#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 -4.78 4.31 4.77 -1.26 -4.86 117.00 115.18 1kbw n LEU 14 Ca 0.00 0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 1kbw n LEU 14 Cb 0.00 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 1kbw n LEU 14 CO 0.00 0.00 0.78 -2.84 -1.33 0.00 0.00 177.39 174.00 1kbw s PRO 15 N -1.95 3.34 -0.16 3.23 0.02 -1.26 -4.69 135.00 133.53 1kbw s PRO 15 Ca 0.00 1.58 -0.05 0.00 0.02 0.00 0.00 61.00 62.54 1kbw s PRO 15 Cb 0.00 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 1kbw s PRO 15 CO 0.00 -0.85 0.01 0.08 -0.33 0.00 0.00 177.00 175.91 1kbw s VAL 16 N -1.83 4.32 0.01 3.83 1.01 -1.26 -0.18 120.40 126.30 1kbw s VAL 16 Ca 0.72 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1kbw s VAL 16 Cb -0.23 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1kbw s VAL 16 CO 0.28 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 175.12 1kbw s ILE 17 N 0.31 0.88 -0.19 2.22 1.01 -0.02 -4.94 121.20 120.47 1kbw s ILE 17 Ca -0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1kbw s ILE 17 Cb -0.13 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1kbw s ILE 17 CO 0.02 0.14 0.61 -1.81 0.00 0.00 0.00 174.94 173.90 1kbw s ASP 18 N -0.55 6.69 0.70 3.58 1.01 -1.26 -0.53 116.67 126.30 1kbw s ASP 18 Ca 0.03 0.83 -0.14 0.00 0.71 0.00 0.00 52.55 53.98 1kbw s ASP 18 Cb -0.05 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1kbw s ASP 18 CO 0.00 -0.24 1.13 0.00 0.21 0.00 0.00 175.17 176.27 1kbw s ALA 19 N 1.75 2.34 -0.29 5.23 0.00 -0.32 -4.87 121.76 125.59 1kbw s ALA 19 Ca 0.28 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 1kbw s ALA 19 Cb -0.16 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1kbw s ALA 19 CO 0.11 -1.50 0.00 0.08 0.00 0.00 0.00 175.76 174.45 1kbw s VAL 20 N -2.34 3.17 0.14 0.00 1.01 -1.26 -4.96 120.40 116.16 1kbw s VAL 20 Ca 0.68 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1kbw s VAL 20 Cb -0.22 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1kbw s VAL 20 CO 0.44 -0.00 -0.08 0.42 0.00 0.00 0.00 175.10 175.88 1kbw s THR 21 N 1.32 3.41 0.12 3.92 -4.23 -1.26 -4.55 115.64 114.37 1kbw s THR 21 Ca -0.02 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 1kbw s THR 21 Cb -0.18 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1kbw s THR 21 CO -0.01 0.01 -0.20 0.42 -0.54 0.00 0.00 174.62 174.31 1kbw s THR 22 N -1.44 1.71 0.68 3.99 -4.23 -1.06 -4.89 115.64 110.39 1kbw s THR 22 Ca 0.24 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.99 1kbw s THR 22 Cb -0.10 -1.62 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 1kbw s THR 22 CO 0.15 -0.15 1.06 -1.00 -0.54 0.00 0.00 174.62 174.15 1kbw s HIS 23 N -1.44 3.39 0.22 3.99 3.76 -1.26 -1.16 115.29 122.78 1kbw s HIS 23 Ca 0.09 1.21 -0.23 0.00 -0.15 0.00 0.00 55.06 55.98 1kbw s HIS 23 Cb -0.09 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.62 1kbw s HIS 23 CO 0.05 -1.03 0.78 0.00 -0.85 0.00 0.00 174.74 173.69 1kbw s ALA 24 N -3.23 3.39 0.00 -1.40 0.00 -1.26 -2.79 121.76 116.48 1kbw s ALA 24 Ca 0.57 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1kbw s ALA 24 Cb -0.12 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1kbw s ALA 24 CO 0.53 0.29 0.00 -2.30 0.00 0.00 0.00 175.76 174.28 1kbw n PRO 25 N 1.01 0.00 -2.46 0.00 -0.02 -1.24 -5.03 135.00 127.25 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 -0.04 0.00 -0.02 0.00 0.00 33.50 33.94 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 -1.12 0.82 118.70 124.43 1kbw s GLU 26 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 54.97 56.81 1kbw s GLU 26 Cb 0.00 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1kbw s GLU 26 CO 0.00 0.10 -0.13 0.08 0.02 0.00 0.00 175.26 175.33 1kbw s VAL 27 N -1.27 3.14 0.84 2.63 1.01 -1.26 -4.55 120.40 120.94 1kbw s VAL 27 Ca 0.48 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1kbw s VAL 27 Cb -0.30 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 33.84 1kbw s VAL 27 CO 0.39 0.38 1.12 -2.84 0.00 0.00 0.00 175.10 174.14 1kbw s PRO 28 N -1.38 1.70 0.50 2.72 0.02 -1.26 -4.94 135.00 132.36 1kbw s PRO 28 Ca 0.15 1.35 -0.23 0.00 0.02 0.00 0.00 61.00 62.29 1kbw s PRO 28 Cb -0.11 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 1kbw s PRO 28 CO 0.06 -2.09 1.27 -2.30 -0.33 0.00 0.00 177.00 173.60 1kbw n PRO 29 N -3.84 1.68 -1.76 5.54 -0.02 -1.26 -4.92 135.00 130.42 1kbw n PRO 29 Ca 0.10 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1kbw n PRO 29 Cb 0.53 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.28 2.91 -0.33 3.55 0.00 -1.26 -4.87 121.76 120.48 1kbw s ALA 30 Ca 0.68 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 53.74 1kbw s ALA 30 Cb -0.45 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 1kbw s ALA 30 CO 0.52 -1.36 1.72 0.42 0.00 0.00 0.00 175.76 177.06 1kbw s ILE 31 N -1.27 3.57 -0.82 0.00 -1.09 -1.26 -4.90 121.20 115.43 1kbw s ILE 31 Ca 0.69 0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 1kbw s ILE 31 Cb -0.42 -3.74 0.36 0.00 -1.58 0.00 0.00 42.46 37.08 1kbw s ILE 31 CO 0.50 -0.46 1.89 0.47 -1.23 0.00 0.00 174.94 176.12 1kbw n ASP 32 N 9.84 7.17 -3.82 3.58 10.43 -1.26 -4.92 116.55 137.56 1kbw n ASP 32 Ca 0.21 -3.81 -0.12 0.00 2.57 0.00 0.00 54.79 53.64 1kbw n ASP 32 Cb 0.47 -1.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.33 1kbw n ASP 32 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kbw s ARG 33 N -4.03 0.52 -0.33 -1.24 1.70 -1.26 -5.07 118.95 109.23 1kbw s ARG 33 Ca 0.50 -0.22 0.09 0.00 -0.47 0.00 0.00 55.73 55.64 1kbw s ARG 33 Cb 0.41 0.23 0.46 0.00 -0.57 0.00 0.00 34.95 35.47 1kbw s ARG 33 CO -0.37 -0.13 1.14 -0.40 -1.08 0.00 0.00 175.30 174.47 1kbw n ASP 34 N 1.61 4.21 -3.79 -2.89 5.75 -1.26 -5.02 116.55 115.15 1kbw n ASP 34 Ca -0.21 -3.45 -0.13 0.00 -0.01 0.00 0.00 54.79 50.99 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 -3.58 -0.13 0.58 2.11 -0.85 -1.26 -5.16 117.35 109.06 1kbw s TYR 35 Ca 0.46 0.17 -0.19 0.00 -0.52 0.00 0.00 57.07 56.99 1kbw s TYR 35 Cb 0.40 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 1kbw s TYR 35 CO -0.03 -0.36 1.18 -2.14 -1.52 0.00 0.00 175.55 172.68 1kbw s PRO 36 N -1.32 3.09 0.20 -3.49 0.02 -1.26 -5.01 135.00 127.23 1kbw s PRO 36 Ca -0.14 1.76 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1kbw s PRO 36 Cb -0.06 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1kbw s PRO 36 CO 0.04 -1.09 0.38 0.00 -0.33 0.00 0.00 177.00 175.99 1kbw s ALA 37 N -1.64 -0.21 -0.40 -1.55 0.00 -1.26 -4.29 121.76 112.41 1kbw s ALA 37 Ca 0.76 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1kbw s ALA 37 Cb -0.28 0.94 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1kbw s ALA 37 CO 0.31 -0.74 0.28 0.21 0.00 0.00 0.00 175.76 175.82 1kbw s LYS 38 N -3.97 2.96 -0.28 0.00 2.20 0.75 -1.16 119.74 120.24 1kbw s LYS 38 Ca 0.18 -1.02 -0.15 0.00 -0.36 0.00 0.00 55.97 54.62 1kbw s LYS 38 Cb 0.01 -3.92 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1kbw s LYS 38 CO 0.03 -0.72 0.38 0.08 -0.36 0.00 0.00 175.35 174.75 1kbw s VAL 39 N 1.65 5.16 -0.18 4.02 1.01 0.11 -0.84 120.40 131.34 1kbw s VAL 39 Ca 0.04 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 1kbw s VAL 39 Cb -0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1kbw s VAL 39 CO 0.09 0.11 0.67 -0.13 0.00 0.00 0.00 175.10 175.84 1kbw s ARG 40 N 2.08 4.24 -0.05 2.72 0.52 0.30 -0.29 118.95 128.48 1kbw s ARG 40 Ca 0.15 0.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.12 1kbw s ARG 40 Cb -0.16 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 1kbw s ARG 40 CO 0.10 -0.23 -0.23 0.08 0.02 0.00 0.00 175.30 175.04 1kbw s VAL 41 N 1.87 1.87 -0.18 3.52 1.01 0.41 -1.18 120.40 127.71 1kbw s VAL 41 Ca 0.31 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1kbw s VAL 41 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1kbw s VAL 41 CO 0.11 0.52 -0.07 -0.54 0.00 0.00 0.00 175.10 175.12 1kbw s LYS 42 N -0.11 3.43 -0.01 2.72 1.02 -1.26 -0.65 119.74 124.88 1kbw s LYS 42 Ca -0.04 -0.63 0.05 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 34.29 1kbw s LYS 42 CO 0.03 0.00 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.67 1kbw s MET 43 N 0.94 1.25 -0.03 1.68 -1.94 -0.41 -4.97 119.30 115.81 1kbw s MET 43 Ca -0.01 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1kbw s MET 43 Cb -0.15 -1.20 0.00 0.00 2.01 0.00 0.00 34.83 35.49 1kbw s MET 43 CO 0.00 0.33 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.22 1kbw s GLU 44 N -0.35 1.26 -0.25 2.03 2.12 -1.26 -0.67 118.70 121.58 1kbw s GLU 44 Ca 0.06 -0.42 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 1kbw s GLU 44 Cb -0.06 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 1kbw s GLU 44 CO -0.01 0.17 0.11 0.95 -0.54 0.00 0.00 175.26 175.94 1kbw s THR 45 N 0.12 4.77 -0.02 -1.70 -4.23 -0.03 0.12 115.64 114.67 1kbw s THR 45 Ca -0.03 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1kbw s THR 45 Cb -0.09 -3.23 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 1kbw s THR 45 CO 0.01 0.33 -0.10 0.54 -0.54 0.00 0.00 174.62 174.86 1kbw s VAL 46 N 1.43 0.84 -0.16 2.29 0.11 -0.62 -1.42 120.40 122.87 1kbw s VAL 46 Ca 0.06 -0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 1kbw s VAL 46 Cb -0.15 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1kbw s VAL 46 CO 0.06 0.25 0.35 -1.61 -3.33 0.00 0.00 175.10 170.82 1kbw s GLU 47 N 0.07 4.27 -0.04 1.54 2.02 -1.26 -1.47 118.70 123.83 1kbw s GLU 47 Ca -0.01 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.94 1kbw s GLU 47 Cb -0.08 -3.44 0.05 0.00 0.10 0.00 0.00 34.13 30.76 1kbw s GLU 47 CO 0.00 0.18 0.50 -1.59 0.02 0.00 0.00 175.26 174.37 1kbw s LYS 48 N 0.62 0.86 -0.06 1.61 -2.85 -0.46 -4.96 119.74 114.49 1kbw s LYS 48 Ca 0.19 0.05 -0.22 0.00 -1.00 0.00 0.00 55.97 54.99 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 0.00 175.35 176.87 1kbw s THR 49 N -1.23 5.04 0.25 3.79 2.01 -1.26 -1.16 115.64 123.08 1kbw s THR 49 Ca -0.12 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.19 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 0.31 0.20 -0.04 -0.69 0.00 0.00 174.62 174.47 1kbw s MET 50 N 0.52 1.41 -0.14 4.92 -1.94 -0.68 -4.96 119.30 118.42 1kbw s MET 50 Ca 0.33 -1.75 -0.24 0.00 -1.71 0.00 0.00 55.69 52.32 1kbw s MET 50 Cb -0.17 0.30 -0.02 0.00 2.01 0.00 0.00 34.83 36.94 1kbw s MET 50 CO 0.16 -0.49 0.76 0.21 -0.01 0.00 0.00 175.02 175.65 1kbw s LYS 51 N -3.89 4.32 -0.12 2.03 2.20 -1.26 -0.96 119.74 122.07 1kbw s LYS 51 Ca 0.39 0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 56.81 1kbw s LYS 51 Cb 0.05 -3.54 -0.26 0.00 -1.51 0.00 0.00 37.83 32.57 1kbw s LYS 51 CO 0.17 -0.20 0.43 1.98 -0.36 0.00 0.00 175.35 177.37 1kbw h MET 52 N 7.20 0.25 -3.74 4.03 1.85 -0.74 -3.45 114.93 120.33 1kbw h MET 52 Ca -0.33 -0.43 -0.17 0.00 -0.61 0.00 0.00 59.70 58.15 1kbw h MET 52 Cb 1.15 0.16 -0.06 0.00 0.43 0.00 0.00 31.60 33.29 1kbw h MET 52 CO 0.80 1.21 -0.05 0.34 -0.40 0.00 0.00 176.91 178.81 1kbw s ASP 53 N -7.07 0.51 0.01 1.39 3.68 -1.15 -0.28 116.67 113.77 1kbw s ASP 53 Ca -0.22 -1.30 -0.32 0.00 2.13 0.00 0.00 52.55 52.84 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 0.76 -1.38 1.89 -0.67 0.13 0.00 0.00 175.17 175.90 1kbw n ASP 54 N -1.24 3.80 0.00 -0.34 -0.08 -1.26 -1.03 116.55 116.40 1kbw n ASP 54 Ca -0.02 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1kbw n ASP 54 Cb 0.61 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.61 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 4.36 0.54 3.29 0.27 0.00 -1.26 -4.96 105.19 107.44 1kbw n GLY 55 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.53 3.03 0.15 1.61 1.01 -0.19 -0.84 120.40 122.64 1kbw s VAL 56 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1kbw s VAL 56 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1kbw s VAL 56 CO 0.00 0.48 -0.03 -1.61 0.00 0.00 0.00 175.10 173.93 1kbw s GLU 57 N 1.09 2.32 -0.03 2.72 2.02 -0.26 0.00 118.70 126.56 1kbw s GLU 57 Ca 0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 1kbw s GLU 57 Cb -0.15 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1kbw s GLU 57 CO -0.02 0.48 0.12 -0.47 0.02 0.00 0.00 175.26 175.38 1kbw s TYR 58 N -1.56 -0.06 -0.89 1.61 5.04 -0.13 -0.35 117.35 121.01 1kbw s TYR 58 Ca 0.26 0.14 -0.20 0.00 -2.44 0.00 0.00 57.07 54.83 1kbw s TYR 58 Cb -0.10 0.00 0.10 0.00 0.35 0.00 0.00 41.96 42.32 1kbw s TYR 58 CO 0.17 -0.13 1.15 0.50 -1.34 0.00 0.00 175.55 175.90 1kbw s ARG 59 N -0.44 3.50 0.42 4.97 6.06 -1.26 -1.69 118.95 130.51 1kbw s ARG 59 Ca -0.05 -1.46 -0.20 0.00 -2.50 0.00 0.00 55.73 51.52 1kbw s ARG 59 Cb -0.03 -4.84 -0.11 0.00 0.06 0.00 0.00 34.95 30.03 1kbw s ARG 59 CO 0.00 -1.86 0.93 0.71 -2.50 0.00 0.00 175.30 172.58 1kbw s TYR 60 N 3.36 3.33 -0.26 5.12 1.51 -0.31 -4.90 117.35 125.20 1kbw s TYR 60 Ca 0.33 1.55 -0.02 0.00 -1.01 0.00 0.00 57.07 57.92 1kbw s TYR 60 Cb -0.06 -2.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1kbw s TYR 60 CO -0.05 -0.10 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.66 1kbw s TRP 61 N -2.18 3.09 0.32 2.71 0.51 -0.49 -1.36 118.94 121.54 1kbw s TRP 61 Ca 0.61 -1.52 0.08 0.00 -2.12 0.00 0.00 56.10 53.15 1kbw s TRP 61 Cb -0.09 -2.08 -0.06 0.00 -0.81 0.00 0.00 33.47 30.43 1kbw s TRP 61 CO 0.15 -0.72 -0.08 0.95 -0.51 0.00 0.00 176.95 176.74 1kbw s THR 62 N 1.34 1.97 -0.38 2.01 -4.23 -0.54 -2.79 115.64 113.00 1kbw s THR 62 Ca -0.00 -2.17 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 1kbw s THR 62 Cb -0.17 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.14 1kbw s THR 62 CO -0.04 -0.24 0.22 -0.36 -0.54 0.00 0.00 174.62 173.67 1kbw s PHE 63 N -2.79 3.25 -1.25 3.99 0.08 -1.25 -1.59 117.98 118.41 1kbw s PHE 63 Ca 0.31 -0.96 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 1kbw s PHE 63 Cb 0.03 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1kbw s PHE 63 CO 0.15 -0.66 0.30 -0.25 -0.10 0.00 0.00 175.22 174.65 1kbw n ASP 64 N 5.02 -4.93 0.00 1.36 9.92 0.33 -3.91 116.55 124.34 1kbw n ASP 64 Ca -0.12 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 1kbw n ASP 64 Cb 0.46 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.06 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 -1.22 1.01 3.72 0.44 0.00 -1.26 -4.95 105.19 102.92 1kbw n GLY 65 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.58 0.22 -0.13 1.61 -1.08 -1.25 -5.02 116.67 108.43 1kbw s ASP 66 Ca 0.00 -1.18 0.03 0.00 -0.52 0.00 0.00 52.55 50.88 1kbw s ASP 66 Cb 0.00 0.78 0.01 0.00 -1.46 0.00 0.00 42.92 42.25 1kbw s ASP 66 CO 0.00 -1.53 -0.22 -0.69 0.52 0.00 0.00 175.17 173.25 1kbw s VAL 67 N -2.74 2.08 0.88 1.11 1.01 -1.26 -3.91 120.40 117.57 1kbw s VAL 67 Ca 0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1kbw s VAL 67 Cb -0.04 -1.82 0.20 0.00 0.00 0.00 0.00 36.38 34.72 1kbw s VAL 67 CO 0.13 0.55 1.20 -0.81 0.00 0.00 0.00 175.10 176.17 1kbw n PRO 68 N 3.94 -0.98 -0.96 2.72 -0.04 -1.26 -3.27 135.00 135.15 1kbw n PRO 68 Ca -0.20 -2.11 -0.30 0.00 -0.04 0.00 0.00 63.50 60.86 1kbw n PRO 68 Cb 0.52 -1.16 0.23 0.00 -0.04 0.00 0.00 33.50 33.06 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 -5.60 1.55 0.32 0.55 0.00 0.33 -4.67 107.32 99.79 1kbw s GLY 69 Ca 0.70 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 1kbw s GLY 69 CO 0.49 0.09 1.26 0.50 0.00 0.00 0.00 173.10 175.44 1kbw s ARG 70 N -5.18 4.42 0.15 2.90 0.52 -1.26 -4.66 118.95 115.84 1kbw s ARG 70 Ca 0.69 2.12 -0.30 0.00 -0.52 0.00 0.00 55.73 57.73 1kbw s ARG 70 Cb -0.13 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.17 1kbw s ARG 70 CO 0.57 -0.10 1.07 1.41 0.02 0.00 0.00 175.30 178.27 1kbw s MET 71 N -1.68 4.60 -0.06 3.54 -2.45 -0.31 -4.63 119.30 118.31 1kbw s MET 71 Ca 0.48 1.65 -0.00 0.00 -1.25 0.00 0.00 55.69 56.57 1kbw s MET 71 Cb -0.38 -3.31 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 1kbw s MET 71 CO 0.50 0.08 -0.02 0.42 1.05 0.00 0.00 175.02 177.05 1kbw s ILE 72 N -0.05 4.11 -0.14 10.11 1.01 -0.99 -2.57 121.20 132.68 1kbw s ILE 72 Ca 0.50 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1kbw s ILE 72 Cb -0.28 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.49 1kbw s ILE 72 CO 0.33 0.55 -0.01 -0.60 0.00 0.00 0.00 174.94 175.22 1kbw s ARG 73 N -1.01 0.90 0.38 2.79 3.52 -1.26 -0.13 118.95 124.14 1kbw s ARG 73 Ca 0.14 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 1kbw s ARG 73 Cb -0.11 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.61 1kbw s ARG 73 CO 0.04 -0.44 0.15 0.14 -0.81 0.00 0.00 175.30 174.38 1kbw s VAL 74 N 1.83 0.51 -0.02 7.11 -7.23 -0.28 -4.88 120.40 117.44 1kbw s VAL 74 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1kbw s VAL 74 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1kbw s VAL 74 CO -0.07 0.00 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.11 1kbw s ARG 75 N -3.70 2.78 -0.01 4.82 3.52 -1.26 -0.54 118.95 124.56 1kbw s ARG 75 Ca 0.28 -0.59 -0.36 0.00 -0.13 0.00 0.00 55.73 54.93 1kbw s ARG 75 Cb 0.03 -2.66 -0.15 0.00 -1.56 0.00 0.00 34.95 30.61 1kbw s ARG 75 CO 0.17 0.64 1.58 -1.91 -0.81 0.00 0.00 175.30 174.96 1kbw n GLU 76 N 1.61 1.56 0.00 5.12 2.13 0.75 -0.82 120.64 130.99 1kbw n GLU 76 Ca -0.16 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1kbw n GLU 76 Cb 0.53 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 3.43 0.66 3.79 8.31 0.00 0.21 -4.72 105.19 116.86 1kbw n GLY 77 Ca 0.21 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 -1.86 4.86 -0.22 1.61 -0.00 -0.00 -4.69 116.67 116.37 1kbw s ASP 78 Ca 0.00 1.76 -0.05 0.00 -0.00 0.00 0.00 52.55 54.26 1kbw s ASP 78 Cb 0.00 -2.51 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1kbw s ASP 78 CO 0.00 -1.80 0.01 -0.89 -0.00 0.00 0.00 175.17 172.49 1kbw s THR 79 N -2.92 3.86 -0.32 -1.27 2.01 -0.31 -0.99 115.64 115.71 1kbw s THR 79 Ca 0.60 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.14 1kbw s THR 79 Cb -0.16 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1kbw s THR 79 CO 0.55 0.40 0.25 -0.69 -0.69 0.00 0.00 174.62 174.44 1kbw s VAL 80 N 1.35 5.27 -0.30 3.82 1.01 0.91 0.10 120.40 132.55 1kbw s VAL 80 Ca 0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1kbw s VAL 80 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1kbw s VAL 80 CO 0.01 0.06 0.15 -0.70 0.00 0.00 0.00 175.10 174.62 1kbw s GLU 81 N 1.79 3.42 -0.20 2.72 2.12 0.60 -1.70 118.70 127.45 1kbw s GLU 81 Ca 0.08 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 1kbw s GLU 81 Cb -0.17 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1kbw s GLU 81 CO 0.11 -0.38 0.06 0.08 -0.54 0.00 0.00 175.26 174.59 1kbw s VAL 82 N 1.63 4.58 -0.47 3.70 1.01 0.36 -0.45 120.40 130.76 1kbw s VAL 82 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1kbw s VAL 82 Cb -0.17 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.22 1kbw s VAL 82 CO 0.07 0.42 0.37 -0.70 0.00 0.00 0.00 175.10 175.25 1kbw s GLU 83 N 0.82 2.79 -0.31 2.72 2.12 0.18 -2.14 118.70 124.87 1kbw s GLU 83 Ca 0.03 -1.53 -0.12 0.00 0.36 0.00 0.00 54.97 53.72 1kbw s GLU 83 Cb -0.14 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.19 1kbw s GLU 83 CO 0.02 -1.10 0.22 0.12 -0.54 0.00 0.00 175.26 173.99 1kbw s PHE 84 N 1.52 3.22 -0.09 5.30 5.36 0.10 -1.29 117.98 132.12 1kbw s PHE 84 Ca 0.04 -0.04 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 1kbw s PHE 84 Cb -0.25 -2.44 -0.00 0.00 -0.34 0.00 0.00 43.02 39.99 1kbw s PHE 84 CO 0.03 -0.26 -0.24 -1.12 -1.46 0.00 0.00 175.22 172.17 1kbw s SER 85 N 1.74 3.11 -0.31 6.13 0.01 0.16 0.11 113.70 124.66 1kbw s SER 85 Ca 0.07 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 1kbw s SER 85 Cb -0.17 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1kbw s SER 85 CO 0.11 0.19 0.22 0.21 0.41 0.00 0.00 173.24 174.37 1kbw s ASN 86 N 0.18 6.04 0.29 2.44 2.47 -0.62 -0.85 114.94 124.89 1kbw s ASN 86 Ca -0.14 -0.20 -0.28 0.00 0.42 0.00 0.00 52.86 52.66 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 -0.14 1.01 -3.20 -3.72 0.00 0.00 177.10 171.12 1kbw n ASN 87 N 5.08 1.29 0.19 -4.21 5.15 -0.51 -0.35 115.26 121.91 1kbw n ASN 87 Ca -0.13 1.18 0.18 0.00 -0.60 0.00 0.00 54.58 55.21 1kbw n ASN 87 Cb 0.51 -1.29 0.80 0.00 -0.53 0.00 0.00 39.78 39.27 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 1.99 0.00 -0.01 1.20 0.11 -1.90 -1.36 132.00 132.03 1kbw h PRO 88 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 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 0.61 0.00 -0.17 -1.13 -0.21 0.00 0.00 178.00 177.09 1kbw n SER 89 N -3.49 1.48 -4.74 -2.05 3.41 -1.26 -4.49 113.62 102.48 1kbw n SER 89 Ca 0.03 -1.27 -0.36 0.00 -0.26 0.00 0.00 58.87 57.01 1kbw n SER 89 Cb 0.48 0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.59 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 4.91 0.00 4.04 0.01 -0.52 -4.93 113.70 114.93 1kbw s SER 90 Ca 0.29 2.42 0.22 0.00 1.31 0.00 0.00 55.95 60.18 1kbw s SER 90 Cb 0.20 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.68 1kbw s SER 90 CO 0.44 -1.78 0.89 0.35 0.41 0.00 0.00 173.24 173.55 1kbw n THR 91 N -1.85 0.03 -4.11 1.44 -2.24 -1.26 -4.76 114.28 101.52 1kbw n THR 91 Ca 0.14 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1kbw n THR 91 Cb 0.49 0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 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 -3.12 0.05 0.87 2.28 -7.23 -1.26 -5.04 120.40 106.96 1kbw s VAL 92 Ca 0.05 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1kbw s VAL 92 Cb 0.16 -2.15 0.11 0.00 0.56 0.00 0.00 36.38 35.06 1kbw s VAL 92 CO 0.85 -0.25 1.10 -2.84 -0.31 0.00 0.00 175.10 173.65 1kbw s PRO 93 N -4.06 1.45 -0.05 4.82 0.02 -1.26 -4.48 135.00 131.43 1kbw s PRO 93 Ca 0.27 0.68 -0.17 0.00 0.02 0.00 0.00 61.00 61.80 1kbw s PRO 93 Cb 0.06 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.77 1kbw s PRO 93 CO 0.05 -2.07 0.39 -1.01 -0.33 0.00 0.00 177.00 174.03 1kbw s HIS 94 N -3.05 -0.32 0.00 6.54 3.76 -0.88 -4.93 115.29 116.41 1kbw s HIS 94 Ca 0.63 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1kbw s HIS 94 Cb -0.16 0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.68 1kbw s HIS 94 CO 0.56 -0.38 0.00 0.27 -0.85 0.00 0.00 174.74 174.34 1kbw n ASN 95 N 1.61 0.00 -3.74 1.40 0.23 -1.26 -1.32 115.26 112.18 1kbw n ASN 95 Ca -0.19 -0.62 -0.12 0.00 -0.53 0.00 0.00 54.58 53.12 1kbw n ASN 95 Cb 0.56 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.14 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 -1.94 -0.03 -0.28 3.53 0.11 -1.26 -4.20 120.40 116.33 1kbw s VAL 96 Ca 0.00 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1kbw s VAL 96 Cb 0.00 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1kbw s VAL 96 CO 0.00 0.04 0.00 -0.62 -3.33 0.00 0.00 175.10 171.20 1kbw s ASP 97 N 1.01 4.75 -0.24 3.54 3.68 0.72 -2.28 116.67 127.84 1kbw s ASP 97 Ca -0.07 -0.98 -0.16 0.00 2.13 0.00 0.00 52.55 53.47 1kbw s ASP 97 Cb -0.08 -1.74 -0.04 0.00 -1.45 0.00 0.00 42.92 39.61 1kbw s ASP 97 CO -0.07 -0.20 0.40 -0.36 0.13 0.00 0.00 175.17 175.07 1kbw s PHE 98 N 1.35 3.29 -0.76 -5.34 0.40 0.38 -1.42 117.98 115.88 1kbw s PHE 98 Ca -0.01 0.51 0.18 0.00 -0.60 0.00 0.00 56.93 57.01 1kbw s PHE 98 Cb -0.18 -2.57 0.77 0.00 0.51 0.00 0.00 43.02 41.55 1kbw s PHE 98 CO -0.01 -0.16 1.56 0.72 0.70 0.00 0.00 175.22 178.03 1kbw n HIS 99 N 5.05 0.37 0.75 0.36 8.25 -0.40 -1.64 115.22 127.95 1kbw n HIS 99 Ca -0.08 0.15 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 1kbw n HIS 99 Cb 0.51 -0.74 0.29 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.62 2.91 -2.62 -1.41 0.00 -1.26 -4.88 120.51 111.63 1kbw n ALA 100 Ca 0.03 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 1kbw n ALA 100 Cb 0.19 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.09 3.76 -0.26 0.00 0.00 -0.65 -4.48 121.76 117.03 1kbw s ALA 101 Ca 0.09 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 1kbw s ALA 101 Cb 0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1kbw s ALA 101 CO 0.67 0.57 0.07 0.99 0.00 0.00 0.00 175.76 178.06 1kbw s THR 102 N -1.28 4.19 0.00 0.00 2.01 -1.26 -4.63 115.64 114.66 1kbw s THR 102 Ca 0.29 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1kbw s THR 102 Cb -0.14 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1kbw s THR 102 CO 0.16 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1kbw n GLY 103 N 4.91 3.70 0.73 4.40 0.00 -1.26 -4.95 105.19 112.73 1kbw n GLY 103 Ca -0.16 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.88 1.61 -0.06 -1.26 0.15 117.38 114.03 1kbw n GLN 104 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 1kbw n GLN 104 Cb 0.00 -0.32 -0.02 0.00 -4.06 0.00 0.00 30.24 25.84 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 1.42 0.03 2.43 1.69 0.00 -1.26 -1.00 105.19 108.50 1kbw n GLY 105 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.42 0.03 0.00 -0.02 0.00 0.12 -1.57 105.19 103.33 1kbw n GLY 106 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.84 0.50 0.21 -0.02 0.00 -0.17 -0.47 105.19 104.40 1kbw n GLY 107 Ca -0.22 0.00 -0.05 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 0.68 -0.23 4.61 0.00 -0.85 -1.54 119.26 121.92 1kbw h ALA 108 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1kbw h ALA 108 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1kbw h ALA 108 CO 0.00 0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.31 1kbw h ALA 109 N 1.24 0.31 0.00 0.00 0.00 -1.84 -2.73 119.26 116.24 1kbw h ALA 109 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kbw h ALA 109 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1kbw h ALA 109 CO -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 1kbw h ALA 110 N 0.86 1.03 -0.46 0.00 0.00 -1.85 -3.10 119.26 115.74 1kbw h ALA 110 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kbw h ALA 110 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kbw h ALA 110 CO 0.00 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.55 1kbw n THR 111 N -3.19 1.02 -1.66 0.00 -2.24 -0.59 -4.59 114.28 103.04 1kbw n THR 111 Ca -0.00 -1.01 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 1kbw n THR 111 Cb 0.28 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.03 1.25 -0.11 4.78 5.36 -1.04 -4.16 117.98 123.03 1kbw s PHE 112 Ca 0.31 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.80 1kbw s PHE 112 Cb 0.16 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.90 1kbw s PHE 112 CO 0.21 -3.99 -0.10 0.99 -1.46 0.00 0.00 175.22 170.86 1kbw s THR 113 N 8.00 1.16 0.79 0.12 2.01 -0.43 -4.95 115.64 122.33 1kbw s THR 113 Ca 0.97 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 1kbw s THR 113 Cb -0.32 -1.13 0.06 0.00 0.01 0.00 0.00 72.50 71.13 1kbw s THR 113 CO 0.35 0.38 1.09 0.00 -0.69 0.00 0.00 174.62 175.75 1kbw s ALA 114 N 1.44 2.27 0.41 7.40 0.00 -1.26 -2.07 121.76 129.95 1kbw s ALA 114 Ca 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 1kbw s ALA 114 Cb -0.13 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1kbw s ALA 114 CO -0.06 -1.69 1.23 -2.30 0.00 0.00 0.00 175.76 172.94 1kbw n PRO 115 N -3.42 1.86 -0.90 0.00 -0.02 -1.26 -2.01 135.00 129.24 1kbw n PRO 115 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1kbw n PRO 115 Cb 0.55 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.87 0.54 3.73 -1.23 0.00 0.53 -4.84 105.19 104.79 1kbw n GLY 116 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 2.42 -0.02 1.61 3.52 -0.85 -4.88 118.95 120.29 1kbw s ARG 117 Ca 0.00 -1.48 0.04 0.00 -0.13 0.00 0.00 55.73 54.15 1kbw s ARG 117 Cb 0.00 -2.22 -0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1kbw s ARG 117 CO 0.00 0.16 -0.12 0.99 -0.81 0.00 0.00 175.30 175.52 1kbw s THR 118 N -2.39 1.01 0.17 4.11 2.01 -1.26 -1.59 115.64 117.71 1kbw s THR 118 Ca 0.37 -0.52 0.11 0.00 0.31 0.00 0.00 61.69 61.96 1kbw s THR 118 Cb -0.04 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1kbw s THR 118 CO 0.23 0.30 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.79 1kbw s SER 119 N -0.10 3.53 -0.02 3.53 0.01 0.31 -4.98 113.70 115.99 1kbw s SER 119 Ca 0.01 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1kbw s SER 119 Cb -0.07 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.85 1kbw s SER 119 CO 0.00 0.13 -0.03 -0.89 0.41 0.00 0.00 173.24 172.86 1kbw s THR 120 N -1.52 0.34 0.06 1.44 2.01 -1.26 0.02 115.64 116.73 1kbw s THR 120 Ca 0.20 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 1kbw s THR 120 Cb -0.09 -0.34 0.08 0.00 0.01 0.00 0.00 72.50 72.17 1kbw s THR 120 CO 0.10 0.13 0.73 0.72 -0.69 0.00 0.00 174.62 175.61 1kbw s PHE 121 N 0.37 -0.47 0.05 4.92 -0.12 -0.91 -4.97 117.98 116.85 1kbw s PHE 121 Ca -0.04 0.38 0.01 0.00 -0.05 0.00 0.00 56.93 57.23 1kbw s PHE 121 Cb -0.07 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1kbw s PHE 121 CO -0.01 -0.69 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.88 1kbw s SER 122 N -2.42 0.73 0.06 1.98 1.04 -1.26 -0.48 113.70 113.34 1kbw s SER 122 Ca 0.01 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 1kbw s SER 122 Cb -0.01 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1kbw s SER 122 CO -0.09 -0.38 0.16 0.72 0.98 0.00 0.00 173.24 174.63 1kbw s PHE 123 N -2.54 0.15 -0.28 5.02 -0.12 -0.69 -4.97 117.98 114.55 1kbw s PHE 123 Ca -0.02 -0.48 -0.11 0.00 -0.05 0.00 0.00 56.93 56.27 1kbw s PHE 123 Cb -0.02 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1kbw s PHE 123 CO -0.03 -0.45 0.19 0.21 -0.05 0.00 0.00 175.22 175.09 1kbw s LYS 124 N -3.08 3.95 -1.03 1.99 2.20 -1.26 -0.06 119.74 122.44 1kbw s LYS 124 Ca -0.01 -0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 1kbw s LYS 124 Cb 0.01 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1kbw s LYS 124 CO -0.07 -0.18 1.86 0.00 -0.36 0.00 0.00 175.35 176.61 1kbw s ALA 125 N 1.76 1.97 0.22 3.13 0.00 -0.16 -4.65 121.76 124.02 1kbw s ALA 125 Ca 0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1kbw s ALA 125 Cb -0.16 -4.60 0.20 0.00 0.00 0.00 0.00 23.12 18.56 1kbw s ALA 125 CO 0.11 -4.67 1.57 -0.07 0.00 0.00 0.00 175.76 172.70 1kbw h LEU 126 N 16.76 0.56 -8.52 0.00 3.38 -1.86 0.63 115.31 126.27 1kbw h LEU 126 Ca 0.17 -0.27 -0.68 0.00 0.09 0.00 0.00 57.88 57.19 1kbw h LEU 126 Cb 0.97 -0.16 -0.31 0.00 0.09 0.00 0.00 40.66 41.26 1kbw h LEU 126 CO 1.26 0.94 -0.88 -1.10 0.09 0.00 0.00 178.44 178.75 1kbw s GLN 127 N -4.14 2.28 0.67 1.13 -0.21 -1.26 -4.62 119.66 113.51 1kbw s GLN 127 Ca -0.07 -0.89 -0.14 0.00 0.02 0.00 0.00 55.36 54.28 1kbw s GLN 127 Cb 0.12 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1kbw s GLN 127 CO 0.82 0.45 1.10 -1.25 -2.12 0.00 0.00 175.29 174.30 1kbw s PRO 128 N -0.35 2.76 0.00 2.91 0.04 -1.26 -4.83 135.00 134.27 1kbw s PRO 128 Ca 0.03 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1kbw s PRO 128 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1kbw s PRO 128 CO 0.01 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1kbw n GLY 129 N -0.65 0.93 3.25 0.56 0.00 0.22 -4.95 105.19 104.53 1kbw n GLY 129 Ca 0.10 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 4.56 -0.01 0.99 2.96 -1.24 -0.59 118.68 125.35 1kbw s LEU 130 Ca 0.00 -1.33 0.02 0.00 -0.22 0.00 0.00 54.13 52.61 1kbw s LEU 130 Cb 0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1kbw s LEU 130 CO 0.00 -0.39 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.27 1kbw s TYR 131 N 1.36 2.93 0.25 5.38 1.51 0.04 -4.66 117.35 124.16 1kbw s TYR 131 Ca 0.00 -0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1kbw s TYR 131 Cb -0.21 -1.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.92 1kbw s TYR 131 CO 0.02 0.38 0.68 0.42 -1.11 0.00 0.00 175.55 175.93 1kbw s ILE 132 N -0.97 4.71 0.00 2.71 1.09 -1.26 0.83 121.20 128.32 1kbw s ILE 132 Ca 0.16 0.96 0.03 0.00 -1.10 0.00 0.00 60.65 60.71 1kbw s ILE 132 Cb -0.11 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1kbw s ILE 132 CO 0.06 0.02 -0.10 -0.72 -0.10 0.00 0.00 174.94 174.10 1kbw s TYR 133 N -1.74 0.92 0.17 3.97 -0.85 0.02 -1.28 117.35 118.57 1kbw s TYR 133 Ca 0.47 -0.22 -0.16 0.00 -0.52 0.00 0.00 57.07 56.64 1kbw s TYR 133 Cb -0.13 -0.58 0.03 0.00 0.38 0.00 0.00 41.96 41.66 1kbw s TYR 133 CO 0.19 -0.01 0.47 -3.38 -1.52 0.00 0.00 175.55 171.30 1kbw s HIS 134 N -0.41 -0.10 0.33 -3.49 -3.43 -0.51 -0.61 115.29 107.07 1kbw s HIS 134 Ca 0.03 -0.23 -0.27 0.00 -0.80 0.00 0.00 55.06 53.78 1kbw s HIS 134 Cb -0.05 0.31 -0.09 0.00 -1.43 0.00 0.00 32.58 31.32 1kbw s HIS 134 CO -0.00 -0.83 1.14 0.00 -2.00 0.00 0.00 174.74 173.05 1kbw n ALA 136 N 0.67 3.59 -2.42 0.00 0.00 -1.26 -4.50 120.51 116.59 1kbw n ALA 136 Ca 0.01 -3.15 -0.39 0.00 0.00 0.00 0.00 53.44 49.92 1kbw n ALA 136 Cb 0.45 -0.55 -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 -3.22 4.87 0.24 0.00 1.01 -1.26 -4.79 120.40 117.24 1kbw s VAL 137 Ca 0.39 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1kbw s VAL 137 Cb 0.37 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1kbw s VAL 137 CO -0.05 0.48 1.39 0.00 0.00 0.00 0.00 175.10 176.93 1kbw s ALA 138 N -0.60 3.59 -0.27 5.51 0.00 -1.26 -2.16 121.76 126.57 1kbw s ALA 138 Ca 0.29 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 1kbw s ALA 138 Cb -0.18 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1kbw s ALA 138 CO 0.17 -0.67 1.03 -1.25 0.00 0.00 0.00 175.76 175.03 1kbw s PRO 139 N -0.37 4.17 0.21 0.00 0.04 -1.26 -5.04 135.00 132.75 1kbw s PRO 139 Ca 0.58 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1kbw s PRO 139 Cb -0.40 -3.68 0.23 0.00 0.04 0.00 0.00 34.50 30.69 1kbw s PRO 139 CO 0.42 -0.72 1.62 0.28 0.04 0.00 0.00 177.00 178.64 1kbw h VAL 140 N 5.56 0.34 -0.86 -0.36 2.07 -1.74 -1.20 116.25 120.05 1kbw h VAL 140 Ca -0.20 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1kbw h VAL 140 Cb 1.06 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1kbw h VAL 140 CO 0.99 0.00 0.56 1.23 0.02 0.00 0.00 177.57 180.36 1kbw h GLY 141 N -0.02 1.19 1.06 2.17 0.00 -1.93 -1.69 103.07 103.86 1kbw h GLY 141 Ca 0.30 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1kbw h GLY 141 CO -0.66 0.17 -0.24 1.98 0.00 0.00 0.00 176.54 177.78 1kbw h MET 142 N 0.79 0.89 -0.52 4.80 -1.53 -1.58 0.13 114.93 117.92 1kbw h MET 142 Ca 0.41 -0.41 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 1kbw h MET 142 Cb 0.49 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.51 1kbw h MET 142 CO -0.17 1.06 0.01 0.45 0.14 0.00 0.00 176.91 178.39 1kbw h HIS 143 N 0.71 0.93 -0.06 1.39 3.86 -1.11 -1.31 115.15 119.55 1kbw h HIS 143 Ca 0.09 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1kbw h HIS 143 Cb 0.81 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1kbw h HIS 143 CO 0.06 0.84 -0.10 0.82 0.86 0.00 0.00 177.93 180.41 1kbw h ILE 144 N 0.81 1.41 -0.61 2.45 2.04 -1.19 -2.86 117.51 119.57 1kbw h ILE 144 Ca 0.15 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.72 1kbw h ILE 144 Cb 0.47 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1kbw h ILE 144 CO 0.02 0.38 0.41 0.00 0.00 0.00 0.00 178.15 178.96 1kbw h ALA 145 N 0.49 2.00 0.00 1.87 0.00 -0.62 -0.52 119.26 122.47 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 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1kbw h ALA 145 CO 0.02 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.23 1kbw n ASN 146 N -4.47 0.00 0.00 0.00 3.02 -0.51 -4.80 115.26 108.50 1kbw n ASN 146 Ca 0.10 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1kbw n ASN 146 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.64 1.11 3.50 7.41 0.00 -0.21 -1.40 105.19 116.25 1kbw n GLY 147 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.20 3.27 -3.48 1.61 2.81 -1.08 -4.68 117.12 114.38 1kbw n MET 148 Ca 0.00 -3.52 -0.12 0.00 -1.81 0.00 0.00 57.70 52.24 1kbw n MET 148 Cb 0.00 -3.29 -0.03 0.00 -0.71 0.00 0.00 33.22 29.19 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 2.98 -0.48 0.08 2.03 -0.85 -1.26 -1.95 117.35 117.90 1kbw s TYR 149 Ca 0.49 0.34 -0.07 0.00 -0.52 0.00 0.00 57.07 57.31 1kbw s TYR 149 Cb 0.01 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.86 1kbw s TYR 149 CO 0.04 -0.79 0.35 0.41 -1.52 0.00 0.00 175.55 174.04 1kbw n GLY 150 N -0.17 1.20 3.21 5.49 0.00 0.22 -0.52 105.19 114.62 1kbw n GLY 150 Ca -0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 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 2.04 -0.18 0.99 1.43 -1.26 -0.80 118.68 120.91 1kbw s LEU 151 Ca 0.08 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1kbw s LEU 151 Cb -0.01 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1kbw s LEU 151 CO 0.03 0.25 -0.19 -0.51 0.23 0.00 0.00 176.35 176.15 1kbw s ILE 152 N -0.49 2.13 -0.27 -0.59 2.07 0.24 -2.35 121.20 121.95 1kbw s ILE 152 Ca 0.08 -0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 58.25 1kbw s ILE 152 Cb -0.08 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.58 1kbw s ILE 152 CO -0.01 0.54 0.38 -0.22 -1.91 0.00 0.00 174.94 173.72 1kbw s LEU 153 N 1.22 4.04 -0.57 8.50 2.96 0.81 -0.78 118.68 134.86 1kbw s LEU 153 Ca 0.03 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1kbw s LEU 153 Cb -0.13 -2.44 0.15 0.00 0.50 0.00 0.00 46.19 44.26 1kbw s LEU 153 CO -0.11 -0.19 0.44 -0.69 -1.32 0.00 0.00 176.35 174.48 1kbw s VAL 154 N 2.06 4.30 0.60 1.68 1.01 0.24 -1.13 120.40 129.15 1kbw s VAL 154 Ca 0.15 -2.20 -0.19 0.00 0.00 0.00 0.00 61.98 59.74 1kbw s VAL 154 Cb -0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1kbw s VAL 154 CO 0.10 -0.84 1.26 -1.61 0.00 0.00 0.00 175.10 174.01 1kbw s GLU 155 N 0.81 2.91 0.74 2.72 2.02 0.29 -0.61 118.70 127.58 1kbw s GLU 155 Ca 0.11 1.97 -0.11 0.00 0.02 0.00 0.00 54.97 56.95 1kbw s GLU 155 Cb -0.22 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.07 1kbw s GLU 155 CO -0.03 -1.29 1.09 -2.14 0.02 0.00 0.00 175.26 172.91 1kbw s PRO 156 N -3.24 2.43 0.21 0.39 0.02 -1.26 -0.18 135.00 133.37 1kbw s PRO 156 Ca 0.77 1.18 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 1kbw s PRO 156 Cb -0.34 -1.92 0.22 0.00 0.02 0.00 0.00 34.50 32.48 1kbw s PRO 156 CO 0.38 -1.51 1.61 0.87 -0.33 0.00 0.00 177.00 178.01 1kbw h LYS 157 N -0.88 -0.05 0.00 5.54 1.79 -1.95 0.27 116.57 121.29 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 0.52 -0.03 0.00 0.39 -1.08 0.00 0.00 179.45 179.25 1kbw n GLU 158 N -5.45 0.28 -0.17 3.15 4.71 -1.26 -4.95 120.64 116.95 1kbw n GLU 158 Ca 0.07 0.09 0.02 0.00 -0.01 0.00 0.00 57.16 57.33 1kbw n GLU 158 Cb 0.35 -1.50 -0.01 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 0.51 -2.01 3.93 0.62 0.00 0.96 -4.95 105.19 104.25 1kbw n GLY 159 Ca 0.10 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 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 -5.19 4.31 0.42 0.99 1.43 -1.26 -4.70 118.68 114.68 1kbw s LEU 160 Ca 0.00 0.30 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1kbw s LEU 160 Cb 0.00 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 1kbw s LEU 160 CO 0.00 0.07 1.03 -2.65 0.23 0.00 0.00 176.35 175.03 1kbw n PRO 161 N -0.26 1.40 -1.98 1.29 -0.02 -1.26 -4.91 135.00 129.26 1kbw n PRO 161 Ca -0.05 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 1kbw n PRO 161 Cb 0.53 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.35 0.05 -0.52 -0.14 -1.26 -5.03 119.74 114.16 1kbw s LYS 162 Ca 0.63 2.03 -0.02 0.00 -1.36 0.00 0.00 55.97 57.25 1kbw s LYS 162 Cb -0.55 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1kbw s LYS 162 CO 0.57 -0.96 0.00 0.08 -0.76 0.00 0.00 175.35 174.28 1kbw s VAL 163 N -1.42 0.19 -0.03 3.17 1.01 -1.26 -5.08 120.40 116.98 1kbw s VAL 163 Ca 0.69 -1.55 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1kbw s VAL 163 Cb -0.35 -1.26 -0.21 0.00 0.00 0.00 0.00 36.38 34.56 1kbw s VAL 163 CO 0.42 -0.86 1.13 0.44 0.00 0.00 0.00 175.10 176.23 1kbw h ASP 164 N 3.38 0.23 -4.19 3.32 3.32 -1.79 -3.46 116.42 117.23 1kbw h ASP 164 Ca -0.34 -0.67 -0.37 0.00 0.02 0.00 0.00 57.03 55.67 1kbw h ASP 164 Cb 1.16 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.38 1kbw h ASP 164 CO 0.60 0.87 -0.77 -0.54 -1.72 0.00 0.00 179.24 177.68 1kbw s LYS 165 N -3.53 0.69 -0.04 3.56 1.02 -0.93 -5.00 119.74 115.50 1kbw s LYS 165 Ca -0.15 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.41 1kbw s LYS 165 Cb 0.02 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.69 1kbw s LYS 165 CO 0.74 0.17 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.97 1kbw s GLU 166 N -0.60 1.59 0.07 1.68 2.02 -1.26 -0.65 118.70 121.55 1kbw s GLU 166 Ca 0.01 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1kbw s GLU 166 Cb -0.05 -1.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 1kbw s GLU 166 CO 0.00 0.20 -0.18 -0.06 0.02 0.00 0.00 175.26 175.24 1kbw s PHE 167 N 0.11 1.58 -0.33 1.61 0.40 -0.59 -4.34 117.98 116.42 1kbw s PHE 167 Ca -0.04 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 55.81 1kbw s PHE 167 Cb -0.11 -0.90 0.03 0.00 0.51 0.00 0.00 43.02 42.55 1kbw s PHE 167 CO 0.02 0.12 0.12 -0.47 0.70 0.00 0.00 175.22 175.71 1kbw s TYR 168 N -1.06 3.22 -0.06 0.36 5.04 0.24 -1.10 117.35 123.99 1kbw s TYR 168 Ca 0.04 -1.19 0.01 0.00 -2.44 0.00 0.00 57.07 53.49 1kbw s TYR 168 Cb -0.09 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 39.93 1kbw s TYR 168 CO 0.03 -0.67 -0.08 0.42 -1.34 0.00 0.00 175.55 173.91 1kbw s ILE 169 N 1.46 0.87 -0.07 3.14 1.09 -0.69 -3.65 121.20 123.35 1kbw s ILE 169 Ca 0.00 -0.31 -0.00 0.00 -1.10 0.00 0.00 60.65 59.24 1kbw s ILE 169 Cb -0.19 -0.84 0.02 0.00 -1.06 0.00 0.00 42.46 40.40 1kbw s ILE 169 CO 0.03 0.30 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.45 1kbw s VAL 170 N 0.88 0.65 0.28 2.92 1.01 -1.26 -0.10 120.40 124.78 1kbw s VAL 170 Ca -0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1kbw s VAL 170 Cb -0.15 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 1kbw s VAL 170 CO 0.01 0.29 0.57 -1.58 0.00 0.00 0.00 175.10 174.39 1kbw s GLN 171 N 1.50 3.70 -0.17 2.72 0.74 0.52 -0.46 119.66 128.21 1kbw s GLN 171 Ca -0.01 0.14 -0.27 0.00 0.05 0.00 0.00 55.36 55.27 1kbw s GLN 171 Cb -0.13 -2.62 0.07 0.00 1.10 0.00 0.00 33.01 31.43 1kbw s GLN 171 CO -0.04 0.22 0.69 0.20 -0.55 0.00 0.00 175.29 175.82 1kbw s GLY 172 N -2.89 -0.55 -0.16 2.59 0.00 -0.43 -0.97 107.32 104.91 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 0.27 1.38 0.11 0.51 0.00 0.00 0.00 173.10 175.37 1kbw s ASP 173 N -0.32 6.06 -0.05 1.64 1.47 0.49 -1.51 116.67 124.45 1kbw s ASP 173 Ca -0.05 0.28 0.04 0.00 1.18 0.00 0.00 52.55 54.00 1kbw s ASP 173 Cb -0.03 -2.00 -0.02 0.00 -0.34 0.00 0.00 42.92 40.53 1kbw s ASP 173 CO 0.05 0.28 -0.17 -0.36 0.68 0.00 0.00 175.17 175.65 1kbw s PHE 174 N -0.26 2.62 -0.35 2.11 0.08 0.24 -4.25 117.98 118.17 1kbw s PHE 174 Ca 0.10 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 1kbw s PHE 174 Cb -0.12 -1.62 0.06 0.00 -0.57 0.00 0.00 43.02 40.77 1kbw s PHE 174 CO 0.01 0.09 0.11 0.71 -0.10 0.00 0.00 175.22 176.04 1kbw s TYR 175 N -0.60 3.32 -0.08 0.36 1.51 -1.26 -1.27 117.35 119.33 1kbw s TYR 175 Ca 0.09 -1.72 -0.02 0.00 -1.01 0.00 0.00 57.07 54.41 1kbw s TYR 175 Cb -0.11 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1kbw s TYR 175 CO 0.01 -0.80 0.02 0.99 -1.11 0.00 0.00 175.55 174.66 1kbw s THR 176 N 1.32 4.46 0.09 -0.71 2.01 -1.26 -1.51 115.64 120.04 1kbw s THR 176 Ca -0.01 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.52 1kbw s THR 176 Cb -0.21 -2.90 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 1kbw s THR 176 CO 0.01 0.57 1.73 0.50 -0.69 0.00 0.00 174.62 176.74 1kbw h LYS 177 N 5.01 -0.07 -7.54 4.92 3.64 -1.61 -3.43 116.57 117.49 1kbw h LYS 177 Ca -0.51 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.40 1kbw h LYS 177 Cb 1.19 0.01 0.10 0.00 -0.41 0.00 0.00 32.23 33.13 1kbw h LYS 177 CO 0.55 -0.04 0.39 0.20 -2.27 0.00 0.00 179.45 178.28 1kbw s GLY 178 N -2.21 1.60 0.45 5.01 0.00 -1.26 -5.04 107.32 105.87 1kbw s GLY 178 Ca -0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 1kbw s GLY 178 CO 0.66 -0.05 0.74 -1.59 0.00 0.00 0.00 173.10 172.86 1kbw s LYS 179 N -5.44 3.54 -0.14 2.90 -2.85 -1.26 -4.91 119.74 111.58 1kbw s LYS 179 Ca 0.61 0.12 -0.40 0.00 -1.00 0.00 0.00 55.97 55.30 1kbw s LYS 179 Cb -0.12 -2.43 -0.19 0.00 -2.06 0.00 0.00 37.83 33.03 1kbw s LYS 179 CO 0.51 -0.14 1.18 1.17 0.10 0.00 0.00 175.35 178.17 1kbw n LYS 180 N -2.13 0.00 0.00 1.78 0.00 -1.26 -0.89 118.16 115.66 1kbw n LYS 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1kbw n LYS 180 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.14 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 2.15 2.60 3.68 3.14 0.00 -1.26 -5.03 105.19 110.47 1kbw n GLY 181 Ca 0.22 -0.12 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 0.82 -1.14 4.61 0.00 -0.07 -4.91 120.51 119.82 1kbw n ALA 182 Ca 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 1kbw n ALA 182 Cb 0.00 -2.47 0.12 0.00 0.00 0.00 0.00 19.45 17.10 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 3.84 1.75 0.07 0.00 -1.52 -1.26 -4.75 119.66 117.78 1kbw s GLN 183 Ca 0.92 1.14 0.00 0.00 -1.95 0.00 0.00 55.36 55.47 1kbw s GLN 183 Cb -0.72 -1.84 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 1kbw s GLN 183 CO 0.52 -1.99 0.00 0.41 -0.25 0.00 0.00 175.29 173.98 1kbw n GLY 184 N -0.92 -3.33 3.63 3.09 0.00 -0.02 -4.86 105.19 102.79 1kbw n GLY 184 Ca 0.09 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.91 -0.26 0.99 2.96 -1.26 -1.10 118.68 123.91 1kbw s LEU 185 Ca 0.00 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.11 1kbw s LEU 185 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1kbw s LEU 185 CO 0.00 -1.09 0.23 -1.10 -1.32 0.00 0.00 176.35 173.07 1kbw s GLN 186 N 4.22 4.01 0.67 1.98 -1.52 0.53 -4.93 119.66 124.61 1kbw s GLN 186 Ca 0.59 -0.20 -0.12 0.00 -1.95 0.00 0.00 55.36 53.68 1kbw s GLN 186 Cb -0.19 -3.62 0.00 0.00 -0.22 0.00 0.00 33.01 28.98 1kbw s GLN 186 CO 0.24 -0.13 1.06 -2.14 -0.25 0.00 0.00 175.29 174.07 1kbw s PRO 187 N 1.62 2.98 0.34 2.91 0.02 -1.26 -4.44 135.00 137.16 1kbw s PRO 187 Ca 0.09 1.05 -0.28 0.00 0.02 0.00 0.00 61.00 61.88 1kbw s PRO 187 Cb -0.15 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.28 1kbw s PRO 187 CO 0.09 -1.07 1.26 0.12 -0.33 0.00 0.00 177.00 177.07 1kbw s PHE 188 N -2.86 3.11 -0.38 6.54 5.36 -1.26 -1.73 117.98 126.75 1kbw s PHE 188 Ca 0.60 1.48 -0.01 0.00 -0.96 0.00 0.00 56.93 58.04 1kbw s PHE 188 Cb -0.15 -3.58 0.10 0.00 -0.34 0.00 0.00 43.02 39.05 1kbw s PHE 188 CO 0.50 -1.62 0.15 0.34 -1.46 0.00 0.00 175.22 173.13 1kbw s ASP 189 N -0.65 5.10 0.26 6.13 -1.08 -0.57 -4.69 116.67 121.17 1kbw s ASP 189 Ca 0.50 -2.02 -0.02 0.00 -0.52 0.00 0.00 52.55 50.48 1kbw s ASP 189 Cb -0.37 -1.77 0.44 0.00 -1.46 0.00 0.00 42.92 39.76 1kbw s ASP 189 CO 0.49 -0.48 1.84 -0.03 0.52 0.00 0.00 175.17 177.51 1kbw h MET 190 N 7.92 0.96 -0.63 4.34 1.85 -1.94 -2.39 114.93 125.04 1kbw h MET 190 Ca -0.11 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 58.86 1kbw h MET 190 Cb 1.04 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.83 1kbw h MET 190 CO 0.64 0.63 0.15 -0.44 -0.40 0.00 0.00 176.91 177.50 1kbw h ASP 191 N 0.99 0.96 -0.06 1.39 3.32 -1.99 -1.28 116.42 119.74 1kbw h ASP 191 Ca 0.43 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1kbw h ASP 191 Cb 0.32 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1kbw h ASP 191 CO -0.22 0.95 -0.38 0.11 -1.72 0.00 0.00 179.24 177.98 1kbw h LYS 192 N 0.94 0.57 0.25 3.56 1.57 -1.82 -2.12 116.57 119.51 1kbw h LYS 192 Ca 0.20 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1kbw h LYS 192 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1kbw h LYS 192 CO 0.00 0.86 -0.12 0.00 -0.57 0.00 0.00 179.45 179.63 1kbw h ALA 193 N 1.11 -0.33 -0.21 3.86 0.00 -1.14 0.65 119.26 123.19 1kbw h ALA 193 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kbw h ALA 193 Cb 0.87 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1kbw h ALA 193 CO 0.07 -0.68 0.13 0.28 0.00 0.00 0.00 179.25 179.05 1kbw h VAL 194 N -0.34 1.06 -0.01 0.00 2.07 -1.16 -0.72 116.25 117.16 1kbw h VAL 194 Ca -0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1kbw h VAL 194 Cb 0.26 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1kbw h VAL 194 CO 0.06 0.06 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 1kbw n ALA 195 N -2.51 2.88 -3.38 1.67 0.00 -0.81 -4.95 120.51 113.41 1kbw n ALA 195 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 1kbw n ALA 195 Cb 0.08 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.69 -6.57 -3.85 0.00 1.02 0.07 -4.98 120.64 105.65 1kbw n GLU 196 Ca 0.14 0.74 -0.28 0.00 -0.02 0.00 0.00 57.16 57.74 1kbw n GLU 196 Cb 0.31 -5.49 -0.12 0.00 -0.02 0.00 0.00 31.44 26.13 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 -5.77 2.30 0.60 3.49 -1.52 -0.34 -5.03 119.66 113.39 1kbw s GLN 197 Ca 0.31 -3.22 -0.15 0.00 -1.95 0.00 0.00 55.36 50.34 1kbw s GLN 197 Cb -0.13 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.41 1kbw s GLN 197 CO 0.64 -1.30 1.05 -1.25 -0.25 0.00 0.00 175.29 174.18 1kbw s PRO 198 N -1.30 3.37 -0.17 2.91 0.04 -1.26 -4.71 135.00 133.88 1kbw s PRO 198 Ca 0.26 1.12 0.11 0.00 0.04 0.00 0.00 61.00 62.52 1kbw s PRO 198 Cb -0.04 -2.04 -0.23 0.00 0.04 0.00 0.00 34.50 32.23 1kbw s PRO 198 CO -0.17 -0.76 0.18 0.39 0.04 0.00 0.00 177.00 176.67 1kbw n GLU 199 N -2.14 0.68 -4.81 4.56 -0.58 -0.39 -4.92 120.64 113.04 1kbw n GLU 199 Ca 0.08 0.13 -0.26 0.00 -0.42 0.00 0.00 57.16 56.69 1kbw n GLU 199 Cb 0.53 -1.60 -0.16 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.65 -0.22 -0.32 1.51 -1.06 -4.58 117.35 111.80 1kbw s TYR 200 Ca -0.15 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1kbw s TYR 200 Cb 0.07 -1.11 0.06 0.00 -0.11 0.00 0.00 41.96 40.88 1kbw s TYR 200 CO 0.77 -0.15 -0.00 0.08 -1.11 0.00 0.00 175.55 175.15 1kbw s VAL 201 N -0.01 1.02 0.25 0.71 1.01 -0.46 0.80 120.40 123.72 1kbw s VAL 201 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1kbw s VAL 201 Cb -0.11 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1kbw s VAL 201 CO 0.02 -0.19 0.01 0.68 0.00 0.00 0.00 175.10 175.62 1kbw s VAL 202 N 1.62 1.03 -0.17 2.92 -7.23 -0.57 0.50 120.40 118.50 1kbw s VAL 202 Ca -0.03 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 1kbw s VAL 202 Cb -0.18 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1kbw s VAL 202 CO -0.08 -0.25 0.04 -0.36 -0.31 0.00 0.00 175.10 174.15 1kbw s PHE 203 N -3.42 3.22 -1.21 2.82 0.08 -1.26 -1.32 117.98 116.88 1kbw s PHE 203 Ca 0.30 0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.35 1kbw s PHE 203 Cb 0.06 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1kbw s PHE 203 CO 0.10 0.14 0.84 0.09 -0.10 0.00 0.00 175.22 176.29 1kbw n ASN 204 N 3.45 -2.78 0.00 1.36 5.03 0.39 -3.94 115.26 118.78 1kbw n ASN 204 Ca -0.17 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.52 1kbw n ASN 204 Cb 0.52 -4.52 0.00 0.00 -1.02 0.00 0.00 39.78 34.77 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 -1.39 0.49 3.17 7.41 0.00 -1.20 -4.64 105.19 109.03 1kbw n GLY 205 Ca -0.24 0.00 -0.09 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 -0.91 0.18 0.16 1.61 3.76 -1.25 -4.87 115.29 113.97 1kbw s HIS 206 Ca 0.00 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.06 1kbw s HIS 206 Cb 0.00 -0.10 -0.08 0.00 1.11 0.00 0.00 32.58 33.51 1kbw s HIS 206 CO 0.00 -0.47 1.27 0.08 -0.85 0.00 0.00 174.74 174.78 1kbw s VAL 207 N -3.33 3.44 0.00 -0.90 1.01 0.61 -2.61 120.40 118.62 1kbw s VAL 207 Ca 0.01 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.14 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 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1kbw n GLY 208 N 2.59 0.77 0.36 4.51 0.00 -1.26 -4.80 105.19 107.36 1kbw n GLY 208 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 2.05 0.00 4.61 0.00 -1.74 -1.78 119.26 122.40 1kbw h ALA 209 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1kbw h ALA 209 Cb 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1kbw h ALA 209 CO 0.00 -0.48 -0.61 1.28 0.00 0.00 0.00 179.25 179.44 1kbw n LEU 210 N -3.89 2.37 -4.31 0.00 4.77 -1.26 -4.79 117.00 109.89 1kbw n LEU 210 Ca 0.05 -3.52 -0.16 0.00 -0.03 0.00 0.00 56.01 52.35 1kbw n LEU 210 Cb 0.48 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1kbw n LEU 210 CO 0.29 1.22 -0.26 -0.89 -1.33 0.00 0.00 177.39 176.42 1kbw s THR 211 N -2.59 0.56 0.00 -5.08 2.01 -0.67 0.15 115.64 110.01 1kbw s THR 211 Ca 0.37 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.37 1kbw s THR 211 Cb 0.37 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1kbw s THR 211 CO -0.09 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1kbw n GLY 212 N -0.44 3.53 0.18 4.40 0.00 -1.26 -0.55 105.19 111.06 1kbw n GLY 212 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.52 1.61 3.32 -1.97 -0.93 116.42 117.93 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 -2.37 3.56 -4.72 6.45 3.02 0.29 -5.00 115.26 116.50 1kbw n ASN 214 Ca -0.01 -1.98 -0.39 0.00 -0.03 0.00 0.00 54.58 52.18 1kbw n ASN 214 Cb 0.08 -0.34 0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.41 1.29 -1.60 5.41 0.00 -0.36 -3.96 120.51 122.70 1kbw n ALA 215 Ca 0.20 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1kbw n ALA 215 Cb 0.58 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 -3.12 3.45 0.01 0.00 1.43 0.90 -4.84 118.68 116.52 1kbw s LEU 216 Ca 0.72 1.90 0.04 0.00 -1.03 0.00 0.00 54.13 55.76 1kbw s LEU 216 Cb -0.42 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.24 1kbw s LEU 216 CO 0.49 -1.37 -0.12 -0.54 0.23 0.00 0.00 176.35 175.03 1kbw s LYS 217 N -4.08 0.89 0.21 1.70 1.02 -1.26 -0.36 119.74 117.86 1kbw s LYS 217 Ca 0.65 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.97 1kbw s LYS 217 Cb -0.18 -0.86 -0.00 0.00 -0.52 0.00 0.00 37.83 36.27 1kbw s LYS 217 CO 0.39 0.22 0.42 0.00 -0.92 0.00 0.00 175.35 175.47 1kbw s ALA 218 N -0.54 -0.27 0.05 5.17 0.00 -0.73 -4.95 121.76 120.47 1kbw s ALA 218 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1kbw s ALA 218 Cb -0.06 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1kbw s ALA 218 CO 0.00 -0.78 -0.14 0.15 0.00 0.00 0.00 175.76 174.99 1kbw s LYS 219 N -3.98 2.19 0.21 0.00 1.02 -1.26 -1.17 119.74 116.75 1kbw s LYS 219 Ca 0.19 -0.93 -0.32 0.00 0.02 0.00 0.00 55.97 54.93 1kbw s LYS 219 Cb 0.01 -2.28 -0.15 0.00 -0.52 0.00 0.00 37.83 34.89 1kbw s LYS 219 CO 0.04 0.55 1.25 0.00 -0.92 0.00 0.00 175.35 176.27 1kbw n ALA 220 N 1.37 0.05 0.00 5.17 0.00 0.63 -1.79 120.51 125.94 1kbw n ALA 220 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1kbw n ALA 220 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.99 1.79 3.81 0.00 0.00 0.27 -4.95 105.19 108.09 1kbw n GLY 221 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.94 4.18 -0.19 1.61 2.02 -0.74 -4.80 118.70 119.85 1kbw s GLU 222 Ca 0.00 1.19 -0.14 0.00 0.02 0.00 0.00 54.97 56.04 1kbw s GLU 222 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1kbw s GLU 222 CO 0.00 -0.08 0.29 0.95 0.02 0.00 0.00 175.26 176.44 1kbw s THR 223 N -2.08 5.29 -0.11 3.63 -4.23 -1.26 -1.35 115.64 115.53 1kbw s THR 223 Ca 0.62 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1kbw s THR 223 Cb -0.11 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1kbw s THR 223 CO 0.15 0.35 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.78 1kbw s VAL 224 N 0.78 3.22 -0.13 2.29 1.01 0.10 -2.00 120.40 125.68 1kbw s VAL 224 Ca 0.15 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1kbw s VAL 224 Cb -0.13 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1kbw s VAL 224 CO 0.05 0.54 -0.17 -0.60 0.00 0.00 0.00 175.10 174.92 1kbw s ARG 225 N 0.02 3.24 -0.15 2.72 3.52 0.17 -1.34 118.95 127.13 1kbw s ARG 225 Ca -0.03 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1kbw s ARG 225 Cb -0.14 -2.53 -0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1kbw s ARG 225 CO 0.04 0.15 -0.16 -1.64 -0.81 0.00 0.00 175.30 172.87 1kbw s MET 226 N 0.48 3.20 -0.55 5.12 -1.94 0.50 -1.55 119.30 124.55 1kbw s MET 226 Ca -0.12 -0.77 -0.19 0.00 -1.71 0.00 0.00 55.69 52.90 1kbw s MET 226 Cb -0.16 -2.58 0.08 0.00 2.01 0.00 0.00 34.83 34.17 1kbw s MET 226 CO 0.05 0.04 0.69 0.71 -0.01 0.00 0.00 175.02 176.50 1kbw s TYR 227 N 0.74 3.00 -0.31 -0.03 1.51 -0.26 -1.96 117.35 120.04 1kbw s TYR 227 Ca -0.07 -0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 1kbw s TYR 227 Cb -0.16 -3.80 -0.02 0.00 -0.11 0.00 0.00 41.96 37.87 1kbw s TYR 227 CO 0.01 -1.19 0.18 0.08 -1.11 0.00 0.00 175.55 173.51 1kbw s VAL 228 N 2.78 4.92 0.17 0.71 1.01 -0.26 -1.70 120.40 128.02 1kbw s VAL 228 Ca 0.14 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1kbw s VAL 228 Cb -0.21 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1kbw s VAL 228 CO 0.10 0.11 0.00 -0.83 0.00 0.00 0.00 175.10 174.48 1kbw s GLY 229 N 1.68 1.74 -0.36 4.51 0.00 0.86 -1.15 107.32 114.60 1kbw s GLY 229 Ca 0.06 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.44 1kbw s GLY 229 CO 0.08 -1.36 0.13 0.21 0.00 0.00 0.00 173.10 172.17 1kbw s ASN 230 N -2.90 4.09 0.43 1.64 3.84 -0.34 -0.36 114.94 121.33 1kbw s ASN 230 Ca 0.27 -2.08 0.29 0.00 0.21 0.00 0.00 52.86 51.56 1kbw s ASN 230 Cb -0.09 -1.10 1.16 0.00 -0.55 0.00 0.00 41.25 40.67 1kbw s ASN 230 CO 0.19 -0.36 1.86 1.23 -2.79 0.00 0.00 177.10 177.23 1kbw h GLY 231 N 7.54 0.00 0.00 1.21 0.00 -1.34 0.29 103.07 110.77 1kbw h GLY 231 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1kbw h GLY 231 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1kbw n GLY 232 N 0.13 0.32 0.31 4.60 0.00 -1.25 -4.36 105.19 104.94 1kbw n GLY 232 Ca 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 0.95 0.00 1.61 0.11 -1.86 0.14 132.00 132.95 1kbw h PRO 233 Ca 0.00 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.84 1kbw h PRO 233 Cb 0.00 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 30.86 1kbw h PRO 233 CO 0.00 0.63 -1.80 0.09 -0.21 0.00 0.00 178.00 176.72 1kbw n ASN 234 N -4.60 2.27 -4.81 -2.05 3.02 -1.26 -4.80 115.26 103.03 1kbw n ASN 234 Ca 0.10 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1kbw n ASN 234 Cb 0.10 0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 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 -4.99 3.80 -0.15 3.41 1.43 -1.26 -4.86 118.68 116.05 1kbw s LEU 235 Ca -0.08 1.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 1kbw s LEU 235 Cb 0.04 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 1kbw s LEU 235 CO 0.45 -0.72 -0.05 -0.69 0.23 0.00 0.00 176.35 175.57 1kbw s VAL 236 N -2.14 3.78 -0.07 -1.59 1.01 -1.26 -4.13 120.40 116.00 1kbw s VAL 236 Ca 0.65 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 1kbw s VAL 236 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1kbw s VAL 236 CO 0.21 0.50 0.23 -0.55 0.00 0.00 0.00 175.10 175.49 1kbw s SER 237 N 0.37 6.52 -1.00 3.32 0.15 -0.82 -4.92 113.70 117.33 1kbw s SER 237 Ca -0.05 0.62 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 1kbw s SER 237 Cb -0.14 -2.12 0.29 0.00 -1.71 0.00 0.00 66.02 62.33 1kbw s SER 237 CO 0.03 0.37 1.27 -1.20 1.20 0.00 0.00 173.24 174.90 1kbw n SER 238 N 1.82 5.72 -4.72 5.45 7.64 -1.26 -0.29 113.62 127.98 1kbw n SER 238 Ca -0.17 -3.35 -0.42 0.00 1.01 0.00 0.00 58.87 55.93 1kbw n SER 238 Cb 0.54 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.49 2.70 -3.62 1.43 7.35 0.57 0.08 117.46 127.46 1kbw n PHE 239 Ca 0.26 0.22 -0.16 0.00 -0.76 0.00 0.00 57.45 57.02 1kbw n PHE 239 Cb 0.35 -2.60 -0.07 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 0.35 -0.45 -0.24 -5.13 5.65 -0.86 -1.44 115.29 113.17 1kbw s HIS 240 Ca 0.68 0.72 0.02 0.00 0.25 0.00 0.00 55.06 56.73 1kbw s HIS 240 Cb -0.53 0.28 0.05 0.00 -1.18 0.00 0.00 32.58 31.20 1kbw s HIS 240 CO 0.44 -0.53 -0.13 0.08 -0.65 0.00 0.00 174.74 173.95 1kbw s VAL 241 N -1.42 2.18 0.05 0.89 1.01 -1.26 -0.90 120.40 120.94 1kbw s VAL 241 Ca -0.11 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 1kbw s VAL 241 Cb -0.02 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1kbw s VAL 241 CO 0.06 0.12 1.84 -0.63 0.00 0.00 0.00 175.10 176.49 1kbw s ILE 242 N 1.16 2.98 0.00 2.22 1.01 0.36 -1.84 121.20 127.09 1kbw s ILE 242 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1kbw s ILE 242 Cb -0.18 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1kbw s ILE 242 CO -0.07 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1kbw n GLY 243 N 4.32 0.66 3.24 6.18 0.00 -1.26 -3.40 105.19 114.94 1kbw n GLY 243 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.85 1.15 -0.01 1.61 2.56 -0.76 -5.08 118.70 117.31 1kbw s GLU 244 Ca 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 54.97 53.52 1kbw s GLU 244 Cb 0.00 0.29 -0.01 0.00 2.00 0.00 0.00 34.13 36.41 1kbw s GLU 244 CO 0.00 -0.38 -0.13 0.42 -0.56 0.00 0.00 175.26 174.61 1kbw s ILE 245 N -4.09 1.00 -0.30 -3.70 1.01 -1.26 -4.67 121.20 109.18 1kbw s ILE 245 Ca 0.31 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1kbw s ILE 245 Cb 0.06 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1kbw s ILE 245 CO 0.07 0.28 1.30 -0.36 0.00 0.00 0.00 174.94 176.24 1kbw s PHE 246 N -0.25 2.69 0.05 3.97 2.99 -0.30 -4.74 117.98 122.40 1kbw s PHE 246 Ca 0.04 0.87 -0.20 0.00 0.00 0.00 0.00 56.93 57.64 1kbw s PHE 246 Cb -0.05 -3.92 -0.13 0.00 0.00 0.00 0.00 43.02 38.93 1kbw s PHE 246 CO -0.00 -1.69 1.39 -0.44 -0.00 0.00 0.00 175.22 174.48 1kbw h ASP 247 N 9.29 0.41 -4.28 1.36 3.32 -1.18 0.07 116.42 125.42 1kbw h ASP 247 Ca -0.26 -0.44 -0.39 0.00 0.02 0.00 0.00 57.03 55.96 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 1.03 0.76 -0.78 -0.54 -1.72 0.00 0.00 179.24 178.00 1kbw s LYS 248 N -4.48 0.76 -0.08 3.56 1.02 -0.84 -3.15 119.74 116.54 1kbw s LYS 248 Ca -0.14 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 1kbw s LYS 248 Cb 0.06 -0.72 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 1kbw s LYS 248 CO 0.75 0.18 0.05 0.08 -0.92 0.00 0.00 175.35 175.50 1kbw s VAL 249 N -0.68 0.03 -0.74 3.17 1.01 0.03 -1.23 120.40 121.99 1kbw s VAL 249 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 1kbw s VAL 249 Cb -0.06 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.02 1kbw s VAL 249 CO 0.00 0.09 1.12 -0.31 0.00 0.00 0.00 175.10 176.01 1kbw s TYR 250 N 2.10 2.57 -0.29 5.22 1.51 0.07 0.15 117.35 128.69 1kbw s TYR 250 Ca 0.04 -0.49 -0.39 0.00 -1.01 0.00 0.00 57.07 55.22 1kbw s TYR 250 Cb -0.13 -4.44 -0.15 0.00 -0.11 0.00 0.00 41.96 37.13 1kbw s TYR 250 CO -0.05 -1.80 1.82 0.28 -1.11 0.00 0.00 175.55 174.69 1kbw n VAL 251 N 6.12 0.31 -1.99 0.71 0.31 0.11 -0.99 118.33 122.91 1kbw n VAL 251 Ca 0.04 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 1kbw n VAL 251 Cb 0.47 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 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 5.86 -1.73 -0.99 5.55 1.02 -1.25 -1.31 120.64 127.79 1kbw n GLU 252 Ca 0.29 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1kbw n GLU 252 Cb 0.14 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.28 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 -0.61 0.69 0.00 0.62 0.00 -0.16 -4.31 105.19 101.42 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 -2.51 0.69 0.13 -0.02 0.00 -0.43 -3.65 105.19 99.39 1kbw n GLY 254 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 0.69 0.89 -1.17 -2.27 0.00 0.00 179.45 177.60 1kbw s LEU 256 N -7.53 4.37 -0.13 5.20 2.96 -1.26 -4.92 118.68 117.36 1kbw s LEU 256 Ca -0.01 2.69 0.01 0.00 -0.22 0.00 0.00 54.13 56.60 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 -0.85 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.16 1kbw s ILE 257 N 0.97 2.57 0.28 6.68 1.01 -1.26 -0.71 121.20 130.74 1kbw s ILE 257 Ca 0.69 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.60 1kbw s ILE 257 Cb -0.45 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1kbw s ILE 257 CO 0.34 0.53 0.15 0.21 0.00 0.00 0.00 174.94 176.17 1kbw s ASN 258 N 0.54 5.12 0.03 3.58 3.04 0.12 -4.91 114.94 122.46 1kbw s ASN 258 Ca -0.11 -0.46 0.01 0.00 0.04 0.00 0.00 52.86 52.34 1kbw s ASN 258 Cb -0.16 -1.10 -0.02 0.00 -1.54 0.00 0.00 41.25 38.43 1kbw s ASN 258 CO 0.04 -0.11 -0.05 -1.61 -3.04 0.00 0.00 177.10 172.33 1kbw s GLU 259 N -3.82 0.40 -1.03 0.43 2.02 -1.26 -0.79 118.70 114.65 1kbw s GLU 259 Ca 0.34 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 1kbw s GLU 259 Cb -0.06 -0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.00 1kbw s GLU 259 CO 0.24 0.02 0.88 0.09 0.02 0.00 0.00 175.26 176.50 1kbw n ASN 260 N 1.78 -4.24 -4.43 -0.19 5.03 -0.05 -5.01 115.26 108.15 1kbw n ASN 260 Ca -0.21 -0.61 -0.33 0.00 0.87 0.00 0.00 54.58 54.29 1kbw n ASN 260 Cb 0.56 -4.78 -0.13 0.00 -1.02 0.00 0.00 39.78 34.40 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 -3.34 3.37 0.04 2.41 1.01 -0.84 -4.92 120.40 118.12 1kbw s VAL 261 Ca 0.22 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1kbw s VAL 261 Cb -0.03 -2.43 -0.23 0.00 0.00 0.00 0.00 36.38 33.70 1kbw s VAL 261 CO 0.67 0.52 0.98 0.06 0.00 0.00 0.00 175.10 177.34 1kbw h GLN 262 N 6.51 0.03 -2.36 2.72 3.07 -1.91 -0.78 115.11 122.38 1kbw h GLN 262 Ca -0.30 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.34 1kbw h GLN 262 Cb 1.20 0.02 -0.25 0.00 0.08 0.00 0.00 27.48 28.53 1kbw h GLN 262 CO 0.57 0.81 -0.23 0.45 0.09 0.00 0.00 178.83 180.52 1kbw s SER 263 N -6.49 -0.62 0.14 0.06 0.15 -1.26 -4.40 113.70 101.28 1kbw s SER 263 Ca -0.02 1.17 0.09 0.00 0.70 0.00 0.00 55.95 57.88 1kbw s SER 263 Cb 0.09 1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 65.72 1kbw s SER 263 CO 0.83 -0.22 -0.15 0.42 1.20 0.00 0.00 173.24 175.32 1kbw s THR 264 N 2.14 2.99 0.02 6.45 -4.23 -0.52 -4.90 115.64 117.59 1kbw s THR 264 Ca -0.06 -1.54 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1kbw s THR 264 Cb -0.10 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1kbw s THR 264 CO -0.15 0.03 0.91 -0.63 -0.54 0.00 0.00 174.62 174.24 1kbw s ILE 265 N -1.34 4.79 -0.29 2.99 -1.09 -1.25 -0.32 121.20 124.69 1kbw s ILE 265 Ca 0.20 1.92 0.01 0.00 -2.23 0.00 0.00 60.65 60.55 1kbw s ILE 265 Cb -0.10 -4.25 0.06 0.00 -1.58 0.00 0.00 42.46 36.59 1kbw s ILE 265 CO 0.12 0.24 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.34 1kbw s VAL 266 N 0.59 2.56 0.78 2.92 1.01 0.60 -4.69 120.40 124.18 1kbw s VAL 266 Ca 0.47 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1kbw s VAL 266 Cb -0.21 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1kbw s VAL 266 CO 0.26 -0.15 1.15 -2.65 0.00 0.00 0.00 175.10 173.71 1kbw n PRO 267 N 4.50 0.34 -2.05 2.72 -0.02 -1.26 -1.95 135.00 137.28 1kbw n PRO 267 Ca -0.11 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1kbw n PRO 267 Cb 0.42 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.99 3.56 -1.82 3.55 0.00 -1.26 -0.57 121.76 123.23 1kbw s ALA 268 Ca 0.74 1.31 0.00 0.00 0.00 0.00 0.00 51.96 54.01 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 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1kbw n GLY 269 N 1.42 1.70 0.49 0.00 0.00 0.10 -4.95 105.19 103.96 1kbw n GLY 269 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.83 4.06 3.27 -0.02 0.00 0.26 -4.74 105.19 107.19 1kbw n GLY 270 Ca -0.17 -2.11 -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 -1.43 -1.56 -3.52 1.61 3.41 -1.26 -1.20 113.62 109.67 1kbw n SER 271 Ca -0.02 -2.68 -0.16 0.00 -0.26 0.00 0.00 58.87 55.75 1kbw n SER 271 Cb 0.09 2.77 -0.05 0.00 -0.26 0.00 0.00 64.21 66.76 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 -2.47 -1.78 -0.15 7.33 0.00 -0.30 -1.82 121.76 122.58 1kbw s ALA 272 Ca 0.23 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1kbw s ALA 272 Cb -0.02 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1kbw s ALA 272 CO 0.17 -0.42 -0.18 0.42 0.00 0.00 0.00 175.76 175.75 1kbw s ILE 273 N -1.54 1.81 0.01 0.00 1.01 -1.24 -1.11 121.20 120.16 1kbw s ILE 273 Ca -0.08 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.85 1kbw s ILE 273 Cb -0.00 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1kbw s ILE 273 CO 0.05 0.50 -0.25 0.68 0.00 0.00 0.00 174.94 175.92 1kbw s VAL 274 N 1.14 1.99 -0.01 2.92 -7.23 -0.83 -0.75 120.40 117.63 1kbw s VAL 274 Ca -0.01 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 1kbw s VAL 274 Cb -0.14 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1kbw s VAL 274 CO -0.07 0.44 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.43 1kbw s GLU 275 N -0.90 1.03 -0.04 4.82 2.02 -0.36 -0.37 118.70 124.89 1kbw s GLU 275 Ca 0.10 -0.43 -0.27 0.00 0.02 0.00 0.00 54.97 54.39 1kbw s GLU 275 Cb -0.10 -0.98 0.06 0.00 0.10 0.00 0.00 34.13 33.21 1kbw s GLU 275 CO 0.01 0.25 0.59 -0.59 0.02 0.00 0.00 175.26 175.54 1kbw s PHE 276 N -0.22 -0.55 -0.22 1.61 -0.12 -0.45 -0.63 117.98 117.40 1kbw s PHE 276 Ca 0.03 0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 57.74 1kbw s PHE 276 Cb -0.05 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1kbw s PHE 276 CO -0.00 -0.56 0.17 0.21 -0.05 0.00 0.00 175.22 174.98 1kbw s LYS 277 N -1.22 4.12 -0.71 1.99 2.20 -1.26 0.03 119.74 124.89 1kbw s LYS 277 Ca -0.12 -0.22 -0.19 0.00 -0.36 0.00 0.00 55.97 55.09 1kbw s LYS 277 Cb -0.01 -3.50 0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1kbw s LYS 277 CO 0.09 0.14 0.84 0.08 -0.36 0.00 0.00 175.35 176.14 1kbw s VAL 278 N 0.83 4.83 -2.17 4.02 1.01 -0.45 -4.89 120.40 123.58 1kbw s VAL 278 Ca 0.08 -1.23 0.28 0.00 0.00 0.00 0.00 61.98 61.12 1kbw s VAL 278 Cb -0.13 -4.58 0.52 0.00 0.00 0.00 0.00 36.38 32.19 1kbw s VAL 278 CO 0.03 -1.25 1.78 -0.90 0.00 0.00 0.00 175.10 174.76 1kbw n ASP 279 N 6.27 1.08 -3.75 3.32 3.85 -1.26 0.95 116.55 127.01 1kbw n ASP 279 Ca 0.02 -1.19 -0.12 0.00 -0.71 0.00 0.00 54.79 52.78 1kbw n ASP 279 Cb 0.45 0.02 -0.11 0.00 -1.35 0.00 0.00 41.12 40.12 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 -2.17 -0.01 0.92 2.12 2.07 -1.26 -4.53 121.20 118.34 1kbw s ILE 280 Ca 0.35 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.51 1kbw s ILE 280 Cb 0.21 -0.43 0.06 0.00 0.13 0.00 0.00 42.46 42.42 1kbw s ILE 280 CO 0.40 0.02 0.63 -2.65 -1.91 0.00 0.00 174.94 171.42 1kbw n PRO 281 N 3.33 -0.28 0.00 3.50 -0.02 -1.26 -4.93 135.00 135.34 1kbw n PRO 281 Ca -0.17 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1kbw n PRO 281 Cb 0.57 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.17 1.01 3.52 -1.23 0.00 -0.67 -4.96 105.19 104.04 1kbw n GLY 282 Ca 0.08 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.90 5.38 -0.16 1.61 0.01 -1.26 -0.94 114.94 118.68 1kbw s ASN 283 Ca 0.00 -0.09 -0.02 0.00 -0.71 0.00 0.00 52.86 52.03 1kbw s ASN 283 Cb 0.00 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.69 1kbw s ASN 283 CO 0.00 0.03 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.23 1kbw s TYR 284 N 1.23 2.92 -0.18 2.20 1.51 0.01 -4.94 117.35 120.10 1kbw s TYR 284 Ca 0.05 -0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1kbw s TYR 284 Cb -0.14 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1kbw s TYR 284 CO 0.04 -0.20 -0.05 0.95 -1.11 0.00 0.00 175.55 175.18 1kbw s THR 285 N 0.55 3.62 0.15 -0.71 -4.23 -1.22 0.12 115.64 113.93 1kbw s THR 285 Ca -0.05 -0.44 -0.25 0.00 -1.18 0.00 0.00 61.69 59.77 1kbw s THR 285 Cb -0.15 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 1kbw s THR 285 CO 0.03 0.47 0.77 -0.76 -0.54 0.00 0.00 174.62 174.59 1kbw s LEU 286 N 0.76 4.58 0.18 4.79 1.43 -0.26 -0.49 118.68 129.68 1kbw s LEU 286 Ca -0.02 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.60 1kbw s LEU 286 Cb -0.15 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1kbw s LEU 286 CO 0.02 0.19 0.33 0.68 0.23 0.00 0.00 176.35 177.80 1kbw s VAL 287 N -1.01 0.05 -0.28 -1.59 -7.23 -0.08 -1.41 120.40 108.84 1kbw s VAL 287 Ca 0.36 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 59.00 1kbw s VAL 287 Cb -0.23 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1kbw s VAL 287 CO 0.26 -0.21 0.40 -0.62 -0.31 0.00 0.00 175.10 174.62 1kbw s ASP 288 N -2.98 6.27 0.00 4.85 -1.08 -1.23 -2.03 116.67 120.47 1kbw s ASP 288 Ca 0.19 0.25 0.03 0.00 -0.52 0.00 0.00 52.55 52.50 1kbw s ASP 288 Cb 0.02 -2.22 0.20 0.00 -1.46 0.00 0.00 42.92 39.46 1kbw s ASP 288 CO 0.02 -0.23 0.74 1.57 0.52 0.00 0.00 175.17 177.79 1kbw n HIS 289 N 5.39 0.00 -2.25 -5.34 -0.00 0.11 -3.22 115.22 109.91 1kbw n HIS 289 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.22 1kbw n HIS 289 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.59 4.89 -0.05 0.26 7.64 -1.26 -4.83 113.62 119.67 1kbw n SER 290 Ca 0.02 -3.06 0.04 0.00 1.01 0.00 0.00 58.87 56.88 1kbw n SER 290 Cb 0.01 -1.51 0.07 0.00 -1.01 0.00 0.00 64.21 61.77 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 3.68 -0.07 0.31 0.44 2.08 -1.20 -1.11 119.36 123.49 1kbw n ILE 291 Ca 0.42 0.34 0.17 0.00 0.56 0.00 0.00 62.75 64.24 1kbw n ILE 291 Cb 0.37 -0.52 0.75 0.00 -0.75 0.00 0.00 39.64 39.49 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 -0.16 1.39 -1.00 -1.88 -1.75 116.94 113.54 1kbw h PHE 292 Ca 0.12 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.69 1kbw h PHE 292 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1kbw h PHE 292 CO -0.05 0.00 -0.72 0.00 -1.61 0.00 0.00 178.31 175.93 1kbw h ARG 293 N 0.00 0.72 0.31 1.51 3.08 -1.40 -1.55 114.38 117.05 1kbw h ARG 293 Ca 0.00 -0.56 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 1kbw h ARG 293 Cb 0.36 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1kbw h ARG 293 CO 0.00 1.18 -0.15 0.00 -1.07 0.00 0.00 179.97 179.93 1kbw h ALA 294 N 0.67 -0.42 -0.00 0.04 0.00 -1.48 -1.07 119.26 117.01 1kbw h ALA 294 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kbw h ALA 294 Cb 1.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1kbw h ALA 294 CO 0.15 -0.54 -0.31 1.19 0.00 0.00 0.00 179.25 179.74 1kbw n PHE 295 N -5.12 0.00 0.00 0.00 3.01 -0.95 -3.51 117.46 110.89 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 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 -0.94 4.20 -0.14 4.37 3.02 -0.60 -4.81 115.26 120.37 1kbw n ASN 296 Ca 0.10 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.67 1kbw n ASN 296 Cb 0.34 0.76 0.01 0.00 -0.61 0.00 0.00 39.78 40.28 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 -1.35 -0.45 0.00 3.52 5.02 -0.50 -5.00 118.16 119.39 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 0.08 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.20 0.42 2.66 0.72 0.00 -0.64 -1.36 105.19 107.20 1kbw n GLY 298 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.85 5.43 -3.72 4.61 0.00 0.18 -4.43 120.51 120.74 1kbw n ALA 299 Ca 0.00 -3.15 -0.19 0.00 0.00 0.00 0.00 53.44 50.10 1kbw n ALA 299 Cb 0.00 -3.37 -0.17 0.00 0.00 0.00 0.00 19.45 15.91 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 0.84 0.70 0.30 0.00 0.20 -1.26 -3.54 118.68 115.91 1kbw s LEU 300 Ca 0.53 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.39 1kbw s LEU 300 Cb 0.14 -0.25 -0.06 0.00 -0.43 0.00 0.00 46.19 45.59 1kbw s LEU 300 CO -0.02 -0.17 0.02 -0.83 -0.29 0.00 0.00 176.35 175.06 1kbw s GLY 301 N 1.62 1.91 -0.00 7.98 0.00 -0.50 -4.57 107.32 113.76 1kbw s GLY 301 Ca -0.01 -1.97 0.02 0.00 0.00 0.00 0.00 44.72 42.76 1kbw s GLY 301 CO -0.03 -1.79 -0.08 1.20 0.00 0.00 0.00 173.10 172.40 1kbw s GLN 302 N -3.85 0.61 -0.24 2.90 -0.21 0.12 -1.10 119.66 117.90 1kbw s GLN 302 Ca 0.33 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1kbw s GLN 302 Cb 0.07 -0.58 0.06 0.00 1.00 0.00 0.00 33.01 33.56 1kbw s GLN 302 CO 0.13 0.16 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.21 1kbw s LEU 303 N -0.29 2.89 -0.26 2.90 2.96 0.12 -0.07 118.68 126.93 1kbw s LEU 303 Ca 0.02 -1.23 -0.15 0.00 -0.22 0.00 0.00 54.13 52.55 1kbw s LEU 303 Cb -0.03 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1kbw s LEU 303 CO -0.00 -0.21 0.40 -0.54 -1.32 0.00 0.00 176.35 174.68 1kbw s LYS 304 N 1.27 4.05 -0.20 1.98 1.02 0.51 -0.81 119.74 127.56 1kbw s LYS 304 Ca -0.07 0.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 1kbw s LYS 304 Cb -0.19 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1kbw s LYS 304 CO -0.06 -0.25 0.02 0.08 -0.92 0.00 0.00 175.35 174.22 1kbw s VAL 305 N 1.98 4.12 0.16 3.17 1.01 -0.12 -1.78 120.40 128.94 1kbw s VAL 305 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1kbw s VAL 305 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1kbw s VAL 305 CO 0.09 0.42 0.20 -1.61 0.00 0.00 0.00 175.10 174.20 1kbw s GLU 306 N 0.97 3.12 0.00 2.72 2.02 -0.32 -1.66 118.70 125.55 1kbw s GLU 306 Ca 0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1kbw s GLU 306 Cb -0.14 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1kbw s GLU 306 CO 0.02 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1kbw n GLY 307 N -0.42 0.16 3.12 -1.39 0.00 -1.26 0.23 105.19 105.64 1kbw n GLY 307 Ca -0.08 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.00 1.64 0.09 4.61 0.00 -1.26 -4.86 121.76 120.98 1kbw s ALA 308 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 51.96 50.91 1kbw s ALA 308 Cb 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 23.12 22.33 1kbw s ALA 308 CO 0.00 0.23 1.27 0.39 0.00 0.00 0.00 175.76 177.64 1kbw n GLU 309 N 3.50 0.98 -3.86 0.00 1.02 -1.26 -4.68 120.64 116.33 1kbw n GLU 309 Ca -0.20 0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 1kbw n GLU 309 Cb 0.52 -1.95 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 1kbw n GLU 309 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kbw s ASN 310 N 0.33 4.21 0.53 1.62 3.84 -1.26 -4.99 114.94 119.21 1kbw s ASN 310 Ca 0.83 -1.70 0.22 0.00 0.21 0.00 0.00 52.86 52.42 1kbw s ASN 310 Cb -0.98 -1.16 1.44 0.00 -0.55 0.00 0.00 41.25 40.00 1kbw s ASN 310 CO 0.49 -0.37 2.14 -0.65 -2.79 0.00 0.00 177.10 175.93 1kbw h PRO 311 N 7.91 0.00 0.00 0.43 0.11 -1.97 -1.84 132.00 136.64 1kbw h PRO 311 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1kbw h PRO 311 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1kbw h PRO 311 CO 0.47 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.25 1kbw h GLU 312 N 0.00 0.00 0.06 1.05 5.08 -2.04 -2.45 114.58 116.28 1kbw h GLU 312 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1kbw h GLU 312 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1kbw h GLU 312 CO 0.01 0.00 -1.98 -0.89 -1.00 0.00 0.00 179.01 175.15 1kbw n ILE 313 N -2.69 1.64 -0.87 3.13 2.08 -0.70 -5.30 119.36 116.65 1kbw n ILE 313 Ca -0.01 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1kbw n ILE 313 Cb 0.13 -1.77 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 1kbw n ILE 313 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91