#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 0.00 -4.77 4.31 4.77 -1.26 -4.85 117.00 115.20 1kbw n LEU 14 Ca 0.00 0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 56.14 1kbw n LEU 14 Cb 0.00 -0.78 -0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1kbw n LEU 14 CO 0.00 -0.01 0.82 -2.84 -1.33 0.00 0.00 177.39 174.03 1kbw s PRO 15 N -0.49 3.56 -0.20 3.23 0.02 -1.26 -4.72 135.00 135.14 1kbw s PRO 15 Ca 0.00 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.68 1kbw s PRO 15 Cb 0.00 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 32.22 1kbw s PRO 15 CO 0.00 -0.71 0.11 0.08 -0.33 0.00 0.00 177.00 176.15 1kbw s VAL 16 N -1.60 5.15 -0.03 3.83 1.01 -1.26 -1.82 120.40 125.68 1kbw s VAL 16 Ca 0.67 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1kbw s VAL 16 Cb -0.28 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1kbw s VAL 16 CO 0.33 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 175.11 1kbw s ILE 17 N 0.52 1.02 -0.18 2.22 1.01 -0.77 -4.99 121.20 120.03 1kbw s ILE 17 Ca 0.06 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 59.98 1kbw s ILE 17 Cb -0.12 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1kbw s ILE 17 CO 0.00 0.30 0.73 -1.81 0.00 0.00 0.00 174.94 174.16 1kbw s ASP 18 N 0.05 6.82 0.80 3.58 1.01 -1.26 -1.11 116.67 126.55 1kbw s ASP 18 Ca -0.02 1.00 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 1kbw s ASP 18 Cb -0.09 -2.40 0.07 0.00 1.01 0.00 0.00 42.92 41.51 1kbw s ASP 18 CO 0.01 -0.33 1.09 0.00 0.21 0.00 0.00 175.17 176.15 1kbw s ALA 19 N 2.01 2.11 -0.24 5.23 0.00 -0.63 -4.91 121.76 125.33 1kbw s ALA 19 Ca 0.33 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1kbw s ALA 19 Cb -0.16 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1kbw s ALA 19 CO 0.11 -1.88 -0.10 0.08 0.00 0.00 0.00 175.76 173.97 1kbw s VAL 20 N -2.92 2.48 -0.11 0.00 1.01 -1.26 -4.98 120.40 114.63 1kbw s VAL 20 Ca 0.62 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1kbw s VAL 20 Cb -0.17 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1kbw s VAL 20 CO 0.56 0.16 -0.11 0.42 0.00 0.00 0.00 175.10 176.13 1kbw s THR 21 N 1.24 3.24 0.16 3.92 -4.23 -1.26 -4.62 115.64 114.08 1kbw s THR 21 Ca -0.02 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1kbw s THR 21 Cb -0.17 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1kbw s THR 21 CO -0.06 0.55 0.15 0.42 -0.54 0.00 0.00 174.62 175.13 1kbw s THR 22 N -0.05 4.56 0.57 3.99 -4.23 -1.16 -4.84 115.64 114.48 1kbw s THR 22 Ca -0.02 -1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1kbw s THR 22 Cb -0.14 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 1kbw s THR 22 CO 0.04 -0.09 0.96 -1.00 -0.54 0.00 0.00 174.62 173.98 1kbw s HIS 23 N -1.73 3.59 0.26 3.99 3.76 -1.26 -1.66 115.29 122.24 1kbw s HIS 23 Ca 0.31 1.18 -0.26 0.00 -0.15 0.00 0.00 55.06 56.14 1kbw s HIS 23 Cb -0.10 -2.61 -0.09 0.00 1.11 0.00 0.00 32.58 30.88 1kbw s HIS 23 CO 0.24 -0.54 0.88 0.00 -0.85 0.00 0.00 174.74 174.46 1kbw s ALA 24 N -2.99 3.32 0.00 -1.40 0.00 -1.26 -2.70 121.76 116.72 1kbw s ALA 24 Ca 0.53 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1kbw s ALA 24 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1kbw s ALA 24 CO 0.49 0.23 0.00 -2.30 0.00 0.00 0.00 175.76 174.18 1kbw n PRO 25 N 0.97 0.00 -2.69 0.00 -0.02 -1.24 -5.03 135.00 126.99 1kbw n PRO 25 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1kbw n PRO 25 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 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 4.38 0.01 -0.52 2.02 -1.10 -0.03 118.70 123.46 1kbw s GLU 26 Ca 0.00 1.38 0.08 0.00 0.02 0.00 0.00 54.97 56.45 1kbw s GLU 26 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1kbw s GLU 26 CO 0.00 0.07 -0.23 0.08 0.02 0.00 0.00 175.26 175.21 1kbw s VAL 27 N -1.70 2.41 0.90 2.63 1.01 -1.26 -4.54 120.40 119.84 1kbw s VAL 27 Ca 0.55 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1kbw s VAL 27 Cb -0.19 -1.93 0.13 0.00 0.00 0.00 0.00 36.38 34.39 1kbw s VAL 27 CO 0.24 0.45 1.11 -2.84 0.00 0.00 0.00 175.10 174.06 1kbw s PRO 28 N -1.04 1.18 0.54 2.72 0.02 -1.26 -4.94 135.00 132.22 1kbw s PRO 28 Ca 0.12 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.19 1kbw s PRO 28 Cb -0.10 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 1kbw s PRO 28 CO 0.02 -2.43 1.28 -2.30 -0.33 0.00 0.00 177.00 173.24 1kbw n PRO 29 N -4.07 1.55 -1.90 5.54 -0.02 -1.26 -4.93 135.00 129.91 1kbw n PRO 29 Ca 0.09 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 1kbw n PRO 29 Cb 0.53 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.32 2.72 -0.19 3.55 0.00 -1.26 -4.89 121.76 120.38 1kbw s ALA 30 Ca 0.72 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 1kbw s ALA 30 Cb -0.43 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1kbw s ALA 30 CO 0.49 -1.25 1.71 0.42 0.00 0.00 0.00 175.76 177.13 1kbw s ILE 31 N -1.41 3.56 -0.68 0.00 -1.09 -1.26 -4.91 121.20 115.41 1kbw s ILE 31 Ca 0.73 0.64 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1kbw s ILE 31 Cb -0.36 -3.57 0.38 0.00 -1.58 0.00 0.00 42.46 37.33 1kbw s ILE 31 CO 0.41 -0.23 1.60 0.47 -1.23 0.00 0.00 174.94 175.96 1kbw n ASP 32 N 8.61 6.25 -3.82 3.58 8.00 -1.26 -4.96 116.55 132.96 1kbw n ASP 32 Ca 0.20 -3.78 -0.12 0.00 0.71 0.00 0.00 54.79 51.80 1kbw n ASP 32 Cb 0.45 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.85 0.49 -0.28 -1.24 1.70 -1.26 -5.07 118.95 109.44 1kbw s ARG 33 Ca 0.49 -0.15 0.08 0.00 -0.47 0.00 0.00 55.73 55.68 1kbw s ARG 33 Cb 0.40 0.21 0.46 0.00 -0.57 0.00 0.00 34.95 35.45 1kbw s ARG 33 CO -0.30 -0.12 1.19 -0.40 -1.08 0.00 0.00 175.30 174.60 1kbw n ASP 34 N 1.78 4.50 -3.81 -2.89 5.75 -1.26 -5.01 116.55 115.61 1kbw n ASP 34 Ca -0.20 -3.74 -0.12 0.00 -0.01 0.00 0.00 54.79 50.72 1kbw n ASP 34 Cb 0.56 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 40.20 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 -3.56 -0.08 0.67 2.11 -0.85 -1.26 -5.16 117.35 109.23 1kbw s TYR 35 Ca 0.49 0.09 -0.16 0.00 -0.52 0.00 0.00 57.07 56.97 1kbw s TYR 35 Cb 0.40 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.78 1kbw s TYR 35 CO 0.03 -0.34 1.19 -2.14 -1.52 0.00 0.00 175.55 172.76 1kbw s PRO 36 N -1.34 2.53 0.20 -3.49 0.02 -1.26 -5.02 135.00 126.64 1kbw s PRO 36 Ca -0.14 1.70 -0.15 0.00 0.02 0.00 0.00 61.00 62.44 1kbw s PRO 36 Cb -0.06 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1kbw s PRO 36 CO 0.03 -1.52 0.46 0.00 -0.33 0.00 0.00 177.00 175.64 1kbw s ALA 37 N -1.94 -0.58 -0.37 -1.55 0.00 -1.26 -4.52 121.76 111.55 1kbw s ALA 37 Ca 0.74 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 1kbw s ALA 37 Cb -0.28 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1kbw s ALA 37 CO 0.41 -0.78 0.26 0.21 0.00 0.00 0.00 175.76 175.86 1kbw s LYS 38 N -3.93 3.30 -0.35 0.00 2.20 -0.76 -1.30 119.74 118.91 1kbw s LYS 38 Ca 0.14 -0.78 -0.13 0.00 -0.36 0.00 0.00 55.97 54.83 1kbw s LYS 38 Cb -0.00 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1kbw s LYS 38 CO 0.00 -0.56 0.27 0.08 -0.36 0.00 0.00 175.35 174.78 1kbw s VAL 39 N 1.71 5.26 -0.21 4.02 1.01 0.85 -1.85 120.40 131.19 1kbw s VAL 39 Ca 0.06 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 1kbw s VAL 39 Cb -0.18 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1kbw s VAL 39 CO 0.10 -0.05 0.83 -0.13 0.00 0.00 0.00 175.10 175.85 1kbw s ARG 40 N 1.77 4.23 -0.08 2.72 0.52 -0.27 -0.80 118.95 127.04 1kbw s ARG 40 Ca 0.07 0.97 0.05 0.00 -0.52 0.00 0.00 55.73 56.30 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 -0.44 -0.23 0.08 0.02 0.00 0.00 175.30 174.84 1kbw s VAL 41 N 2.56 2.23 -0.19 3.52 1.01 0.41 -1.60 120.40 128.34 1kbw s VAL 41 Ca 0.36 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1kbw s VAL 41 Cb -0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1kbw s VAL 41 CO 0.09 0.56 -0.05 -0.54 0.00 0.00 0.00 175.10 175.17 1kbw s LYS 42 N -0.01 3.48 -0.00 2.72 1.02 -1.26 -0.67 119.74 125.02 1kbw s LYS 42 Ca -0.08 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 42 Cb -0.15 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1kbw s LYS 42 CO 0.05 0.01 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.71 1kbw s MET 43 N 0.94 1.17 -0.02 1.68 -1.94 -0.28 -4.97 119.30 115.88 1kbw s MET 43 Ca -0.00 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1kbw s MET 43 Cb -0.15 -1.14 -0.00 0.00 2.01 0.00 0.00 34.83 35.55 1kbw s MET 43 CO 0.01 0.31 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.21 1kbw s GLU 44 N -0.44 1.14 -0.24 2.03 2.12 -1.26 -0.20 118.70 121.85 1kbw s GLU 44 Ca 0.05 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.89 1kbw s GLU 44 Cb -0.06 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 1kbw s GLU 44 CO -0.00 0.19 0.10 0.95 -0.54 0.00 0.00 175.26 175.95 1kbw s THR 45 N 0.01 4.69 -0.02 -1.70 -4.23 0.55 0.49 115.64 115.43 1kbw s THR 45 Ca -0.01 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 1kbw s THR 45 Cb -0.08 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1kbw s THR 45 CO 0.00 0.34 -0.09 0.54 -0.54 0.00 0.00 174.62 174.88 1kbw s VAL 46 N 1.35 0.76 -0.14 2.29 0.11 -0.70 -1.48 120.40 122.59 1kbw s VAL 46 Ca 0.06 -0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 1kbw s VAL 46 Cb -0.15 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1kbw s VAL 46 CO 0.05 0.24 0.34 -1.61 -3.33 0.00 0.00 175.10 170.79 1kbw s GLU 47 N 0.18 4.25 -0.04 1.54 2.02 -1.26 -1.32 118.70 124.07 1kbw s GLU 47 Ca -0.03 0.20 -0.24 0.00 0.02 0.00 0.00 54.97 54.92 1kbw s GLU 47 Cb -0.08 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.78 1kbw s GLU 47 CO 0.00 0.25 0.52 -1.59 0.02 0.00 0.00 175.26 174.46 1kbw s LYS 48 N 0.41 0.88 -0.08 1.61 -2.85 -0.23 -4.95 119.74 114.53 1kbw s LYS 48 Ca 0.19 0.07 -0.20 0.00 -1.00 0.00 0.00 55.97 55.03 1kbw s LYS 48 Cb -0.14 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1kbw s LYS 48 CO 0.06 -0.26 0.56 0.99 0.10 0.00 0.00 175.35 176.80 1kbw s THR 49 N -1.23 5.10 0.28 3.79 2.01 -1.26 -1.09 115.64 123.23 1kbw s THR 49 Ca -0.12 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.05 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 0.07 0.33 0.23 -0.04 -0.69 0.00 0.00 174.62 174.52 1kbw s MET 50 N 0.50 1.54 -0.17 4.92 -1.94 -0.69 -4.96 119.30 118.50 1kbw s MET 50 Ca 0.30 -1.84 -0.25 0.00 -1.71 0.00 0.00 55.69 52.19 1kbw s MET 50 Cb -0.16 0.31 -0.02 0.00 2.01 0.00 0.00 34.83 36.97 1kbw s MET 50 CO 0.14 -0.55 0.80 0.21 -0.01 0.00 0.00 175.02 175.61 1kbw s LYS 51 N -3.72 4.29 -0.09 2.03 2.20 -1.26 -1.05 119.74 122.14 1kbw s LYS 51 Ca 0.39 0.97 -0.10 0.00 -0.36 0.00 0.00 55.97 56.87 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 0.21 -0.31 0.51 1.98 -0.36 0.00 0.00 175.35 177.38 1kbw h MET 52 N 7.34 0.31 -3.61 4.03 1.85 -0.72 -3.45 114.93 120.67 1kbw h MET 52 Ca -0.30 -0.53 -0.13 0.00 -0.61 0.00 0.00 59.70 58.14 1kbw h MET 52 Cb 1.13 0.20 -0.06 0.00 0.43 0.00 0.00 31.60 33.30 1kbw h MET 52 CO 0.83 1.25 -0.01 0.34 -0.40 0.00 0.00 176.91 178.92 1kbw s ASP 53 N -7.14 0.34 0.05 1.39 3.68 -1.12 -0.38 116.67 113.48 1kbw s ASP 53 Ca -0.20 -1.20 -0.32 0.00 2.13 0.00 0.00 52.55 52.96 1kbw s ASP 53 Cb 0.06 0.70 -0.11 0.00 -1.45 0.00 0.00 42.92 42.12 1kbw s ASP 53 CO 0.80 -1.38 1.84 -0.67 0.13 0.00 0.00 175.17 175.89 1kbw n ASP 54 N -1.10 3.76 0.00 -0.34 -0.08 -1.26 -1.00 116.55 116.53 1kbw n ASP 54 Ca -0.03 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 1kbw n ASP 54 Cb 0.61 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.60 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 4.23 0.47 3.28 0.27 0.00 -1.26 -4.96 105.19 107.21 1kbw n GLY 55 Ca 0.20 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 -2.33 2.92 0.16 1.61 1.01 -0.17 -1.03 120.40 122.56 1kbw s VAL 56 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1kbw s VAL 56 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1kbw s VAL 56 CO 0.00 0.48 -0.05 -1.61 0.00 0.00 0.00 175.10 173.92 1kbw s GLU 57 N 1.09 2.25 -0.01 2.72 2.02 -0.33 0.02 118.70 126.47 1kbw s GLU 57 Ca 0.00 -1.12 -0.04 0.00 0.02 0.00 0.00 54.97 53.83 1kbw s GLU 57 Cb -0.15 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 1kbw s GLU 57 CO -0.03 0.46 0.08 -0.47 0.02 0.00 0.00 175.26 175.32 1kbw s TYR 58 N -1.59 0.05 -0.88 1.61 5.04 -0.22 -0.77 117.35 120.59 1kbw s TYR 58 Ca 0.25 -0.11 -0.18 0.00 -2.44 0.00 0.00 57.07 54.59 1kbw s TYR 58 Cb -0.10 -0.06 0.14 0.00 0.35 0.00 0.00 41.96 42.29 1kbw s TYR 58 CO 0.16 -0.18 1.04 0.50 -1.34 0.00 0.00 175.55 175.74 1kbw s ARG 59 N -0.92 3.53 0.36 4.97 6.06 -1.26 -1.71 118.95 129.98 1kbw s ARG 59 Ca -0.10 -1.75 -0.24 0.00 -2.50 0.00 0.00 55.73 51.13 1kbw s ARG 59 Cb -0.06 -4.76 -0.10 0.00 0.06 0.00 0.00 34.95 30.08 1kbw s ARG 59 CO 0.00 -1.70 0.95 0.71 -2.50 0.00 0.00 175.30 172.76 1kbw s TYR 60 N 2.47 3.56 -0.26 5.12 1.51 -0.25 -4.88 117.35 124.62 1kbw s TYR 60 Ca 0.29 1.72 -0.04 0.00 -1.01 0.00 0.00 57.07 58.03 1kbw s TYR 60 Cb -0.08 -2.90 0.01 0.00 -0.11 0.00 0.00 41.96 38.89 1kbw s TYR 60 CO -0.07 0.10 0.00 -1.58 -1.11 0.00 0.00 175.55 172.89 1kbw s TRP 61 N -1.81 3.07 0.33 2.71 0.51 -0.34 -1.06 118.94 122.35 1kbw s TRP 61 Ca 0.54 -1.11 0.07 0.00 -2.12 0.00 0.00 56.10 53.48 1kbw s TRP 61 Cb -0.15 -2.15 -0.07 0.00 -0.81 0.00 0.00 33.47 30.29 1kbw s TRP 61 CO 0.20 -0.60 -0.02 0.95 -0.51 0.00 0.00 176.95 176.96 1kbw s THR 62 N 1.45 1.76 -0.37 2.01 -4.23 -0.44 -2.75 115.64 113.06 1kbw s THR 62 Ca 0.03 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 1kbw s THR 62 Cb -0.16 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.03 1kbw s THR 62 CO -0.01 -0.14 0.18 -0.36 -0.54 0.00 0.00 174.62 173.75 1kbw s PHE 63 N -2.92 3.28 -1.14 3.99 0.08 -1.25 -1.72 117.98 118.31 1kbw s PHE 63 Ca 0.33 -1.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.05 1kbw s PHE 63 Cb 0.06 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1kbw s PHE 63 CO 0.15 -0.74 0.08 -0.25 -0.10 0.00 0.00 175.22 174.36 1kbw n ASP 64 N 4.90 -4.28 0.00 1.36 9.92 0.18 -4.00 116.55 124.63 1kbw n ASP 64 Ca -0.11 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1kbw n ASP 64 Cb 0.44 -3.40 0.00 0.00 -0.64 0.00 0.00 41.12 37.53 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 -1.06 0.64 3.52 0.44 0.00 -1.26 -4.96 105.19 102.50 1kbw n GLY 65 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.13 -4.14 1.61 -0.08 -1.26 -5.02 116.55 105.53 1kbw n ASP 66 Ca 0.00 -2.51 -0.31 0.00 -1.51 0.00 0.00 54.79 50.46 1kbw n ASP 66 Cb 0.00 3.56 -0.17 0.00 2.34 0.00 0.00 41.12 46.85 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 -2.18 1.89 0.46 5.18 1.01 -1.26 -3.90 120.40 121.61 1kbw s VAL 67 Ca 0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1kbw s VAL 67 Cb -0.05 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.76 1kbw s VAL 67 CO 0.11 0.52 0.63 -0.81 0.00 0.00 0.00 175.10 175.56 1kbw n PRO 68 N 4.03 -0.50 -1.15 2.72 -0.04 -1.26 -3.15 135.00 135.66 1kbw n PRO 68 Ca -0.20 -1.07 -0.25 0.00 -0.04 0.00 0.00 63.50 61.94 1kbw n PRO 68 Cb 0.52 -0.62 0.20 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.78 -2.27 3.75 0.55 0.00 -0.77 -4.69 105.19 102.54 1kbw n GLY 69 Ca 0.08 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -5.25 4.60 0.23 1.61 0.52 -1.26 -4.63 118.95 114.77 1kbw s ARG 70 Ca 0.62 1.83 -0.30 0.00 -0.52 0.00 0.00 55.73 57.37 1kbw s ARG 70 Cb -0.04 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 1kbw s ARG 70 CO 0.46 0.13 1.08 1.41 0.02 0.00 0.00 175.30 178.41 1kbw s MET 71 N -1.19 4.64 -0.10 3.54 -2.45 -0.66 -4.61 119.30 118.47 1kbw s MET 71 Ca 0.46 1.73 -0.00 0.00 -1.25 0.00 0.00 55.69 56.63 1kbw s MET 71 Cb -0.32 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 1kbw s MET 71 CO 0.41 0.18 -0.07 0.42 1.05 0.00 0.00 175.02 177.00 1kbw s ILE 72 N -0.73 3.63 -0.18 10.11 1.01 -0.88 -2.96 121.20 131.21 1kbw s ILE 72 Ca 0.46 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1kbw s ILE 72 Cb -0.30 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1kbw s ILE 72 CO 0.37 0.56 -0.05 -0.60 0.00 0.00 0.00 174.94 175.22 1kbw s ARG 73 N -0.36 1.48 0.39 2.79 3.52 -1.26 0.62 118.95 126.13 1kbw s ARG 73 Ca 0.05 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 1kbw s ARG 73 Cb -0.12 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.13 1kbw s ARG 73 CO 0.02 -0.46 0.15 1.33 -0.81 0.00 0.00 175.30 175.54 1kbw n VAL 74 N 4.84 0.00 -4.78 7.11 0.24 -0.34 -4.93 118.33 120.47 1kbw n VAL 74 Ca -0.12 -2.33 -0.33 0.00 -2.04 0.00 0.00 64.34 59.53 1kbw n VAL 74 Cb 0.47 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.58 1kbw n VAL 74 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1kbw s ARG 75 N -3.50 2.52 0.02 7.34 3.52 -1.26 -0.66 118.95 126.93 1kbw s ARG 75 Ca 0.22 -0.69 -0.37 0.00 -0.13 0.00 0.00 55.73 54.76 1kbw s ARG 75 Cb 0.01 -2.42 -0.16 0.00 -1.56 0.00 0.00 34.95 30.82 1kbw s ARG 75 CO 0.15 0.62 1.43 -1.91 -0.81 0.00 0.00 175.30 174.79 1kbw n GLU 76 N 2.16 1.21 0.00 5.12 2.13 0.88 -0.71 120.64 131.43 1kbw n GLU 76 Ca -0.17 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1kbw n GLU 76 Cb 0.52 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 2.90 2.03 3.77 8.31 0.00 0.87 -4.71 105.19 118.36 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 -1.45 4.81 -0.22 1.61 -0.00 0.12 -4.72 116.67 116.81 1kbw s ASP 78 Ca 0.00 1.91 -0.07 0.00 -0.00 0.00 0.00 52.55 54.39 1kbw s ASP 78 Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 1kbw s ASP 78 CO 0.00 -1.83 0.06 -0.89 -0.00 0.00 0.00 175.17 172.51 1kbw s THR 79 N -2.62 4.44 -0.34 -1.27 2.01 -0.42 -0.72 115.64 116.72 1kbw s THR 79 Ca 0.64 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1kbw s THR 79 Cb -0.19 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 1kbw s THR 79 CO 0.49 0.39 0.21 -0.69 -0.69 0.00 0.00 174.62 174.32 1kbw s VAL 80 N 1.11 4.91 -0.30 3.82 1.01 0.87 -0.11 120.40 131.71 1kbw s VAL 80 Ca 0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1kbw s VAL 80 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1kbw s VAL 80 CO 0.03 -0.04 0.19 -0.70 0.00 0.00 0.00 175.10 174.58 1kbw s GLU 81 N 1.65 3.66 -0.20 2.72 2.12 0.02 -1.83 118.70 126.84 1kbw s GLU 81 Ca 0.05 -0.51 -0.06 0.00 0.36 0.00 0.00 54.97 54.80 1kbw s GLU 81 Cb -0.18 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1kbw s GLU 81 CO 0.08 -0.31 0.03 0.08 -0.54 0.00 0.00 175.26 174.60 1kbw s VAL 82 N 1.71 4.31 -0.44 3.70 1.01 0.57 -0.45 120.40 130.81 1kbw s VAL 82 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1kbw s VAL 82 Cb -0.17 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.34 1kbw s VAL 82 CO 0.09 0.43 0.32 -0.70 0.00 0.00 0.00 175.10 175.24 1kbw s GLU 83 N 0.83 2.75 -0.31 2.72 2.12 0.16 -1.98 118.70 125.00 1kbw s GLU 83 Ca 0.02 -1.43 -0.11 0.00 0.36 0.00 0.00 54.97 53.81 1kbw s GLU 83 Cb -0.14 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1kbw s GLU 83 CO 0.02 -1.00 0.20 0.12 -0.54 0.00 0.00 175.26 174.06 1kbw s PHE 84 N 1.51 3.21 -0.11 5.30 5.36 0.18 -1.12 117.98 132.30 1kbw s PHE 84 Ca 0.03 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1kbw s PHE 84 Cb -0.24 -2.41 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 1kbw s PHE 84 CO 0.04 -0.32 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.16 1kbw s SER 85 N 1.71 3.41 -0.35 6.13 0.01 0.72 0.10 113.70 125.42 1kbw s SER 85 Ca 0.06 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1kbw s SER 85 Cb -0.17 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1kbw s SER 85 CO 0.09 0.16 0.25 0.21 0.41 0.00 0.00 173.24 174.36 1kbw s ASN 86 N 0.36 6.03 0.31 2.44 2.47 -0.62 -0.33 114.94 125.61 1kbw s ASN 86 Ca -0.16 -0.54 -0.27 0.00 0.42 0.00 0.00 52.86 52.32 1kbw s ASN 86 Cb -0.17 -2.13 -0.14 0.00 -1.45 0.00 0.00 41.25 37.36 1kbw s ASN 86 CO 0.07 -0.28 0.83 -3.20 -3.72 0.00 0.00 177.10 170.80 1kbw n ASN 87 N 5.11 0.39 -0.14 -4.21 5.15 -0.55 -0.20 115.26 120.81 1kbw n ASN 87 Ca -0.12 1.10 0.22 0.00 -0.60 0.00 0.00 54.58 55.18 1kbw n ASN 87 Cb 0.49 -1.20 0.64 0.00 -0.53 0.00 0.00 39.78 39.18 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 1.52 0.15 -0.00 1.20 0.11 -1.90 -1.55 132.00 131.53 1kbw h PRO 88 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1kbw h PRO 88 Cb 1.37 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1kbw h PRO 88 CO 0.58 0.10 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.24 1kbw n SER 89 N -4.39 0.14 -4.74 -2.05 3.41 -1.26 -4.42 113.62 100.31 1kbw n SER 89 Ca 0.15 0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.50 1kbw n SER 89 Cb 0.73 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1kbw n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kbw n SER 90 N -1.39 2.46 -0.14 4.04 7.64 -0.59 -4.93 113.62 120.71 1kbw n SER 90 Ca 0.09 0.92 0.10 0.00 1.01 0.00 0.00 58.87 60.99 1kbw n SER 90 Cb 0.31 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 1kbw n SER 90 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kbw n THR 91 N -1.40 0.00 -4.03 0.44 -2.24 -1.26 -4.74 114.28 101.05 1kbw n THR 91 Ca 0.13 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1kbw n THR 91 Cb 0.46 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.84 0.10 0.73 2.28 -7.23 -1.26 -5.04 120.40 107.14 1kbw s VAL 92 Ca 0.11 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1kbw s VAL 92 Cb 0.17 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1kbw s VAL 92 CO 0.77 -0.47 1.08 -2.84 -0.31 0.00 0.00 175.10 173.33 1kbw s PRO 93 N -3.98 2.62 0.03 4.82 0.02 -1.26 -4.45 135.00 132.79 1kbw s PRO 93 Ca 0.17 1.09 -0.06 0.00 0.02 0.00 0.00 61.00 62.22 1kbw s PRO 93 Cb 0.05 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 1kbw s PRO 93 CO -0.02 -1.35 0.12 -1.01 -0.33 0.00 0.00 177.00 174.41 1kbw s HIS 94 N -2.91 0.13 0.00 6.54 3.76 -0.79 -4.91 115.29 117.11 1kbw s HIS 94 Ca 0.60 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1kbw s HIS 94 Cb -0.16 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1kbw s HIS 94 CO 0.54 -0.34 0.00 0.27 -0.85 0.00 0.00 174.74 174.36 1kbw n ASN 95 N 1.00 0.00 -3.76 1.40 0.23 -1.26 -0.68 115.26 112.18 1kbw n ASN 95 Ca -0.20 -0.77 -0.13 0.00 -0.53 0.00 0.00 54.58 52.95 1kbw n ASN 95 Cb 0.57 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 -2.40 -0.02 -0.28 3.53 0.11 -1.26 -4.14 120.40 115.93 1kbw s VAL 96 Ca 0.00 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1kbw s VAL 96 Cb 0.00 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1kbw s VAL 96 CO 0.00 0.03 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.15 1kbw s ASP 97 N 0.72 4.64 -0.26 3.54 3.68 0.12 -1.83 116.67 127.27 1kbw s ASP 97 Ca -0.05 -1.15 -0.16 0.00 2.13 0.00 0.00 52.55 53.33 1kbw s ASP 97 Cb -0.06 -1.68 -0.03 0.00 -1.45 0.00 0.00 42.92 39.70 1kbw s ASP 97 CO -0.04 -0.21 0.42 -0.36 0.13 0.00 0.00 175.17 175.11 1kbw s PHE 98 N 1.26 3.26 -1.15 -5.34 0.40 0.12 -1.41 117.98 115.12 1kbw s PHE 98 Ca -0.04 0.50 0.12 0.00 -0.60 0.00 0.00 56.93 56.91 1kbw s PHE 98 Cb -0.19 -2.62 0.55 0.00 0.51 0.00 0.00 43.02 41.28 1kbw s PHE 98 CO -0.03 -0.23 1.35 0.72 0.70 0.00 0.00 175.22 177.74 1kbw n HIS 99 N 5.34 0.00 0.53 0.36 8.25 -0.39 -1.34 115.22 127.96 1kbw n HIS 99 Ca -0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.51 1kbw n HIS 99 Cb 0.50 -0.42 0.18 0.00 1.12 0.00 0.00 29.99 31.37 1kbw n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kbw h ALA 100 N 2.47 0.62 -2.67 -1.41 0.00 -1.90 -3.47 119.26 112.91 1kbw h ALA 100 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1kbw h ALA 100 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1kbw h ALA 100 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 1kbw s ALA 101 N -3.18 3.74 -0.28 0.00 0.00 -0.45 -4.49 121.76 117.09 1kbw s ALA 101 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1kbw s ALA 101 Cb 0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1kbw s ALA 101 CO 0.71 0.52 0.14 0.99 0.00 0.00 0.00 175.76 178.13 1kbw s THR 102 N -1.13 4.74 0.00 0.00 2.01 -1.26 -4.58 115.64 115.42 1kbw s THR 102 Ca 0.24 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1kbw s THR 102 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1kbw s THR 102 CO 0.13 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1kbw n GLY 103 N 4.99 3.06 1.05 4.40 0.00 -1.26 -4.95 105.19 112.48 1kbw n GLY 103 Ca -0.15 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.91 0.00 -1.50 1.61 -0.06 -1.26 0.04 117.38 114.29 1kbw n GLN 104 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1kbw n GLN 104 Cb 0.00 -0.47 -0.02 0.00 -4.06 0.00 0.00 30.24 25.69 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 2.15 0.33 2.47 1.69 0.00 -1.26 -0.84 105.19 109.74 1kbw n GLY 105 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.25 0.64 0.00 -0.02 0.00 0.11 -2.04 105.19 103.63 1kbw n GLY 106 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.78 0.62 0.23 -0.02 0.00 -0.02 -0.70 105.19 104.51 1kbw n GLY 107 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.75 -0.18 4.61 0.00 -0.75 -0.73 119.26 122.95 1kbw h ALA 108 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1kbw h ALA 108 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kbw h ALA 108 CO 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.20 1kbw h ALA 109 N 1.33 0.24 0.00 0.00 0.00 -1.84 -2.72 119.26 116.27 1kbw h ALA 109 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1kbw h ALA 109 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kbw h ALA 109 CO -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1kbw h ALA 110 N 0.85 1.00 -0.38 0.00 0.00 -1.83 -3.18 119.26 115.72 1kbw h ALA 110 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kbw h ALA 110 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 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 -2.82 1.26 -1.74 0.00 -2.24 -0.30 -4.61 114.28 103.84 1kbw n THR 111 Ca 0.01 -1.16 -0.43 0.00 -2.27 0.00 0.00 64.05 60.21 1kbw n THR 111 Cb 0.29 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.35 1.37 -0.15 4.78 5.36 -1.04 -4.14 117.98 122.80 1kbw s PHE 112 Ca 0.30 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1kbw s PHE 112 Cb 0.18 -3.99 0.03 0.00 -0.34 0.00 0.00 43.02 38.90 1kbw s PHE 112 CO 0.16 -3.68 -0.11 0.99 -1.46 0.00 0.00 175.22 171.13 1kbw s THR 113 N 7.93 1.40 0.80 0.12 2.01 0.14 -4.95 115.64 123.10 1kbw s THR 113 Ca 0.94 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1kbw s THR 113 Cb -0.29 -1.40 0.07 0.00 0.01 0.00 0.00 72.50 70.89 1kbw s THR 113 CO 0.34 0.33 1.09 0.00 -0.69 0.00 0.00 174.62 175.69 1kbw s ALA 114 N 1.54 2.13 0.48 7.40 0.00 -1.26 -1.88 121.76 130.16 1kbw s ALA 114 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 1kbw s ALA 114 Cb -0.14 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1kbw s ALA 114 CO -0.09 -1.82 1.26 -2.30 0.00 0.00 0.00 175.76 172.80 1kbw n PRO 115 N -3.53 1.75 -0.91 0.00 -0.02 -1.26 -2.18 135.00 128.86 1kbw n PRO 115 Ca 0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1kbw n PRO 115 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.85 0.47 3.63 -1.23 0.00 0.72 -4.85 105.19 104.78 1kbw n GLY 116 Ca 0.08 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 -0.57 2.18 -0.04 1.61 3.52 -0.93 -4.88 118.95 119.84 1kbw s ARG 117 Ca 0.00 -1.57 0.04 0.00 -0.13 0.00 0.00 55.73 54.06 1kbw s ARG 117 Cb 0.00 -2.05 -0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1kbw s ARG 117 CO 0.00 0.26 -0.14 0.99 -0.81 0.00 0.00 175.30 175.60 1kbw s THR 118 N -2.42 1.17 0.19 4.11 2.01 -1.26 -1.59 115.64 117.85 1kbw s THR 118 Ca 0.33 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.86 1kbw s THR 118 Cb -0.04 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1kbw s THR 118 CO 0.20 0.35 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.88 1kbw s SER 119 N 0.11 3.92 0.00 3.53 0.01 0.28 -4.96 113.70 116.58 1kbw s SER 119 Ca -0.04 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1kbw s SER 119 Cb -0.10 -0.53 -0.00 0.00 0.21 0.00 0.00 66.02 65.59 1kbw s SER 119 CO 0.01 0.11 -0.03 -0.89 0.41 0.00 0.00 173.24 172.85 1kbw s THR 120 N -1.71 0.27 0.02 1.44 2.01 -1.26 0.49 115.64 116.89 1kbw s THR 120 Ca 0.23 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1kbw s THR 120 Cb -0.08 -0.24 0.10 0.00 0.01 0.00 0.00 72.50 72.28 1kbw s THR 120 CO 0.13 0.04 0.88 0.72 -0.69 0.00 0.00 174.62 175.70 1kbw s PHE 121 N -0.17 -0.33 0.05 4.92 -0.12 -0.84 -4.96 117.98 116.53 1kbw s PHE 121 Ca 0.00 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 1kbw s PHE 121 Cb -0.02 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1kbw s PHE 121 CO -0.00 -0.58 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.99 1kbw s SER 122 N -2.54 0.69 0.03 1.98 1.04 -1.26 -0.32 113.70 113.32 1kbw s SER 122 Ca 0.06 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 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 -0.32 0.15 0.72 0.98 0.00 0.00 173.24 174.69 1kbw s PHE 123 N -2.04 0.11 -0.21 5.02 -0.12 -0.76 -4.97 117.98 115.00 1kbw s PHE 123 Ca -0.06 -0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 56.35 1kbw s PHE 123 Cb -0.06 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1kbw s PHE 123 CO -0.02 -0.38 0.30 0.21 -0.05 0.00 0.00 175.22 175.28 1kbw s LYS 124 N -2.36 4.14 -1.09 1.99 2.20 -1.26 -0.09 119.74 123.27 1kbw s LYS 124 Ca -0.07 0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 1kbw s LYS 124 Cb -0.02 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1kbw s LYS 124 CO -0.03 0.02 1.72 0.00 -0.36 0.00 0.00 175.35 176.71 1kbw s ALA 125 N 1.14 2.46 0.25 3.13 0.00 0.10 -4.63 121.76 124.21 1kbw s ALA 125 Ca 0.14 -2.23 0.01 0.00 0.00 0.00 0.00 51.96 49.89 1kbw s ALA 125 Cb -0.14 -4.59 0.31 0.00 0.00 0.00 0.00 23.12 18.70 1kbw s ALA 125 CO 0.06 -4.10 1.64 -0.07 0.00 0.00 0.00 175.76 173.30 1kbw h LEU 126 N 14.77 0.48 -8.28 0.00 3.38 -1.86 0.25 115.31 124.05 1kbw h LEU 126 Ca 0.24 -0.20 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 1kbw h LEU 126 Cb 0.96 -0.13 -0.31 0.00 0.09 0.00 0.00 40.66 41.27 1kbw h LEU 126 CO 1.35 0.82 -0.85 -1.10 0.09 0.00 0.00 178.44 178.75 1kbw s GLN 127 N -4.24 1.94 0.70 1.13 -0.21 -1.26 -4.63 119.66 113.09 1kbw s GLN 127 Ca -0.06 -0.67 -0.13 0.00 0.02 0.00 0.00 55.36 54.52 1kbw s GLN 127 Cb 0.13 -1.67 0.02 0.00 1.00 0.00 0.00 33.01 32.49 1kbw s GLN 127 CO 0.80 0.27 1.11 -1.25 -2.12 0.00 0.00 175.29 174.10 1kbw s PRO 128 N 0.01 2.56 0.00 2.91 0.04 -1.26 -4.83 135.00 134.43 1kbw s PRO 128 Ca -0.04 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1kbw s PRO 128 Cb -0.12 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1kbw s PRO 128 CO 0.03 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1kbw n GLY 129 N -0.70 1.19 3.26 0.56 0.00 0.68 -4.96 105.19 105.22 1kbw n GLY 129 Ca 0.10 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 4.67 -0.01 0.99 2.96 -1.24 -0.51 118.68 125.55 1kbw s LEU 130 Ca 0.00 -1.33 0.03 0.00 -0.22 0.00 0.00 54.13 52.61 1kbw s LEU 130 Cb 0.00 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1kbw s LEU 130 CO 0.00 -0.41 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.23 1kbw s TYR 131 N 1.39 2.86 0.27 5.38 1.51 -0.17 -4.66 117.35 123.93 1kbw s TYR 131 Ca 0.01 -0.05 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 1kbw s TYR 131 Cb -0.21 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 1kbw s TYR 131 CO 0.02 0.34 0.72 -1.50 -1.11 0.00 0.00 175.55 174.03 1kbw s ILE 132 N -0.94 4.63 0.03 2.71 1.10 -1.26 0.30 121.20 127.78 1kbw s ILE 132 Ca 0.16 1.10 0.04 0.00 -0.51 0.00 0.00 60.65 61.43 1kbw s ILE 132 Cb -0.11 -3.73 -0.02 0.00 0.15 0.00 0.00 42.46 38.75 1kbw s ILE 132 CO 0.06 0.01 -0.11 -0.72 -2.11 0.00 0.00 174.94 172.06 1kbw s TYR 133 N -1.76 0.96 0.25 3.50 -0.85 0.66 -1.27 117.35 118.83 1kbw s TYR 133 Ca 0.49 -0.33 -0.20 0.00 -0.52 0.00 0.00 57.07 56.51 1kbw s TYR 133 Cb -0.13 -0.58 0.03 0.00 0.38 0.00 0.00 41.96 41.65 1kbw s TYR 133 CO 0.19 -0.00 0.64 -3.38 -1.52 0.00 0.00 175.55 171.48 1kbw s HIS 134 N -0.80 -0.16 0.33 -3.49 -3.43 -0.50 -0.65 115.29 106.58 1kbw s HIS 134 Ca -0.01 -0.23 -0.27 0.00 -0.80 0.00 0.00 55.06 53.75 1kbw s HIS 134 Cb -0.07 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.56 1kbw s HIS 134 CO 0.01 -1.10 1.02 0.00 -2.00 0.00 0.00 174.74 172.67 1kbw n ALA 136 N 0.65 3.67 -2.50 0.00 0.00 -1.26 -4.53 120.51 116.55 1kbw n ALA 136 Ca 0.02 -3.20 -0.38 0.00 0.00 0.00 0.00 53.44 49.88 1kbw n ALA 136 Cb 0.48 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 -3.83 5.02 0.20 0.00 1.01 -1.26 -4.82 120.40 116.72 1kbw s VAL 137 Ca 0.38 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1kbw s VAL 137 Cb 0.37 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1kbw s VAL 137 CO -0.02 0.58 1.34 0.00 0.00 0.00 0.00 175.10 177.00 1kbw s ALA 138 N -1.06 3.55 -0.27 5.51 0.00 -1.26 -1.91 121.76 126.34 1kbw s ALA 138 Ca 0.24 1.15 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 1kbw s ALA 138 Cb -0.17 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1kbw s ALA 138 CO 0.14 -0.58 1.02 -1.25 0.00 0.00 0.00 175.76 175.09 1kbw s PRO 139 N -0.05 4.17 0.27 0.00 0.04 -1.26 -5.04 135.00 133.13 1kbw s PRO 139 Ca 0.58 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1kbw s PRO 139 Cb -0.38 -3.68 0.62 0.00 0.04 0.00 0.00 34.50 31.11 1kbw s PRO 139 CO 0.38 -0.72 1.70 0.28 0.04 0.00 0.00 177.00 178.68 1kbw h VAL 140 N 5.55 0.50 -0.61 -0.36 2.07 -1.70 -1.52 116.25 120.20 1kbw h VAL 140 Ca -0.20 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1kbw h VAL 140 Cb 1.06 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1kbw h VAL 140 CO 0.99 0.07 0.27 1.23 0.02 0.00 0.00 177.57 180.14 1kbw h GLY 141 N 0.37 0.93 1.01 2.17 0.00 -1.93 -2.20 103.07 103.42 1kbw h GLY 141 Ca 0.50 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1kbw h GLY 141 CO -0.51 0.43 -0.33 1.98 0.00 0.00 0.00 176.54 178.11 1kbw h MET 142 N 0.86 0.75 -0.69 4.80 -1.53 -1.64 0.12 114.93 117.62 1kbw h MET 142 Ca 0.21 -0.41 -0.03 0.00 -3.44 0.00 0.00 59.70 56.03 1kbw h MET 142 Cb 0.13 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 1kbw h MET 142 CO -0.02 1.03 0.32 0.45 0.14 0.00 0.00 176.91 178.82 1kbw h HIS 143 N 0.51 0.98 -0.05 1.39 3.86 -1.29 -1.22 115.15 119.33 1kbw h HIS 143 Ca 0.04 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1kbw h HIS 143 Cb 0.91 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1kbw h HIS 143 CO 0.07 0.72 -0.21 0.82 0.86 0.00 0.00 177.93 180.19 1kbw h ILE 144 N 0.97 1.46 -0.70 2.45 2.04 -1.31 -3.03 117.51 119.39 1kbw h ILE 144 Ca 0.24 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.57 1kbw h ILE 144 Cb 0.12 2.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1kbw h ILE 144 CO -0.03 0.46 0.47 0.00 0.00 0.00 0.00 178.15 179.05 1kbw h ALA 145 N 0.40 2.07 0.00 1.87 0.00 -0.52 -0.24 119.26 122.84 1kbw h ALA 145 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kbw h ALA 145 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1kbw h ALA 145 CO 0.04 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.14 1kbw n ASN 146 N -4.47 0.00 0.00 0.00 3.02 -0.48 -4.80 115.26 108.52 1kbw n ASN 146 Ca 0.13 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1kbw n ASN 146 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.58 1.04 3.17 7.41 0.00 -0.11 -1.19 105.19 116.08 1kbw n GLY 147 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.31 3.19 -3.63 1.61 2.81 -1.11 -4.69 117.12 114.00 1kbw n MET 148 Ca 0.00 -3.21 -0.15 0.00 -1.81 0.00 0.00 57.70 52.53 1kbw n MET 148 Cb 0.00 -3.25 -0.07 0.00 -0.71 0.00 0.00 33.22 29.18 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 2.77 -0.58 0.34 2.03 -0.85 -1.26 -2.00 117.35 117.80 1kbw s TYR 149 Ca 0.47 1.21 -0.06 0.00 -0.52 0.00 0.00 57.07 58.17 1kbw s TYR 149 Cb 0.07 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.71 1kbw s TYR 149 CO -0.00 -0.44 0.55 0.41 -1.52 0.00 0.00 175.55 174.55 1kbw n GLY 150 N 1.81 1.80 3.34 5.49 0.00 0.17 -1.84 105.19 115.96 1kbw n GLY 150 Ca -0.17 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 2.17 -0.17 0.99 1.43 -1.26 -0.25 118.68 121.59 1kbw s LEU 151 Ca 0.23 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1kbw s LEU 151 Cb -0.02 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1kbw s LEU 151 CO 0.17 0.32 -0.20 -0.51 0.23 0.00 0.00 176.35 176.36 1kbw s ILE 152 N -0.65 2.00 -0.24 -0.59 2.07 0.15 -2.07 121.20 121.87 1kbw s ILE 152 Ca 0.10 -0.91 -0.15 0.00 -1.41 0.00 0.00 60.65 58.29 1kbw s ILE 152 Cb -0.10 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.64 1kbw s ILE 152 CO -0.00 0.53 0.36 -0.22 -1.91 0.00 0.00 174.94 173.70 1kbw s LEU 153 N 1.25 4.09 -0.43 8.50 2.96 0.20 -1.00 118.68 134.25 1kbw s LEU 153 Ca 0.03 0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1kbw s LEU 153 Cb -0.13 -2.42 0.11 0.00 0.50 0.00 0.00 46.19 44.24 1kbw s LEU 153 CO -0.11 -0.12 0.27 -0.69 -1.32 0.00 0.00 176.35 174.38 1kbw s VAL 154 N 1.67 3.86 0.48 1.68 1.01 0.34 -1.20 120.40 128.25 1kbw s VAL 154 Ca 0.16 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 1kbw s VAL 154 Cb -0.15 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1kbw s VAL 154 CO 0.09 -0.68 1.15 -1.61 0.00 0.00 0.00 175.10 174.04 1kbw s GLU 155 N 1.29 3.67 0.73 2.72 2.02 0.16 -0.23 118.70 129.06 1kbw s GLU 155 Ca 0.06 1.70 -0.12 0.00 0.02 0.00 0.00 54.97 56.63 1kbw s GLU 155 Cb -0.24 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.73 1kbw s GLU 155 CO -0.01 -0.61 1.10 -2.14 0.02 0.00 0.00 175.26 173.61 1kbw s PRO 156 N -2.87 2.46 0.23 0.39 0.02 -1.26 -0.09 135.00 133.88 1kbw s PRO 156 Ca 0.66 1.26 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 1kbw s PRO 156 Cb -0.27 -1.92 0.31 0.00 0.02 0.00 0.00 34.50 32.64 1kbw s PRO 156 CO 0.32 -1.50 1.61 0.87 -0.33 0.00 0.00 177.00 177.96 1kbw h LYS 157 N -0.68 0.00 0.00 5.54 1.79 -1.96 0.38 116.57 121.64 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 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1kbw h LYS 157 CO 0.52 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.28 1kbw n GLU 158 N -5.49 0.02 0.00 3.15 4.71 -1.26 -4.95 120.64 116.82 1kbw n GLU 158 Ca 0.10 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 1kbw n GLU 158 Cb 0.38 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.18 -1.82 3.92 0.62 0.00 0.13 -4.96 105.19 103.27 1kbw n GLY 159 Ca 0.04 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.72 4.31 0.52 0.99 1.43 -1.26 -4.70 118.68 115.25 1kbw s LEU 160 Ca 0.00 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 1kbw s LEU 160 Cb 0.00 -3.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 1kbw s LEU 160 CO 0.00 0.07 1.01 -2.65 0.23 0.00 0.00 176.35 175.01 1kbw n PRO 161 N -0.18 1.17 -2.02 1.29 -0.02 -1.26 -4.92 135.00 129.06 1kbw n PRO 161 Ca -0.05 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 1kbw n PRO 161 Cb 0.53 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.44 3.43 0.03 -0.52 -0.14 -1.26 -5.03 119.74 113.81 1kbw s LYS 162 Ca 0.70 2.00 -0.03 0.00 -1.36 0.00 0.00 55.97 57.28 1kbw s LYS 162 Cb -0.47 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.34 1kbw s LYS 162 CO 0.52 -0.88 0.03 0.08 -0.76 0.00 0.00 175.35 174.33 1kbw s VAL 163 N -1.43 0.13 -0.01 3.17 1.01 -1.26 -5.08 120.40 116.93 1kbw s VAL 163 Ca 0.68 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1kbw s VAL 163 Cb -0.34 -0.67 -0.19 0.00 0.00 0.00 0.00 36.38 35.17 1kbw s VAL 163 CO 0.41 -0.60 1.25 0.44 0.00 0.00 0.00 175.10 176.60 1kbw h ASP 164 N 4.07 0.14 -4.26 3.32 3.32 -1.78 -3.46 116.42 117.77 1kbw h ASP 164 Ca -0.32 -0.53 -0.40 0.00 0.02 0.00 0.00 57.03 55.80 1kbw h ASP 164 Cb 1.19 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 1kbw h ASP 164 CO 0.48 0.64 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.32 1kbw s LYS 165 N -4.09 0.79 -0.05 3.56 1.02 -0.95 -5.00 119.74 115.02 1kbw s LYS 165 Ca -0.15 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1kbw s LYS 165 Cb 0.02 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1kbw s LYS 165 CO 0.70 0.19 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.95 1kbw s GLU 166 N -0.81 1.79 0.05 1.68 2.02 -1.26 -0.44 118.70 121.74 1kbw s GLU 166 Ca 0.01 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.50 1kbw s GLU 166 Cb -0.06 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 1kbw s GLU 166 CO 0.00 0.19 -0.19 -0.06 0.02 0.00 0.00 175.26 175.23 1kbw s PHE 167 N 0.19 1.62 -0.39 1.61 0.40 -0.38 -4.34 117.98 116.69 1kbw s PHE 167 Ca -0.07 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 1kbw s PHE 167 Cb -0.13 -0.95 0.06 0.00 0.51 0.00 0.00 43.02 42.51 1kbw s PHE 167 CO 0.03 0.09 0.21 -0.47 0.70 0.00 0.00 175.22 175.77 1kbw s TYR 168 N -0.87 3.30 -0.09 0.36 5.04 0.96 -0.41 117.35 125.64 1kbw s TYR 168 Ca 0.05 -1.36 0.02 0.00 -2.44 0.00 0.00 57.07 53.34 1kbw s TYR 168 Cb -0.09 -2.65 0.01 0.00 0.35 0.00 0.00 41.96 39.58 1kbw s TYR 168 CO 0.02 -0.77 -0.15 0.42 -1.34 0.00 0.00 175.55 173.73 1kbw s ILE 169 N 1.45 1.42 -0.08 3.14 1.09 -0.53 -3.71 121.20 123.98 1kbw s ILE 169 Ca 0.02 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1kbw s ILE 169 Cb -0.21 -1.28 0.02 0.00 -1.06 0.00 0.00 42.46 39.93 1kbw s ILE 169 CO 0.03 0.42 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.54 1kbw s VAL 170 N 0.75 0.78 0.23 2.92 1.01 -1.26 -0.13 120.40 124.70 1kbw s VAL 170 Ca -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1kbw s VAL 170 Cb -0.16 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1kbw s VAL 170 CO 0.03 0.30 0.49 -1.58 0.00 0.00 0.00 175.10 174.33 1kbw s GLN 171 N 1.33 3.64 -0.03 2.72 0.74 -0.30 -0.54 119.66 127.22 1kbw s GLN 171 Ca -0.03 -0.03 -0.27 0.00 0.05 0.00 0.00 55.36 55.07 1kbw s GLN 171 Cb -0.14 -2.72 0.06 0.00 1.10 0.00 0.00 33.01 31.31 1kbw s GLN 171 CO -0.03 0.32 0.61 0.20 -0.55 0.00 0.00 175.29 175.84 1kbw s GLY 172 N -2.87 -0.51 -0.13 2.59 0.00 -0.55 -0.55 107.32 105.31 1kbw s GLY 172 Ca 0.43 1.07 -0.03 0.00 0.00 0.00 0.00 44.72 46.19 1kbw s GLY 172 CO 0.27 0.74 -0.02 0.51 0.00 0.00 0.00 173.10 174.60 1kbw s ASP 173 N -1.36 4.94 -0.05 1.64 1.47 0.64 -1.53 116.67 122.42 1kbw s ASP 173 Ca -0.10 -0.04 0.04 0.00 1.18 0.00 0.00 52.55 53.62 1kbw s ASP 173 Cb -0.01 -1.66 -0.02 0.00 -0.34 0.00 0.00 42.92 40.89 1kbw s ASP 173 CO 0.07 0.24 -0.16 -0.36 0.68 0.00 0.00 175.17 175.64 1kbw s PHE 174 N -0.03 2.66 -0.35 2.11 0.08 0.18 -4.23 117.98 118.39 1kbw s PHE 174 Ca 0.02 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 1kbw s PHE 174 Cb -0.13 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.75 1kbw s PHE 174 CO 0.02 0.12 0.12 0.71 -0.10 0.00 0.00 175.22 176.09 1kbw s TYR 175 N -0.62 3.33 -0.05 0.36 1.51 -1.26 -1.17 117.35 119.45 1kbw s TYR 175 Ca 0.09 -1.73 -0.02 0.00 -1.01 0.00 0.00 57.07 54.39 1kbw s TYR 175 Cb -0.11 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1kbw s TYR 175 CO 0.01 -0.81 0.08 0.99 -1.11 0.00 0.00 175.55 174.71 1kbw s THR 176 N 1.32 4.84 0.08 -0.71 2.01 -1.26 -1.30 115.64 120.62 1kbw s THR 176 Ca -0.00 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 1kbw s THR 176 Cb -0.21 -3.15 -0.15 0.00 0.01 0.00 0.00 72.50 69.01 1kbw s THR 176 CO 0.00 0.48 1.68 0.50 -0.69 0.00 0.00 174.62 176.59 1kbw h LYS 177 N 4.57 0.02 -7.58 4.92 3.64 -1.58 -3.43 116.57 117.13 1kbw h LYS 177 Ca -0.51 -0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.39 1kbw h LYS 177 Cb 1.20 -0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.11 1kbw h LYS 177 CO 0.60 0.08 0.40 0.20 -2.27 0.00 0.00 179.45 178.46 1kbw s GLY 178 N -2.34 1.60 0.59 5.01 0.00 -1.26 -5.05 107.32 105.88 1kbw s GLY 178 Ca -0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 1kbw s GLY 178 CO 0.66 -0.10 0.91 0.54 0.00 0.00 0.00 173.10 175.11 1kbw s LYS 179 N -5.51 2.92 -0.27 2.90 1.02 -1.26 -4.89 119.74 114.65 1kbw s LYS 179 Ca 0.61 0.01 -0.42 0.00 0.02 0.00 0.00 55.97 56.19 1kbw s LYS 179 Cb -0.11 -2.26 -0.18 0.00 -0.52 0.00 0.00 37.83 34.75 1kbw s LYS 179 CO 0.50 -0.71 1.52 1.17 -0.92 0.00 0.00 175.35 176.91 1kbw n LYS 180 N -2.60 0.50 0.00 1.68 0.00 -1.26 -0.69 118.16 115.79 1kbw n LYS 180 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1kbw n LYS 180 Cb 0.58 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.85 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 3.45 2.65 3.68 3.14 0.00 -1.26 -5.04 105.19 111.82 1kbw n GLY 181 Ca 0.26 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.46 0.69 -1.52 4.61 0.00 0.13 -4.91 120.51 119.05 1kbw n ALA 182 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1kbw n ALA 182 Cb 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.07 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 3.52 2.81 0.01 0.00 -1.52 -1.26 -4.73 119.66 118.49 1kbw s GLN 183 Ca 0.92 1.42 0.00 0.00 -1.95 0.00 0.00 55.36 55.75 1kbw s GLN 183 Cb -0.76 -1.95 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 1kbw s GLN 183 CO 0.52 -1.25 0.00 0.41 -0.25 0.00 0.00 175.29 174.73 1kbw n GLY 184 N -0.44 -3.40 3.63 3.09 0.00 -0.20 -4.88 105.19 103.00 1kbw n GLY 184 Ca 0.11 -2.08 -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 3.88 -0.26 0.99 2.96 -1.26 -1.18 118.68 123.81 1kbw s LEU 185 Ca 0.00 1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.97 1kbw s LEU 185 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1kbw s LEU 185 CO 0.00 -1.05 0.18 -1.10 -1.32 0.00 0.00 176.35 173.05 1kbw s GLN 186 N 4.09 4.00 0.74 1.98 -1.52 0.05 -4.94 119.66 124.05 1kbw s GLN 186 Ca 0.54 -0.30 -0.11 0.00 -1.95 0.00 0.00 55.36 53.54 1kbw s GLN 186 Cb -0.16 -3.61 0.03 0.00 -0.22 0.00 0.00 33.01 29.06 1kbw s GLN 186 CO 0.22 -0.08 1.07 -2.14 -0.25 0.00 0.00 175.29 174.12 1kbw s PRO 187 N 1.47 2.56 0.33 2.91 0.02 -1.26 -4.45 135.00 136.57 1kbw s PRO 187 Ca 0.07 0.87 -0.28 0.00 0.02 0.00 0.00 61.00 61.68 1kbw s PRO 187 Cb -0.15 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 1kbw s PRO 187 CO 0.08 -1.34 1.21 0.12 -0.33 0.00 0.00 177.00 176.74 1kbw s PHE 188 N -3.07 3.22 -0.37 6.54 5.36 -1.26 -1.60 117.98 126.80 1kbw s PHE 188 Ca 0.59 1.53 -0.00 0.00 -0.96 0.00 0.00 56.93 58.09 1kbw s PHE 188 Cb -0.14 -3.50 0.10 0.00 -0.34 0.00 0.00 43.02 39.14 1kbw s PHE 188 CO 0.55 -1.33 0.13 0.34 -1.46 0.00 0.00 175.22 173.44 1kbw s ASP 189 N -0.74 5.05 0.24 6.13 -1.08 -0.42 -4.70 116.67 121.16 1kbw s ASP 189 Ca 0.49 -2.00 -0.05 0.00 -0.52 0.00 0.00 52.55 50.47 1kbw s ASP 189 Cb -0.36 -1.75 0.38 0.00 -1.46 0.00 0.00 42.92 39.74 1kbw s ASP 189 CO 0.46 -0.46 1.82 -0.03 0.52 0.00 0.00 175.17 177.48 1kbw h MET 190 N 7.89 0.78 -0.88 4.34 1.85 -1.94 -2.32 114.93 124.65 1kbw h MET 190 Ca -0.11 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 1kbw h MET 190 Cb 1.04 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.85 1kbw h MET 190 CO 0.62 0.52 0.47 -0.44 -0.40 0.00 0.00 176.91 177.68 1kbw h ASP 191 N 0.81 1.11 0.26 1.39 3.32 -2.00 -0.93 116.42 120.39 1kbw h ASP 191 Ca 0.39 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 1kbw h ASP 191 Cb 0.33 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1kbw h ASP 191 CO -0.23 0.90 -0.54 0.11 -1.72 0.00 0.00 179.24 177.75 1kbw h LYS 192 N 1.23 0.30 -0.15 3.56 1.57 -1.81 -2.13 116.57 119.15 1kbw h LYS 192 Ca 0.31 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1kbw h LYS 192 Cb 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1kbw h LYS 192 CO -0.05 0.77 0.08 0.00 -0.57 0.00 0.00 179.45 179.68 1kbw h ALA 193 N 1.19 0.19 -0.40 3.86 0.00 -0.86 -0.26 119.26 122.98 1kbw h ALA 193 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1kbw h ALA 193 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1kbw h ALA 193 CO 0.09 -0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.34 1kbw h VAL 194 N 0.13 1.23 -0.00 0.00 2.07 -1.12 -2.13 116.25 116.42 1kbw h VAL 194 Ca 0.05 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1kbw h VAL 194 Cb 0.10 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1kbw h VAL 194 CO -0.01 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 1kbw n ALA 195 N -2.48 2.66 -3.58 1.67 0.00 -0.81 -4.92 120.51 113.05 1kbw n ALA 195 Ca 0.02 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1kbw n ALA 195 Cb 0.29 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.67 -6.86 -3.83 0.00 1.02 -0.27 -4.97 120.64 105.06 1kbw n GLU 196 Ca 0.22 0.79 -0.28 0.00 -0.02 0.00 0.00 57.16 57.87 1kbw n GLU 196 Cb 0.19 -5.76 -0.12 0.00 -0.02 0.00 0.00 31.44 25.74 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 -5.94 2.23 0.62 3.49 -0.21 -0.27 -5.02 119.66 114.56 1kbw s GLN 197 Ca 0.30 -3.15 -0.14 0.00 0.02 0.00 0.00 55.36 52.39 1kbw s GLN 197 Cb -0.14 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 1kbw s GLN 197 CO 0.75 -1.30 1.05 -1.25 -2.12 0.00 0.00 175.29 172.42 1kbw s PRO 198 N -1.21 3.26 -0.16 2.91 0.04 -1.26 -4.71 135.00 133.87 1kbw s PRO 198 Ca 0.26 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.45 1kbw s PRO 198 Cb -0.04 -2.03 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1kbw s PRO 198 CO -0.17 -0.84 0.20 0.39 0.04 0.00 0.00 177.00 176.62 1kbw n GLU 199 N -2.42 0.68 -4.81 4.56 -0.58 -0.31 -4.93 120.64 112.83 1kbw n GLU 199 Ca 0.08 0.15 -0.25 0.00 -0.42 0.00 0.00 57.16 56.71 1kbw n GLU 199 Cb 0.53 -1.62 -0.16 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.59 -0.21 -0.32 1.51 -1.02 -4.59 117.35 111.78 1kbw s TYR 200 Ca -0.16 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1kbw s TYR 200 Cb 0.07 -1.05 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 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 -0.17 0.87 0.24 0.71 1.01 -0.59 0.47 120.40 122.94 1kbw s VAL 201 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1kbw s VAL 201 Cb -0.09 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1kbw s VAL 201 CO 0.01 -0.16 0.04 0.68 0.00 0.00 0.00 175.10 175.67 1kbw s VAL 202 N 1.70 0.81 -0.17 2.92 -7.23 -0.58 0.81 120.40 118.66 1kbw s VAL 202 Ca -0.02 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 1kbw s VAL 202 Cb -0.18 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1kbw s VAL 202 CO -0.07 -0.18 0.05 -0.36 -0.31 0.00 0.00 175.10 174.22 1kbw s PHE 203 N -3.57 3.22 -1.20 2.82 0.08 -1.26 -1.48 117.98 116.59 1kbw s PHE 203 Ca 0.32 0.03 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 1kbw s PHE 203 Cb 0.07 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1kbw s PHE 203 CO 0.11 0.15 0.83 0.09 -0.10 0.00 0.00 175.22 176.29 1kbw n ASN 204 N 3.46 -3.13 0.00 1.36 5.03 0.30 -3.94 115.26 118.34 1kbw n ASN 204 Ca -0.17 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.50 1kbw n ASN 204 Cb 0.52 -4.46 0.00 0.00 -1.02 0.00 0.00 39.78 34.83 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 -1.41 0.56 3.13 7.41 0.00 -1.19 -4.64 105.19 109.05 1kbw n GLY 205 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.69 0.24 0.19 1.61 3.76 -1.25 -4.87 115.29 114.27 1kbw s HIS 206 Ca 0.00 -0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 54.01 1kbw s HIS 206 Cb 0.00 -0.16 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 1kbw s HIS 206 CO 0.00 -0.40 1.36 0.08 -0.85 0.00 0.00 174.74 174.93 1kbw s VAL 207 N -3.01 3.11 0.00 -0.90 1.01 0.48 -2.41 120.40 118.68 1kbw s VAL 207 Ca -0.02 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1kbw s VAL 207 Cb 0.01 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1kbw s VAL 207 CO -0.06 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1kbw n GLY 208 N 2.59 0.81 0.42 4.51 0.00 -1.26 -4.81 105.19 107.45 1kbw n GLY 208 Ca 0.07 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.32 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 2.45 -0.11 4.61 0.00 -1.71 -1.23 119.26 123.28 1kbw h ALA 209 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1kbw h ALA 209 Cb 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1kbw h ALA 209 CO 0.00 -0.72 -0.47 1.28 0.00 0.00 0.00 179.25 179.33 1kbw n LEU 210 N -4.42 3.07 -4.38 0.00 4.77 -1.26 -4.76 117.00 110.03 1kbw n LEU 210 Ca 0.19 -3.97 -0.20 0.00 -0.03 0.00 0.00 56.01 52.00 1kbw n LEU 210 Cb 0.79 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1kbw n LEU 210 CO 0.34 1.45 -0.22 -0.89 -1.33 0.00 0.00 177.39 176.74 1kbw s THR 211 N -3.36 0.52 0.00 -5.08 2.01 -0.47 -0.33 115.64 108.94 1kbw s THR 211 Ca 0.40 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1kbw s THR 211 Cb 0.38 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1kbw s THR 211 CO -0.05 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1kbw n GLY 212 N -0.63 3.94 0.28 4.40 0.00 -1.26 -0.46 105.19 111.46 1kbw n GLY 212 Ca -0.01 0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.53 1.61 3.32 -1.97 -2.66 116.42 116.20 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 2.88 -4.71 6.45 3.02 0.40 -4.97 115.26 115.25 1kbw n ASN 214 Ca 0.00 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.17 1kbw n ASN 214 Cb 0.29 -0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.07 1.26 -1.75 5.41 0.00 -1.00 -4.04 120.51 121.45 1kbw n ALA 215 Ca 0.18 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 1kbw n ALA 215 Cb 0.46 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.80 3.74 0.00 0.00 1.43 0.54 -4.83 118.68 116.76 1kbw s LEU 216 Ca 0.70 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.89 1kbw s LEU 216 Cb -0.44 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.20 1kbw s LEU 216 CO 0.51 -1.07 -0.17 -0.54 0.23 0.00 0.00 176.35 175.31 1kbw s LYS 217 N -3.39 1.32 0.20 1.70 1.02 -1.26 0.04 119.74 119.37 1kbw s LYS 217 Ca 0.69 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.91 1kbw s LYS 217 Cb -0.20 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1kbw s LYS 217 CO 0.26 0.35 0.38 0.00 -0.92 0.00 0.00 175.35 175.42 1kbw s ALA 218 N -0.50 -0.15 0.08 5.17 0.00 -0.57 -4.95 121.76 120.84 1kbw s ALA 218 Ca 0.06 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1kbw s ALA 218 Cb -0.07 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1kbw s ALA 218 CO -0.00 -0.74 -0.11 0.15 0.00 0.00 0.00 175.76 175.05 1kbw s LYS 219 N -3.98 2.17 0.24 0.00 1.02 -1.26 -2.19 119.74 115.73 1kbw s LYS 219 Ca 0.19 -0.97 -0.31 0.00 0.02 0.00 0.00 55.97 54.90 1kbw s LYS 219 Cb 0.01 -2.31 -0.14 0.00 -0.52 0.00 0.00 37.83 34.88 1kbw s LYS 219 CO 0.04 0.53 1.33 0.00 -0.92 0.00 0.00 175.35 176.32 1kbw n ALA 220 N 1.01 0.71 0.00 5.17 0.00 0.11 -1.80 120.51 125.71 1kbw n ALA 220 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1kbw n ALA 220 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.95 3.24 3.78 0.00 0.00 0.33 -4.98 105.19 109.51 1kbw n GLY 221 Ca 0.11 0.00 -0.36 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 -0.92 4.08 -0.18 1.61 2.02 -0.75 -4.76 118.70 119.80 1kbw s GLU 222 Ca 0.00 1.51 -0.16 0.00 0.02 0.00 0.00 54.97 56.34 1kbw s GLU 222 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1kbw s GLU 222 CO 0.00 -0.22 0.39 -0.08 0.02 0.00 0.00 175.26 175.37 1kbw s THR 223 N -1.70 5.22 -0.10 3.63 -1.32 -1.26 -1.48 115.64 118.62 1kbw s THR 223 Ca 0.60 0.72 -0.00 0.00 -1.21 0.00 0.00 61.69 61.79 1kbw s THR 223 Cb -0.22 -3.73 -0.03 0.00 -1.51 0.00 0.00 72.50 67.02 1kbw s THR 223 CO 0.27 0.29 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.20 1kbw s VAL 224 N 1.01 3.54 -0.10 5.08 1.01 0.11 -1.94 120.40 129.12 1kbw s VAL 224 Ca 0.20 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1kbw s VAL 224 Cb -0.14 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1kbw s VAL 224 CO 0.07 0.55 -0.21 -0.60 0.00 0.00 0.00 175.10 174.92 1kbw s ARG 225 N -0.21 3.10 -0.15 2.72 3.52 0.42 -1.13 118.95 127.22 1kbw s ARG 225 Ca 0.02 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1kbw s ARG 225 Cb -0.13 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1kbw s ARG 225 CO 0.03 0.21 -0.19 -1.64 -0.81 0.00 0.00 175.30 172.89 1kbw s MET 226 N 0.30 3.09 -0.55 5.12 -1.94 0.63 -1.25 119.30 124.70 1kbw s MET 226 Ca -0.16 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 52.80 1kbw s MET 226 Cb -0.17 -2.51 0.06 0.00 2.01 0.00 0.00 34.83 34.21 1kbw s MET 226 CO 0.08 -0.01 0.77 0.71 -0.01 0.00 0.00 175.02 176.56 1kbw s TYR 227 N 0.84 2.92 -0.28 -0.03 1.51 0.45 -1.99 117.35 120.76 1kbw s TYR 227 Ca -0.06 -0.43 -0.09 0.00 -1.01 0.00 0.00 57.07 55.48 1kbw s TYR 227 Cb -0.15 -3.85 -0.03 0.00 -0.11 0.00 0.00 41.96 37.82 1kbw s TYR 227 CO -0.02 -1.24 0.13 0.08 -1.11 0.00 0.00 175.55 173.39 1kbw s VAL 228 N 3.21 4.63 0.32 0.71 1.01 -0.15 -1.45 120.40 128.69 1kbw s VAL 228 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1kbw s VAL 228 Cb -0.17 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1kbw s VAL 228 CO 0.13 0.22 0.16 -0.83 0.00 0.00 0.00 175.10 174.79 1kbw s GLY 229 N 1.65 1.83 -0.34 4.51 0.00 0.82 -0.79 107.32 115.00 1kbw s GLY 229 Ca 0.06 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 1kbw s GLY 229 CO 0.06 -1.69 0.15 0.21 0.00 0.00 0.00 173.10 171.83 1kbw s ASN 230 N -3.86 3.64 0.39 1.64 3.84 -0.19 -1.15 114.94 119.26 1kbw s ASN 230 Ca 0.37 -1.83 0.28 0.00 0.21 0.00 0.00 52.86 51.89 1kbw s ASN 230 Cb -0.04 -0.68 1.12 0.00 -0.55 0.00 0.00 41.25 41.10 1kbw s ASN 230 CO 0.23 -0.38 1.83 1.23 -2.79 0.00 0.00 177.10 177.23 1kbw h GLY 231 N 7.72 0.00 0.00 1.21 0.00 -1.11 0.10 103.07 110.99 1kbw h GLY 231 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1kbw h GLY 231 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1kbw n GLY 232 N 0.12 0.88 0.28 4.60 0.00 -1.25 -4.48 105.19 105.34 1kbw n GLY 232 Ca 0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 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 0.81 0.00 1.61 0.11 -1.87 0.18 132.00 132.84 1kbw h PRO 233 Ca 0.00 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.80 1kbw h PRO 233 Cb 0.00 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 30.88 1kbw h PRO 233 CO 0.00 0.53 -2.00 0.09 -0.21 0.00 0.00 178.00 176.42 1kbw n ASN 234 N -4.69 2.08 -4.79 -2.05 3.02 -1.26 -4.80 115.26 102.77 1kbw n ASN 234 Ca 0.09 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 1kbw n ASN 234 Cb 0.13 0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 -5.56 3.23 -0.12 3.41 1.43 -1.26 -4.86 118.68 114.95 1kbw s LEU 235 Ca -0.16 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1kbw s LEU 235 Cb 0.05 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 1kbw s LEU 235 CO 0.49 -1.62 -0.18 -0.69 0.23 0.00 0.00 176.35 174.58 1kbw s VAL 236 N -2.72 2.57 -0.06 -1.59 1.01 -1.26 -4.06 120.40 114.28 1kbw s VAL 236 Ca 0.62 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1kbw s VAL 236 Cb -0.17 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1kbw s VAL 236 CO 0.49 0.54 0.30 -0.55 0.00 0.00 0.00 175.10 175.88 1kbw s SER 237 N 0.44 6.62 -0.98 3.32 0.15 -0.76 -4.91 113.70 117.59 1kbw s SER 237 Ca -0.13 0.74 -0.02 0.00 0.70 0.00 0.00 55.95 57.24 1kbw s SER 237 Cb -0.17 -2.18 0.28 0.00 -1.71 0.00 0.00 66.02 62.25 1kbw s SER 237 CO 0.06 0.33 1.22 -1.20 1.20 0.00 0.00 173.24 174.85 1kbw n SER 238 N 2.08 5.57 -4.71 5.45 7.64 -1.26 0.15 113.62 128.54 1kbw n SER 238 Ca -0.16 -3.35 -0.43 0.00 1.01 0.00 0.00 58.87 55.94 1kbw n SER 238 Cb 0.53 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 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 2.62 -3.67 1.43 7.35 0.75 -0.27 117.46 127.14 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 -2.59 -0.08 0.00 0.35 0.00 0.00 39.48 37.52 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 0.52 -0.41 -0.26 -5.13 5.65 -0.79 -1.68 115.29 113.19 1kbw s HIS 240 Ca 0.71 0.76 0.01 0.00 0.25 0.00 0.00 55.06 56.79 1kbw s HIS 240 Cb -0.55 0.22 0.05 0.00 -1.18 0.00 0.00 32.58 31.11 1kbw s HIS 240 CO 0.42 -0.44 -0.08 0.08 -0.65 0.00 0.00 174.74 174.07 1kbw s VAL 241 N -0.97 2.49 0.09 0.89 1.01 -1.26 -0.75 120.40 121.89 1kbw s VAL 241 Ca -0.10 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.16 1kbw s VAL 241 Cb -0.03 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 1kbw s VAL 241 CO 0.05 0.04 1.73 -0.63 0.00 0.00 0.00 175.10 176.29 1kbw s ILE 242 N 1.19 2.87 0.00 2.22 1.01 -0.10 -2.05 121.20 126.34 1kbw s ILE 242 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1kbw s ILE 242 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1kbw s ILE 242 CO -0.05 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1kbw n GLY 243 N 4.10 0.35 3.27 6.18 0.00 -1.26 -3.39 105.19 114.44 1kbw n GLY 243 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.93 1.43 0.02 1.61 2.56 -0.87 -5.08 118.70 117.44 1kbw s GLU 244 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 54.97 53.21 1kbw s GLU 244 Cb 0.00 0.07 -0.01 0.00 2.00 0.00 0.00 34.13 36.18 1kbw s GLU 244 CO 0.00 -0.43 -0.11 0.42 -0.56 0.00 0.00 175.26 174.59 1kbw s ILE 245 N -3.83 0.84 -0.31 -3.70 1.01 -1.26 -4.68 121.20 109.27 1kbw s ILE 245 Ca 0.38 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1kbw s ILE 245 Cb 0.06 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1kbw s ILE 245 CO 0.16 0.05 1.21 -0.36 0.00 0.00 0.00 174.94 176.00 1kbw s PHE 246 N -0.60 2.87 0.12 3.97 2.99 -0.56 -4.71 117.98 122.05 1kbw s PHE 246 Ca 0.01 0.98 -0.13 0.00 0.00 0.00 0.00 56.93 57.79 1kbw s PHE 246 Cb -0.06 -3.85 -0.05 0.00 0.00 0.00 0.00 43.02 39.06 1kbw s PHE 246 CO 0.00 -1.34 1.48 -0.44 -0.00 0.00 0.00 175.22 174.92 1kbw h ASP 247 N 8.81 0.86 -4.27 1.36 3.32 -1.11 -0.90 116.42 124.48 1kbw h ASP 247 Ca -0.24 -0.43 -0.22 0.00 0.02 0.00 0.00 57.03 56.16 1kbw h ASP 247 Cb 1.08 -0.24 -0.25 0.00 0.22 0.00 0.00 39.33 40.14 1kbw h ASP 247 CO 1.04 1.11 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.41 1kbw s LYS 248 N -4.52 0.19 -0.08 3.56 1.02 -0.76 -3.26 119.74 115.89 1kbw s LYS 248 Ca -0.12 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 1kbw s LYS 248 Cb 0.10 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1kbw s LYS 248 CO 0.84 -0.00 0.01 0.08 -0.92 0.00 0.00 175.35 175.36 1kbw s VAL 249 N -0.63 0.32 -0.77 3.17 1.01 -0.01 -1.17 120.40 122.31 1kbw s VAL 249 Ca -0.06 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1kbw s VAL 249 Cb -0.04 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.87 1kbw s VAL 249 CO -0.00 0.21 1.17 -0.31 0.00 0.00 0.00 175.10 176.17 1kbw s TYR 250 N 1.99 2.55 -0.28 5.22 1.51 0.63 -0.37 117.35 128.60 1kbw s TYR 250 Ca 0.05 -0.50 -0.39 0.00 -1.01 0.00 0.00 57.07 55.21 1kbw s TYR 250 Cb -0.13 -4.48 -0.15 0.00 -0.11 0.00 0.00 41.96 37.09 1kbw s TYR 250 CO -0.05 -1.84 1.80 0.28 -1.11 0.00 0.00 175.55 174.63 1kbw n VAL 251 N 6.19 0.32 -1.60 0.71 0.31 -0.14 -0.91 118.33 123.21 1kbw n VAL 251 Ca 0.07 -0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1kbw n VAL 251 Cb 0.48 -1.30 -0.06 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 -1.44 -0.79 5.55 1.02 -1.25 -1.45 120.64 128.04 1kbw n GLU 252 Ca 0.28 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 1kbw n GLU 252 Cb 0.15 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 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 -0.39 0.92 0.00 0.62 0.00 -0.08 -4.30 105.19 101.96 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 -2.00 0.09 0.12 -0.02 0.00 -0.53 -3.63 105.19 99.23 1kbw n GLY 254 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 0.03 -6.64 1.61 3.64 -1.93 -3.41 116.57 109.88 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 0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1kbw h LYS 255 CO 0.00 0.74 0.92 -1.17 -2.27 0.00 0.00 179.45 177.67 1kbw s LEU 256 N -7.42 4.37 -0.15 5.20 2.96 -1.26 -4.93 118.68 117.45 1kbw s LEU 256 Ca -0.01 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.62 1kbw s LEU 256 Cb 0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1kbw s LEU 256 CO 0.78 -0.87 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.15 1kbw s ILE 257 N 1.06 2.56 0.28 6.68 1.01 -1.26 -0.97 121.20 130.56 1kbw s ILE 257 Ca 0.71 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1kbw s ILE 257 Cb -0.46 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1kbw s ILE 257 CO 0.33 0.52 0.20 0.21 0.00 0.00 0.00 174.94 176.20 1kbw s ASN 258 N 0.82 5.34 0.04 3.58 3.04 0.50 -4.91 114.94 123.35 1kbw s ASN 258 Ca -0.05 -0.37 0.02 0.00 0.04 0.00 0.00 52.86 52.49 1kbw s ASN 258 Cb -0.15 -1.21 -0.02 0.00 -1.54 0.00 0.00 41.25 38.32 1kbw s ASN 258 CO -0.01 -0.13 -0.07 -1.61 -3.04 0.00 0.00 177.10 172.24 1kbw s GLU 259 N -3.87 0.50 -1.13 0.43 2.02 -1.26 -0.83 118.70 114.56 1kbw s GLU 259 Ca 0.35 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 1kbw s GLU 259 Cb -0.07 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1kbw s GLU 259 CO 0.25 0.03 0.95 0.09 0.02 0.00 0.00 175.26 176.60 1kbw n ASN 260 N 1.43 -4.41 -4.47 -0.19 5.03 -0.39 -5.00 115.26 107.26 1kbw n ASN 260 Ca -0.23 -0.68 -0.33 0.00 0.87 0.00 0.00 54.58 54.21 1kbw n ASN 260 Cb 0.55 -5.12 -0.13 0.00 -1.02 0.00 0.00 39.78 34.06 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 -3.38 3.61 0.05 2.41 1.01 -0.90 -4.93 120.40 118.26 1kbw s VAL 261 Ca 0.24 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1kbw s VAL 261 Cb -0.03 -2.55 -0.23 0.00 0.00 0.00 0.00 36.38 33.57 1kbw s VAL 261 CO 0.74 0.51 1.00 0.06 0.00 0.00 0.00 175.10 177.42 1kbw h GLN 262 N 6.53 0.05 -2.27 2.72 3.07 -1.93 -1.49 115.11 121.79 1kbw h GLN 262 Ca -0.31 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.32 1kbw h GLN 262 Cb 1.20 0.03 -0.24 0.00 0.08 0.00 0.00 27.48 28.55 1kbw h GLN 262 CO 0.59 0.86 -0.19 0.45 0.09 0.00 0.00 178.83 180.63 1kbw s SER 263 N -6.56 -0.73 0.15 0.06 0.15 -1.26 -4.44 113.70 101.07 1kbw s SER 263 Ca -0.03 1.26 0.08 0.00 0.70 0.00 0.00 55.95 57.97 1kbw s SER 263 Cb 0.09 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.85 1kbw s SER 263 CO 0.83 -0.22 -0.11 0.42 1.20 0.00 0.00 173.24 175.35 1kbw s THR 264 N 2.18 3.16 -0.04 6.45 -4.23 -0.68 -4.91 115.64 117.58 1kbw s THR 264 Ca -0.07 -1.54 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1kbw s THR 264 Cb -0.09 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1kbw s THR 264 CO -0.16 -0.02 0.80 -0.63 -0.54 0.00 0.00 174.62 174.06 1kbw s ILE 265 N -1.49 4.98 -0.31 2.99 -1.09 -1.25 -0.18 121.20 124.85 1kbw s ILE 265 Ca 0.23 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1kbw s ILE 265 Cb -0.10 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1kbw s ILE 265 CO 0.14 0.22 0.02 -0.69 -1.23 0.00 0.00 174.94 173.39 1kbw s VAL 266 N 0.88 3.04 0.81 2.92 1.01 0.12 -4.71 120.40 124.48 1kbw s VAL 266 Ca 0.43 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1kbw s VAL 266 Cb -0.19 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1kbw s VAL 266 CO 0.22 -0.14 1.05 -2.65 0.00 0.00 0.00 175.10 173.57 1kbw n PRO 267 N 4.63 0.16 -2.07 2.72 -0.02 -1.26 -1.83 135.00 137.33 1kbw n PRO 267 Ca -0.12 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1kbw n PRO 267 Cb 0.43 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.12 3.57 -1.48 3.55 0.00 -1.26 -0.71 121.76 123.32 1kbw s ALA 268 Ca 0.71 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1kbw s ALA 268 Cb -0.29 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1kbw s ALA 268 CO 0.53 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1kbw n GLY 269 N 1.80 1.41 2.31 0.00 0.00 0.35 -4.95 105.19 106.11 1kbw n GLY 269 Ca 0.05 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.78 3.70 1.55 -0.02 0.00 0.12 -4.72 105.19 105.05 1kbw n GLY 270 Ca -0.14 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.38 -0.57 -3.54 1.61 3.41 -1.26 -1.02 113.62 110.87 1kbw n SER 271 Ca -0.10 -1.91 -0.13 0.00 -0.26 0.00 0.00 58.87 56.47 1kbw n SER 271 Cb 0.41 1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.24 -1.84 -0.13 7.33 0.00 0.03 -2.37 121.76 122.53 1kbw s ALA 272 Ca 0.15 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1kbw s ALA 272 Cb -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1kbw s ALA 272 CO 0.10 -0.42 -0.19 0.42 0.00 0.00 0.00 175.76 175.68 1kbw s ILE 273 N -1.63 1.80 0.02 0.00 1.01 -1.23 -0.97 121.20 120.20 1kbw s ILE 273 Ca -0.03 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1kbw s ILE 273 Cb -0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1kbw s ILE 273 CO 0.02 0.50 -0.23 0.68 0.00 0.00 0.00 174.94 175.91 1kbw s VAL 274 N 0.93 1.81 -0.03 2.92 -7.23 -0.84 -0.27 120.40 117.70 1kbw s VAL 274 Ca -0.06 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1kbw s VAL 274 Cb -0.15 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.25 1kbw s VAL 274 CO -0.03 0.34 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.40 1kbw s GLU 275 N -0.98 0.95 -0.07 4.82 2.02 -0.32 -0.27 118.70 124.85 1kbw s GLU 275 Ca 0.09 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.55 1kbw s GLU 275 Cb -0.09 -0.89 0.05 0.00 0.10 0.00 0.00 34.13 33.30 1kbw s GLU 275 CO 0.01 0.11 0.53 -0.59 0.02 0.00 0.00 175.26 175.34 1kbw s PHE 276 N 0.19 -0.49 -0.22 1.61 -0.12 -0.28 -0.51 117.98 118.16 1kbw s PHE 276 Ca -0.03 0.92 -0.12 0.00 -0.05 0.00 0.00 56.93 57.65 1kbw s PHE 276 Cb -0.08 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1kbw s PHE 276 CO 0.00 -0.46 0.23 0.21 -0.05 0.00 0.00 175.22 175.15 1kbw s LYS 277 N -0.90 4.13 -0.59 1.99 2.20 -1.26 0.07 119.74 125.37 1kbw s LYS 277 Ca -0.09 -0.12 -0.19 0.00 -0.36 0.00 0.00 55.97 55.21 1kbw s LYS 277 Cb -0.03 -3.51 0.10 0.00 -1.51 0.00 0.00 37.83 32.88 1kbw s LYS 277 CO 0.06 0.08 0.71 0.08 -0.36 0.00 0.00 175.35 175.93 1kbw s VAL 278 N 0.97 4.80 -1.18 4.02 1.01 -0.55 -4.91 120.40 124.57 1kbw s VAL 278 Ca 0.11 -0.92 0.25 0.00 0.00 0.00 0.00 61.98 61.43 1kbw s VAL 278 Cb -0.13 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.81 1kbw s VAL 278 CO 0.04 -1.12 1.41 -0.90 0.00 0.00 0.00 175.10 174.53 1kbw n ASP 279 N 6.39 0.67 -3.85 3.32 3.85 -1.26 0.12 116.55 125.79 1kbw n ASP 279 Ca -0.09 -0.46 -0.13 0.00 -0.71 0.00 0.00 54.79 53.40 1kbw n ASP 279 Cb 0.43 0.28 -0.15 0.00 -1.35 0.00 0.00 41.12 40.33 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 -2.88 0.02 0.91 2.12 2.07 -1.26 -4.43 121.20 117.75 1kbw s ILE 280 Ca 0.14 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.29 1kbw s ILE 280 Cb 0.18 -0.06 0.06 0.00 0.13 0.00 0.00 42.46 42.77 1kbw s ILE 280 CO 0.67 0.04 0.68 -2.65 -1.91 0.00 0.00 174.94 171.77 1kbw n PRO 281 N 3.37 -0.25 -0.17 3.50 -0.02 -1.26 -4.94 135.00 135.23 1kbw n PRO 281 Ca -0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1kbw n PRO 281 Cb 0.57 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.10 0.87 3.40 -1.23 0.00 0.51 -4.97 105.19 104.87 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 -1.66 4.73 -0.15 1.61 0.01 -1.26 -0.89 114.94 117.33 1kbw s ASN 283 Ca 0.00 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1kbw s ASN 283 Cb 0.00 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 1kbw s ASN 283 CO 0.00 0.02 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.22 1kbw s TYR 284 N 1.29 2.94 -0.19 2.20 1.51 -0.23 -4.94 117.35 119.93 1kbw s TYR 284 Ca 0.04 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1kbw s TYR 284 Cb -0.15 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1kbw s TYR 284 CO 0.01 -0.11 -0.04 -0.08 -1.11 0.00 0.00 175.55 174.22 1kbw s THR 285 N 0.39 3.63 0.17 -0.71 -1.32 -1.22 0.33 115.64 116.92 1kbw s THR 285 Ca -0.06 -0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 1kbw s THR 285 Cb -0.15 -2.63 -0.08 0.00 -1.51 0.00 0.00 72.50 68.14 1kbw s THR 285 CO 0.04 0.45 0.90 -0.76 -2.21 0.00 0.00 174.62 173.04 1kbw s LEU 286 N 1.00 4.58 0.16 9.08 1.43 0.06 -0.92 118.68 134.06 1kbw s LEU 286 Ca 0.01 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1kbw s LEU 286 Cb -0.15 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 1kbw s LEU 286 CO 0.01 0.09 0.29 0.68 0.23 0.00 0.00 176.35 177.64 1kbw s VAL 287 N -0.73 0.07 -0.26 -1.59 -7.23 0.07 -1.30 120.40 109.43 1kbw s VAL 287 Ca 0.42 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 59.06 1kbw s VAL 287 Cb -0.24 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1kbw s VAL 287 CO 0.30 -0.31 0.50 -0.62 -0.31 0.00 0.00 175.10 174.65 1kbw s ASP 288 N -2.96 6.42 0.00 4.85 -1.08 -1.23 -1.89 116.67 120.79 1kbw s ASP 288 Ca 0.16 0.51 0.14 0.00 -0.52 0.00 0.00 52.55 52.84 1kbw s ASP 288 Cb 0.03 -2.27 0.85 0.00 -1.46 0.00 0.00 42.92 40.07 1kbw s ASP 288 CO -0.01 -0.26 1.29 1.57 0.52 0.00 0.00 175.17 178.28 1kbw n HIS 289 N 5.43 0.00 -2.11 -5.34 -0.00 0.63 -3.31 115.22 110.51 1kbw n HIS 289 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.25 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 4.43 -0.08 0.26 7.64 -1.26 -4.81 113.62 118.91 1kbw n SER 290 Ca 0.11 -2.92 0.04 0.00 1.01 0.00 0.00 58.87 57.11 1kbw n SER 290 Cb 0.05 -1.64 0.09 0.00 -1.01 0.00 0.00 64.21 61.70 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 4.98 -0.10 0.28 0.44 2.08 -1.21 -1.33 119.36 124.50 1kbw n ILE 291 Ca 0.48 0.52 0.16 0.00 0.56 0.00 0.00 62.75 64.46 1kbw n ILE 291 Cb 0.40 -0.78 0.76 0.00 -0.75 0.00 0.00 39.64 39.28 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 -0.48 1.39 -1.00 -1.87 -1.66 116.94 113.32 1kbw h PHE 292 Ca 0.16 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.81 1kbw h PHE 292 Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1kbw h PHE 292 CO -0.10 0.08 -0.19 0.00 -1.61 0.00 0.00 178.31 176.49 1kbw h ARG 293 N 0.00 0.98 0.33 1.51 3.08 -1.49 -0.66 114.38 118.13 1kbw h ARG 293 Ca -0.00 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 1kbw h ARG 293 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1kbw h ARG 293 CO 0.01 1.07 -0.16 0.00 -1.07 0.00 0.00 179.97 179.82 1kbw h ALA 294 N 0.92 -0.45 -0.01 0.04 0.00 -1.46 -1.44 119.26 116.86 1kbw h ALA 294 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kbw h ALA 294 Cb 0.76 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1kbw h ALA 294 CO 0.06 -0.53 -0.09 1.19 0.00 0.00 0.00 179.25 179.88 1kbw n PHE 295 N -5.12 0.00 0.00 0.00 3.01 -0.87 -3.58 117.46 110.90 1kbw n PHE 295 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1kbw n PHE 295 Cb 0.27 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 -0.31 3.15 -0.16 4.37 3.02 -0.27 -4.84 115.26 120.22 1kbw n ASN 296 Ca 0.17 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.74 1kbw n ASN 296 Cb 0.33 0.53 0.01 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.10 0.74 0.00 3.52 5.02 -0.63 -5.00 118.16 120.71 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 0.10 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.42 0.52 2.70 0.72 0.00 -0.68 -1.54 105.19 107.34 1kbw n GLY 298 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.56 5.41 -3.72 4.61 0.00 0.24 -4.38 120.51 121.11 1kbw n ALA 299 Ca 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 53.44 49.81 1kbw n ALA 299 Cb 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 19.45 15.82 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 1.30 0.51 0.29 0.00 0.20 -1.26 -3.47 118.68 116.25 1kbw s LEU 300 Ca 0.53 0.18 0.03 0.00 0.69 0.00 0.00 54.13 55.57 1kbw s LEU 300 Cb 0.15 0.10 -0.06 0.00 -0.43 0.00 0.00 46.19 45.95 1kbw s LEU 300 CO -0.03 -0.19 0.06 -0.83 -0.29 0.00 0.00 176.35 175.07 1kbw s GLY 301 N 1.63 1.88 0.00 7.98 0.00 -0.42 -4.58 107.32 113.81 1kbw s GLY 301 Ca -0.03 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 42.76 1kbw s GLY 301 CO -0.04 -1.72 -0.09 1.20 0.00 0.00 0.00 173.10 172.45 1kbw s GLN 302 N -3.93 0.68 -0.27 2.90 -0.21 0.55 -0.76 119.66 118.62 1kbw s GLN 302 Ca 0.36 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.39 1kbw s GLN 302 Cb 0.08 -0.64 0.06 0.00 1.00 0.00 0.00 33.01 33.51 1kbw s GLN 302 CO 0.14 0.17 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.22 1kbw s LEU 303 N -0.39 3.57 -0.25 2.90 2.96 0.15 -0.34 118.68 127.28 1kbw s LEU 303 Ca 0.02 -1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 52.32 1kbw s LEU 303 Cb -0.04 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1kbw s LEU 303 CO -0.00 -0.21 0.50 -0.54 -1.32 0.00 0.00 176.35 174.78 1kbw s LYS 304 N 1.10 4.09 -0.27 1.98 1.02 0.11 -1.07 119.74 126.69 1kbw s LYS 304 Ca -0.08 0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 1kbw s LYS 304 Cb -0.20 -3.63 0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1kbw s LYS 304 CO -0.05 -0.29 -0.04 0.08 -0.92 0.00 0.00 175.35 174.12 1kbw s VAL 305 N 2.12 2.85 0.53 3.17 1.01 -0.06 -1.52 120.40 128.51 1kbw s VAL 305 Ca 0.21 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1kbw s VAL 305 Cb -0.16 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1kbw s VAL 305 CO 0.09 0.06 0.79 -1.61 0.00 0.00 0.00 175.10 174.43 1kbw s GLU 306 N 1.27 2.81 0.00 2.72 2.02 -0.93 -0.36 118.70 126.23 1kbw s GLU 306 Ca -0.03 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1kbw s GLU 306 Cb -0.18 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1kbw s GLU 306 CO -0.03 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1kbw n GLY 307 N -2.35 0.90 3.72 -1.39 0.00 -1.26 0.10 105.19 104.90 1kbw n GLY 307 Ca 0.04 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.13 3.49 0.09 4.61 0.00 -1.26 -4.73 121.76 122.83 1kbw s ALA 308 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 51.96 50.87 1kbw s ALA 308 Cb 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 23.12 21.23 1kbw s ALA 308 CO 0.00 0.48 1.59 -1.91 0.00 0.00 0.00 175.76 175.91 1kbw n GLU 309 N 2.51 1.92 -3.98 0.00 2.13 -1.26 -4.58 120.64 117.38 1kbw n GLU 309 Ca -0.18 0.70 -0.31 0.00 0.66 0.00 0.00 57.16 58.02 1kbw n GLU 309 Cb 0.54 -2.45 -0.14 0.00 0.27 0.00 0.00 31.44 29.65 1kbw n GLU 309 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1kbw s ASN 310 N 1.43 4.64 0.66 4.31 2.47 -1.26 -4.97 114.94 122.22 1kbw s ASN 310 Ca 0.83 -2.45 0.42 0.00 0.42 0.00 0.00 52.86 52.07 1kbw s ASN 310 Cb -0.75 -1.64 2.32 0.00 -1.45 0.00 0.00 41.25 39.73 1kbw s ASN 310 CO 0.43 -0.34 2.35 -0.65 -3.72 0.00 0.00 177.10 175.17 1kbw h PRO 311 N 7.24 0.00 0.00 0.43 0.11 -1.97 -1.42 132.00 136.40 1kbw h PRO 311 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1kbw h PRO 311 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1kbw h PRO 311 CO 0.59 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.14 1kbw h GLU 312 N 0.00 0.00 0.02 1.05 5.08 -2.04 -2.63 114.58 116.06 1kbw h GLU 312 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1kbw h GLU 312 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1kbw h GLU 312 CO -0.00 0.16 -1.72 0.82 -1.00 0.00 0.00 179.01 177.27 1kbw h ILE 313 N 0.00 0.86 0.00 3.13 1.08 -1.69 -3.56 117.51 117.32 1kbw h ILE 313 Ca -0.00 -2.68 0.00 0.00 -0.39 0.00 0.00 64.86 61.79 1kbw h ILE 313 Cb 0.55 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1kbw h ILE 313 CO 0.02 0.58 0.00 0.80 -0.69 0.00 0.00 178.15 178.86