#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 -0.51 -4.77 4.31 4.77 -1.26 -4.84 117.00 114.70 1kbw n LEU 14 Ca 0.00 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 1kbw n LEU 14 Cb 0.00 0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1kbw n LEU 14 CO 0.00 -0.01 0.89 -2.84 -1.33 0.00 0.00 177.39 174.11 1kbw s PRO 15 N -4.92 4.10 -0.12 3.23 0.02 -1.26 -4.69 135.00 131.37 1kbw s PRO 15 Ca 0.00 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 62.89 1kbw s PRO 15 Cb 0.00 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 1kbw s PRO 15 CO 0.00 -0.32 0.24 0.08 -0.33 0.00 0.00 177.00 176.67 1kbw s VAL 16 N -1.31 5.33 -0.03 3.83 1.01 -1.26 -1.11 120.40 126.85 1kbw s VAL 16 Ca 0.55 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1kbw s VAL 16 Cb -0.34 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1kbw s VAL 16 CO 0.44 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 175.40 1kbw s ILE 17 N -0.41 0.37 -0.27 2.22 1.01 -0.45 -4.96 121.20 118.73 1kbw s ILE 17 Ca 0.16 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 1kbw s ILE 17 Cb -0.13 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 1kbw s ILE 17 CO 0.05 0.18 0.79 -1.81 0.00 0.00 0.00 174.94 174.15 1kbw s ASP 18 N 0.88 6.74 0.42 3.58 1.01 -1.26 0.27 116.67 128.31 1kbw s ASP 18 Ca -0.10 0.86 -0.25 0.00 0.71 0.00 0.00 52.55 53.77 1kbw s ASP 18 Cb -0.13 -2.41 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 1kbw s ASP 18 CO -0.01 -0.53 1.30 0.00 0.21 0.00 0.00 175.17 176.14 1kbw s ALA 19 N 2.85 3.20 -0.43 5.23 0.00 0.53 -4.89 121.76 128.24 1kbw s ALA 19 Ca 0.33 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 1kbw s ALA 19 Cb -0.15 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.52 1kbw s ALA 19 CO 0.09 -0.88 0.32 0.08 0.00 0.00 0.00 175.76 175.37 1kbw s VAL 20 N -1.29 5.10 -0.14 0.00 1.01 -1.26 -4.91 120.40 118.91 1kbw s VAL 20 Ca 0.59 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1kbw s VAL 20 Cb -0.38 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1kbw s VAL 20 CO 0.48 -0.41 0.01 0.42 0.00 0.00 0.00 175.10 175.60 1kbw s THR 21 N 1.63 4.34 -0.01 3.92 -4.23 -1.26 -4.59 115.64 115.45 1kbw s THR 21 Ca 0.04 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1kbw s THR 21 Cb -0.21 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 1kbw s THR 21 CO 0.08 0.53 -0.02 0.42 -0.54 0.00 0.00 174.62 175.09 1kbw s THR 22 N -0.10 4.03 0.73 3.99 -4.23 -1.04 -4.81 115.64 114.21 1kbw s THR 22 Ca 0.04 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 1kbw s THR 22 Cb -0.13 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1kbw s THR 22 CO 0.02 0.40 1.08 -1.00 -0.54 0.00 0.00 174.62 174.58 1kbw s HIS 23 N -1.04 2.78 0.22 3.99 3.76 -1.26 -1.42 115.29 122.32 1kbw s HIS 23 Ca 0.18 1.51 -0.23 0.00 -0.15 0.00 0.00 55.06 56.37 1kbw s HIS 23 Cb -0.11 -3.00 -0.08 0.00 1.11 0.00 0.00 32.58 30.50 1kbw s HIS 23 CO 0.09 -1.57 0.78 0.00 -0.85 0.00 0.00 174.74 173.19 1kbw s ALA 24 N -2.90 3.39 0.00 -1.40 0.00 -1.26 -2.74 121.76 116.85 1kbw s ALA 24 Ca 0.61 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1kbw s ALA 24 Cb -0.16 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1kbw s ALA 24 CO 0.54 0.29 0.00 -2.30 0.00 0.00 0.00 175.76 174.29 1kbw n PRO 25 N 1.01 0.00 -2.56 0.00 -0.02 -1.23 -5.03 135.00 127.17 1kbw n PRO 25 Ca -0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 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 4.51 0.02 -0.52 2.02 -1.11 0.48 118.70 124.11 1kbw s GLU 26 Ca 0.00 1.63 0.07 0.00 0.02 0.00 0.00 54.97 56.69 1kbw s GLU 26 Cb 0.00 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1kbw s GLU 26 CO 0.00 0.14 -0.18 0.08 0.02 0.00 0.00 175.26 175.32 1kbw s VAL 27 N -1.36 2.75 0.87 2.63 1.01 -1.26 -4.56 120.40 120.49 1kbw s VAL 27 Ca 0.49 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1kbw s VAL 27 Cb -0.27 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.11 1kbw s VAL 27 CO 0.34 0.41 1.12 -2.84 0.00 0.00 0.00 175.10 174.12 1kbw s PRO 28 N -1.23 1.38 0.53 2.72 0.02 -1.26 -4.94 135.00 132.22 1kbw s PRO 28 Ca 0.14 1.31 -0.22 0.00 0.02 0.00 0.00 61.00 62.25 1kbw s PRO 28 Cb -0.10 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1kbw s PRO 28 CO 0.04 -2.30 1.26 -2.30 -0.33 0.00 0.00 177.00 173.37 1kbw n PRO 29 N -3.99 1.56 -1.86 5.54 -0.02 -1.26 -4.92 135.00 130.05 1kbw n PRO 29 Ca 0.10 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 1kbw n PRO 29 Cb 0.53 -2.45 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.31 2.85 -0.31 3.55 0.00 -1.26 -4.88 121.76 120.40 1kbw s ALA 30 Ca 0.71 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.66 1kbw s ALA 30 Cb -0.44 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.13 1kbw s ALA 30 CO 0.50 -1.26 1.71 0.42 0.00 0.00 0.00 175.76 177.13 1kbw s ILE 31 N -1.34 3.58 -0.78 0.00 -1.09 -1.26 -4.90 121.20 115.40 1kbw s ILE 31 Ca 0.70 0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 59.72 1kbw s ILE 31 Cb -0.39 -3.72 0.36 0.00 -1.58 0.00 0.00 42.46 37.13 1kbw s ILE 31 CO 0.46 -0.42 1.85 0.47 -1.23 0.00 0.00 174.94 176.06 1kbw n ASP 32 N 9.61 7.00 -3.83 3.58 8.00 -1.26 -4.93 116.55 134.73 1kbw n ASP 32 Ca 0.21 -3.81 -0.12 0.00 0.71 0.00 0.00 54.79 51.78 1kbw n ASP 32 Cb 0.46 -0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 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 -3.99 0.52 -0.32 -1.24 1.70 -1.26 -5.07 118.95 109.28 1kbw s ARG 33 Ca 0.51 -0.25 0.10 0.00 -0.47 0.00 0.00 55.73 55.62 1kbw s ARG 33 Cb 0.42 0.22 0.46 0.00 -0.57 0.00 0.00 34.95 35.48 1kbw s ARG 33 CO -0.36 -0.13 1.14 -0.40 -1.08 0.00 0.00 175.30 174.47 1kbw n ASP 34 N 1.57 4.13 -3.80 -2.89 5.75 -1.26 -5.02 116.55 115.03 1kbw n ASP 34 Ca -0.21 -3.41 -0.12 0.00 -0.01 0.00 0.00 54.79 51.04 1kbw n ASP 34 Cb 0.56 -0.40 -0.09 0.00 -1.03 0.00 0.00 41.12 40.16 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 -3.59 -0.07 0.58 2.11 -0.85 -1.26 -5.16 117.35 109.12 1kbw s TYR 35 Ca 0.45 0.02 -0.19 0.00 -0.52 0.00 0.00 57.07 56.84 1kbw s TYR 35 Cb 0.40 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1kbw s TYR 35 CO -0.02 -0.39 1.17 -2.14 -1.52 0.00 0.00 175.55 172.65 1kbw s PRO 36 N -1.75 3.09 0.19 -3.49 0.02 -1.26 -5.01 135.00 126.78 1kbw s PRO 36 Ca -0.11 1.71 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 1kbw s PRO 36 Cb -0.04 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1kbw s PRO 36 CO 0.01 -1.08 0.39 0.00 -0.33 0.00 0.00 177.00 175.99 1kbw s ALA 37 N -1.73 -0.32 -0.42 -1.55 0.00 -1.26 -4.38 121.76 112.10 1kbw s ALA 37 Ca 0.75 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 1kbw s ALA 37 Cb -0.27 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1kbw s ALA 37 CO 0.31 -0.74 0.31 0.21 0.00 0.00 0.00 175.76 175.86 1kbw s LYS 38 N -3.95 2.96 -0.28 0.00 2.20 -0.27 -1.04 119.74 119.35 1kbw s LYS 38 Ca 0.16 -1.08 -0.16 0.00 -0.36 0.00 0.00 55.97 54.53 1kbw s LYS 38 Cb 0.01 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 1kbw s LYS 38 CO 0.01 -0.79 0.43 0.08 -0.36 0.00 0.00 175.35 174.71 1kbw s VAL 39 N 1.66 5.13 -0.18 4.02 1.01 0.14 -1.34 120.40 130.84 1kbw s VAL 39 Ca 0.05 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1kbw s VAL 39 Cb -0.20 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1kbw s VAL 39 CO 0.09 0.07 0.68 -0.13 0.00 0.00 0.00 175.10 175.81 1kbw s ARG 40 N 2.17 4.26 -0.05 2.72 0.52 0.14 -0.22 118.95 128.49 1kbw s ARG 40 Ca 0.17 0.72 0.05 0.00 -0.52 0.00 0.00 55.73 56.16 1kbw s ARG 40 Cb -0.16 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 1kbw s ARG 40 CO 0.10 -0.22 -0.21 0.08 0.02 0.00 0.00 175.30 175.07 1kbw s VAL 41 N 1.82 1.76 -0.18 3.52 1.01 0.43 -0.35 120.40 128.41 1kbw s VAL 41 Ca 0.32 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1kbw s VAL 41 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1kbw s VAL 41 CO 0.11 0.50 -0.07 -0.54 0.00 0.00 0.00 175.10 175.10 1kbw s LYS 42 N -0.05 3.45 -0.02 2.72 1.02 -1.26 -0.62 119.74 124.98 1kbw s LYS 42 Ca -0.04 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 42 Cb -0.13 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1kbw s LYS 42 CO 0.03 0.04 -0.14 -1.64 -0.92 0.00 0.00 175.35 172.71 1kbw s MET 43 N 0.86 1.22 -0.03 1.68 -1.94 -0.28 -4.97 119.30 115.84 1kbw s MET 43 Ca -0.02 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1kbw s MET 43 Cb -0.15 -1.16 -0.00 0.00 2.01 0.00 0.00 34.83 35.53 1kbw s MET 43 CO 0.01 0.29 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.19 1kbw s GLU 44 N -0.27 1.28 -0.24 2.03 2.12 -1.26 -0.51 118.70 121.85 1kbw s GLU 44 Ca 0.04 -0.43 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 1kbw s GLU 44 Cb -0.06 -1.16 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 1kbw s GLU 44 CO -0.00 0.18 0.10 0.95 -0.54 0.00 0.00 175.26 175.94 1kbw s THR 45 N 0.10 4.73 -0.02 -1.70 -4.23 0.05 0.11 115.64 114.68 1kbw s THR 45 Ca -0.03 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 1kbw s THR 45 Cb -0.09 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1kbw s THR 45 CO 0.01 0.35 -0.09 0.54 -0.54 0.00 0.00 174.62 174.89 1kbw s VAL 46 N 1.28 0.76 -0.16 2.29 0.11 -0.70 -1.47 120.40 122.52 1kbw s VAL 46 Ca 0.06 -0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 58.59 1kbw s VAL 46 Cb -0.15 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1kbw s VAL 46 CO 0.05 0.23 0.37 -1.61 -3.33 0.00 0.00 175.10 170.80 1kbw s GLU 47 N 0.09 4.27 -0.04 1.54 2.02 -1.26 -1.55 118.70 123.77 1kbw s GLU 47 Ca -0.01 0.22 -0.23 0.00 0.02 0.00 0.00 54.97 54.96 1kbw s GLU 47 Cb -0.07 -3.45 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1kbw s GLU 47 CO 0.00 0.16 0.51 -1.59 0.02 0.00 0.00 175.26 174.36 1kbw s LYS 48 N 0.68 0.86 -0.05 1.61 -2.85 -0.44 -4.96 119.74 114.60 1kbw s LYS 48 Ca 0.20 0.08 -0.22 0.00 -1.00 0.00 0.00 55.97 55.03 1kbw s LYS 48 Cb -0.14 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1kbw s LYS 48 CO 0.06 -0.25 0.63 0.99 0.10 0.00 0.00 175.35 176.88 1kbw s THR 49 N -1.18 5.02 0.26 3.79 2.01 -1.26 -1.22 115.64 123.06 1kbw s THR 49 Ca -0.12 1.30 0.02 0.00 0.31 0.00 0.00 61.69 63.20 1kbw s THR 49 Cb -0.03 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1kbw s THR 49 CO 0.07 0.32 0.23 -0.04 -0.69 0.00 0.00 174.62 174.50 1kbw s MET 50 N 0.44 1.47 -0.13 4.92 -1.94 -0.70 -4.96 119.30 118.39 1kbw s MET 50 Ca 0.34 -1.77 -0.23 0.00 -1.71 0.00 0.00 55.69 52.31 1kbw s MET 50 Cb -0.17 0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.95 1kbw s MET 50 CO 0.17 -0.53 0.73 0.21 -0.01 0.00 0.00 175.02 175.59 1kbw s LYS 51 N -3.81 4.33 -0.12 2.03 2.20 -1.26 -0.97 119.74 122.14 1kbw s LYS 51 Ca 0.38 0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 56.74 1kbw s LYS 51 Cb 0.04 -3.52 -0.26 0.00 -1.51 0.00 0.00 37.83 32.58 1kbw s LYS 51 CO 0.18 -0.15 0.45 1.98 -0.36 0.00 0.00 175.35 177.45 1kbw h MET 52 N 7.14 0.24 -3.83 4.03 1.85 -0.67 -3.45 114.93 120.24 1kbw h MET 52 Ca -0.34 -0.41 -0.21 0.00 -0.61 0.00 0.00 59.70 58.12 1kbw h MET 52 Cb 1.16 0.15 -0.06 0.00 0.43 0.00 0.00 31.60 33.29 1kbw h MET 52 CO 0.79 1.20 -0.06 0.34 -0.40 0.00 0.00 176.91 178.77 1kbw s ASP 53 N -7.05 0.71 0.05 1.39 3.68 -1.16 -0.35 116.67 113.95 1kbw s ASP 53 Ca -0.22 -1.41 -0.31 0.00 2.13 0.00 0.00 52.55 52.74 1kbw s ASP 53 Cb 0.06 0.72 -0.10 0.00 -1.45 0.00 0.00 42.92 42.14 1kbw s ASP 53 CO 0.76 -1.41 1.90 -0.67 0.13 0.00 0.00 175.17 175.88 1kbw n ASP 54 N -1.45 3.99 0.00 -0.34 -0.08 -1.26 -1.15 116.55 116.25 1kbw n ASP 54 Ca -0.02 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1kbw n ASP 54 Cb 0.61 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.56 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 4.39 0.50 3.28 0.27 0.00 -1.26 -4.96 105.19 107.41 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 -2.42 2.90 0.15 1.61 1.01 -0.30 -0.92 120.40 122.43 1kbw s VAL 56 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1kbw s VAL 56 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1kbw s VAL 56 CO 0.00 0.49 -0.05 -1.61 0.00 0.00 0.00 175.10 173.93 1kbw s GLU 57 N 1.00 2.26 -0.02 2.72 2.02 -0.29 0.08 118.70 126.47 1kbw s GLU 57 Ca -0.01 -1.10 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 1kbw s GLU 57 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1kbw s GLU 57 CO -0.02 0.47 0.11 -0.47 0.02 0.00 0.00 175.26 175.37 1kbw s TYR 58 N -1.55 -0.01 -0.89 1.61 5.04 -0.15 -0.25 117.35 121.16 1kbw s TYR 58 Ca 0.25 0.02 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 1kbw s TYR 58 Cb -0.10 -0.03 0.13 0.00 0.35 0.00 0.00 41.96 42.31 1kbw s TYR 58 CO 0.16 -0.17 1.09 0.50 -1.34 0.00 0.00 175.55 175.79 1kbw s ARG 59 N -0.73 3.54 0.42 4.97 6.06 -1.26 -1.73 118.95 130.22 1kbw s ARG 59 Ca -0.08 -1.68 -0.22 0.00 -2.50 0.00 0.00 55.73 51.25 1kbw s ARG 59 Cb -0.05 -4.82 -0.11 0.00 0.06 0.00 0.00 34.95 30.03 1kbw s ARG 59 CO 0.01 -1.76 0.96 0.71 -2.50 0.00 0.00 175.30 172.71 1kbw s TYR 60 N 2.75 3.33 -0.25 5.12 1.51 -0.36 -4.89 117.35 124.56 1kbw s TYR 60 Ca 0.31 1.63 -0.02 0.00 -1.01 0.00 0.00 57.07 57.97 1kbw s TYR 60 Cb -0.07 -2.88 0.02 0.00 -0.11 0.00 0.00 41.96 38.92 1kbw s TYR 60 CO -0.07 -0.14 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.61 1kbw s TRP 61 N -2.10 3.05 0.31 2.71 0.51 -0.41 -1.32 118.94 121.69 1kbw s TRP 61 Ca 0.61 -1.40 0.08 0.00 -2.12 0.00 0.00 56.10 53.27 1kbw s TRP 61 Cb -0.11 -2.08 -0.06 0.00 -0.81 0.00 0.00 33.47 30.41 1kbw s TRP 61 CO 0.15 -0.69 -0.06 0.95 -0.51 0.00 0.00 176.95 176.79 1kbw s THR 62 N 1.37 1.86 -0.39 2.01 -4.23 -0.59 -2.83 115.64 112.83 1kbw s THR 62 Ca 0.01 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.28 1kbw s THR 62 Cb -0.16 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1kbw s THR 62 CO -0.04 -0.23 0.23 -0.36 -0.54 0.00 0.00 174.62 173.68 1kbw s PHE 63 N -2.86 3.27 -1.18 3.99 0.08 -1.25 -1.72 117.98 118.30 1kbw s PHE 63 Ca 0.31 -1.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.22 1kbw s PHE 63 Cb 0.04 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1kbw s PHE 63 CO 0.14 -0.71 0.40 -0.25 -0.10 0.00 0.00 175.22 174.70 1kbw n ASP 64 N 4.99 -4.94 0.00 1.36 9.92 0.30 -3.94 116.55 124.24 1kbw n ASP 64 Ca -0.11 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1kbw n ASP 64 Cb 0.45 -3.83 0.00 0.00 -0.64 0.00 0.00 41.12 37.10 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 -1.29 1.09 3.72 0.44 0.00 -1.26 -4.95 105.19 102.95 1kbw n GLY 65 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1kbw n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kbw s ASP 66 N -2.55 0.26 -0.13 1.61 -1.08 -1.25 -5.02 116.67 108.51 1kbw s ASP 66 Ca 0.00 -1.25 0.03 0.00 -0.52 0.00 0.00 52.55 50.80 1kbw s ASP 66 Cb 0.00 0.81 0.01 0.00 -1.46 0.00 0.00 42.92 42.28 1kbw s ASP 66 CO 0.00 -1.60 -0.21 -0.69 0.52 0.00 0.00 175.17 173.19 1kbw s VAL 67 N -2.46 1.96 0.70 1.11 1.01 -1.26 -3.90 120.40 117.56 1kbw s VAL 67 Ca 0.19 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1kbw s VAL 67 Cb -0.04 -1.74 0.16 0.00 0.00 0.00 0.00 36.38 34.76 1kbw s VAL 67 CO 0.14 0.53 0.95 -0.81 0.00 0.00 0.00 175.10 175.91 1kbw n PRO 68 N 4.01 -0.77 -1.07 2.72 -0.04 -1.26 -3.23 135.00 135.36 1kbw n PRO 68 Ca -0.20 -1.65 -0.30 0.00 -0.04 0.00 0.00 63.50 61.32 1kbw n PRO 68 Cb 0.52 -0.92 0.24 0.00 -0.04 0.00 0.00 33.50 33.29 1kbw n PRO 68 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kbw s GLY 69 N -5.04 1.58 0.33 0.55 0.00 0.26 -4.68 107.32 100.32 1kbw s GLY 69 Ca 0.55 -0.94 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 1kbw s GLY 69 CO 0.38 -0.06 1.18 0.50 0.00 0.00 0.00 173.10 175.11 1kbw s ARG 70 N -5.40 4.39 0.14 2.90 0.52 -1.26 -4.66 118.95 115.58 1kbw s ARG 70 Ca 0.71 1.94 -0.30 0.00 -0.52 0.00 0.00 55.73 57.55 1kbw s ARG 70 Cb -0.10 -3.00 -0.07 0.00 0.52 0.00 0.00 34.95 32.30 1kbw s ARG 70 CO 0.56 -0.06 1.05 1.41 0.02 0.00 0.00 175.30 178.28 1kbw s MET 71 N -1.80 4.63 -0.06 3.54 -2.45 -0.51 -4.61 119.30 118.04 1kbw s MET 71 Ca 0.49 1.62 -0.00 0.00 -1.25 0.00 0.00 55.69 56.55 1kbw s MET 71 Cb -0.34 -3.32 -0.03 0.00 1.25 0.00 0.00 34.83 32.39 1kbw s MET 71 CO 0.44 0.11 -0.01 0.42 1.05 0.00 0.00 175.02 177.02 1kbw s ILE 72 N -0.07 4.14 -0.10 10.11 1.01 -0.97 -2.48 121.20 132.84 1kbw s ILE 72 Ca 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1kbw s ILE 72 Cb -0.27 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1kbw s ILE 72 CO 0.33 0.54 -0.01 -0.60 0.00 0.00 0.00 174.94 175.19 1kbw s ARG 73 N -1.07 0.83 0.33 2.79 3.52 -1.26 -0.26 118.95 123.83 1kbw s ARG 73 Ca 0.15 -0.07 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1kbw s ARG 73 Cb -0.11 -1.32 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1kbw s ARG 73 CO 0.04 -0.35 0.15 0.14 -0.81 0.00 0.00 175.30 174.47 1kbw s VAL 74 N 1.89 0.42 -0.02 7.11 -7.23 -0.26 -4.90 120.40 117.41 1kbw s VAL 74 Ca 0.04 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1kbw s VAL 74 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1kbw s VAL 74 CO -0.06 0.00 0.04 -0.60 -0.31 0.00 0.00 175.10 174.17 1kbw s ARG 75 N -3.78 2.96 0.01 4.82 3.52 -1.26 -0.38 118.95 124.84 1kbw s ARG 75 Ca 0.33 -0.51 -0.36 0.00 -0.13 0.00 0.00 55.73 55.07 1kbw s ARG 75 Cb 0.05 -2.79 -0.14 0.00 -1.56 0.00 0.00 34.95 30.50 1kbw s ARG 75 CO 0.17 0.65 1.61 -1.91 -0.81 0.00 0.00 175.30 175.02 1kbw n GLU 76 N 1.42 1.72 0.00 5.12 2.13 0.59 -0.99 120.64 130.62 1kbw n GLU 76 Ca -0.15 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1kbw n GLU 76 Cb 0.53 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.88 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 3.54 0.22 3.80 8.31 0.00 0.39 -4.72 105.19 116.72 1kbw n GLY 77 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.99 5.03 -0.23 1.61 -0.00 -0.16 -4.67 116.67 116.26 1kbw s ASP 78 Ca 0.00 1.67 -0.05 0.00 -0.00 0.00 0.00 52.55 54.17 1kbw s ASP 78 Cb 0.00 -2.48 -0.02 0.00 -0.00 0.00 0.00 42.92 40.42 1kbw s ASP 78 CO 0.00 -1.68 0.01 -0.89 -0.00 0.00 0.00 175.17 172.61 1kbw s THR 79 N -3.00 3.84 -0.31 -1.27 2.01 -0.20 -0.89 115.64 115.81 1kbw s THR 79 Ca 0.59 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 1kbw s THR 79 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1kbw s THR 79 CO 0.55 0.39 0.27 -0.69 -0.69 0.00 0.00 174.62 174.45 1kbw s VAL 80 N 1.43 5.26 -0.30 3.82 1.01 0.11 0.23 120.40 131.95 1kbw s VAL 80 Ca 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1kbw s VAL 80 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1kbw s VAL 80 CO 0.00 0.08 0.14 -0.70 0.00 0.00 0.00 175.10 174.63 1kbw s GLU 81 N 1.84 3.41 -0.21 2.72 2.12 0.70 -1.66 118.70 127.63 1kbw s GLU 81 Ca 0.09 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 1kbw s GLU 81 Cb -0.17 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 1kbw s GLU 81 CO 0.11 -0.37 0.06 0.08 -0.54 0.00 0.00 175.26 174.59 1kbw s VAL 82 N 1.62 4.52 -0.46 3.70 1.01 0.27 -0.43 120.40 130.63 1kbw s VAL 82 Ca 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1kbw s VAL 82 Cb -0.17 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.24 1kbw s VAL 82 CO 0.06 0.41 0.36 -0.70 0.00 0.00 0.00 175.10 175.24 1kbw s GLU 83 N 0.85 2.81 -0.34 2.72 2.12 0.21 -2.13 118.70 124.94 1kbw s GLU 83 Ca 0.03 -1.48 -0.13 0.00 0.36 0.00 0.00 54.97 53.76 1kbw s GLU 83 Cb -0.14 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 1kbw s GLU 83 CO 0.02 -1.06 0.23 0.12 -0.54 0.00 0.00 175.26 174.03 1kbw s PHE 84 N 1.54 3.22 -0.09 5.30 5.36 0.11 -1.13 117.98 132.29 1kbw s PHE 84 Ca 0.04 -0.26 0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1kbw s PHE 84 Cb -0.25 -2.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.95 1kbw s PHE 84 CO 0.04 -0.37 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.10 1kbw s SER 85 N 1.71 3.44 -0.30 6.13 0.01 0.33 0.90 113.70 125.93 1kbw s SER 85 Ca 0.06 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.77 1kbw s SER 85 Cb -0.17 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 1kbw s SER 85 CO 0.10 0.21 0.19 0.21 0.41 0.00 0.00 173.24 174.36 1kbw s ASN 86 N 0.05 5.91 0.31 2.44 2.47 -0.65 -0.77 114.94 124.69 1kbw s ASN 86 Ca -0.08 -0.20 -0.28 0.00 0.42 0.00 0.00 52.86 52.72 1kbw s ASN 86 Cb -0.15 -2.10 -0.14 0.00 -1.45 0.00 0.00 41.25 37.42 1kbw s ASN 86 CO 0.05 -0.12 1.03 -3.20 -3.72 0.00 0.00 177.10 171.14 1kbw n ASN 87 N 5.05 1.40 0.15 -4.21 5.15 -0.54 -0.35 115.26 121.90 1kbw n ASN 87 Ca -0.14 1.17 0.19 0.00 -0.60 0.00 0.00 54.58 55.20 1kbw n ASN 87 Cb 0.51 -1.31 0.78 0.00 -0.53 0.00 0.00 39.78 39.23 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 1.98 0.00 -0.01 1.20 0.11 -1.90 -1.47 132.00 131.91 1kbw h PRO 88 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kbw h PRO 88 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1kbw h PRO 88 CO 0.60 0.00 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.11 1kbw n SER 89 N -3.69 1.30 -4.75 -2.05 3.41 -1.26 -4.49 113.62 102.08 1kbw n SER 89 Ca 0.05 -1.18 -0.36 0.00 -0.26 0.00 0.00 58.87 57.12 1kbw n SER 89 Cb 0.50 0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.29 5.08 0.02 4.04 0.01 -0.56 -4.93 113.70 115.08 1kbw s SER 90 Ca 0.30 2.38 0.22 0.00 1.31 0.00 0.00 55.95 60.16 1kbw s SER 90 Cb 0.20 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.69 1kbw s SER 90 CO 0.44 -1.67 0.82 0.35 0.41 0.00 0.00 173.24 173.59 1kbw n THR 91 N -1.73 0.11 -4.18 1.44 -2.24 -1.26 -4.76 114.28 101.66 1kbw n THR 91 Ca 0.14 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1kbw n THR 91 Cb 0.50 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 -3.28 0.15 0.85 2.28 -7.23 -1.26 -5.02 120.40 106.89 1kbw s VAL 92 Ca 0.00 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1kbw s VAL 92 Cb 0.14 -2.21 0.10 0.00 0.56 0.00 0.00 36.38 34.98 1kbw s VAL 92 CO 0.85 -0.32 1.09 -2.84 -0.31 0.00 0.00 175.10 173.58 1kbw s PRO 93 N -4.07 1.64 -0.03 4.82 0.02 -1.26 -4.48 135.00 131.65 1kbw s PRO 93 Ca 0.29 0.74 -0.16 0.00 0.02 0.00 0.00 61.00 61.89 1kbw s PRO 93 Cb 0.07 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.76 1kbw s PRO 93 CO 0.05 -1.95 0.35 -1.01 -0.33 0.00 0.00 177.00 174.11 1kbw s HIS 94 N -3.04 -0.25 0.00 6.54 3.76 -0.85 -4.93 115.29 116.53 1kbw s HIS 94 Ca 0.62 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 1kbw s HIS 94 Cb -0.16 0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1kbw s HIS 94 CO 0.56 -0.39 0.00 0.27 -0.85 0.00 0.00 174.74 174.33 1kbw n ASN 95 N 1.41 0.00 -3.78 1.40 0.23 -1.26 -1.41 115.26 111.85 1kbw n ASN 95 Ca -0.20 -0.82 -0.13 0.00 -0.53 0.00 0.00 54.58 52.90 1kbw n ASN 95 Cb 0.56 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.13 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 -2.14 -0.02 -0.27 3.53 0.11 -1.26 -4.21 120.40 116.13 1kbw s VAL 96 Ca 0.00 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1kbw s VAL 96 Cb 0.00 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1kbw s VAL 96 CO 0.00 0.03 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.15 1kbw s ASP 97 N 0.65 4.54 -0.25 3.54 3.68 0.62 -2.16 116.67 127.29 1kbw s ASP 97 Ca -0.05 -1.02 -0.15 0.00 2.13 0.00 0.00 52.55 53.46 1kbw s ASP 97 Cb -0.06 -1.68 -0.04 0.00 -1.45 0.00 0.00 42.92 39.69 1kbw s ASP 97 CO -0.03 -0.18 0.36 -0.36 0.13 0.00 0.00 175.17 175.09 1kbw s PHE 98 N 1.30 3.28 -0.67 -5.34 0.40 0.17 -1.52 117.98 115.59 1kbw s PHE 98 Ca -0.02 0.44 0.19 0.00 -0.60 0.00 0.00 56.93 56.94 1kbw s PHE 98 Cb -0.18 -2.54 0.82 0.00 0.51 0.00 0.00 43.02 41.63 1kbw s PHE 98 CO -0.03 -0.16 1.59 0.72 0.70 0.00 0.00 175.22 178.03 1kbw n HIS 99 N 5.08 0.48 0.63 0.36 8.25 -0.45 -1.50 115.22 128.07 1kbw n HIS 99 Ca -0.09 0.20 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 1kbw n HIS 99 Cb 0.51 -0.82 0.29 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.67 2.68 -2.54 -1.41 0.00 -1.26 -4.87 120.51 111.44 1kbw n ALA 100 Ca 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1kbw n ALA 100 Cb 0.18 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.12 3.71 -0.25 0.00 0.00 -0.56 -4.49 121.76 117.04 1kbw s ALA 101 Ca 0.09 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1kbw s ALA 101 Cb 0.13 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1kbw s ALA 101 CO 0.66 0.53 0.07 0.99 0.00 0.00 0.00 175.76 178.01 1kbw s THR 102 N -1.30 4.24 0.00 0.00 2.01 -1.26 -4.62 115.64 114.71 1kbw s THR 102 Ca 0.30 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1kbw s THR 102 Cb -0.15 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1kbw s THR 102 CO 0.17 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1kbw n GLY 103 N 4.92 3.58 0.47 4.40 0.00 -1.26 -4.95 105.19 112.35 1kbw n GLY 103 Ca -0.16 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.80 0.00 -1.77 1.61 -0.06 -1.26 0.29 117.38 114.40 1kbw n GLN 104 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 1kbw n GLN 104 Cb 0.00 -0.21 -0.02 0.00 -4.06 0.00 0.00 30.24 25.95 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 0.99 0.21 2.43 1.69 0.00 -1.26 -1.01 105.19 108.23 1kbw n GLY 105 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 0.09 0.00 -0.02 0.00 0.15 -1.61 105.19 103.41 1kbw n GLY 106 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.82 0.54 0.23 -0.02 0.00 -0.18 -0.66 105.19 104.28 1kbw n GLY 107 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 0.73 -0.38 4.61 0.00 -0.78 -1.60 119.26 121.83 1kbw h ALA 108 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kbw h ALA 108 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1kbw h ALA 108 CO 0.00 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.44 1kbw h ALA 109 N 1.22 0.51 0.00 0.00 0.00 -1.84 -2.71 119.26 116.44 1kbw h ALA 109 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kbw h ALA 109 Cb -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1kbw h ALA 109 CO -0.06 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.36 1kbw h ALA 110 N 0.91 1.02 -0.42 0.00 0.00 -1.85 -3.17 119.26 115.75 1kbw h ALA 110 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kbw h ALA 110 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1kbw h ALA 110 CO 0.01 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1kbw n THR 111 N -3.21 0.83 -1.63 0.00 -2.24 -0.62 -4.60 114.28 102.81 1kbw n THR 111 Ca 0.00 -0.91 -0.43 0.00 -2.27 0.00 0.00 64.05 60.44 1kbw n THR 111 Cb 0.34 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.06 1.21 -0.10 4.78 5.36 -1.04 -4.19 117.98 122.94 1kbw s PHE 112 Ca 0.31 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1kbw s PHE 112 Cb 0.17 -3.97 0.02 0.00 -0.34 0.00 0.00 43.02 38.90 1kbw s PHE 112 CO 0.22 -4.21 -0.10 0.99 -1.46 0.00 0.00 175.22 170.67 1kbw s THR 113 N 7.80 1.10 0.75 0.12 2.01 -0.50 -4.96 115.64 121.96 1kbw s THR 113 Ca 0.98 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 1kbw s THR 113 Cb -0.34 -1.07 0.04 0.00 0.01 0.00 0.00 72.50 71.14 1kbw s THR 113 CO 0.36 0.37 1.08 0.00 -0.69 0.00 0.00 174.62 175.74 1kbw s ALA 114 N 1.37 2.47 0.40 7.40 0.00 -1.26 -2.00 121.76 130.14 1kbw s ALA 114 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 1kbw s ALA 114 Cb -0.14 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1kbw s ALA 114 CO -0.05 -1.48 1.18 -2.30 0.00 0.00 0.00 175.76 173.12 1kbw n PRO 115 N -3.28 1.75 -0.89 0.00 -0.02 -1.26 -1.93 135.00 129.37 1kbw n PRO 115 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1kbw n PRO 115 Cb 0.55 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.94 0.54 3.75 -1.23 0.00 0.52 -4.84 105.19 104.87 1kbw n GLY 116 Ca 0.07 0.00 -0.23 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 -0.47 2.51 -0.02 1.61 3.52 -0.81 -4.88 118.95 120.40 1kbw s ARG 117 Ca 0.00 -1.40 0.04 0.00 -0.13 0.00 0.00 55.73 54.24 1kbw s ARG 117 Cb 0.00 -2.29 -0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1kbw s ARG 117 CO 0.00 0.21 -0.13 0.99 -0.81 0.00 0.00 175.30 175.56 1kbw s THR 118 N -2.34 1.07 0.18 4.11 2.01 -1.26 -1.64 115.64 117.77 1kbw s THR 118 Ca 0.36 -0.55 0.11 0.00 0.31 0.00 0.00 61.69 61.92 1kbw s THR 118 Cb -0.05 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1kbw s THR 118 CO 0.23 0.31 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.82 1kbw s SER 119 N -0.07 3.61 -0.02 3.53 0.01 0.26 -4.98 113.70 116.05 1kbw s SER 119 Ca 0.00 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1kbw s SER 119 Cb -0.08 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.80 1kbw s SER 119 CO 0.00 0.13 -0.03 -0.89 0.41 0.00 0.00 173.24 172.87 1kbw s THR 120 N -1.58 0.30 0.08 1.44 2.01 -1.26 0.04 115.64 116.67 1kbw s THR 120 Ca 0.21 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 1kbw s THR 120 Cb -0.08 -0.32 0.08 0.00 0.01 0.00 0.00 72.50 72.19 1kbw s THR 120 CO 0.10 0.13 0.69 0.72 -0.69 0.00 0.00 174.62 175.57 1kbw s PHE 121 N 0.47 -0.51 0.06 4.92 -0.12 -0.91 -4.98 117.98 116.91 1kbw s PHE 121 Ca -0.05 0.45 0.02 0.00 -0.05 0.00 0.00 56.93 57.30 1kbw s PHE 121 Cb -0.08 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1kbw s PHE 121 CO -0.01 -0.73 -0.07 -1.54 -0.05 0.00 0.00 175.22 172.83 1kbw s SER 122 N -2.37 0.88 0.05 1.98 1.04 -1.26 -0.56 113.70 113.46 1kbw s SER 122 Ca -0.00 -0.75 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 1kbw s SER 122 Cb -0.01 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1kbw s SER 122 CO -0.08 -0.34 0.14 0.72 0.98 0.00 0.00 173.24 174.66 1kbw s PHE 123 N -2.43 0.18 -0.27 5.02 -0.12 -0.66 -4.97 117.98 114.73 1kbw s PHE 123 Ca -0.01 -0.52 -0.11 0.00 -0.05 0.00 0.00 56.93 56.25 1kbw s PHE 123 Cb -0.03 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 1kbw s PHE 123 CO -0.02 -0.43 0.18 0.21 -0.05 0.00 0.00 175.22 175.10 1kbw s LYS 124 N -3.07 3.95 -1.04 1.99 2.20 -1.26 0.05 119.74 122.56 1kbw s LYS 124 Ca -0.01 -0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 1kbw s LYS 124 Cb 0.01 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1kbw s LYS 124 CO -0.07 -0.15 1.86 0.00 -0.36 0.00 0.00 175.35 176.63 1kbw s ALA 125 N 1.65 1.99 0.23 3.13 0.00 -0.07 -4.66 121.76 124.03 1kbw s ALA 125 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1kbw s ALA 125 Cb -0.16 -4.60 0.24 0.00 0.00 0.00 0.00 23.12 18.61 1kbw s ALA 125 CO 0.10 -4.65 1.59 -0.07 0.00 0.00 0.00 175.76 172.73 1kbw h LEU 126 N 16.69 0.52 -8.46 0.00 3.38 -1.86 0.11 115.31 125.69 1kbw h LEU 126 Ca 0.18 -0.24 -0.65 0.00 0.09 0.00 0.00 57.88 57.25 1kbw h LEU 126 Cb 0.97 -0.15 -0.31 0.00 0.09 0.00 0.00 40.66 41.27 1kbw h LEU 126 CO 1.27 0.89 -0.87 -1.10 0.09 0.00 0.00 178.44 178.72 1kbw s GLN 127 N -4.16 2.13 0.72 1.13 -0.21 -1.26 -4.63 119.66 113.39 1kbw s GLN 127 Ca -0.07 -0.83 -0.13 0.00 0.02 0.00 0.00 55.36 54.36 1kbw s GLN 127 Cb 0.12 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 32.24 1kbw s GLN 127 CO 0.82 0.42 1.10 -1.25 -2.12 0.00 0.00 175.29 174.25 1kbw s PRO 128 N -0.31 2.52 0.00 2.91 0.04 -1.26 -4.82 135.00 134.08 1kbw s PRO 128 Ca 0.02 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1kbw s PRO 128 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1kbw s PRO 128 CO 0.01 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1kbw n GLY 129 N -0.90 1.27 3.24 0.56 0.00 0.39 -4.96 105.19 104.78 1kbw n GLY 129 Ca 0.10 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 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 4.52 0.03 0.99 2.96 -1.24 -0.56 118.68 125.37 1kbw s LEU 130 Ca 0.00 -1.34 0.04 0.00 -0.22 0.00 0.00 54.13 52.61 1kbw s LEU 130 Cb 0.00 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1kbw s LEU 130 CO 0.00 -0.38 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.29 1kbw s TYR 131 N 1.35 2.91 0.21 5.38 1.51 -0.04 -4.66 117.35 124.01 1kbw s TYR 131 Ca -0.00 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 55.89 1kbw s TYR 131 Cb -0.21 -1.59 -0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1kbw s TYR 131 CO 0.01 0.41 0.60 0.42 -1.11 0.00 0.00 175.55 175.88 1kbw s ILE 132 N -1.08 4.82 -0.01 2.71 1.09 -1.26 0.64 121.20 128.11 1kbw s ILE 132 Ca 0.19 0.78 0.03 0.00 -1.10 0.00 0.00 60.65 60.55 1kbw s ILE 132 Cb -0.11 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.59 1kbw s ILE 132 CO 0.10 0.07 -0.10 -0.72 -0.10 0.00 0.00 174.94 174.19 1kbw s TYR 133 N -1.67 0.94 0.19 3.97 -0.85 -0.01 -1.34 117.35 118.59 1kbw s TYR 133 Ca 0.44 -0.19 -0.13 0.00 -0.52 0.00 0.00 57.07 56.66 1kbw s TYR 133 Cb -0.13 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.60 1kbw s TYR 133 CO 0.20 -0.03 0.42 -3.38 -1.52 0.00 0.00 175.55 171.23 1kbw s HIS 134 N -0.15 0.15 0.37 -3.49 -3.43 -0.58 -0.55 115.29 107.62 1kbw s HIS 134 Ca 0.02 -0.50 -0.26 0.00 -0.80 0.00 0.00 55.06 53.52 1kbw s HIS 134 Cb -0.05 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 31.19 1kbw s HIS 134 CO -0.00 -0.84 1.12 0.00 -2.00 0.00 0.00 174.74 173.02 1kbw n ALA 136 N 0.30 3.28 -2.31 0.00 0.00 -1.26 -4.54 120.51 115.98 1kbw n ALA 136 Ca 0.03 -2.98 -0.39 0.00 0.00 0.00 0.00 53.44 50.11 1kbw n ALA 136 Cb 0.47 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.44 4.77 0.21 0.00 1.01 -1.26 -4.80 120.40 117.89 1kbw s VAL 137 Ca 0.37 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 1kbw s VAL 137 Cb 0.38 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1kbw s VAL 137 CO -0.08 0.54 1.34 0.00 0.00 0.00 0.00 175.10 176.89 1kbw s ALA 138 N -0.98 3.55 -0.26 5.51 0.00 -1.26 -2.09 121.76 126.22 1kbw s ALA 138 Ca 0.29 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.13 1kbw s ALA 138 Cb -0.19 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1kbw s ALA 138 CO 0.19 -0.58 1.02 -1.25 0.00 0.00 0.00 175.76 175.13 1kbw s PRO 139 N -0.22 4.18 0.22 0.00 0.04 -1.26 -5.04 135.00 132.92 1kbw s PRO 139 Ca 0.57 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1kbw s PRO 139 Cb -0.38 -3.68 0.29 0.00 0.04 0.00 0.00 34.50 30.78 1kbw s PRO 139 CO 0.40 -0.71 1.63 0.28 0.04 0.00 0.00 177.00 178.64 1kbw h VAL 140 N 5.55 0.38 -0.79 -0.36 2.07 -1.73 -1.40 116.25 119.96 1kbw h VAL 140 Ca -0.20 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1kbw h VAL 140 Cb 1.06 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1kbw h VAL 140 CO 0.98 0.01 0.52 1.23 0.02 0.00 0.00 177.57 180.33 1kbw h GLY 141 N 0.04 1.09 1.03 2.17 0.00 -1.93 -1.76 103.07 103.71 1kbw h GLY 141 Ca 0.33 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1kbw h GLY 141 CO -0.64 0.26 -0.15 1.98 0.00 0.00 0.00 176.54 177.99 1kbw h MET 142 N 0.86 0.87 -0.52 4.80 -1.53 -1.61 0.12 114.93 117.92 1kbw h MET 142 Ca 0.34 -0.36 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 1kbw h MET 142 Cb 0.23 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 1kbw h MET 142 CO -0.12 1.00 0.04 0.45 0.14 0.00 0.00 176.91 178.42 1kbw h HIS 143 N 0.70 0.90 -0.05 1.39 3.86 -1.14 -1.27 115.15 119.55 1kbw h HIS 143 Ca 0.10 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1kbw h HIS 143 Cb 0.70 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1kbw h HIS 143 CO 0.05 0.80 -0.08 0.82 0.86 0.00 0.00 177.93 180.38 1kbw h ILE 144 N 0.80 1.42 -0.63 2.45 2.04 -1.17 -2.84 117.51 119.58 1kbw h ILE 144 Ca 0.16 -1.38 0.10 0.00 1.00 0.00 0.00 64.86 64.74 1kbw h ILE 144 Cb 0.42 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1kbw h ILE 144 CO 0.01 0.38 0.42 0.00 0.00 0.00 0.00 178.15 178.96 1kbw h ALA 145 N 0.48 1.97 0.00 1.87 0.00 -0.61 -0.13 119.26 122.84 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 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1kbw h ALA 145 CO 0.02 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1kbw n ASN 146 N -4.48 0.00 0.00 0.00 3.02 -0.49 -4.81 115.26 108.50 1kbw n ASN 146 Ca 0.10 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1kbw n ASN 146 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.56 1.11 3.40 7.41 0.00 -0.06 -1.28 105.19 116.33 1kbw n GLY 147 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 3.28 -3.52 1.61 2.81 -1.07 -4.66 117.12 114.27 1kbw n MET 148 Ca 0.00 -3.49 -0.12 0.00 -1.81 0.00 0.00 57.70 52.28 1kbw n MET 148 Cb 0.00 -3.24 -0.04 0.00 -0.71 0.00 0.00 33.22 29.24 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 2.67 -0.42 0.09 2.03 -0.85 -1.26 -1.84 117.35 117.77 1kbw s TYR 149 Ca 0.47 0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 57.21 1kbw s TYR 149 Cb 0.02 0.42 0.03 0.00 0.38 0.00 0.00 41.96 42.81 1kbw s TYR 149 CO 0.03 -0.75 0.37 0.41 -1.52 0.00 0.00 175.55 174.09 1kbw n GLY 150 N -0.11 1.18 3.23 5.49 0.00 0.29 -0.57 105.19 114.69 1kbw n GLY 150 Ca -0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 2.06 -0.18 0.99 1.43 -1.26 -0.83 118.68 120.90 1kbw s LEU 151 Ca 0.08 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1kbw s LEU 151 Cb -0.01 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1kbw s LEU 151 CO 0.03 0.24 -0.18 -0.51 0.23 0.00 0.00 176.35 176.16 1kbw s ILE 152 N -0.54 1.95 -0.25 -0.59 2.07 0.21 -2.29 121.20 121.76 1kbw s ILE 152 Ca 0.08 -0.94 -0.16 0.00 -1.41 0.00 0.00 60.65 58.22 1kbw s ILE 152 Cb -0.08 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.66 1kbw s ILE 152 CO -0.00 0.46 0.41 -0.22 -1.91 0.00 0.00 174.94 173.68 1kbw s LEU 153 N 1.32 4.07 -0.54 8.50 2.96 0.65 -0.86 118.68 134.77 1kbw s LEU 153 Ca 0.04 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1kbw s LEU 153 Cb -0.14 -2.51 0.14 0.00 0.50 0.00 0.00 46.19 44.19 1kbw s LEU 153 CO -0.12 -0.18 0.39 -0.69 -1.32 0.00 0.00 176.35 174.43 1kbw s VAL 154 N 1.94 4.09 0.63 1.68 1.01 0.28 -1.10 120.40 128.92 1kbw s VAL 154 Ca 0.17 -2.20 -0.18 0.00 0.00 0.00 0.00 61.98 59.78 1kbw s VAL 154 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1kbw s VAL 154 CO 0.09 -0.82 1.25 -1.61 0.00 0.00 0.00 175.10 174.01 1kbw s GLU 155 N 0.84 2.71 0.73 2.72 2.02 0.49 -0.46 118.70 127.75 1kbw s GLU 155 Ca 0.10 1.93 -0.12 0.00 0.02 0.00 0.00 54.97 56.91 1kbw s GLU 155 Cb -0.22 -1.88 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1kbw s GLU 155 CO -0.03 -1.44 1.09 -2.14 0.02 0.00 0.00 175.26 172.76 1kbw s PRO 156 N -3.40 2.49 0.22 0.39 0.02 -1.26 -0.30 135.00 133.16 1kbw s PRO 156 Ca 0.80 1.18 -0.14 0.00 0.02 0.00 0.00 61.00 62.86 1kbw s PRO 156 Cb -0.34 -1.92 0.25 0.00 0.02 0.00 0.00 34.50 32.51 1kbw s PRO 156 CO 0.37 -1.46 1.61 0.87 -0.33 0.00 0.00 177.00 178.06 1kbw h LYS 157 N -0.79 -0.03 0.00 5.54 1.79 -1.95 0.29 116.57 121.42 1kbw h LYS 157 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1kbw h LYS 157 Cb 1.23 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1kbw h LYS 157 CO 0.53 -0.02 0.00 0.39 -1.08 0.00 0.00 179.45 179.27 1kbw n GLU 158 N -5.47 0.25 -0.09 3.15 4.71 -1.26 -4.95 120.64 116.98 1kbw n GLU 158 Ca 0.08 0.09 0.01 0.00 -0.01 0.00 0.00 57.16 57.33 1kbw n GLU 158 Cb 0.36 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.29 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 0.63 -1.91 3.94 0.62 0.00 0.10 -4.95 105.19 103.61 1kbw n GLY 159 Ca 0.09 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.83 4.33 0.41 0.99 1.43 -1.26 -4.70 118.68 115.05 1kbw s LEU 160 Ca 0.00 0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 1kbw s LEU 160 Cb 0.00 -2.95 -0.11 0.00 0.03 0.00 0.00 46.19 43.16 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 -0.39 1.58 -1.92 1.29 -0.02 -1.26 -4.92 135.00 129.36 1kbw n PRO 161 Ca -0.06 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 1kbw n PRO 161 Cb 0.53 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.04 3.22 0.05 -0.52 -0.14 -1.26 -5.03 119.74 114.02 1kbw s LYS 162 Ca 0.62 2.06 -0.02 0.00 -1.36 0.00 0.00 55.97 57.26 1kbw s LYS 162 Cb -0.55 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1kbw s LYS 162 CO 0.58 -1.08 0.01 0.08 -0.76 0.00 0.00 175.35 174.18 1kbw s VAL 163 N -1.41 0.20 -0.04 3.17 1.01 -1.26 -5.08 120.40 116.98 1kbw s VAL 163 Ca 0.71 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1kbw s VAL 163 Cb -0.36 -1.38 -0.22 0.00 0.00 0.00 0.00 36.38 34.42 1kbw s VAL 163 CO 0.42 -0.89 1.07 0.44 0.00 0.00 0.00 175.10 176.14 1kbw h ASP 164 N 3.21 0.19 -4.18 3.32 3.32 -1.79 -3.46 116.42 117.02 1kbw h ASP 164 Ca -0.34 -0.72 -0.39 0.00 0.02 0.00 0.00 57.03 55.60 1kbw h ASP 164 Cb 1.16 -0.06 -0.27 0.00 0.22 0.00 0.00 39.33 40.38 1kbw h ASP 164 CO 0.62 0.88 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.71 1kbw s LYS 165 N -3.34 0.74 -0.05 3.56 1.02 -0.92 -5.00 119.74 115.76 1kbw s LYS 165 Ca -0.16 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.40 1kbw s LYS 165 Cb 0.01 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1kbw s LYS 165 CO 0.73 0.18 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.97 1kbw s GLU 166 N -0.57 1.76 0.04 1.68 2.02 -1.26 -0.50 118.70 121.88 1kbw s GLU 166 Ca 0.01 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.50 1kbw s GLU 166 Cb -0.05 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 1kbw s GLU 166 CO 0.00 0.19 -0.18 -0.06 0.02 0.00 0.00 175.26 175.24 1kbw s PHE 167 N 0.17 1.56 -0.37 1.61 0.40 -0.52 -4.34 117.98 116.49 1kbw s PHE 167 Ca -0.06 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1kbw s PHE 167 Cb -0.12 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.51 1kbw s PHE 167 CO 0.03 0.07 0.19 -0.47 0.70 0.00 0.00 175.22 175.74 1kbw s TYR 168 N -0.84 3.24 -0.07 0.36 5.04 0.18 -0.96 117.35 124.30 1kbw s TYR 168 Ca 0.05 -0.98 0.01 0.00 -2.44 0.00 0.00 57.07 53.71 1kbw s TYR 168 Cb -0.08 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.82 1kbw s TYR 168 CO 0.02 -0.64 -0.10 0.42 -1.34 0.00 0.00 175.55 173.91 1kbw s ILE 169 N 1.54 1.01 -0.08 3.14 1.09 -0.77 -3.55 121.20 123.59 1kbw s ILE 169 Ca 0.02 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 1kbw s ILE 169 Cb -0.19 -0.96 0.02 0.00 -1.06 0.00 0.00 42.46 40.27 1kbw s ILE 169 CO 0.06 0.34 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.49 1kbw s VAL 170 N 0.96 0.78 0.27 2.92 1.01 -1.26 -0.27 120.40 124.82 1kbw s VAL 170 Ca -0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1kbw s VAL 170 Cb -0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1kbw s VAL 170 CO 0.00 0.30 0.58 -1.58 0.00 0.00 0.00 175.10 174.40 1kbw s GLN 171 N 1.32 3.73 -0.17 2.72 0.74 0.65 -0.64 119.66 128.01 1kbw s GLN 171 Ca -0.04 0.18 -0.28 0.00 0.05 0.00 0.00 55.36 55.28 1kbw s GLN 171 Cb -0.14 -2.62 0.07 0.00 1.10 0.00 0.00 33.01 31.43 1kbw s GLN 171 CO -0.03 0.23 0.70 0.20 -0.55 0.00 0.00 175.29 175.84 1kbw s GLY 172 N -2.79 -0.55 -0.16 2.59 0.00 -0.51 -1.04 107.32 104.86 1kbw s GLY 172 Ca 0.46 1.69 -0.08 0.00 0.00 0.00 0.00 44.72 46.79 1kbw s GLY 172 CO 0.26 1.37 0.10 0.51 0.00 0.00 0.00 173.10 175.34 1kbw s ASP 173 N -0.35 6.00 -0.05 1.64 1.47 0.28 -1.57 116.67 124.09 1kbw s ASP 173 Ca -0.05 0.25 0.04 0.00 1.18 0.00 0.00 52.55 53.97 1kbw s ASP 173 Cb -0.03 -1.99 -0.02 0.00 -0.34 0.00 0.00 42.92 40.54 1kbw s ASP 173 CO 0.05 0.26 -0.16 -0.36 0.68 0.00 0.00 175.17 175.64 1kbw s PHE 174 N -0.15 2.64 -0.34 2.11 0.08 0.28 -4.25 117.98 118.36 1kbw s PHE 174 Ca 0.09 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 1kbw s PHE 174 Cb -0.12 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1kbw s PHE 174 CO 0.01 0.15 0.08 0.71 -0.10 0.00 0.00 175.22 176.07 1kbw s TYR 175 N -0.70 3.30 -0.09 0.36 1.51 -1.26 -1.29 117.35 119.18 1kbw s TYR 175 Ca 0.11 -1.71 -0.02 0.00 -1.01 0.00 0.00 57.07 54.45 1kbw s TYR 175 Cb -0.11 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1kbw s TYR 175 CO 0.00 -0.79 -0.01 0.99 -1.11 0.00 0.00 175.55 174.63 1kbw s THR 176 N 1.32 4.20 0.10 -0.71 2.01 -1.26 -1.61 115.64 119.68 1kbw s THR 176 Ca -0.02 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 1kbw s THR 176 Cb -0.20 -2.76 -0.11 0.00 0.01 0.00 0.00 72.50 69.44 1kbw s THR 176 CO 0.01 0.60 1.72 0.50 -0.69 0.00 0.00 174.62 176.75 1kbw h LYS 177 N 5.25 -0.07 -7.49 4.92 3.64 -1.62 -3.42 116.57 117.78 1kbw h LYS 177 Ca -0.49 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 1kbw h LYS 177 Cb 1.19 0.02 0.09 0.00 -0.41 0.00 0.00 32.23 33.11 1kbw h LYS 177 CO 0.54 -0.05 0.40 0.20 -2.27 0.00 0.00 179.45 178.28 1kbw s GLY 178 N -2.34 1.62 0.54 5.01 0.00 -1.26 -5.04 107.32 105.85 1kbw s GLY 178 Ca -0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1kbw s GLY 178 CO 0.67 0.02 0.86 -1.59 0.00 0.00 0.00 173.10 173.06 1kbw s LYS 179 N -5.37 3.34 -0.20 2.90 -2.85 -1.26 -4.90 119.74 111.41 1kbw s LYS 179 Ca 0.59 0.22 -0.42 0.00 -1.00 0.00 0.00 55.97 55.36 1kbw s LYS 179 Cb -0.12 -2.29 -0.20 0.00 -2.06 0.00 0.00 37.83 33.17 1kbw s LYS 179 CO 0.52 -0.43 1.33 1.17 0.10 0.00 0.00 175.35 178.03 1kbw n LYS 180 N -2.45 0.15 0.00 1.78 0.00 -1.26 -0.98 118.16 115.39 1kbw n LYS 180 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1kbw n LYS 180 Cb 0.56 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 34.01 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 2.66 2.52 3.68 3.14 0.00 -1.26 -5.04 105.19 110.89 1kbw n GLY 181 Ca 0.24 -0.28 -0.50 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.59 -1.29 4.61 0.00 -0.16 -4.91 120.51 119.36 1kbw n ALA 182 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1kbw n ALA 182 Cb 0.00 -2.38 0.10 0.00 0.00 0.00 0.00 19.45 17.17 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 3.13 2.03 0.07 0.00 -1.52 -1.26 -4.75 119.66 117.36 1kbw s GLN 183 Ca 0.91 1.03 0.00 0.00 -1.95 0.00 0.00 55.36 55.35 1kbw s GLN 183 Cb -0.79 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1kbw s GLN 183 CO 0.52 -1.76 0.00 0.41 -0.25 0.00 0.00 175.29 174.21 1kbw n GLY 184 N -1.30 -3.31 3.63 3.09 0.00 -0.09 -4.86 105.19 102.35 1kbw n GLY 184 Ca 0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 3.90 -0.26 0.99 2.96 -1.26 -1.13 118.68 123.88 1kbw s LEU 185 Ca 0.00 1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 55.16 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 -1.12 0.21 -1.10 -1.32 0.00 0.00 176.35 173.02 1kbw s GLN 186 N 4.29 4.02 0.70 1.98 -1.52 0.66 -4.93 119.66 124.85 1kbw s GLN 186 Ca 0.61 -0.23 -0.11 0.00 -1.95 0.00 0.00 55.36 53.68 1kbw s GLN 186 Cb -0.20 -3.60 0.01 0.00 -0.22 0.00 0.00 33.01 29.00 1kbw s GLN 186 CO 0.25 -0.09 1.06 -2.14 -0.25 0.00 0.00 175.29 174.12 1kbw s PRO 187 N 1.49 2.87 0.30 2.91 0.02 -1.26 -4.42 135.00 136.91 1kbw s PRO 187 Ca 0.09 0.94 -0.29 0.00 0.02 0.00 0.00 61.00 61.76 1kbw s PRO 187 Cb -0.15 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 1kbw s PRO 187 CO 0.08 -1.14 1.22 0.12 -0.33 0.00 0.00 177.00 176.94 1kbw s PHE 188 N -3.05 3.29 -0.39 6.54 5.36 -1.26 -1.75 117.98 126.72 1kbw s PHE 188 Ca 0.58 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 58.06 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 -1.29 0.16 0.34 -1.46 0.00 0.00 175.22 173.52 1kbw s ASP 189 N -0.60 5.14 0.27 6.13 -1.08 -0.64 -4.69 116.67 121.20 1kbw s ASP 189 Ca 0.47 -1.98 -0.01 0.00 -0.52 0.00 0.00 52.55 50.51 1kbw s ASP 189 Cb -0.36 -1.79 0.47 0.00 -1.46 0.00 0.00 42.92 39.78 1kbw s ASP 189 CO 0.47 -0.49 1.86 -0.03 0.52 0.00 0.00 175.17 177.49 1kbw h MET 190 N 7.97 1.04 -0.64 4.34 1.85 -1.94 -2.38 114.93 125.16 1kbw h MET 190 Ca -0.12 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 58.82 1kbw h MET 190 Cb 1.04 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.82 1kbw h MET 190 CO 0.65 0.69 0.08 -0.44 -0.40 0.00 0.00 176.91 177.49 1kbw h ASP 191 N 1.07 1.03 -0.01 1.39 3.32 -1.99 -1.28 116.42 119.95 1kbw h ASP 191 Ca 0.46 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1kbw h ASP 191 Cb 0.32 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1kbw h ASP 191 CO -0.22 1.04 -0.43 0.11 -1.72 0.00 0.00 179.24 178.03 1kbw h LYS 192 N 0.98 0.53 0.39 3.56 1.57 -1.83 -2.08 116.57 119.70 1kbw h LYS 192 Ca 0.19 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1kbw h LYS 192 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1kbw h LYS 192 CO 0.02 0.86 -0.19 0.00 -0.57 0.00 0.00 179.45 179.57 1kbw h ALA 193 N 1.10 -0.53 -0.25 3.86 0.00 -1.14 0.98 119.26 123.29 1kbw h ALA 193 Ca 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1kbw h ALA 193 Cb 0.92 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1kbw h ALA 193 CO 0.08 -0.79 0.17 0.28 0.00 0.00 0.00 179.25 178.99 1kbw h VAL 194 N -0.54 1.00 -0.01 0.00 2.07 -1.18 -0.22 116.25 117.37 1kbw h VAL 194 Ca -0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1kbw h VAL 194 Cb 0.41 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1kbw h VAL 194 CO 0.09 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.55 1kbw n ALA 195 N -2.53 2.89 -3.37 1.67 0.00 -0.79 -4.95 120.51 113.44 1kbw n ALA 195 Ca 0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 1kbw n ALA 195 Cb 0.16 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.78 -6.47 -3.87 0.00 1.02 0.19 -4.98 120.64 105.75 1kbw n GLU 196 Ca 0.14 0.71 -0.28 0.00 -0.02 0.00 0.00 57.16 57.71 1kbw n GLU 196 Cb 0.31 -5.38 -0.12 0.00 -0.02 0.00 0.00 31.44 26.23 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 -5.84 2.38 0.62 3.49 -1.52 -0.30 -5.02 119.66 113.46 1kbw s GLN 197 Ca 0.35 -3.28 -0.14 0.00 -1.95 0.00 0.00 55.36 50.34 1kbw s GLN 197 Cb -0.16 -3.31 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 1kbw s GLN 197 CO 0.62 -1.29 1.05 -1.25 -0.25 0.00 0.00 175.29 174.17 1kbw s PRO 198 N -1.38 3.24 -0.17 2.91 0.04 -1.26 -4.72 135.00 133.65 1kbw s PRO 198 Ca 0.25 1.12 0.11 0.00 0.04 0.00 0.00 61.00 62.53 1kbw s PRO 198 Cb -0.04 -2.02 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1kbw s PRO 198 CO -0.17 -0.87 0.15 0.39 0.04 0.00 0.00 177.00 176.54 1kbw n GLU 199 N -2.33 0.68 -4.81 4.56 -0.58 -0.41 -4.92 120.64 112.83 1kbw n GLU 199 Ca 0.08 0.11 -0.26 0.00 -0.42 0.00 0.00 57.16 56.67 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 -2.52 1.71 -0.22 -0.32 1.51 -1.05 -4.59 117.35 111.86 1kbw s TYR 200 Ca -0.15 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1kbw s TYR 200 Cb 0.07 -1.17 0.06 0.00 -0.11 0.00 0.00 41.96 40.81 1kbw s TYR 200 CO 0.77 -0.20 -0.02 0.08 -1.11 0.00 0.00 175.55 175.07 1kbw s VAL 201 N 0.17 1.19 0.26 0.71 1.01 -0.56 0.10 120.40 123.27 1kbw s VAL 201 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1kbw s VAL 201 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1kbw s VAL 201 CO 0.03 -0.13 0.02 0.68 0.00 0.00 0.00 175.10 175.70 1kbw s VAL 202 N 1.55 1.01 -0.17 2.92 -7.23 -0.61 0.44 120.40 118.31 1kbw s VAL 202 Ca -0.04 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 1kbw s VAL 202 Cb -0.18 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1kbw s VAL 202 CO -0.07 -0.20 0.04 -0.36 -0.31 0.00 0.00 175.10 174.19 1kbw s PHE 203 N -3.44 3.20 -1.23 2.82 0.08 -1.26 -1.42 117.98 116.74 1kbw s PHE 203 Ca 0.32 0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.34 1kbw s PHE 203 Cb 0.07 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1kbw s PHE 203 CO 0.11 0.15 0.81 0.09 -0.10 0.00 0.00 175.22 176.28 1kbw n ASN 204 N 3.38 -2.62 0.00 1.36 5.03 0.19 -3.94 115.26 118.66 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 -4.39 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 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 -1.44 0.62 3.13 7.41 0.00 -1.20 -4.64 105.19 109.08 1kbw n GLY 205 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 0.28 0.13 1.61 3.76 -1.25 -4.88 115.29 114.26 1kbw s HIS 206 Ca 0.00 -0.70 -0.31 0.00 -0.15 0.00 0.00 55.06 53.91 1kbw s HIS 206 Cb 0.00 -0.19 -0.07 0.00 1.11 0.00 0.00 32.58 33.42 1kbw s HIS 206 CO 0.00 -0.42 1.30 0.08 -0.85 0.00 0.00 174.74 174.85 1kbw s VAL 207 N -3.35 3.52 0.00 -0.90 1.01 0.53 -2.55 120.40 118.65 1kbw s VAL 207 Ca 0.01 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.13 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 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1kbw n GLY 208 N 3.02 0.85 0.37 4.51 0.00 -1.26 -4.79 105.19 107.89 1kbw n GLY 208 Ca 0.09 0.00 0.19 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 2.29 -0.20 4.61 0.00 -1.73 -1.75 119.26 122.47 1kbw h ALA 209 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1kbw h ALA 209 Cb 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.66 1kbw h ALA 209 CO 0.00 -0.57 -0.65 1.28 0.00 0.00 0.00 179.25 179.30 1kbw n LEU 210 N -4.15 3.06 -4.27 0.00 4.77 -1.26 -4.78 117.00 110.38 1kbw n LEU 210 Ca 0.07 -3.91 -0.14 0.00 -0.03 0.00 0.00 56.01 52.00 1kbw n LEU 210 Cb 0.55 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1kbw n LEU 210 CO 0.33 1.48 -0.26 -0.89 -1.33 0.00 0.00 177.39 176.73 1kbw s THR 211 N -3.30 0.35 0.00 -5.08 2.01 -0.66 0.50 115.64 109.47 1kbw s THR 211 Ca 0.40 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.41 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 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 1kbw n GLY 212 N -0.37 3.64 0.16 4.40 0.00 -1.26 -0.38 105.19 111.38 1kbw n GLY 212 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.59 116.42 117.23 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 -2.30 3.63 -4.74 6.45 3.02 0.49 -5.00 115.26 116.80 1kbw n ASN 214 Ca -0.00 -1.98 -0.38 0.00 -0.03 0.00 0.00 54.58 52.18 1kbw n ASN 214 Cb 0.11 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.43 1.57 -1.53 5.41 0.00 -0.60 -3.89 120.51 122.90 1kbw n ALA 215 Ca 0.21 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1kbw n ALA 215 Cb 0.58 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 -3.51 3.34 0.01 0.00 1.43 0.13 -4.84 118.68 115.24 1kbw s LEU 216 Ca 0.72 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.72 1kbw s LEU 216 Cb -0.41 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.26 1kbw s LEU 216 CO 0.49 -1.52 -0.10 -0.54 0.23 0.00 0.00 176.35 174.91 1kbw s LYS 217 N -4.32 0.74 0.19 1.70 1.02 -1.26 -0.56 119.74 117.26 1kbw s LYS 217 Ca 0.64 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 1kbw s LYS 217 Cb -0.18 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 1kbw s LYS 217 CO 0.44 0.18 0.40 0.00 -0.92 0.00 0.00 175.35 175.46 1kbw s ALA 218 N -0.42 -0.34 0.05 5.17 0.00 -0.78 -4.96 121.76 120.48 1kbw s ALA 218 Ca 0.02 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1kbw s ALA 218 Cb -0.05 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1kbw s ALA 218 CO -0.00 -0.75 -0.10 0.15 0.00 0.00 0.00 175.76 175.06 1kbw s LYS 219 N -3.95 2.30 0.24 0.00 1.02 -1.26 -1.87 119.74 116.22 1kbw s LYS 219 Ca 0.16 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1kbw s LYS 219 Cb 0.01 -2.37 -0.14 0.00 -0.52 0.00 0.00 37.83 34.81 1kbw s LYS 219 CO 0.01 0.55 1.23 0.00 -0.92 0.00 0.00 175.35 176.23 1kbw n ALA 220 N 1.21 0.26 0.00 5.17 0.00 0.44 -1.82 120.51 125.77 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 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.76 2.13 3.81 0.00 0.00 0.28 -4.96 105.19 108.20 1kbw n GLY 221 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.90 4.15 -0.17 1.61 2.02 -0.76 -4.79 118.70 119.88 1kbw s GLU 222 Ca 0.00 1.23 -0.15 0.00 0.02 0.00 0.00 54.97 56.08 1kbw s GLU 222 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1kbw s GLU 222 CO 0.00 -0.11 0.33 0.99 0.02 0.00 0.00 175.26 176.49 1kbw s THR 223 N -2.03 5.28 -0.10 3.63 2.01 -1.26 -1.34 115.64 121.83 1kbw s THR 223 Ca 0.62 0.60 0.01 0.00 0.31 0.00 0.00 61.69 63.23 1kbw s THR 223 Cb -0.13 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1kbw s THR 223 CO 0.17 0.35 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1kbw s VAL 224 N 0.66 3.11 -0.13 3.82 1.01 0.12 -2.00 120.40 126.98 1kbw s VAL 224 Ca 0.18 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1kbw s VAL 224 Cb -0.13 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1kbw s VAL 224 CO 0.05 0.55 -0.18 -0.60 0.00 0.00 0.00 175.10 174.92 1kbw s ARG 225 N -0.03 3.17 -0.16 2.72 3.52 0.35 -1.28 118.95 127.24 1kbw s ARG 225 Ca -0.03 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1kbw s ARG 225 Cb -0.14 -2.51 -0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1kbw s ARG 225 CO 0.04 0.09 -0.14 -1.64 -0.81 0.00 0.00 175.30 172.84 1kbw s MET 226 N 0.61 3.24 -0.57 5.12 -1.94 0.46 -1.44 119.30 124.78 1kbw s MET 226 Ca -0.10 -0.73 -0.21 0.00 -1.71 0.00 0.00 55.69 52.94 1kbw s MET 226 Cb -0.16 -2.67 0.07 0.00 2.01 0.00 0.00 34.83 34.08 1kbw s MET 226 CO 0.03 -0.00 0.78 0.71 -0.01 0.00 0.00 175.02 176.53 1kbw s TYR 227 N 0.88 2.91 -0.31 -0.03 1.51 -0.13 -2.05 117.35 120.13 1kbw s TYR 227 Ca -0.04 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.39 1kbw s TYR 227 Cb -0.15 -3.91 -0.02 0.00 -0.11 0.00 0.00 41.96 37.77 1kbw s TYR 227 CO -0.01 -1.29 0.18 0.08 -1.11 0.00 0.00 175.55 173.41 1kbw s VAL 228 N 3.21 4.99 0.17 0.71 1.01 -0.28 -1.85 120.40 128.37 1kbw s VAL 228 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1kbw s VAL 228 Cb -0.18 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1kbw s VAL 228 CO 0.12 0.12 0.01 -0.83 0.00 0.00 0.00 175.10 174.52 1kbw s GLY 229 N 1.69 1.74 -0.39 4.51 0.00 0.62 -1.19 107.32 114.29 1kbw s GLY 229 Ca 0.06 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1kbw s GLY 229 CO 0.09 -1.36 0.17 0.21 0.00 0.00 0.00 173.10 172.21 1kbw s ASN 230 N -2.93 3.94 0.47 1.64 2.47 -0.49 -0.25 114.94 119.79 1kbw s ASN 230 Ca 0.28 -2.28 0.31 0.00 0.42 0.00 0.00 52.86 51.59 1kbw s ASN 230 Cb -0.09 -1.09 1.35 0.00 -1.45 0.00 0.00 41.25 39.96 1kbw s ASN 230 CO 0.19 -0.33 1.93 1.23 -3.72 0.00 0.00 177.10 176.40 1kbw h GLY 231 N 7.25 0.00 0.00 1.21 0.00 -1.37 0.31 103.07 110.47 1kbw h GLY 231 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1kbw h GLY 231 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1kbw n GLY 232 N -0.14 0.32 0.29 4.60 0.00 -1.25 -4.34 105.19 104.68 1kbw n GLY 232 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 0.78 0.00 1.61 0.11 -1.86 0.81 132.00 133.44 1kbw h PRO 233 Ca 0.00 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 1kbw h PRO 233 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.90 1kbw h PRO 233 CO 0.00 0.51 -1.80 0.09 -0.21 0.00 0.00 178.00 176.60 1kbw n ASN 234 N -4.73 2.30 -4.80 -2.05 3.02 -1.26 -4.79 115.26 102.96 1kbw n ASN 234 Ca 0.12 -0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.31 1kbw n ASN 234 Cb 0.22 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 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 -5.05 3.78 -0.17 3.41 1.43 -1.26 -4.86 118.68 115.97 1kbw s LEU 235 Ca -0.08 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1kbw s LEU 235 Cb 0.04 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1kbw s LEU 235 CO 0.44 -0.83 -0.04 -0.69 0.23 0.00 0.00 176.35 175.47 1kbw s VAL 236 N -2.08 3.80 -0.05 -1.59 1.01 -1.26 -4.14 120.40 116.08 1kbw s VAL 236 Ca 0.66 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1kbw s VAL 236 Cb -0.16 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1kbw s VAL 236 CO 0.23 0.48 0.29 -0.55 0.00 0.00 0.00 175.10 175.55 1kbw s SER 237 N 0.55 6.63 -1.03 3.32 0.15 -0.84 -4.91 113.70 117.57 1kbw s SER 237 Ca -0.03 0.75 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 1kbw s SER 237 Cb -0.14 -2.17 0.29 0.00 -1.71 0.00 0.00 66.02 62.28 1kbw s SER 237 CO 0.03 0.35 1.28 -1.20 1.20 0.00 0.00 173.24 174.89 1kbw n SER 238 N 1.95 5.79 -4.73 5.45 7.64 -1.26 -0.29 113.62 128.18 1kbw n SER 238 Ca -0.16 -3.32 -0.42 0.00 1.01 0.00 0.00 58.87 55.98 1kbw n SER 238 Cb 0.53 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.63 2.77 -3.62 1.43 7.35 0.55 0.15 117.46 127.72 1kbw n PHE 239 Ca 0.26 0.21 -0.15 0.00 -0.76 0.00 0.00 57.45 57.01 1kbw n PHE 239 Cb 0.35 -2.61 -0.07 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 0.30 -0.42 -0.24 -5.13 5.65 -0.85 -1.39 115.29 113.21 1kbw s HIS 240 Ca 0.67 0.62 0.02 0.00 0.25 0.00 0.00 55.06 56.63 1kbw s HIS 240 Cb -0.51 0.29 0.05 0.00 -1.18 0.00 0.00 32.58 31.23 1kbw s HIS 240 CO 0.44 -0.56 -0.11 0.08 -0.65 0.00 0.00 174.74 173.94 1kbw s VAL 241 N -1.70 2.03 0.09 0.89 1.01 -1.26 -1.03 120.40 120.43 1kbw s VAL 241 Ca -0.10 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.14 1kbw s VAL 241 Cb -0.02 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 1kbw s VAL 241 CO 0.04 0.05 1.86 -0.63 0.00 0.00 0.00 175.10 176.42 1kbw s ILE 242 N 1.19 2.76 0.00 2.22 1.01 0.12 -1.72 121.20 126.78 1kbw s ILE 242 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1kbw s ILE 242 Cb -0.19 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1kbw s ILE 242 CO -0.06 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1kbw n GLY 243 N 4.32 0.68 3.22 6.18 0.00 -1.26 -3.46 105.19 114.87 1kbw n GLY 243 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.77 1.13 -0.01 1.61 2.56 -0.70 -5.08 118.70 117.45 1kbw s GLU 244 Ca 0.00 -1.51 0.04 0.00 0.00 0.00 0.00 54.97 53.50 1kbw s GLU 244 Cb 0.00 0.28 -0.01 0.00 2.00 0.00 0.00 34.13 36.40 1kbw s GLU 244 CO 0.00 -0.37 -0.13 0.42 -0.56 0.00 0.00 175.26 174.62 1kbw s ILE 245 N -4.10 1.02 -0.31 -3.70 1.01 -1.26 -4.66 121.20 109.19 1kbw s ILE 245 Ca 0.31 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 1kbw s ILE 245 Cb 0.06 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1kbw s ILE 245 CO 0.08 0.27 1.32 -0.36 0.00 0.00 0.00 174.94 176.25 1kbw s PHE 246 N -0.32 2.64 0.05 3.97 2.99 -0.27 -4.73 117.98 122.30 1kbw s PHE 246 Ca 0.05 0.84 -0.20 0.00 0.00 0.00 0.00 56.93 57.62 1kbw s PHE 246 Cb -0.05 -3.95 -0.13 0.00 0.00 0.00 0.00 43.02 38.89 1kbw s PHE 246 CO -0.00 -1.78 1.39 -0.44 -0.00 0.00 0.00 175.22 174.39 1kbw h ASP 247 N 9.47 0.41 -4.29 1.36 3.32 -1.16 0.10 116.42 125.63 1kbw h ASP 247 Ca -0.26 -0.44 -0.40 0.00 0.02 0.00 0.00 57.03 55.94 1kbw h ASP 247 Cb 1.10 -0.11 -0.26 0.00 0.22 0.00 0.00 39.33 40.28 1kbw h ASP 247 CO 1.04 0.76 -0.78 -0.54 -1.72 0.00 0.00 179.24 178.00 1kbw s LYS 248 N -4.46 0.80 -0.10 3.56 1.02 -0.86 -3.09 119.74 116.62 1kbw s LYS 248 Ca -0.14 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1kbw s LYS 248 Cb 0.06 -0.76 0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1kbw s LYS 248 CO 0.76 0.19 0.06 0.08 -0.92 0.00 0.00 175.35 175.52 1kbw s VAL 249 N -0.70 0.03 -0.73 3.17 1.01 -0.01 -1.24 120.40 121.92 1kbw s VAL 249 Ca 0.01 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1kbw s VAL 249 Cb -0.07 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1kbw s VAL 249 CO 0.01 0.02 1.18 -0.31 0.00 0.00 0.00 175.10 176.00 1kbw s TYR 250 N 2.10 2.43 -0.24 5.22 1.51 0.07 -0.13 117.35 128.31 1kbw s TYR 250 Ca 0.04 -0.27 -0.39 0.00 -1.01 0.00 0.00 57.07 55.44 1kbw s TYR 250 Cb -0.14 -4.52 -0.15 0.00 -0.11 0.00 0.00 41.96 37.05 1kbw s TYR 250 CO -0.06 -1.93 1.79 0.28 -1.11 0.00 0.00 175.55 174.53 1kbw n VAL 251 N 6.24 0.37 -2.07 0.71 0.31 -0.01 -1.12 118.33 122.76 1kbw n VAL 251 Ca 0.02 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1kbw n VAL 251 Cb 0.48 -1.38 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 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 5.76 -1.85 -1.00 5.55 1.02 -1.25 -1.06 120.64 127.82 1kbw n GLU 252 Ca 0.26 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1kbw n GLU 252 Cb 0.17 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 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 -0.63 0.80 0.00 0.62 0.00 -0.27 -4.32 105.19 101.38 1kbw n GLY 253 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 0.46 0.13 -0.02 0.00 -0.22 -3.65 105.19 99.49 1kbw n GLY 254 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 0.05 -6.73 1.61 3.64 -1.93 -3.40 116.57 109.82 1kbw h LYS 255 Ca 0.00 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.81 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 0.70 0.87 -1.17 -2.27 0.00 0.00 179.45 177.58 1kbw s LEU 256 N -7.58 4.36 -0.13 5.20 2.96 -1.26 -4.92 118.68 117.32 1kbw s LEU 256 Ca -0.02 2.80 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 1kbw s LEU 256 Cb 0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1kbw s LEU 256 CO 0.78 -0.85 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.11 1kbw s ILE 257 N 0.41 2.16 0.29 6.68 1.01 -1.26 -0.83 121.20 129.66 1kbw s ILE 257 Ca 0.65 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1kbw s ILE 257 Cb -0.46 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1kbw s ILE 257 CO 0.41 0.55 0.17 0.21 0.00 0.00 0.00 174.94 176.28 1kbw s ASN 258 N 0.63 5.11 0.03 3.58 3.04 0.81 -4.91 114.94 123.24 1kbw s ASN 258 Ca -0.11 -0.49 0.01 0.00 0.04 0.00 0.00 52.86 52.31 1kbw s ASN 258 Cb -0.16 -1.05 -0.02 0.00 -1.54 0.00 0.00 41.25 38.48 1kbw s ASN 258 CO 0.02 -0.17 -0.05 -1.61 -3.04 0.00 0.00 177.10 172.26 1kbw s GLU 259 N -3.85 0.38 -1.03 0.43 2.02 -1.26 -0.83 118.70 114.55 1kbw s GLU 259 Ca 0.36 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 1kbw s GLU 259 Cb -0.06 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 1kbw s GLU 259 CO 0.24 -0.00 0.89 0.09 0.02 0.00 0.00 175.26 176.49 1kbw n ASN 260 N 1.72 -4.97 -4.37 -0.19 5.03 -0.04 -5.01 115.26 107.43 1kbw n ASN 260 Ca -0.22 -0.64 -0.33 0.00 0.87 0.00 0.00 54.58 54.26 1kbw n ASN 260 Cb 0.55 -4.89 -0.14 0.00 -1.02 0.00 0.00 39.78 34.28 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 3.08 0.06 2.41 1.01 -0.83 -4.92 120.40 117.85 1kbw s VAL 261 Ca 0.29 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1kbw s VAL 261 Cb -0.04 -2.30 -0.24 0.00 0.00 0.00 0.00 36.38 33.80 1kbw s VAL 261 CO 0.69 0.52 1.04 0.06 0.00 0.00 0.00 175.10 177.41 1kbw h GLN 262 N 6.75 0.10 -2.42 2.72 3.07 -1.91 -0.71 115.11 122.70 1kbw h GLN 262 Ca -0.26 -0.17 -0.07 0.00 0.09 0.00 0.00 58.65 58.24 1kbw h GLN 262 Cb 1.21 0.06 -0.25 0.00 0.08 0.00 0.00 27.48 28.58 1kbw h GLN 262 CO 0.56 0.96 -0.23 0.45 0.09 0.00 0.00 178.83 180.66 1kbw s SER 263 N -6.72 -0.60 0.17 0.06 0.15 -1.26 -4.38 113.70 101.12 1kbw s SER 263 Ca -0.03 1.11 0.10 0.00 0.70 0.00 0.00 55.95 57.82 1kbw s SER 263 Cb 0.08 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.53 1kbw s SER 263 CO 0.84 -0.22 -0.16 0.42 1.20 0.00 0.00 173.24 175.32 1kbw s THR 264 N 1.89 2.86 -0.00 6.45 -4.23 -0.49 -4.90 115.64 117.21 1kbw s THR 264 Ca -0.07 -1.72 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 1kbw s THR 264 Cb -0.09 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1kbw s THR 264 CO -0.15 -0.05 0.86 -0.63 -0.54 0.00 0.00 174.62 174.11 1kbw s ILE 265 N -1.53 4.87 -0.29 2.99 -1.09 -1.25 -0.33 121.20 124.56 1kbw s ILE 265 Ca 0.22 1.81 0.01 0.00 -2.23 0.00 0.00 60.65 60.46 1kbw s ILE 265 Cb -0.09 -4.20 0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1kbw s ILE 265 CO 0.12 0.23 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.34 1kbw s VAL 266 N 0.71 2.57 0.77 2.92 1.01 0.60 -4.69 120.40 124.30 1kbw s VAL 266 Ca 0.45 -1.64 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1kbw s VAL 266 Cb -0.20 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1kbw s VAL 266 CO 0.24 -0.16 1.12 -2.65 0.00 0.00 0.00 175.10 173.66 1kbw n PRO 267 N 4.50 0.36 -2.06 2.72 -0.02 -1.26 -1.99 135.00 137.25 1kbw n PRO 267 Ca -0.11 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 1kbw n PRO 267 Cb 0.42 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.96 3.55 -1.49 3.55 0.00 -1.26 -0.39 121.76 123.76 1kbw s ALA 268 Ca 0.74 1.30 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1kbw s ALA 268 Cb -0.31 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1kbw s ALA 268 CO 0.50 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1kbw n GLY 269 N 1.30 1.40 0.00 0.00 0.00 0.11 -4.94 105.19 103.06 1kbw n GLY 269 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.61 4.24 3.50 -0.02 0.00 0.47 -4.71 105.19 108.07 1kbw n GLY 270 Ca -0.14 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.16 -1.80 -3.49 1.61 3.41 -1.26 -1.39 113.62 109.54 1kbw n SER 271 Ca 0.00 -2.71 -0.15 0.00 -0.26 0.00 0.00 58.87 55.75 1kbw n SER 271 Cb 0.00 3.13 -0.04 0.00 -0.26 0.00 0.00 64.21 67.04 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 -2.40 -1.73 -0.14 7.33 0.00 -0.34 -1.77 121.76 122.71 1kbw s ALA 272 Ca 0.22 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1kbw s ALA 272 Cb -0.03 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1kbw s ALA 272 CO 0.16 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 175.68 1kbw s ILE 273 N -2.12 1.58 0.03 0.00 1.01 -1.24 -1.12 121.20 119.34 1kbw s ILE 273 Ca -0.06 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1kbw s ILE 273 Cb -0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1kbw s ILE 273 CO 0.01 0.46 -0.26 0.68 0.00 0.00 0.00 174.94 175.83 1kbw s VAL 274 N 1.33 2.18 -0.02 2.92 -7.23 -0.87 -0.75 120.40 117.96 1kbw s VAL 274 Ca 0.02 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1kbw s VAL 274 Cb -0.13 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 1kbw s VAL 274 CO -0.08 0.42 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.42 1kbw s GLU 275 N -1.10 0.94 -0.02 4.82 2.02 -0.38 -0.40 118.70 124.58 1kbw s GLU 275 Ca 0.12 -0.35 -0.24 0.00 0.02 0.00 0.00 54.97 54.51 1kbw s GLU 275 Cb -0.10 -0.88 0.05 0.00 0.10 0.00 0.00 34.13 33.30 1kbw s GLU 275 CO 0.02 0.17 0.54 -0.59 0.02 0.00 0.00 175.26 175.41 1kbw s PHE 276 N -0.03 -0.47 -0.23 1.61 -0.12 -0.40 -0.60 117.98 117.75 1kbw s PHE 276 Ca 0.00 0.72 -0.10 0.00 -0.05 0.00 0.00 56.93 57.51 1kbw s PHE 276 Cb -0.06 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1kbw s PHE 276 CO 0.00 -0.55 0.15 0.21 -0.05 0.00 0.00 175.22 174.97 1kbw s LYS 277 N -1.53 4.10 -0.73 1.99 2.20 -1.26 0.13 119.74 124.64 1kbw s LYS 277 Ca -0.10 -0.26 -0.19 0.00 -0.36 0.00 0.00 55.97 55.06 1kbw s LYS 277 Cb -0.02 -3.49 0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1kbw s LYS 277 CO 0.06 0.13 0.87 0.08 -0.36 0.00 0.00 175.35 176.12 1kbw s VAL 278 N 0.85 4.85 -2.42 4.02 1.01 -0.45 -4.89 120.40 123.37 1kbw s VAL 278 Ca 0.07 -1.30 0.29 0.00 0.00 0.00 0.00 61.98 61.04 1kbw s VAL 278 Cb -0.13 -4.59 0.61 0.00 0.00 0.00 0.00 36.38 32.27 1kbw s VAL 278 CO 0.03 -1.26 1.82 -0.90 0.00 0.00 0.00 175.10 174.79 1kbw n ASP 279 N 6.22 1.25 -3.74 3.32 3.85 -1.26 0.10 116.55 126.29 1kbw n ASP 279 Ca 0.04 -1.42 -0.12 0.00 -0.71 0.00 0.00 54.79 52.58 1kbw n ASP 279 Cb 0.45 -0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.11 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 -2.00 -0.01 0.95 2.12 2.07 -1.26 -4.54 121.20 118.53 1kbw s ILE 280 Ca 0.40 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.55 1kbw s ILE 280 Cb 0.21 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.37 1kbw s ILE 280 CO 0.34 0.01 0.57 -2.65 -1.91 0.00 0.00 174.94 171.30 1kbw n PRO 281 N 3.33 -0.37 0.00 3.50 -0.02 -1.26 -4.93 135.00 135.25 1kbw n PRO 281 Ca -0.17 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1kbw n PRO 281 Cb 0.57 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.23 0.99 3.48 -1.23 0.00 -0.63 -4.96 105.19 104.06 1kbw n GLY 282 Ca 0.08 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.62 5.07 -0.16 1.61 0.01 -1.26 -0.80 114.94 117.79 1kbw s ASN 283 Ca 0.00 -0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1kbw s ASN 283 Cb 0.00 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 1kbw s ASN 283 CO 0.00 0.04 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.24 1kbw s TYR 284 N 1.13 2.91 -0.19 2.20 1.51 -0.00 -4.94 117.35 119.97 1kbw s TYR 284 Ca 0.03 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1kbw s TYR 284 Cb -0.14 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1kbw s TYR 284 CO 0.02 -0.27 -0.03 0.95 -1.11 0.00 0.00 175.55 175.12 1kbw s THR 285 N 0.68 3.77 0.20 -0.71 -4.23 -1.22 0.01 115.64 114.13 1kbw s THR 285 Ca -0.04 -0.38 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1kbw s THR 285 Cb -0.15 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.92 1kbw s THR 285 CO 0.02 0.45 0.81 -0.76 -0.54 0.00 0.00 174.62 174.61 1kbw s LEU 286 N 0.86 4.57 0.17 4.79 1.43 -0.48 -0.70 118.68 129.32 1kbw s LEU 286 Ca -0.00 1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1kbw s LEU 286 Cb -0.14 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1kbw s LEU 286 CO 0.02 0.17 0.36 0.68 0.23 0.00 0.00 176.35 177.81 1kbw s VAL 287 N -1.22 0.06 -0.26 -1.59 -7.23 -0.19 -1.48 120.40 108.48 1kbw s VAL 287 Ca 0.38 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 1kbw s VAL 287 Cb -0.23 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1kbw s VAL 287 CO 0.27 -0.25 0.46 -0.62 -0.31 0.00 0.00 175.10 174.64 1kbw s ASP 288 N -2.93 6.38 0.00 4.85 -1.08 -1.23 -2.01 116.67 120.65 1kbw s ASP 288 Ca 0.14 0.45 0.08 0.00 -0.52 0.00 0.00 52.55 52.69 1kbw s ASP 288 Cb 0.02 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.70 1kbw s ASP 288 CO -0.02 -0.24 1.00 1.57 0.52 0.00 0.00 175.17 178.00 1kbw n HIS 289 N 5.39 0.00 -2.16 -5.34 -0.00 0.12 -3.28 115.22 109.95 1kbw n HIS 289 Ca -0.06 0.00 -0.42 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 -0.71 4.65 -0.06 0.26 7.64 -1.26 -4.82 113.62 119.32 1kbw n SER 290 Ca 0.06 -3.00 0.04 0.00 1.01 0.00 0.00 58.87 56.99 1kbw n SER 290 Cb 0.03 -1.56 0.08 0.00 -1.01 0.00 0.00 64.21 61.75 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 4.18 -0.08 0.30 0.44 2.08 -1.20 -1.17 119.36 123.91 1kbw n ILE 291 Ca 0.44 0.39 0.17 0.00 0.56 0.00 0.00 62.75 64.31 1kbw n ILE 291 Cb 0.38 -0.60 0.72 0.00 -0.75 0.00 0.00 39.64 39.39 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 -0.21 1.39 -1.00 -1.87 -1.99 116.94 113.25 1kbw h PHE 292 Ca 0.13 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.73 1kbw h PHE 292 Cb 0.33 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1kbw h PHE 292 CO -0.05 0.00 -0.60 0.00 -1.61 0.00 0.00 178.31 176.06 1kbw h ARG 293 N 0.00 0.70 0.24 1.51 3.08 -1.43 -1.43 114.38 117.05 1kbw h ARG 293 Ca 0.00 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1kbw h ARG 293 Cb 0.42 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1kbw h ARG 293 CO 0.00 1.10 -0.11 0.00 -1.07 0.00 0.00 179.97 179.88 1kbw h ALA 294 N 0.80 -0.32 -0.00 0.04 0.00 -1.52 -1.31 119.26 116.94 1kbw h ALA 294 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1kbw h ALA 294 Cb 1.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1kbw h ALA 294 CO 0.12 -0.46 -0.35 1.19 0.00 0.00 0.00 179.25 179.75 1kbw n PHE 295 N -5.05 0.00 0.00 0.00 3.01 -0.96 -3.49 117.46 110.97 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 0.26 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.11 4.17 -0.17 4.37 3.02 -0.56 -4.81 115.26 120.18 1kbw n ASN 296 Ca 0.09 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.66 1kbw n ASN 296 Cb 0.34 0.77 0.01 0.00 -0.61 0.00 0.00 39.78 40.30 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 -1.32 0.31 0.00 3.52 5.02 -0.59 -5.00 118.16 120.10 1kbw n LYS 297 Ca 0.00 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1kbw n LYS 297 Cb 0.06 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.36 0.47 2.68 0.72 0.00 -0.64 -1.50 105.19 107.28 1kbw n GLY 298 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.80 5.37 -3.71 4.61 0.00 0.17 -4.42 120.51 120.73 1kbw n ALA 299 Ca 0.00 -3.24 -0.19 0.00 0.00 0.00 0.00 53.44 50.01 1kbw n ALA 299 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 19.45 15.88 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 0.98 0.48 0.34 0.00 0.20 -1.26 -3.55 118.68 115.88 1kbw s LEU 300 Ca 0.53 0.04 0.04 0.00 0.69 0.00 0.00 54.13 55.44 1kbw s LEU 300 Cb 0.14 -0.18 -0.07 0.00 -0.43 0.00 0.00 46.19 45.66 1kbw s LEU 300 CO -0.02 -0.20 0.05 -0.83 -0.29 0.00 0.00 176.35 175.05 1kbw s GLY 301 N 1.82 2.18 -0.01 7.98 0.00 -0.55 -4.58 107.32 114.16 1kbw s GLY 301 Ca 0.01 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.65 1kbw s GLY 301 CO -0.03 -1.88 -0.06 1.20 0.00 0.00 0.00 173.10 172.33 1kbw s GLN 302 N -3.85 0.50 -0.26 2.90 -0.21 0.18 -1.38 119.66 117.53 1kbw s GLN 302 Ca 0.36 -0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.56 1kbw s GLN 302 Cb 0.09 -0.49 0.06 0.00 1.00 0.00 0.00 33.01 33.68 1kbw s GLN 302 CO 0.16 0.11 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.20 1kbw s LEU 303 N -0.05 3.26 -0.20 2.90 2.96 0.10 0.17 118.68 127.83 1kbw s LEU 303 Ca 0.01 -1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 52.35 1kbw s LEU 303 Cb -0.03 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1kbw s LEU 303 CO -0.00 -0.23 0.41 -0.54 -1.32 0.00 0.00 176.35 174.67 1kbw s LYS 304 N 1.19 4.18 -0.17 1.98 1.02 0.28 -0.82 119.74 127.39 1kbw s LYS 304 Ca -0.06 0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.15 1kbw s LYS 304 Cb -0.19 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1kbw s LYS 304 CO -0.06 -0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.31 1kbw s VAL 305 N 1.30 3.12 0.15 3.17 1.01 0.02 -1.87 120.40 127.31 1kbw s VAL 305 Ca 0.20 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1kbw s VAL 305 Cb -0.15 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1kbw s VAL 305 CO 0.08 0.48 0.21 -0.62 0.00 0.00 0.00 175.10 175.26 1kbw n GLU 306 N 4.15 0.87 0.00 2.72 1.02 -0.78 -1.60 120.64 127.01 1kbw n GLU 306 Ca -0.18 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 1kbw n GLU 306 Cb 0.52 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1kbw n GLU 306 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kbw n GLY 307 N 3.14 -0.40 3.41 0.62 0.00 -1.26 -0.42 105.19 110.28 1kbw n GLY 307 Ca 0.04 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.00 2.47 0.42 4.61 0.00 -1.26 -4.89 121.76 121.11 1kbw s ALA 308 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 1kbw s ALA 308 Cb 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.22 1kbw s ALA 308 CO 0.00 0.54 1.28 -1.91 0.00 0.00 0.00 175.76 175.68 1kbw n GLU 309 N 2.37 1.95 -3.61 0.00 2.13 -1.26 -4.67 120.64 117.55 1kbw n GLU 309 Ca -0.17 0.69 -0.29 0.00 0.66 0.00 0.00 57.16 58.06 1kbw n GLU 309 Cb 0.52 -2.40 -0.15 0.00 0.27 0.00 0.00 31.44 29.67 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 -0.53 3.62 0.54 4.31 3.84 -1.26 -5.00 114.94 120.46 1kbw s ASN 310 Ca 0.61 -1.35 0.36 0.00 0.21 0.00 0.00 52.86 52.69 1kbw s ASN 310 Cb -0.50 -0.51 1.92 0.00 -0.55 0.00 0.00 41.25 41.61 1kbw s ASN 310 CO 0.58 -0.43 2.10 -0.65 -2.79 0.00 0.00 177.10 175.92 1kbw h PRO 311 N 8.31 0.00 -0.09 0.43 0.11 -1.98 -2.40 132.00 136.37 1kbw h PRO 311 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 1kbw h PRO 311 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1kbw h PRO 311 CO 0.44 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.03 1kbw h GLU 312 N 0.00 0.14 0.11 1.05 5.08 -2.04 -2.92 114.58 116.00 1kbw h GLU 312 Ca 0.00 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.00 1kbw h GLU 312 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1kbw h GLU 312 CO 0.00 0.28 -1.78 0.82 -1.00 0.00 0.00 179.01 177.33 1kbw h ILE 313 N 0.14 0.86 0.00 3.13 2.04 -1.87 -3.56 117.51 118.24 1kbw h ILE 313 Ca 0.03 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1kbw h ILE 313 Cb 0.32 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1kbw h ILE 313 CO 0.02 0.80 0.00 0.80 0.00 0.00 0.00 178.15 179.77