.00 0.00 176.35 174.36 1kbw s VAL 154 N 1.68 3.81 0.49 1.68 1.01 0.46 -1.29 120.40 128.24 1kbw s VAL 154 Ca 0.16 -1.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.16 1kbw s VAL 154 Cb -0.15 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1kbw s VAL 154 CO 0.09 -0.64 1.13 -1.61 0.00 0.00 0.00 175.10 174.07 1kbw s GLU 155 N 1.29 3.64 0.72 2.72 2.02 0.29 -0.15 118.70 129.23 1kbw s GLU 155 Ca 0.05 1.65 -0.13 0.00 0.02 0.00 0.00 54.97 56.57 1kbw s GLU 155 Cb -0.24 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.79 1kbw s GLU 155 CO -0.01 -0.62 1.10 -2.14 0.02 0.00 0.00 175.26 173.61 1kbw s PRO 156 N -2.96 2.54 0.24 0.39 0.02 -1.26 -0.10 135.00 133.87 1kbw s PRO 156 Ca 0.67 1.26 -0.10 0.00 0.02 0.00 0.00 61.00 62.85 1kbw s PRO 156 Cb -0.25 -1.93 0.36 0.00 0.02 0.00 0.00 34.50 32.70 1kbw s PRO 156 CO 0.30 -1.43 1.61 0.87 -0.33 0.00 0.00 177.00 178.02 1kbw h LYS 157 N -0.58 0.03 0.00 5.54 1.79 -1.96 0.39 116.57 121.78 1kbw h LYS 157 Ca -0.45 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1kbw h LYS 157 Cb 1.24 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1kbw h LYS 157 CO 0.53 0.02 0.00 0.39 -1.08 0.00 0.00 179.45 179.31 1kbw n GLU 158 N -5.45 0.01 0.00 3.15 4.71 -1.26 -4.94 120.64 116.85 1kbw n GLU 158 Ca 0.12 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1kbw n GLU 158 Cb 0.42 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 1kbw n GLU 158 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kbw n GLY 159 N 0.32 -1.86 3.93 0.62 0.00 0.14 -4.96 105.19 103.37 1kbw n GLY 159 Ca 0.04 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1kbw n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbw s LEU 160 N -4.69 4.32 0.48 0.99 1.43 -1.26 -4.70 118.68 115.24 1kbw s LEU 160 Ca 0.00 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 1kbw s LEU 160 Cb 0.00 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 1kbw s LEU 160 CO 0.00 0.06 1.11 -2.65 0.23 0.00 0.00 176.35 175.11 1kbw n PRO 161 N -0.30 1.44 -1.93 1.29 -0.02 -1.26 -4.92 135.00 129.30 1kbw n PRO 161 Ca -0.06 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1kbw n PRO 161 Cb 0.53 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1kbw n PRO 161 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1kbw s LYS 162 N -2.36 3.17 0.03 -0.52 -0.14 -1.26 -5.03 119.74 113.64 1kbw s LYS 162 Ca 0.67 2.04 -0.04 0.00 -1.36 0.00 0.00 55.97 57.27 1kbw s LYS 162 Cb -0.49 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1kbw s LYS 162 CO 0.54 -1.10 0.06 0.08 -0.76 0.00 0.00 175.35 174.17 1kbw s VAL 163 N -1.42 0.14 -0.02 3.17 1.01 -1.26 -5.08 120.40 116.94 1kbw s VAL 163 Ca 0.72 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1kbw s VAL 163 Cb -0.36 -0.85 -0.20 0.00 0.00 0.00 0.00 36.38 34.98 1kbw s VAL 163 CO 0.41 -0.62 1.20 0.44 0.00 0.00 0.00 175.10 176.53 1kbw h ASP 164 N 3.78 0.17 -4.17 3.32 3.32 -1.76 -3.46 116.42 117.62 1kbw h ASP 164 Ca -0.33 -0.58 -0.39 0.00 0.02 0.00 0.00 57.03 55.75 1kbw h ASP 164 Cb 1.18 -0.05 -0.27 0.00 0.22 0.00 0.00 39.33 40.41 1kbw h ASP 164 CO 0.50 0.72 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.43 1kbw s LYS 165 N -3.88 0.75 -0.06 3.56 1.02 -0.96 -5.00 119.74 115.16 1kbw s LYS 165 Ca -0.16 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.42 1kbw s LYS 165 Cb 0.02 -0.71 -0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1kbw s LYS 165 CO 0.72 0.19 -0.18 -1.21 -0.92 0.00 0.00 175.35 173.94 1kbw s GLU 166 N -0.54 2.05 0.04 1.68 2.02 -1.26 -0.48 118.70 122.21 1kbw s GLU 166 Ca 0.02 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.43 1kbw s GLU 166 Cb -0.05 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 1kbw s GLU 166 CO 0.00 0.20 -0.19 -0.06 0.02 0.00 0.00 175.26 175.23 1kbw s PHE 167 N 0.19 1.69 -0.38 1.61 0.40 -0.39 -4.34 117.98 116.76 1kbw s PHE 167 Ca -0.08 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 1kbw s PHE 167 Cb -0.14 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1kbw s PHE 167 CO 0.04 0.08 0.21 -0.47 0.70 0.00 0.00 175.22 175.78 1kbw s TYR 168 N -0.81 3.27 -0.09 0.36 5.04 0.11 -0.43 117.35 124.81 1kbw s TYR 168 Ca 0.06 -1.21 0.02 0.00 -2.44 0.00 0.00 57.07 53.50 1kbw s TYR 168 Cb -0.09 -2.57 0.01 0.00 0.35 0.00 0.00 41.96 39.67 1kbw s TYR 168 CO 0.02 -0.73 -0.14 0.42 -1.34 0.00 0.00 175.55 173.78 1kbw s ILE 169 N 1.49 1.35 -0.08 3.14 1.09 -0.50 -3.70 121.20 123.99 1kbw s ILE 169 Ca 0.02 -0.58 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 1kbw s ILE 169 Cb -0.20 -1.23 0.02 0.00 -1.06 0.00 0.00 42.46 39.99 1kbw s ILE 169 CO 0.05 0.41 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.53 1kbw s VAL 170 N 0.81 0.88 0.26 2.92 1.01 -1.26 -0.09 120.40 124.94 1kbw s VAL 170 Ca -0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1kbw s VAL 170 Cb -0.16 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1kbw s VAL 170 CO 0.02 0.32 0.53 -1.58 0.00 0.00 0.00 175.10 174.39 1kbw s GLN 171 N 1.29 3.65 -0.03 2.72 0.74 -0.16 -0.53 119.66 127.35 1kbw s GLN 171 Ca -0.04 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 1kbw s GLN 171 Cb -0.14 -2.67 0.07 0.00 1.10 0.00 0.00 33.01 31.37 1kbw s GLN 171 CO -0.03 0.26 0.68 0.20 -0.55 0.00 0.00 175.29 175.85 1kbw s GLY 172 N -2.99 -0.58 -0.14 2.59 0.00 -0.59 -0.65 107.32 104.97 1kbw s GLY 172 Ca 0.44 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 46.36 1kbw s GLY 172 CO 0.28 0.86 -0.04 0.51 0.00 0.00 0.00 173.10 174.71 1kbw s ASP 173 N -1.39 4.79 -0.04 1.64 1.47 0.48 -1.54 116.67 122.07 1kbw s ASP 173 Ca -0.09 -0.10 0.04 0.00 1.18 0.00 0.00 52.55 53.58 1kbw s ASP 173 Cb -0.00 -1.66 -0.03 0.00 -0.34 0.00 0.00 42.92 40.89 1kbw s ASP 173 CO 0.07 0.21 -0.15 -0.36 0.68 0.00 0.00 175.17 175.63 1kbw s PHE 174 N 0.09 2.68 -0.36 2.11 0.08 0.19 -4.23 117.98 118.54 1kbw s PHE 174 Ca -0.01 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 56.83 1kbw s PHE 174 Cb -0.14 -1.61 0.07 0.00 -0.57 0.00 0.00 43.02 40.77 1kbw s PHE 174 CO 0.03 0.19 0.12 0.71 -0.10 0.00 0.00 175.22 176.16 1kbw s TYR 175 N -0.74 3.38 -0.07 0.36 1.51 -1.26 -1.17 117.35 119.35 1kbw s TYR 175 Ca 0.12 -1.91 -0.04 0.00 -1.01 0.00 0.00 57.07 54.22 1kbw s TYR 175 Cb -0.11 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1kbw s TYR 175 CO 0.01 -0.85 0.12 0.99 -1.11 0.00 0.00 175.55 174.70 1kbw s THR 176 N 1.27 5.15 0.08 -0.71 2.01 -1.26 -1.26 115.64 120.92 1kbw s THR 176 Ca 0.01 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 1kbw s THR 176 Cb -0.21 -3.29 -0.14 0.00 0.01 0.00 0.00 72.50 68.87 1kbw s THR 176 CO -0.01 0.50 1.68 0.50 -0.69 0.00 0.00 174.62 176.60 1kbw h LYS 177 N 4.60 0.05 -7.59 4.92 3.64 -1.59 -3.43 116.57 117.17 1kbw h LYS 177 Ca -0.52 -0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.38 1kbw h LYS 177 Cb 1.21 -0.01 0.10 0.00 -0.41 0.00 0.00 32.23 33.11 1kbw h LYS 177 CO 0.61 0.11 0.40 0.20 -2.27 0.00 0.00 179.45 178.50 1kbw s GLY 178 N -2.37 1.60 0.59 5.01 0.00 -1.26 -5.04 107.32 105.83 1kbw s GLY 178 Ca -0.13 -0.59 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 1kbw s GLY 178 CO 0.67 -0.12 0.90 0.54 0.00 0.00 0.00 173.10 175.09 1kbw s LYS 179 N -5.52 2.96 -0.23 2.90 1.02 -1.26 -4.89 119.74 114.72 1kbw s LYS 179 Ca 0.61 0.02 -0.42 0.00 0.02 0.00 0.00 55.97 56.21 1kbw s LYS 179 Cb -0.11 -2.27 -0.18 0.00 -0.52 0.00 0.00 37.83 34.74 1kbw s LYS 179 CO 0.50 -0.67 1.47 1.17 -0.92 0.00 0.00 175.35 176.89 1kbw n LYS 180 N -2.57 0.47 0.00 1.68 0.00 -1.26 -0.74 118.16 115.74 1kbw n LYS 180 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1kbw n LYS 180 Cb 0.57 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.86 1kbw n LYS 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kbw n GLY 181 N 3.22 2.70 3.69 3.14 0.00 -1.26 -5.04 105.19 111.64 1kbw n GLY 181 Ca 0.25 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.77 1kbw n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw n ALA 182 N -0.41 0.64 -1.50 4.61 0.00 0.08 -4.91 120.51 119.02 1kbw n ALA 182 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1kbw n ALA 182 Cb 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.08 1kbw n ALA 182 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kbw s GLN 183 N 3.73 2.72 0.01 0.00 -1.52 -1.26 -4.73 119.66 118.60 1kbw s GLN 183 Ca 0.93 1.47 0.00 0.00 -1.95 0.00 0.00 55.36 55.81 1kbw s GLN 183 Cb -0.78 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 1kbw s GLN 183 CO 0.54 -1.32 0.00 0.41 -0.25 0.00 0.00 175.29 174.67 1kbw n GLY 184 N -0.32 -3.63 3.62 3.09 0.00 -0.15 -4.88 105.19 102.92 1kbw n GLY 184 Ca 0.11 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1kbw n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kbw s LEU 185 N 0.00 3.76 -0.24 0.99 2.96 -1.26 -1.29 118.68 123.60 1kbw s LEU 185 Ca 0.00 1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.80 1kbw s LEU 185 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1kbw s LEU 185 CO 0.00 -1.21 0.27 -1.10 -1.32 0.00 0.00 176.35 172.99 1kbw s GLN 186 N 4.44 4.07 0.74 1.98 -1.52 0.14 -4.95 119.66 124.56 1kbw s GLN 186 Ca 0.57 -0.09 -0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1kbw s GLN 186 Cb -0.15 -3.58 0.04 0.00 -0.22 0.00 0.00 33.01 29.09 1kbw s GLN 186 CO 0.27 -0.08 1.08 -2.14 -0.25 0.00 0.00 175.29 174.17 1kbw s PRO 187 N 1.45 2.56 0.28 2.91 0.02 -1.26 -4.45 135.00 136.50 1kbw s PRO 187 Ca 0.12 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 61.65 1kbw s PRO 187 Cb -0.15 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 1kbw s PRO 187 CO 0.08 -1.33 1.20 0.12 -0.33 0.00 0.00 177.00 176.74 1kbw s PHE 188 N -3.10 3.36 -0.40 6.54 5.36 -1.26 -1.63 117.98 126.85 1kbw s PHE 188 Ca 0.59 1.53 -0.03 0.00 -0.96 0.00 0.00 56.93 58.06 1kbw s PHE 188 Cb -0.14 -3.46 0.10 0.00 -0.34 0.00 0.00 43.02 39.18 1kbw s PHE 188 CO 0.55 -1.18 0.18 0.34 -1.46 0.00 0.00 175.22 173.65 1kbw s ASP 189 N -0.50 5.22 0.26 6.13 -1.08 -0.39 -4.72 116.67 121.59 1kbw s ASP 189 Ca 0.48 -1.93 -0.03 0.00 -0.52 0.00 0.00 52.55 50.55 1kbw s ASP 189 Cb -0.35 -1.82 0.42 0.00 -1.46 0.00 0.00 42.92 39.72 1kbw s ASP 189 CO 0.44 -0.51 1.83 -0.03 0.52 0.00 0.00 175.17 177.42 1kbw h MET 190 N 8.05 0.89 -0.65 4.34 1.85 -1.94 -2.29 114.93 125.19 1kbw h MET 190 Ca -0.14 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.83 1kbw h MET 190 Cb 1.05 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1kbw h MET 190 CO 0.68 0.59 0.15 -0.44 -0.40 0.00 0.00 176.91 177.49 1kbw h ASP 191 N 0.92 0.97 0.36 1.39 3.32 -1.99 -1.10 116.42 120.28 1kbw h ASP 191 Ca 0.42 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 1kbw h ASP 191 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1kbw h ASP 191 CO -0.23 0.94 -0.59 0.11 -1.72 0.00 0.00 179.24 177.75 1kbw h LYS 192 N 0.97 0.23 -0.21 3.56 1.57 -1.81 -2.03 116.57 118.85 1kbw h LYS 192 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1kbw h LYS 192 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1kbw h LYS 192 CO 0.00 0.75 0.10 0.00 -0.57 0.00 0.00 179.45 179.73 1kbw h ALA 193 N 1.21 0.27 -0.30 3.86 0.00 -0.91 -0.32 119.26 123.07 1kbw h ALA 193 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1kbw h ALA 193 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1kbw h ALA 193 CO 0.09 -0.17 -0.12 0.28 0.00 0.00 0.00 179.25 179.33 1kbw h VAL 194 N 0.20 1.23 -0.01 0.00 2.07 -1.14 -2.31 116.25 116.30 1kbw h VAL 194 Ca 0.07 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1kbw h VAL 194 Cb 0.13 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1kbw h VAL 194 CO -0.01 0.34 -0.03 0.00 0.02 0.00 0.00 177.57 177.89 1kbw n ALA 195 N -2.48 2.67 -3.56 1.67 0.00 -0.77 -4.92 120.51 113.11 1kbw n ALA 195 Ca 0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1kbw n ALA 195 Cb 0.32 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.49 1kbw n ALA 195 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kbw n GLU 196 N -0.65 -7.70 -3.88 0.00 1.02 -0.28 -4.97 120.64 104.16 1kbw n GLU 196 Ca 0.20 0.83 -0.28 0.00 -0.02 0.00 0.00 57.16 57.89 1kbw n GLU 196 Cb 0.23 -5.87 -0.12 0.00 -0.02 0.00 0.00 31.44 25.65 1kbw n GLU 196 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1kbw s GLN 197 N -6.12 2.35 0.64 3.49 -0.21 -0.32 -5.02 119.66 114.47 1kbw s GLN 197 Ca 0.47 -3.22 -0.13 0.00 0.02 0.00 0.00 55.36 52.50 1kbw s GLN 197 Cb -0.21 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 1kbw s GLN 197 CO 0.73 -1.27 1.05 -1.25 -2.12 0.00 0.00 175.29 172.43 1kbw s PRO 198 N -1.27 3.20 -0.17 2.91 0.04 -1.26 -4.71 135.00 133.72 1kbw s PRO 198 Ca 0.24 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.39 1kbw s PRO 198 Cb -0.06 -2.02 -0.23 0.00 0.04 0.00 0.00 34.50 32.22 1kbw s PRO 198 CO -0.15 -0.89 0.15 0.39 0.04 0.00 0.00 177.00 176.53 1kbw n GLU 199 N -2.66 0.68 -4.76 4.56 -0.58 -0.32 -4.93 120.64 112.63 1kbw n GLU 199 Ca 0.08 0.12 -0.24 0.00 -0.42 0.00 0.00 57.16 56.69 1kbw n GLU 199 Cb 0.53 -1.59 -0.16 0.00 -0.57 0.00 0.00 31.44 29.65 1kbw n GLU 199 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1kbw s TYR 200 N -2.53 1.52 -0.21 -0.32 1.51 -1.01 -4.58 117.35 111.73 1kbw s TYR 200 Ca -0.16 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 1kbw s TYR 200 Cb 0.07 -1.01 0.06 0.00 -0.11 0.00 0.00 41.96 40.97 1kbw s TYR 200 CO 0.77 -0.09 0.00 0.08 -1.11 0.00 0.00 175.55 175.20 1kbw s VAL 201 N -0.15 0.89 0.27 0.71 1.01 -0.66 0.55 120.40 123.02 1kbw s VAL 201 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1kbw s VAL 201 Cb -0.09 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1kbw s VAL 201 CO 0.01 -0.16 0.08 0.68 0.00 0.00 0.00 175.10 175.71 1kbw s VAL 202 N 1.69 0.74 -0.17 2.92 -7.23 -0.59 0.81 120.40 118.57 1kbw s VAL 202 Ca -0.03 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1kbw s VAL 202 Cb -0.18 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1kbw s VAL 202 CO -0.07 -0.02 0.01 -0.36 -0.31 0.00 0.00 175.10 174.35 1kbw s PHE 203 N -3.62 3.13 -1.17 2.82 0.08 -1.26 -1.54 117.98 116.42 1kbw s PHE 203 Ca 0.37 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 1kbw s PHE 203 Cb 0.08 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1kbw s PHE 203 CO 0.14 0.06 0.86 0.09 -0.10 0.00 0.00 175.22 176.27 1kbw n ASN 204 N 3.53 -3.87 0.00 1.36 5.03 0.32 -3.96 115.26 117.67 1kbw n ASN 204 Ca -0.17 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.51 1kbw n ASN 204 Cb 0.52 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 1kbw n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kbw n GLY 205 N -1.37 0.21 3.16 7.41 0.00 -1.18 -4.65 105.19 108.77 1kbw n GLY 205 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1kbw n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kbw s HIS 206 N -0.74 0.21 0.14 1.61 3.76 -1.25 -4.87 115.29 114.15 1kbw s HIS 206 Ca 0.00 -0.60 -0.31 0.00 -0.15 0.00 0.00 55.06 54.01 1kbw s HIS 206 Cb 0.00 -0.14 -0.08 0.00 1.11 0.00 0.00 32.58 33.48 1kbw s HIS 206 CO 0.00 -0.45 1.29 0.08 -0.85 0.00 0.00 174.74 174.82 1kbw s VAL 207 N -3.30 3.48 0.00 -0.90 1.01 0.31 -2.62 120.40 118.39 1kbw s VAL 207 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1kbw s VAL 207 Cb 0.03 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1kbw s VAL 207 CO -0.08 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1kbw n GLY 208 N 2.90 0.84 0.40 4.51 0.00 -1.26 -4.80 105.19 107.78 1kbw n GLY 208 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.30 1kbw n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw h ALA 209 N 0.00 2.34 -0.17 4.61 0.00 -1.73 -1.62 119.26 122.69 1kbw h ALA 209 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1kbw h ALA 209 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1kbw h ALA 209 CO 0.00 -0.57 -0.48 1.28 0.00 0.00 0.00 179.25 179.48 1kbw n LEU 210 N -4.44 3.27 -4.37 0.00 4.77 -1.26 -4.75 117.00 110.22 1kbw n LEU 210 Ca 0.16 -4.02 -0.20 0.00 -0.03 0.00 0.00 56.01 51.92 1kbw n LEU 210 Cb 0.68 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1kbw n LEU 210 CO 0.34 1.49 -0.20 -0.89 -1.33 0.00 0.00 177.39 176.80 1kbw s THR 211 N -3.45 0.43 0.00 -5.08 2.01 -0.61 -0.27 115.64 108.67 1kbw s THR 211 Ca 0.41 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.41 1kbw s THR 211 Cb 0.38 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1kbw s THR 211 CO -0.04 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1kbw n GLY 212 N -0.64 3.84 0.28 4.40 0.00 -1.26 -0.34 105.19 111.47 1kbw n GLY 212 Ca -0.00 0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.27 1kbw n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kbw h ASP 213 N 0.00 0.00 -0.56 1.61 3.32 -1.97 -2.63 116.42 116.19 1kbw h ASP 213 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kbw h ASP 213 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kbw h ASP 213 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1kbw n ASN 214 N -3.07 2.99 -4.71 6.45 3.02 0.54 -4.97 115.26 115.52 1kbw n ASN 214 Ca 0.00 -2.01 -0.38 0.00 -0.03 0.00 0.00 54.58 52.16 1kbw n ASN 214 Cb 0.28 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.13 1kbw n ASN 214 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kbw n ALA 215 N 1.12 1.15 -1.70 5.41 0.00 -0.99 -4.00 120.51 121.50 1kbw n ALA 215 Ca 0.19 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1kbw n ALA 215 Cb 0.47 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1kbw n ALA 215 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kbw s LEU 216 N -3.16 3.62 -0.01 0.00 1.43 0.50 -4.85 118.68 116.23 1kbw s LEU 216 Ca 0.74 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.81 1kbw s LEU 216 Cb -0.42 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.24 1kbw s LEU 216 CO 0.48 -1.12 -0.14 -0.54 0.23 0.00 0.00 176.35 175.25 1kbw s LYS 217 N -3.71 1.14 0.21 1.70 1.02 -1.26 -0.21 119.74 118.63 1kbw s LYS 217 Ca 0.66 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 56.01 1kbw s LYS 217 Cb -0.18 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.01 1kbw s LYS 217 CO 0.31 0.30 0.39 0.00 -0.92 0.00 0.00 175.35 175.43 1kbw s ALA 218 N -0.39 -0.08 0.07 5.17 0.00 -0.58 -4.95 121.76 121.00 1kbw s ALA 218 Ca 0.05 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1kbw s ALA 218 Cb -0.06 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1kbw s ALA 218 CO -0.00 -0.76 -0.15 0.15 0.00 0.00 0.00 175.76 175.00 1kbw s LYS 219 N -4.00 2.07 0.23 0.00 1.02 -1.26 -1.88 119.74 115.92 1kbw s LYS 219 Ca 0.21 -1.01 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1kbw s LYS 219 Cb 0.01 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 34.95 1kbw s LYS 219 CO 0.05 0.52 1.30 0.00 -0.92 0.00 0.00 175.35 176.30 1kbw n ALA 220 N 1.16 0.50 0.00 5.17 0.00 0.34 -1.77 120.51 125.91 1kbw n ALA 220 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1kbw n ALA 220 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1kbw n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kbw n GLY 221 N 1.92 3.40 3.78 0.00 0.00 0.33 -4.97 105.19 109.65 1kbw n GLY 221 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1kbw n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kbw s GLU 222 N -0.82 4.04 -0.17 1.61 2.02 -0.73 -4.75 118.70 119.91 1kbw s GLU 222 Ca 0.00 1.60 -0.17 0.00 0.02 0.00 0.00 54.97 56.43 1kbw s GLU 222 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1kbw s GLU 222 CO 0.00 -0.27 0.42 -0.08 0.02 0.00 0.00 175.26 175.35 1kbw s THR 223 N -1.62 5.20 -0.11 3.63 -1.32 -1.26 -1.55 115.64 118.62 1kbw s THR 223 Ca 0.59 0.79 -0.00 0.00 -1.21 0.00 0.00 61.69 61.87 1kbw s THR 223 Cb -0.24 -3.76 -0.02 0.00 -1.51 0.00 0.00 72.50 66.97 1kbw s THR 223 CO 0.30 0.29 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.22 1kbw s VAL 224 N 0.96 3.42 -0.12 5.08 1.01 0.11 -1.88 120.40 128.99 1kbw s VAL 224 Ca 0.22 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1kbw s VAL 224 Cb -0.15 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1kbw s VAL 224 CO 0.08 0.55 -0.21 -0.60 0.00 0.00 0.00 175.10 174.92 1kbw s ARG 225 N -0.13 3.12 -0.16 2.72 3.52 0.37 -1.12 118.95 127.28 1kbw s ARG 225 Ca 0.00 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1kbw s ARG 225 Cb -0.13 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1kbw s ARG 225 CO 0.03 0.14 -0.16 -1.64 -0.81 0.00 0.00 175.30 172.86 1kbw s MET 226 N 0.46 3.15 -0.54 5.12 -1.94 0.47 -1.26 119.30 124.76 1kbw s MET 226 Ca -0.14 -0.77 -0.22 0.00 -1.71 0.00 0.00 55.69 52.85 1kbw s MET 226 Cb -0.17 -2.61 0.05 0.00 2.01 0.00 0.00 34.83 34.11 1kbw s MET 226 CO 0.06 -0.04 0.80 0.71 -0.01 0.00 0.00 175.02 176.53 1kbw s TYR 227 N 0.95 2.90 -0.29 -0.03 1.51 0.43 -2.05 117.35 120.77 1kbw s TYR 227 Ca -0.03 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 1kbw s TYR 227 Cb -0.15 -3.85 -0.02 0.00 -0.11 0.00 0.00 41.96 37.83 1kbw s TYR 227 CO -0.03 -1.23 0.13 0.08 -1.11 0.00 0.00 175.55 173.39 1kbw s VAL 228 N 3.35 4.58 0.29 0.71 1.01 -0.22 -1.41 120.40 128.71 1kbw s VAL 228 Ca 0.23 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1kbw s VAL 228 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1kbw s VAL 228 CO 0.15 0.18 0.15 -0.83 0.00 0.00 0.00 175.10 174.75 1kbw s GLY 229 N 1.63 1.68 -0.35 4.51 0.00 0.88 -0.99 107.32 114.68 1kbw s GLY 229 Ca 0.05 -1.63 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 1kbw s GLY 229 CO 0.06 -1.63 0.16 0.21 0.00 0.00 0.00 173.10 171.90 1kbw s ASN 230 N -3.83 3.63 0.15 1.64 3.84 -0.26 -0.98 114.94 119.13 1kbw s ASN 230 Ca 0.35 -1.94 0.21 0.00 0.21 0.00 0.00 52.86 51.70 1kbw s ASN 230 Cb -0.06 -0.72 0.86 0.00 -0.55 0.00 0.00 41.25 40.79 1kbw s ASN 230 CO 0.23 -0.36 1.65 0.61 -2.79 0.00 0.00 177.10 176.44 1kbw n GLY 231 N 4.43 -1.25 7.00 1.21 0.00 0.18 -0.51 105.19 116.25 1kbw n GLY 231 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1kbw n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 232 N 0.23 1.32 0.31 -0.02 0.00 -1.25 -4.53 105.19 101.25 1kbw n GLY 232 Ca 0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1kbw n GLY 232 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kbw h PRO 233 N 0.00 0.91 0.00 1.61 0.11 -1.87 0.14 132.00 132.89 1kbw h PRO 233 Ca 0.00 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.79 1kbw h PRO 233 Cb 0.00 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.86 1kbw h PRO 233 CO 0.00 0.60 -2.01 0.09 -0.21 0.00 0.00 178.00 176.47 1kbw n ASN 234 N -4.64 2.09 -4.79 -2.05 3.02 -1.26 -4.80 115.26 102.84 1kbw n ASN 234 Ca 0.11 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 1kbw n ASN 234 Cb 0.15 0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.60 1kbw n ASN 234 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kbw s LEU 235 N -5.60 3.31 -0.13 3.41 1.43 -1.26 -4.86 118.68 114.98 1kbw s LEU 235 Ca -0.17 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1kbw s LEU 235 Cb 0.05 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 1kbw s LEU 235 CO 0.49 -1.55 -0.15 -0.69 0.23 0.00 0.00 176.35 174.68 1kbw s VAL 236 N -2.60 2.86 -0.06 -1.59 1.01 -1.26 -4.07 120.40 114.69 1kbw s VAL 236 Ca 0.63 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1kbw s VAL 236 Cb -0.18 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1kbw s VAL 236 CO 0.45 0.53 0.31 -0.55 0.00 0.00 0.00 175.10 175.84 1kbw s SER 237 N 0.41 6.63 -0.99 3.32 0.15 -0.68 -4.91 113.70 117.63 1kbw s SER 237 Ca -0.12 0.75 -0.03 0.00 0.70 0.00 0.00 55.95 57.26 1kbw s SER 237 Cb -0.16 -2.19 0.29 0.00 -1.71 0.00 0.00 66.02 62.25 1kbw s SER 237 CO 0.06 0.31 1.24 -1.20 1.20 0.00 0.00 173.24 174.85 1kbw n SER 238 N 2.16 5.62 -4.72 5.45 7.64 -1.26 0.34 113.62 128.85 1kbw n SER 238 Ca -0.15 -3.35 -0.43 0.00 1.01 0.00 0.00 58.87 55.95 1kbw n SER 238 Cb 0.53 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1kbw n SER 238 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kbw n PHE 239 N 1.47 2.69 -3.68 1.43 7.35 0.85 -0.13 117.46 127.45 1kbw n PHE 239 Ca 0.26 0.21 -0.15 0.00 -0.76 0.00 0.00 57.45 57.02 1kbw n PHE 239 Cb 0.36 -2.60 -0.08 0.00 0.35 0.00 0.00 39.48 37.51 1kbw n PHE 239 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1kbw s HIS 240 N 0.40 -0.35 -0.24 -5.13 5.65 -0.82 -1.61 115.29 113.20 1kbw s HIS 240 Ca 0.69 0.57 0.02 0.00 0.25 0.00 0.00 55.06 56.59 1kbw s HIS 240 Cb -0.53 0.21 0.05 0.00 -1.18 0.00 0.00 32.58 31.12 1kbw s HIS 240 CO 0.43 -0.46 -0.13 0.08 -0.65 0.00 0.00 174.74 174.01 1kbw s VAL 241 N -1.26 2.20 0.09 0.89 1.01 -1.26 -0.92 120.40 121.15 1kbw s VAL 241 Ca -0.13 -1.45 -0.31 0.00 0.00 0.00 0.00 61.98 60.10 1kbw s VAL 241 Cb -0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1kbw s VAL 241 CO 0.06 0.11 1.71 -0.63 0.00 0.00 0.00 175.10 176.35 1kbw s ILE 242 N 1.16 2.87 0.00 2.22 1.01 -0.21 -2.01 121.20 126.23 1kbw s ILE 242 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1kbw s ILE 242 Cb -0.18 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1kbw s ILE 242 CO -0.07 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1kbw n GLY 243 N 4.07 0.37 3.31 6.18 0.00 -1.26 -3.41 105.19 114.45 1kbw n GLY 243 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1kbw n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kbw s GLU 244 N -0.90 1.51 0.02 1.61 2.56 -0.85 -5.09 118.70 117.56 1kbw s GLU 244 Ca 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 54.97 53.16 1kbw s GLU 244 Cb 0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 34.13 36.05 1kbw s GLU 244 CO 0.00 -0.42 -0.10 0.42 -0.56 0.00 0.00 175.26 174.60 1kbw s ILE 245 N -3.70 0.80 -0.36 -3.70 1.01 -1.26 -4.69 121.20 109.30 1kbw s ILE 245 Ca 0.37 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 1kbw s ILE 245 Cb 0.06 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1kbw s ILE 245 CO 0.16 -0.01 1.19 -0.36 0.00 0.00 0.00 174.94 175.93 1kbw s PHE 246 N -0.70 2.85 0.13 3.97 2.99 -0.51 -4.71 117.98 122.01 1kbw s PHE 246 Ca -0.00 0.93 -0.13 0.00 0.00 0.00 0.00 56.93 57.72 1kbw s PHE 246 Cb -0.06 -4.00 -0.02 0.00 0.00 0.00 0.00 43.02 38.93 1kbw s PHE 246 CO 0.00 -1.31 1.54 -0.44 -0.00 0.00 0.00 175.22 175.02 1kbw h ASP 247 N 8.99 0.81 -4.25 1.36 3.32 -1.13 -0.89 116.42 124.63 1kbw h ASP 247 Ca -0.24 -0.36 -0.23 0.00 0.02 0.00 0.00 57.03 56.22 1kbw h ASP 247 Cb 1.08 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.15 1kbw h ASP 247 CO 1.06 0.98 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.30 1kbw s LYS 248 N -4.81 0.23 -0.07 3.56 1.02 -0.69 -3.25 119.74 115.73 1kbw s LYS 248 Ca -0.12 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1kbw s LYS 248 Cb 0.11 -0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1kbw s LYS 248 CO 0.82 0.01 0.01 0.08 -0.92 0.00 0.00 175.35 175.35 1kbw s VAL 249 N -0.61 0.30 -0.77 3.17 1.01 -0.29 -1.21 120.40 122.00 1kbw s VAL 249 Ca -0.06 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1kbw s VAL 249 Cb -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1kbw s VAL 249 CO -0.00 0.25 1.14 -0.31 0.00 0.00 0.00 175.10 176.18 1kbw s TYR 250 N 2.00 2.60 -0.28 5.22 1.51 0.39 -0.43 117.35 128.37 1kbw s TYR 250 Ca 0.05 -0.56 -0.39 0.00 -1.01 0.00 0.00 57.07 55.16 1kbw s TYR 250 Cb -0.12 -4.44 -0.15 0.00 -0.11 0.00 0.00 41.96 37.13 1kbw s TYR 250 CO -0.05 -1.79 1.80 0.28 -1.11 0.00 0.00 175.55 174.68 1kbw n VAL 251 N 6.12 0.32 -1.72 0.71 0.31 -0.25 -0.95 118.33 122.88 1kbw n VAL 251 Ca 0.07 -0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 1kbw n VAL 251 Cb 0.48 -1.30 -0.05 0.00 -0.91 0.00 0.00 33.84 32.05 1kbw n VAL 251 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kbw n GLU 252 N 5.77 -1.52 -0.93 5.55 1.02 -1.25 -1.48 120.64 127.80 1kbw n GLU 252 Ca 0.28 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.31 1kbw n GLU 252 Cb 0.15 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 1kbw n GLU 252 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kbw n GLY 253 N -0.46 0.85 0.00 0.62 0.00 -0.12 -4.32 105.19 101.76 1kbw n GLY 253 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1kbw n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 254 N -2.24 0.16 0.11 -0.02 0.00 -0.55 -3.63 105.19 99.02 1kbw n GLY 254 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1kbw n GLY 254 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kbw h LYS 255 N 0.00 0.02 -6.68 1.61 3.64 -1.93 -3.41 116.57 109.82 1kbw h LYS 255 Ca 0.00 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.83 1kbw h LYS 255 Cb 0.00 0.01 0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1kbw h LYS 255 CO 0.00 0.80 0.91 -1.17 -2.27 0.00 0.00 179.45 177.73 1kbw s LEU 256 N -7.25 4.37 -0.15 5.20 2.96 -1.26 -4.93 118.68 117.62 1kbw s LEU 256 Ca -0.01 2.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.70 1kbw s LEU 256 Cb 0.11 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1kbw s LEU 256 CO 0.79 -0.88 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.12 1kbw s ILE 257 N 0.78 2.27 0.31 6.68 1.01 -1.26 -1.09 121.20 129.90 1kbw s ILE 257 Ca 0.69 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1kbw s ILE 257 Cb -0.46 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1kbw s ILE 257 CO 0.36 0.53 0.30 0.21 0.00 0.00 0.00 174.94 176.35 1kbw s ASN 258 N 0.91 5.49 0.02 3.58 3.04 0.42 -4.91 114.94 123.49 1kbw s ASN 258 Ca -0.04 -0.37 0.00 0.00 0.04 0.00 0.00 52.86 52.49 1kbw s ASN 258 Cb -0.15 -1.15 -0.02 0.00 -1.54 0.00 0.00 41.25 38.39 1kbw s ASN 258 CO -0.03 -0.28 -0.04 -1.61 -3.04 0.00 0.00 177.10 172.10 1kbw s GLU 259 N -3.98 0.31 -1.04 0.43 2.02 -1.26 -1.13 118.70 114.04 1kbw s GLU 259 Ca 0.39 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 1kbw s GLU 259 Cb -0.07 -0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 1kbw s GLU 259 CO 0.27 -0.02 0.89 0.09 0.02 0.00 0.00 175.26 176.51 1kbw n ASN 260 N 1.84 -4.71 -4.45 -0.19 5.03 -0.38 -5.00 115.26 107.39 1kbw n ASN 260 Ca -0.22 -0.63 -0.33 0.00 0.87 0.00 0.00 54.58 54.27 1kbw n ASN 260 Cb 0.56 -4.90 -0.13 0.00 -1.02 0.00 0.00 39.78 34.29 1kbw n ASN 260 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1kbw s VAL 261 N -3.36 3.49 0.02 2.41 1.01 -0.93 -4.93 120.40 118.11 1kbw s VAL 261 Ca 0.27 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1kbw s VAL 261 Cb -0.03 -2.49 -0.25 0.00 0.00 0.00 0.00 36.38 33.61 1kbw s VAL 261 CO 0.69 0.52 0.89 0.06 0.00 0.00 0.00 175.10 177.26 1kbw h GLN 262 N 6.49 0.12 -2.47 2.72 3.07 -1.93 -1.34 115.11 121.77 1kbw h GLN 262 Ca -0.31 -0.21 -0.08 0.00 0.09 0.00 0.00 58.65 58.14 1kbw h GLN 262 Cb 1.20 0.08 -0.26 0.00 0.08 0.00 0.00 27.48 28.58 1kbw h GLN 262 CO 0.58 0.92 -0.29 0.45 0.09 0.00 0.00 178.83 180.59 1kbw s SER 263 N -6.68 -0.49 0.17 0.06 0.15 -1.26 -4.43 113.70 101.22 1kbw s SER 263 Ca -0.06 1.05 0.09 0.00 0.70 0.00 0.00 55.95 57.73 1kbw s SER 263 Cb 0.08 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 1kbw s SER 263 CO 0.83 -0.22 -0.09 0.42 1.20 0.00 0.00 173.24 175.38 1kbw s THR 264 N 2.10 3.22 0.01 6.45 -4.23 -0.63 -4.91 115.64 117.66 1kbw s THR 264 Ca -0.06 -1.60 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 1kbw s THR 264 Cb -0.10 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1kbw s THR 264 CO -0.14 -0.08 0.78 -0.63 -0.54 0.00 0.00 174.62 174.01 1kbw s ILE 265 N -1.63 4.83 -0.29 2.99 -1.09 -1.25 -0.11 121.20 124.65 1kbw s ILE 265 Ca 0.24 1.64 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 1kbw s ILE 265 Cb -0.09 -4.12 0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1kbw s ILE 265 CO 0.15 0.31 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.44 1kbw s VAL 266 N 0.31 2.63 0.84 2.92 1.01 0.15 -4.70 120.40 123.56 1kbw s VAL 266 Ca 0.40 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 1kbw s VAL 266 Cb -0.20 -2.55 0.09 0.00 0.00 0.00 0.00 36.38 33.72 1kbw s VAL 266 CO 0.22 -0.12 1.10 -2.65 0.00 0.00 0.00 175.10 173.66 1kbw n PRO 267 N 4.52 0.01 -2.11 2.72 -0.02 -1.26 -1.69 135.00 137.18 1kbw n PRO 267 Ca -0.12 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1kbw n PRO 267 Cb 0.43 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1kbw n PRO 267 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbw s ALA 268 N -2.24 3.54 -0.94 3.55 0.00 -1.26 -0.44 121.76 123.96 1kbw s ALA 268 Ca 0.70 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1kbw s ALA 268 Cb -0.28 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1kbw s ALA 268 CO 0.54 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1kbw n GLY 269 N 1.46 0.93 2.76 0.00 0.00 0.33 -4.95 105.19 105.72 1kbw n GLY 269 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1kbw n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 270 N -0.31 3.64 1.53 -0.02 0.00 0.41 -4.68 105.19 105.76 1kbw n GLY 270 Ca -0.09 -2.33 -0.07 0.00 0.00 0.00 0.00 46.02 43.53 1kbw n GLY 270 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kbw n SER 271 N -1.29 -0.56 -3.52 1.61 3.41 -1.26 -1.10 113.62 110.91 1kbw n SER 271 Ca -0.15 -1.90 -0.12 0.00 -0.26 0.00 0.00 58.87 56.44 1kbw n SER 271 Cb 0.49 1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 65.48 1kbw n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kbw s ALA 272 N -2.23 -1.82 -0.12 7.33 0.00 -0.16 -2.28 121.76 122.47 1kbw s ALA 272 Ca 0.14 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1kbw s ALA 272 Cb -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1kbw s ALA 272 CO 0.10 -0.48 -0.17 0.42 0.00 0.00 0.00 175.76 175.63 1kbw s ILE 273 N -1.98 1.68 0.03 0.00 1.01 -1.23 -1.06 121.20 119.66 1kbw s ILE 273 Ca -0.02 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1kbw s ILE 273 Cb -0.01 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1kbw s ILE 273 CO -0.01 0.48 -0.24 0.68 0.00 0.00 0.00 174.94 175.85 1kbw s VAL 274 N 1.01 1.95 -0.04 2.92 -7.23 -0.87 -0.46 120.40 117.67 1kbw s VAL 274 Ca -0.05 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1kbw s VAL 274 Cb -0.15 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.15 1kbw s VAL 274 CO -0.03 0.36 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.43 1kbw s GLU 275 N -1.06 1.03 -0.04 4.82 2.02 -0.35 -0.40 118.70 124.73 1kbw s GLU 275 Ca 0.10 -0.25 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 1kbw s GLU 275 Cb -0.09 -0.95 0.03 0.00 0.10 0.00 0.00 34.13 33.22 1kbw s GLU 275 CO 0.01 0.03 0.39 -0.59 0.02 0.00 0.00 175.26 175.12 1kbw s PHE 276 N 0.52 -0.30 -0.23 1.61 -0.12 -0.28 -0.54 117.98 118.65 1kbw s PHE 276 Ca -0.08 0.53 -0.12 0.00 -0.05 0.00 0.00 56.93 57.21 1kbw s PHE 276 Cb -0.12 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1kbw s PHE 276 CO 0.01 -0.41 0.21 0.21 -0.05 0.00 0.00 175.22 175.18 1kbw s LYS 277 N -1.12 4.11 -0.62 1.99 2.20 -1.26 0.09 119.74 125.12 1kbw s LYS 277 Ca -0.12 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.14 1kbw s LYS 277 Cb -0.04 -3.52 0.10 0.00 -1.51 0.00 0.00 37.83 32.86 1kbw s LYS 277 CO 0.05 0.07 0.76 0.08 -0.36 0.00 0.00 175.35 175.95 1kbw s VAL 278 N 1.02 4.78 -1.22 4.02 1.01 -0.60 -4.90 120.40 124.51 1kbw s VAL 278 Ca 0.10 -0.99 0.26 0.00 0.00 0.00 0.00 61.98 61.34 1kbw s VAL 278 Cb -0.13 -4.53 0.09 0.00 0.00 0.00 0.00 36.38 31.81 1kbw s VAL 278 CO 0.04 -1.18 1.47 -0.90 0.00 0.00 0.00 175.10 174.53 1kbw n ASP 279 N 6.43 0.64 -3.85 3.32 3.85 -1.26 0.12 116.55 125.80 1kbw n ASP 279 Ca -0.07 -0.42 -0.13 0.00 -0.71 0.00 0.00 54.79 53.46 1kbw n ASP 279 Cb 0.43 0.20 -0.15 0.00 -1.35 0.00 0.00 41.12 40.26 1kbw n ASP 279 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1kbw s ILE 280 N -2.85 0.03 0.91 2.12 2.07 -1.26 -4.42 121.20 117.79 1kbw s ILE 280 Ca 0.15 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.31 1kbw s ILE 280 Cb 0.18 -0.07 0.06 0.00 0.13 0.00 0.00 42.46 42.76 1kbw s ILE 280 CO 0.64 0.04 0.69 -2.65 -1.91 0.00 0.00 174.94 171.76 1kbw n PRO 281 N 3.41 -0.23 -0.14 3.50 -0.02 -1.26 -4.94 135.00 135.32 1kbw n PRO 281 Ca -0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1kbw n PRO 281 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1kbw n PRO 281 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kbw n GLY 282 N 1.09 0.91 3.39 -1.23 0.00 -0.43 -4.97 105.19 103.95 1kbw n GLY 282 Ca 0.09 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1kbw n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kbw s ASN 283 N -2.10 4.68 -0.14 1.61 0.01 -1.26 -1.05 114.94 116.69 1kbw s ASN 283 Ca 0.00 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.85 1kbw s ASN 283 Cb 0.00 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 1kbw s ASN 283 CO 0.00 0.01 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.22 1kbw s TYR 284 N 1.29 2.95 -0.18 2.20 1.51 -0.24 -4.94 117.35 119.94 1kbw s TYR 284 Ca 0.04 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1kbw s TYR 284 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1kbw s TYR 284 CO 0.00 -0.05 -0.07 -0.08 -1.11 0.00 0.00 175.55 174.24 1kbw s THR 285 N 0.24 3.36 0.22 -0.71 -1.32 -1.22 0.34 115.64 116.54 1kbw s THR 285 Ca -0.05 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.62 1kbw s THR 285 Cb -0.14 -2.49 -0.09 0.00 -1.51 0.00 0.00 72.50 68.27 1kbw s THR 285 CO 0.04 0.47 0.91 -0.76 -2.21 0.00 0.00 174.62 173.07 1kbw s LEU 286 N 0.96 4.63 0.17 9.08 1.43 0.16 -1.04 118.68 134.08 1kbw s LEU 286 Ca -0.01 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1kbw s LEU 286 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1kbw s LEU 286 CO 0.00 0.15 0.35 0.68 0.23 0.00 0.00 176.35 177.77 1kbw s VAL 287 N -1.09 0.05 -0.27 -1.59 -7.23 -0.09 -1.42 120.40 108.76 1kbw s VAL 287 Ca 0.40 -1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 59.18 1kbw s VAL 287 Cb -0.25 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 1kbw s VAL 287 CO 0.31 -0.24 0.47 -0.62 -0.31 0.00 0.00 175.10 174.70 1kbw s ASP 288 N -2.94 6.37 0.00 4.85 -1.08 -1.23 -1.94 116.67 120.69 1kbw s ASP 288 Ca 0.15 0.42 0.13 0.00 -0.52 0.00 0.00 52.55 52.73 1kbw s ASP 288 Cb 0.02 -2.26 0.79 0.00 -1.46 0.00 0.00 42.92 40.02 1kbw s ASP 288 CO -0.01 -0.26 1.23 1.57 0.52 0.00 0.00 175.17 178.22 1kbw n HIS 289 N 5.49 0.00 -2.29 -5.34 -0.00 0.82 -3.32 115.22 110.58 1kbw n HIS 289 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.24 1kbw n HIS 289 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1kbw n HIS 289 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1kbw n SER 290 N -0.89 4.64 -0.12 0.26 7.64 -1.26 -4.81 113.62 119.07 1kbw n SER 290 Ca 0.10 -2.94 0.09 0.00 1.01 0.00 0.00 58.87 57.13 1kbw n SER 290 Cb 0.05 -1.64 0.17 0.00 -1.01 0.00 0.00 64.21 61.78 1kbw n SER 290 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1kbw n ILE 291 N 5.05 -0.16 0.26 0.44 2.08 -1.21 -1.36 119.36 124.46 1kbw n ILE 291 Ca 0.46 0.79 0.14 0.00 0.56 0.00 0.00 62.75 64.71 1kbw n ILE 291 Cb 0.41 -1.23 0.66 0.00 -0.75 0.00 0.00 39.64 38.74 1kbw n ILE 291 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1kbw h PHE 292 N 0.00 0.00 -0.35 1.39 -1.00 -1.87 -1.98 116.94 113.13 1kbw h PHE 292 Ca 0.28 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.94 1kbw h PHE 292 Cb 0.68 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1kbw h PHE 292 CO -0.09 0.10 -0.26 0.00 -1.61 0.00 0.00 178.31 176.45 1kbw h ARG 293 N 0.00 0.72 0.20 1.51 3.08 -1.51 -0.39 114.38 117.99 1kbw h ARG 293 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1kbw h ARG 293 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1kbw h ARG 293 CO 0.01 0.90 -0.10 0.00 -1.07 0.00 0.00 179.97 179.71 1kbw h ALA 294 N 1.09 -0.27 -0.01 0.04 0.00 -1.52 -1.56 119.26 117.03 1kbw h ALA 294 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kbw h ALA 294 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kbw h ALA 294 CO 0.06 -0.36 -0.06 1.19 0.00 0.00 0.00 179.25 180.09 1kbw n PHE 295 N -4.97 0.00 0.00 0.00 3.01 -0.88 -3.55 117.46 111.07 1kbw n PHE 295 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1kbw n PHE 295 Cb 0.26 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1kbw n PHE 295 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kbw n ASN 296 N -0.09 2.87 -0.17 4.37 3.02 -0.18 -4.85 115.26 120.24 1kbw n ASN 296 Ca 0.18 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.75 1kbw n ASN 296 Cb 0.34 0.49 0.01 0.00 -0.61 0.00 0.00 39.78 40.01 1kbw n ASN 296 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kbw n LYS 297 N -1.01 0.98 0.00 3.52 5.02 -0.79 -5.01 118.16 120.88 1kbw n LYS 297 Ca 0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1kbw n LYS 297 Cb 0.08 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1kbw n LYS 297 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kbw n GLY 298 N 0.48 0.52 2.71 0.72 0.00 -0.76 -1.65 105.19 107.21 1kbw n GLY 298 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1kbw n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw n ALA 299 N -1.58 5.36 -3.72 4.61 0.00 0.24 -4.39 120.51 121.03 1kbw n ALA 299 Ca 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 53.44 49.86 1kbw n ALA 299 Cb 0.00 -3.45 -0.16 0.00 0.00 0.00 0.00 19.45 15.83 1kbw n ALA 299 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1kbw s LEU 300 N 1.23 0.56 0.27 0.00 0.20 -1.26 -3.53 118.68 116.14 1kbw s LEU 300 Ca 0.53 0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.52 1kbw s LEU 300 Cb 0.14 0.03 -0.06 0.00 -0.43 0.00 0.00 46.19 45.88 1kbw s LEU 300 CO -0.03 -0.19 0.03 -0.83 -0.29 0.00 0.00 176.35 175.05 1kbw s GLY 301 N 1.61 1.75 0.01 7.98 0.00 -0.51 -4.59 107.32 113.57 1kbw s GLY 301 Ca -0.03 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.84 1kbw s GLY 301 CO -0.04 -1.70 -0.10 1.20 0.00 0.00 0.00 173.10 172.46 1kbw s GLN 302 N -3.90 0.72 -0.26 2.90 -0.21 0.63 -0.66 119.66 118.88 1kbw s GLN 302 Ca 0.33 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.28 1kbw s GLN 302 Cb 0.07 -0.68 0.06 0.00 1.00 0.00 0.00 33.01 33.46 1kbw s GLN 302 CO 0.12 0.18 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.20 1kbw s LEU 303 N -0.57 3.36 -0.23 2.90 2.96 0.15 -0.37 118.68 126.88 1kbw s LEU 303 Ca 0.01 -1.39 -0.16 0.00 -0.22 0.00 0.00 54.13 52.37 1kbw s LEU 303 Cb -0.05 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1kbw s LEU 303 CO 0.00 -0.20 0.43 -0.54 -1.32 0.00 0.00 176.35 174.72 1kbw s LYS 304 N 1.14 4.12 -0.28 1.98 1.02 0.71 -1.07 119.74 127.35 1kbw s LYS 304 Ca -0.08 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.09 1kbw s LYS 304 Cb -0.20 -3.59 0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1kbw s LYS 304 CO -0.05 -0.17 -0.01 0.08 -0.92 0.00 0.00 175.35 174.28 1kbw s VAL 305 N 1.73 3.13 0.67 3.17 1.01 -0.21 -1.52 120.40 128.37 1kbw s VAL 305 Ca 0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1kbw s VAL 305 Cb -0.15 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.62 1kbw s VAL 305 CO 0.09 0.06 0.95 -1.61 0.00 0.00 0.00 175.10 174.59 1kbw s GLU 306 N 1.33 2.21 0.00 2.72 2.02 -0.79 -1.31 118.70 124.88 1kbw s GLU 306 Ca -0.01 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1kbw s GLU 306 Cb -0.18 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1kbw s GLU 306 CO -0.02 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.53 1kbw n GLY 307 N -2.77 0.73 3.34 -1.39 0.00 -1.26 -0.51 105.19 103.33 1kbw n GLY 307 Ca 0.09 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1kbw n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw s ALA 308 N -1.53 2.25 0.16 4.61 0.00 -1.26 -4.87 121.76 121.12 1kbw s ALA 308 Ca 0.00 -1.23 -0.34 0.00 0.00 0.00 0.00 51.96 50.39 1kbw s ALA 308 Cb 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 1kbw s ALA 308 CO 0.00 0.53 1.56 0.39 0.00 0.00 0.00 175.76 178.24 1kbw n GLU 309 N 1.94 2.09 -3.97 0.00 1.02 -1.26 -4.56 120.64 115.89 1kbw n GLU 309 Ca -0.17 0.75 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 1kbw n GLU 309 Cb 0.52 -2.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.28 1kbw n GLU 309 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kbw s ASN 310 N 0.86 4.64 0.65 1.62 3.84 -1.26 -4.97 114.94 120.32 1kbw s ASN 310 Ca 0.79 -2.09 0.42 0.00 0.21 0.00 0.00 52.86 52.19 1kbw s ASN 310 Cb -0.69 -1.51 2.25 0.00 -0.55 0.00 0.00 41.25 40.75 1kbw s ASN 310 CO 0.39 -0.38 2.31 -0.65 -2.79 0.00 0.00 177.10 175.98 1kbw h PRO 311 N 7.67 0.00 -0.49 0.43 0.11 -1.97 -2.48 132.00 135.27 1kbw h PRO 311 Ca -0.06 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 1kbw h PRO 311 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1kbw h PRO 311 CO 0.51 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 179.05 1kbw h GLU 312 N 0.00 1.00 -0.02 1.05 5.08 -2.04 -3.20 114.58 116.45 1kbw h GLU 312 Ca -0.00 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1kbw h GLU 312 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1kbw h GLU 312 CO 0.00 1.09 -0.10 0.82 -1.00 0.00 0.00 179.01 179.83 1kbw h ILE 313 N 0.86 1.51 0.00 3.13 1.08 -1.89 -3.56 117.51 118.63 1kbw h ILE 313 Ca 0.12 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.95 1kbw h ILE 313 Cb 0.77 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1kbw h ILE 313 CO 0.06 0.44 0.00 0.80 -0.69 0.00 0.00 178.15 178.76