#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 s GLU 2 N 0.00 3.18 0.52 0.00 2.02 -1.26 -5.00 118.70 118.15 2bw2 s GLU 2 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2bw2 s GLU 2 Cb 0.00 -4.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 2bw2 s GLU 2 CO 0.00 -1.40 0.04 0.14 0.02 0.00 0.00 175.26 174.06 2bw2 s VAL 3 N 3.21 1.20 0.00 2.63 -7.23 -1.26 -5.07 120.40 113.88 2bw2 s VAL 3 Ca 0.20 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 2bw2 s VAL 3 Cb -0.17 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.54 2bw2 s VAL 3 CO 0.13 0.00 1.98 -1.61 -0.31 0.00 0.00 175.10 175.30 2bw2 s GLU 4 N -3.92 4.02 0.55 4.82 0.41 -1.26 -4.97 118.70 118.35 2bw2 s GLU 4 Ca 0.08 2.52 -0.02 0.00 -0.41 0.00 0.00 54.97 57.15 2bw2 s GLU 4 Cb 0.01 -4.18 0.11 0.00 -1.78 0.00 0.00 34.13 28.29 2bw2 s GLU 4 CO 0.04 -1.09 0.75 -2.39 -0.49 0.00 0.00 175.26 172.09 2bw2 n HIS 5 N 8.03 -3.20 0.03 1.61 1.44 -1.26 -5.02 115.22 116.84 2bw2 n HIS 5 Ca 0.21 -1.20 0.03 0.00 -2.01 0.00 0.00 57.72 54.75 2bw2 n HIS 5 Cb 0.42 -0.55 -0.09 0.00 0.12 0.00 0.00 29.99 29.89 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2bw2 n TYR 6 N -2.57 0.71 -2.96 -1.40 4.01 -1.26 -4.84 117.16 108.86 2bw2 n TYR 6 Ca 0.12 0.23 -0.34 0.00 -0.16 0.00 0.00 57.90 57.75 2bw2 n TYR 6 Cb 0.42 -0.96 -0.07 0.00 -0.31 0.00 0.00 39.34 38.43 2bw2 n TYR 6 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2bw2 s GLU 7 N -3.07 4.21 0.64 -0.72 0.41 -1.26 -5.03 118.70 113.88 2bw2 s GLU 7 Ca -0.04 0.97 -0.18 0.00 -0.41 0.00 0.00 54.97 55.31 2bw2 s GLU 7 Cb 0.09 -2.45 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 2bw2 s GLU 7 CO 0.82 0.13 1.14 -0.35 -0.49 0.00 0.00 175.26 176.52 2bw2 n PRO 8 N -0.19 0.97 -3.21 0.39 -0.04 -1.26 -4.93 135.00 126.72 2bw2 n PRO 8 Ca 0.04 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.46 2bw2 n PRO 8 Cb 0.53 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.54 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bw2 s LEU 9 N -3.38 4.46 -0.82 1.53 1.98 0.23 -4.80 118.68 117.89 2bw2 s LEU 9 Ca 0.80 -0.20 -0.26 0.00 -2.89 0.00 0.00 54.13 51.58 2bw2 s LEU 9 Cb -0.39 -2.61 0.04 0.00 0.66 0.00 0.00 46.19 43.89 2bw2 s LEU 9 CO 0.43 -0.58 1.33 -1.10 -1.89 0.00 0.00 176.35 174.53 2bw2 s GLN 10 N 2.49 3.30 -0.24 1.98 -0.21 -1.26 -0.75 119.66 124.97 2bw2 s GLN 10 Ca 0.19 -0.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.96 2bw2 s GLN 10 Cb -0.15 -4.50 -0.04 0.00 1.00 0.00 0.00 33.01 29.31 2bw2 s GLN 10 CO 0.15 -2.17 0.29 0.08 -2.12 0.00 0.00 175.29 171.52 2bw2 s VAL 11 N 5.53 5.26 -0.59 1.09 1.01 0.71 -4.61 120.40 128.80 2bw2 s VAL 11 Ca 0.38 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 2bw2 s VAL 11 Cb -0.06 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.83 2bw2 s VAL 11 CO 0.08 0.25 0.60 -1.00 0.00 0.00 0.00 175.10 175.03 2bw2 s HIS 12 N 1.52 3.23 -0.27 5.22 3.76 0.54 -0.37 115.29 128.92 2bw2 s HIS 12 Ca 0.13 -1.28 -0.10 0.00 -0.15 0.00 0.00 55.06 53.66 2bw2 s HIS 12 Cb -0.15 -3.87 -0.04 0.00 1.11 0.00 0.00 32.58 29.63 2bw2 s HIS 12 CO 0.08 -1.10 0.15 0.54 -0.85 0.00 0.00 174.74 173.55 2bw2 s VAL 13 N 1.77 4.93 -0.18 -0.90 0.11 0.12 -0.42 120.40 125.83 2bw2 s VAL 13 Ca 0.08 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 58.96 2bw2 s VAL 13 Cb -0.26 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2bw2 s VAL 13 CO 0.02 0.28 0.56 -1.58 -3.33 0.00 0.00 175.10 171.05 2bw2 s GLN 14 N 1.70 4.23 -0.31 1.54 0.74 0.46 -0.74 119.66 127.29 2bw2 s GLN 14 Ca 0.07 0.52 -0.06 0.00 0.05 0.00 0.00 55.36 55.93 2bw2 s GLN 14 Cb -0.16 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.43 2bw2 s GLN 14 CO 0.08 -0.13 0.07 -0.51 -0.55 0.00 0.00 175.29 174.26 2bw2 s LEU 15 N 1.55 3.99 0.11 3.68 1.43 0.41 -0.93 118.68 128.92 2bw2 s LEU 15 Ca 0.27 -0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2bw2 s LEU 15 Cb -0.16 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 2bw2 s LEU 15 CO 0.10 -0.25 0.39 -1.61 0.23 0.00 0.00 176.35 175.21 2bw2 s GLU 16 N 1.43 3.69 -0.32 1.70 2.02 0.15 -0.60 118.70 126.78 2bw2 s GLU 16 Ca 0.00 0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.07 2bw2 s GLU 16 Cb -0.18 -2.93 0.09 0.00 0.10 0.00 0.00 34.13 31.21 2bw2 s GLU 16 CO 0.02 0.52 0.01 0.15 0.02 0.00 0.00 175.26 175.98 2bw2 s LYS 17 N -2.25 1.63 -0.24 1.61 3.01 -0.04 -0.10 119.74 123.37 2bw2 s LYS 17 Ca 0.36 -1.68 -0.19 0.00 -1.01 0.00 0.00 55.97 53.45 2bw2 s LYS 17 Cb -0.13 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 33.62 2bw2 s LYS 17 CO 0.21 -0.84 0.57 0.08 0.51 0.00 0.00 175.35 175.87 2bw2 s VAL 18 N 1.00 5.04 0.67 3.17 1.01 -1.22 -1.90 120.40 128.18 2bw2 s VAL 18 Ca 0.05 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 2bw2 s VAL 18 Cb -0.19 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.40 2bw2 s VAL 18 CO -0.08 0.09 0.94 -0.31 0.00 0.00 0.00 175.10 175.74 2bw2 s TYR 19 N 2.16 2.19 0.14 5.22 1.51 -0.58 -2.85 117.35 125.14 2bw2 s TYR 19 Ca 0.24 -0.07 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 2bw2 s TYR 19 Cb -0.16 -2.99 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 2bw2 s TYR 19 CO 0.09 -1.43 1.68 -0.07 -1.11 0.00 0.00 175.55 174.71 2bw2 h LEU 20 N -0.39 0.59 -1.65 -1.29 3.38 -1.38 -3.05 115.31 111.53 2bw2 h LEU 20 Ca -0.40 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 2bw2 h LEU 20 Cb 1.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2bw2 h LEU 20 CO 0.47 0.61 -0.19 -2.24 0.09 0.00 0.00 178.44 177.18 2bw2 h ASP 21 N 0.54 0.00 0.00 -0.43 2.03 -1.95 -3.46 116.42 113.15 2bw2 h ASP 21 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2bw2 h ASP 21 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 2bw2 h ASP 21 CO -0.01 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.00 2bw2 n GLY 22 N -0.54 1.57 3.81 7.15 0.00 -1.15 -4.64 105.19 111.39 2bw2 n GLY 22 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2bw2 n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw2 s ASP 23 N -1.94 5.77 -0.10 1.61 2.15 -1.26 -4.31 116.67 118.58 2bw2 s ASP 23 Ca 0.00 1.75 -0.04 0.00 0.43 0.00 0.00 52.55 54.69 2bw2 s ASP 23 Cb 0.00 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 2bw2 s ASP 23 CO 0.00 -1.18 0.21 0.54 -0.17 0.00 0.00 175.17 174.58 2bw2 s VAL 24 N -2.60 -0.22 -0.05 1.11 0.11 -1.26 -1.53 120.40 115.96 2bw2 s VAL 24 Ca 0.62 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.66 2bw2 s VAL 24 Cb -0.15 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2bw2 s VAL 24 CO 0.41 0.10 0.82 -0.55 -3.33 0.00 0.00 175.10 172.55 2bw2 s SER 25 N 1.89 7.13 -0.26 3.54 0.15 -0.80 -4.85 113.70 120.50 2bw2 s SER 25 Ca -0.03 1.37 -0.09 0.00 0.70 0.00 0.00 55.95 57.91 2bw2 s SER 25 Cb -0.12 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2bw2 s SER 25 CO -0.07 -0.19 0.12 -0.63 1.20 0.00 0.00 173.24 173.66 2bw2 s ILE 26 N 0.98 4.69 0.07 6.45 -1.09 -1.26 -0.86 121.20 130.18 2bw2 s ILE 26 Ca 0.43 -0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.88 2bw2 s ILE 26 Cb -0.19 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 2bw2 s ILE 26 CO 0.22 0.31 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.41 2bw2 s GLU 27 N 1.65 2.14 -0.18 2.79 2.56 0.23 -4.98 118.70 122.93 2bw2 s GLU 27 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 54.06 2bw2 s GLU 27 Cb -0.15 -2.29 0.03 0.00 2.00 0.00 0.00 34.13 33.72 2bw2 s GLU 27 CO 0.06 0.53 -0.11 -1.01 -0.56 0.00 0.00 175.26 174.17 2bw2 s HIS 28 N -1.10 2.23 -0.00 5.30 3.76 -1.26 -0.44 115.29 123.78 2bw2 s HIS 28 Ca 0.19 -1.39 0.07 0.00 -0.15 0.00 0.00 55.06 53.78 2bw2 s HIS 28 Cb -0.11 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 2bw2 s HIS 28 CO 0.10 -0.70 -0.21 0.15 -0.85 0.00 0.00 174.74 173.23 2bw2 s LYS 29 N 1.46 1.67 -0.15 1.40 1.02 0.08 -5.01 119.74 120.21 2bw2 s LYS 29 Ca 0.01 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2bw2 s LYS 29 Cb -0.15 -1.65 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2bw2 s LYS 29 CO -0.09 0.45 -0.17 -3.38 -0.92 0.00 0.00 175.35 171.23 2bw2 s HIS 30 N -0.57 2.41 -0.01 3.18 -3.43 -1.26 0.15 115.29 115.77 2bw2 s HIS 30 Ca 0.08 -1.34 -0.03 0.00 -0.80 0.00 0.00 55.06 52.98 2bw2 s HIS 30 Cb -0.08 -1.71 -0.00 0.00 -1.43 0.00 0.00 32.58 29.36 2bw2 s HIS 30 CO -0.00 -0.68 0.05 -1.83 -2.00 0.00 0.00 174.74 170.28 2bw2 s GLU 31 N 1.27 0.23 -0.19 -0.38 -1.05 0.50 -4.94 118.70 114.13 2bw2 s GLU 31 Ca 0.02 -0.21 -0.16 0.00 -0.15 0.00 0.00 54.97 54.47 2bw2 s GLU 31 Cb -0.13 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 2bw2 s GLU 31 CO -0.09 -0.04 0.42 0.15 0.95 0.00 0.00 175.26 176.65 2bw2 s LYS 32 N -0.68 4.20 -0.04 -4.83 1.02 -1.24 -0.21 119.74 117.97 2bw2 s LYS 32 Ca -0.08 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.24 2bw2 s LYS 32 Cb -0.05 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2bw2 s LYS 32 CO 0.00 -0.01 -0.24 0.08 -0.92 0.00 0.00 175.35 174.26 2bw2 s VAL 33 N 1.21 2.22 -0.47 3.17 1.01 0.07 -4.81 120.40 122.80 2bw2 s VAL 33 Ca 0.21 -1.03 0.23 0.00 0.00 0.00 0.00 61.98 61.39 2bw2 s VAL 33 Cb -0.15 -1.80 0.30 0.00 0.00 0.00 0.00 36.38 34.73 2bw2 s VAL 33 CO 0.08 0.58 1.58 -0.26 0.00 0.00 0.00 175.10 177.07 2bw2 h PHE 34 N 5.76 0.00 -2.96 5.22 0.04 -1.92 0.67 116.94 123.75 2bw2 h PHE 34 Ca -0.38 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.20 2bw2 h PHE 34 Cb 1.15 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.00 2bw2 h PHE 34 CO 0.42 0.00 -0.48 0.45 -0.60 0.00 0.00 178.31 178.10 2bw2 s SER 35 N -5.87 -0.14 0.62 2.17 0.15 -1.26 -4.81 113.70 104.56 2bw2 s SER 35 Ca 0.07 0.56 0.37 0.00 0.70 0.00 0.00 55.95 57.65 2bw2 s SER 35 Cb 0.07 0.50 2.03 0.00 -1.71 0.00 0.00 66.02 66.90 2bw2 s SER 35 CO 0.67 -0.18 2.27 0.24 1.20 0.00 0.00 173.24 177.43 2bw2 h MET 36 N 7.44 0.00 -0.77 5.44 2.86 -1.97 -0.02 114.93 127.90 2bw2 h MET 36 Ca -0.35 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2bw2 h MET 36 Cb 1.15 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 2bw2 h MET 36 CO 0.32 0.02 0.51 0.22 1.06 0.00 0.00 176.91 179.03 2bw2 h ASP 37 N 0.00 0.79 -0.40 1.22 3.58 -1.98 0.24 116.42 119.86 2bw2 h ASP 37 Ca -0.00 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 2bw2 h ASP 37 Cb 0.09 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2bw2 h ASP 37 CO 0.00 0.53 -0.30 -0.78 -2.88 0.00 0.00 179.24 175.81 2bw2 h ASP 38 N 0.91 0.96 -0.24 2.28 3.58 -1.42 0.38 116.42 122.87 2bw2 h ASP 38 Ca 0.31 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2bw2 h ASP 38 Cb 0.11 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2bw2 h ASP 38 CO -0.10 1.20 0.12 0.15 -2.88 0.00 0.00 179.24 177.73 2bw2 h PHE 39 N 0.73 0.34 -0.61 0.28 3.57 -1.14 0.10 116.94 120.21 2bw2 h PHE 39 Ca 0.08 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2bw2 h PHE 39 Cb 0.89 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2bw2 h PHE 39 CO 0.06 0.32 0.19 -1.49 -2.23 0.00 0.00 178.31 175.17 2bw2 h TRP 40 N 0.26 0.95 -0.00 0.41 -0.00 -0.35 -1.17 115.95 116.06 2bw2 h TRP 40 Ca 0.08 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.89 58.77 2bw2 h TRP 40 Cb 0.10 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 2bw2 h TRP 40 CO -0.03 0.76 -0.61 0.00 -0.00 0.00 0.00 178.44 178.57 2bw2 h ALA 41 N 1.31 1.00 -0.24 1.49 0.00 -0.60 0.19 119.26 122.41 2bw2 h ALA 41 Ca 0.20 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 41 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bw2 h ALA 41 CO -0.01 0.76 -0.55 0.00 0.00 0.00 0.00 179.25 179.45 2bw2 h ALA 42 N 1.39 0.58 -0.21 0.00 0.00 0.05 -3.26 119.26 117.82 2bw2 h ALA 42 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 42 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bw2 h ALA 42 CO 0.08 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.67 2bw2 n TYR 43 N -3.98 0.72 -0.30 0.00 4.01 -0.52 -4.69 117.16 112.40 2bw2 n TYR 43 Ca -0.04 -0.88 0.20 0.00 -0.16 0.00 0.00 57.90 57.02 2bw2 n TYR 43 Cb 0.62 -0.26 0.47 0.00 -0.31 0.00 0.00 39.34 39.85 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bw2 h ALA 44 N 1.44 2.11 -0.37 -0.72 0.00 -0.66 -0.94 119.26 120.12 2bw2 h ALA 44 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2bw2 h ALA 44 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2bw2 h ALA 44 CO 0.17 -0.47 -0.30 0.78 0.00 0.00 0.00 179.25 179.43 2bw2 h GLY 45 N 0.48 0.87 -1.46 0.00 0.00 -1.86 -3.45 103.07 97.65 2bw2 h GLY 45 Ca 0.55 -0.80 -0.53 0.00 0.00 0.00 0.00 47.33 46.55 2bw2 h GLY 45 CO -0.27 0.73 0.29 -0.98 0.00 0.00 0.00 176.54 176.31 2bw2 s TRP 46 N -4.49 1.81 -0.26 5.60 0.52 -0.36 -4.98 118.94 116.78 2bw2 s TRP 46 Ca -0.10 1.71 -0.19 0.00 0.02 0.00 0.00 56.10 57.55 2bw2 s TRP 46 Cb 0.12 -3.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2bw2 s TRP 46 CO 0.85 -2.72 0.55 0.99 0.02 0.00 0.00 176.95 176.64 2bw2 s THR 47 N -2.40 5.04 -0.47 2.01 2.01 0.82 -4.87 115.64 117.77 2bw2 s THR 47 Ca 0.70 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 2bw2 s THR 47 Cb -0.25 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.40 2bw2 s THR 47 CO 0.53 0.05 1.42 -0.22 -0.69 0.00 0.00 174.62 175.72 2bw2 s LEU 48 N 2.38 3.52 -0.14 4.42 1.98 -1.26 -0.84 118.68 128.73 2bw2 s LEU 48 Ca 0.23 0.63 -0.16 0.00 -2.89 0.00 0.00 54.13 51.93 2bw2 s LEU 48 Cb -0.16 -3.36 -0.14 0.00 0.66 0.00 0.00 46.19 43.20 2bw2 s LEU 48 CO 0.09 -1.54 0.28 0.58 -1.89 0.00 0.00 176.35 173.87 2bw2 h VAL 49 N 6.45 0.82 -2.57 1.68 2.07 -1.24 -3.49 116.25 119.97 2bw2 h VAL 49 Ca -0.27 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 2bw2 h VAL 49 Cb 1.10 1.65 -0.17 0.00 -1.52 0.00 0.00 31.29 32.36 2bw2 h VAL 49 CO 1.12 0.28 0.10 -1.83 0.02 0.00 0.00 177.57 177.26 2bw2 s GLU 50 N -2.07 1.07 0.00 1.57 -1.05 -1.06 -5.03 118.70 112.13 2bw2 s GLU 50 Ca -0.15 -0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.54 2bw2 s GLU 50 Cb 0.01 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2bw2 s GLU 50 CO 0.40 -0.38 0.03 1.14 0.95 0.00 0.00 175.26 177.40 2bw2 s GLN 51 N -2.20 0.28 0.03 -4.83 -2.07 -1.26 -0.13 119.66 109.47 2bw2 s GLN 51 Ca -0.06 -0.36 -0.02 0.00 -1.82 0.00 0.00 55.36 53.09 2bw2 s GLN 51 Cb -0.01 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2bw2 s GLN 51 CO 0.01 -0.05 0.01 -1.59 -1.32 0.00 0.00 175.29 172.35 2bw2 s LYS 52 N -1.00 0.45 -0.54 9.60 -2.85 -0.04 -5.01 119.74 120.36 2bw2 s LYS 52 Ca -0.11 -0.76 -0.27 0.00 -1.00 0.00 0.00 55.97 53.83 2bw2 s LYS 52 Cb -0.07 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 2bw2 s LYS 52 CO -0.00 -0.09 1.87 0.21 0.10 0.00 0.00 175.35 177.44 2bw2 s LYS 53 N -2.25 2.77 0.00 1.78 2.47 -1.26 -1.39 119.74 121.86 2bw2 s LYS 53 Ca -0.08 0.84 0.00 0.00 -1.56 0.00 0.00 55.97 55.17 2bw2 s LYS 53 Cb -0.04 -4.35 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 2bw2 s LYS 53 CO -0.04 -2.55 0.00 0.41 0.16 0.00 0.00 175.35 173.33 2bw2 n GLY 54 N 5.64 1.12 2.78 5.54 0.00 -1.26 -5.07 105.19 113.94 2bw2 n GLY 54 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -0.66 0.01 -0.00 1.61 6.14 -0.49 -0.34 117.35 123.61 2bw2 s TYR 55 Ca 0.00 0.19 0.06 0.00 0.64 0.00 0.00 57.07 57.96 2bw2 s TYR 55 Cb 0.00 -0.24 -0.02 0.00 0.42 0.00 0.00 41.96 42.13 2bw2 s TYR 55 CO 0.00 -0.11 -0.20 0.08 0.64 0.00 0.00 175.55 175.96 2bw2 s VAL 56 N 1.17 1.59 -0.26 3.14 1.01 0.44 -0.86 120.40 126.64 2bw2 s VAL 56 Ca -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 2bw2 s VAL 56 Cb -0.13 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.96 2bw2 s VAL 56 CO -0.03 0.40 -0.06 -0.22 0.00 0.00 0.00 175.10 175.18 2bw2 s LEU 57 N -0.60 3.41 0.06 3.92 2.96 0.82 -0.40 118.68 128.84 2bw2 s LEU 57 Ca 0.08 -1.12 0.08 0.00 -0.22 0.00 0.00 54.13 52.95 2bw2 s LEU 57 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2bw2 s LEU 57 CO -0.00 -0.18 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.27 2bw2 s PHE 58 N 1.24 2.44 -0.02 5.38 0.08 -0.11 -0.65 117.98 126.35 2bw2 s PHE 58 Ca -0.04 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 56.74 2bw2 s PHE 58 Cb -0.18 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 2bw2 s PHE 58 CO -0.04 0.22 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.13 2bw2 s ARG 59 N -1.46 1.62 -0.28 0.44 1.70 -0.02 -0.67 118.95 120.27 2bw2 s ARG 59 Ca 0.14 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.75 2bw2 s ARG 59 Cb -0.10 -1.52 0.08 0.00 -0.57 0.00 0.00 34.95 32.84 2bw2 s ARG 59 CO 0.04 0.37 -0.01 0.21 -1.08 0.00 0.00 175.30 174.83 2bw2 s LYS 60 N -0.33 1.58 -0.21 3.89 2.47 0.86 -0.13 119.74 127.86 2bw2 s LYS 60 Ca 0.05 -1.36 -0.12 0.00 -1.56 0.00 0.00 55.97 52.97 2bw2 s LYS 60 Cb -0.08 -2.77 -0.05 0.00 -1.46 0.00 0.00 37.83 33.47 2bw2 s LYS 60 CO 0.00 -0.76 0.22 1.14 0.16 0.00 0.00 175.35 176.12 2bw2 s GLN 61 N 1.20 4.14 0.16 4.03 -2.07 -1.26 -3.38 119.66 122.48 2bw2 s GLN 61 Ca 0.01 -0.12 0.11 0.00 -1.82 0.00 0.00 55.36 53.55 2bw2 s GLN 61 Cb -0.19 -3.50 -0.04 0.00 -1.09 0.00 0.00 33.01 28.19 2bw2 s GLN 61 CO -0.09 0.11 -0.24 -1.64 -1.32 0.00 0.00 175.29 172.10 2bw2 s MET 62 N 0.91 1.51 -0.92 9.60 -1.94 -1.13 -4.91 119.30 122.42 2bw2 s MET 62 Ca 0.11 -1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 52.45 2bw2 s MET 62 Cb -0.13 -1.89 0.09 0.00 2.01 0.00 0.00 34.83 34.90 2bw2 s MET 62 CO 0.04 0.43 1.23 -0.51 -0.01 0.00 0.00 175.02 176.19 2bw2 s ASP 63 N -2.41 6.51 -0.05 3.03 1.01 -1.26 -4.34 116.67 119.16 2bw2 s ASP 63 Ca 0.18 -1.63 -0.30 0.00 0.71 0.00 0.00 52.55 51.51 2bw2 s ASP 63 Cb -0.09 -2.47 0.10 0.00 1.01 0.00 0.00 42.92 41.47 2bw2 s ASP 63 CO 0.09 -1.30 1.33 -0.62 0.21 0.00 0.00 175.17 174.87 2bw2 s ASP 64 N 4.11 -0.00 0.36 0.27 -1.08 -1.26 -5.04 116.67 114.03 2bw2 s ASP 64 Ca 0.36 -0.11 0.08 0.00 -0.52 0.00 0.00 52.55 52.36 2bw2 s ASP 64 Cb -0.05 0.08 -0.03 0.00 -1.46 0.00 0.00 42.92 41.47 2bw2 s ASP 64 CO -0.06 -0.17 0.29 0.27 0.52 0.00 0.00 175.17 176.02 2bw2 s ILE 65 N -2.03 3.21 0.60 4.11 -4.36 -1.26 -1.28 121.20 120.19 2bw2 s ILE 65 Ca 0.29 -1.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.12 2bw2 s ILE 65 Cb 0.00 -3.10 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 2bw2 s ILE 65 CO -0.02 -0.13 1.05 -0.94 0.24 0.00 0.00 174.94 175.14 2bw2 s SER 66 N -4.01 5.83 0.51 4.36 1.04 -1.26 -4.93 113.70 115.24 2bw2 s SER 66 Ca 0.42 1.74 0.20 0.00 0.48 0.00 0.00 55.95 58.79 2bw2 s SER 66 Cb -0.04 -2.52 1.31 0.00 0.10 0.00 0.00 66.02 64.86 2bw2 s SER 66 CO 0.26 -1.14 2.10 1.55 0.98 0.00 0.00 173.24 177.00 2bw2 h PRO 67 N 0.26 0.00 -0.14 4.02 0.13 -2.00 -1.73 132.00 132.54 2bw2 h PRO 67 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2bw2 h PRO 67 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bw2 h PRO 67 CO 0.58 0.08 -0.64 1.25 -0.23 0.00 0.00 178.00 179.04 2bw2 h LEU 68 N 0.00 0.59 -1.82 1.56 7.12 -1.99 -2.71 115.31 118.06 2bw2 h LEU 68 Ca -0.00 -0.35 0.03 0.00 0.13 0.00 0.00 57.88 57.70 2bw2 h LEU 68 Cb 0.16 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 2bw2 h LEU 68 CO 0.01 1.07 0.19 -1.28 -0.13 0.00 0.00 178.44 178.30 2bw2 h SER 69 N 0.37 0.21 1.39 1.25 0.87 -1.67 0.27 113.55 116.23 2bw2 h SER 69 Ca -0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2bw2 h SER 69 Cb 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2bw2 h SER 69 CO 0.12 0.14 0.00 0.11 -0.53 0.00 0.00 176.83 176.67 2bw2 h LYS 70 N 0.24 0.00 0.00 2.24 1.57 -1.37 0.12 116.57 119.38 2bw2 h LYS 70 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 2bw2 h LYS 70 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2bw2 h LYS 70 CO -0.02 0.00 -2.09 1.33 -0.57 0.00 0.00 179.45 178.10 2bw2 n VAL 71 N -2.82 0.60 0.00 0.50 0.24 0.06 -4.78 118.33 112.13 2bw2 n VAL 71 Ca 0.03 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2bw2 n VAL 71 Cb 0.39 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2bw2 n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2bw2 n ASN 72 N -2.49 0.00 -0.79 -1.34 5.15 0.73 -4.99 115.26 111.52 2bw2 n ASN 72 Ca -0.15 0.02 -0.10 0.00 -0.60 0.00 0.00 54.58 53.75 2bw2 n ASN 72 Cb 0.81 -0.10 -0.04 0.00 -0.53 0.00 0.00 39.78 39.92 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bw2 n GLY 73 N 2.31 0.96 3.54 8.20 0.00 0.41 -4.17 105.19 116.44 2bw2 n GLY 73 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2bw2 n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bw2 s TYR 74 N -2.38 3.18 -0.12 1.61 1.51 -1.21 -3.13 117.35 116.80 2bw2 s TYR 74 Ca 0.00 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2bw2 s TYR 74 Cb 0.00 -2.28 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2bw2 s TYR 74 CO 0.00 -0.19 -0.21 0.42 -1.11 0.00 0.00 175.55 174.46 2bw2 s ILE 75 N 1.51 2.27 0.19 2.71 1.01 -1.26 -2.95 121.20 124.67 2bw2 s ILE 75 Ca 0.06 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2bw2 s ILE 75 Cb -0.15 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2bw2 s ILE 75 CO 0.06 0.55 -0.07 -0.83 0.00 0.00 0.00 174.94 174.65 2bw2 s GLY 76 N 0.56 1.31 0.11 6.18 0.00 -0.87 -2.65 107.32 111.96 2bw2 s GLY 76 Ca -0.12 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.06 2bw2 s GLY 76 CO 0.04 -1.65 -0.22 -1.34 0.00 0.00 0.00 173.10 169.92 2bw2 s VAL 77 N -3.29 1.87 0.58 1.40 -7.23 -0.84 -1.90 120.40 110.99 2bw2 s VAL 77 Ca 0.22 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2bw2 s VAL 77 Cb 0.03 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.30 2bw2 s VAL 77 CO 0.05 -0.03 0.84 -0.44 -0.31 0.00 0.00 175.10 175.20 2bw2 s SER 78 N -2.00 5.29 0.55 4.85 0.01 -0.91 -4.75 113.70 116.75 2bw2 s SER 78 Ca 0.09 0.26 0.32 0.00 1.31 0.00 0.00 55.95 57.94 2bw2 s SER 78 Cb -0.10 -1.16 1.48 0.00 0.21 0.00 0.00 66.02 66.45 2bw2 s SER 78 CO 0.05 -1.18 1.86 0.44 0.41 0.00 0.00 173.24 174.82 2bw2 h ASP 79 N -0.08 0.00 -0.13 2.44 5.19 -2.00 0.41 116.42 122.26 2bw2 h ASP 79 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2bw2 h ASP 79 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2bw2 h ASP 79 CO 0.56 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.27 2bw2 n ASN 80 N -4.13 1.44 -0.17 6.45 3.02 -1.26 -4.83 115.26 115.78 2bw2 n ASN 80 Ca 0.18 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 2bw2 n ASN 80 Cb 0.99 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 2bw2 n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bw2 n GLY 81 N 1.10 0.99 3.68 7.41 0.00 0.14 -4.08 105.19 114.43 2bw2 n GLY 81 Ca 0.16 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2bw2 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw2 s VAL 82 N -2.34 4.77 -0.02 1.61 1.01 -1.04 -0.02 120.40 124.37 2bw2 s VAL 82 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2bw2 s VAL 82 Cb 0.00 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2bw2 s VAL 82 CO 0.00 -0.05 1.67 -0.38 0.00 0.00 0.00 175.10 176.35 2bw2 n ILE 83 N 4.79 1.73 -3.52 2.22 2.08 0.38 -2.14 119.36 124.91 2bw2 n ILE 83 Ca 0.09 -0.42 -0.38 0.00 0.56 0.00 0.00 62.75 62.60 2bw2 n ILE 83 Cb 0.48 -1.31 -0.06 0.00 -0.75 0.00 0.00 39.64 38.00 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2bw2 s SER 84 N 1.52 6.67 0.24 4.38 0.01 -0.80 -4.29 113.70 121.43 2bw2 s SER 84 Ca 0.03 0.79 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 2bw2 s SER 84 Cb 0.02 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.95 2bw2 s SER 84 CO 0.00 0.23 0.64 0.42 0.41 0.00 0.00 173.24 174.94 2bw2 s THR 85 N -0.47 4.78 0.10 1.44 -4.23 -1.26 -2.05 115.64 113.96 2bw2 s THR 85 Ca 0.22 0.81 0.07 0.00 -1.18 0.00 0.00 61.69 61.60 2bw2 s THR 85 Cb -0.15 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2bw2 s THR 85 CO 0.10 -0.01 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.63 2bw2 s PHE 86 N -1.77 1.53 -0.57 3.99 0.40 -1.15 -0.79 117.98 119.63 2bw2 s PHE 86 Ca 0.47 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.11 2bw2 s PHE 86 Cb -0.12 -0.83 0.05 0.00 0.51 0.00 0.00 43.02 42.62 2bw2 s PHE 86 CO 0.19 0.15 0.93 -3.38 0.70 0.00 0.00 175.22 173.81 2bw2 s HIS 87 N -1.39 2.79 0.00 0.36 -3.43 -1.26 -4.35 115.29 108.01 2bw2 s HIS 87 Ca 0.04 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 2bw2 s HIS 87 Cb -0.09 -4.08 0.00 0.00 -1.43 0.00 0.00 32.58 26.98 2bw2 s HIS 87 CO 0.03 -1.38 0.00 0.41 -2.00 0.00 0.00 174.74 171.80 2bw2 n GLY 88 N 5.16 -1.87 3.65 -1.38 0.00 -1.26 -4.78 105.19 104.71 2bw2 n GLY 88 Ca 0.00 -1.71 -0.51 0.00 0.00 0.00 0.00 46.02 43.80 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw2 n ARG 89 N 0.00 1.54 -2.01 1.61 5.12 -1.26 -4.83 116.66 116.82 2bw2 n ARG 89 Ca 0.00 0.56 -0.27 0.00 -1.93 0.00 0.00 57.85 56.21 2bw2 n ARG 89 Cb 0.00 -2.27 -0.05 0.00 -1.16 0.00 0.00 32.46 28.98 2bw2 n ARG 89 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2bw2 s PRO 90 N 1.87 2.50 0.23 5.56 0.04 -1.26 -4.55 135.00 139.38 2bw2 s PRO 90 Ca 0.88 -0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.79 2bw2 s PRO 90 Cb -0.88 -4.96 -0.03 0.00 0.04 0.00 0.00 34.50 28.67 2bw2 s PRO 90 CO 0.50 -3.37 0.19 -1.83 0.04 0.00 0.00 177.00 172.53 2bw2 s GLU 91 N 7.14 1.33 0.34 4.56 -1.05 -1.26 -4.95 118.70 124.81 2bw2 s GLU 91 Ca 0.71 -1.65 0.25 0.00 -0.15 0.00 0.00 54.97 54.14 2bw2 s GLU 91 Cb -0.08 0.30 1.18 0.00 -0.44 0.00 0.00 34.13 35.10 2bw2 s GLU 91 CO 0.03 -0.46 1.77 -1.00 0.95 0.00 0.00 175.26 176.54 2bw2 h PRO 92 N 2.50 0.00 -0.00 -4.83 0.13 -2.02 0.20 132.00 127.98 2bw2 h PRO 92 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2bw2 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bw2 h PRO 92 CO 0.49 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.21 2bw2 n ALA 93 N -1.83 2.66 -2.68 -0.56 0.00 -1.26 -4.73 120.51 112.11 2bw2 n ALA 93 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2bw2 n ALA 93 Cb 0.16 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 2bw2 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bw2 s SER 94 N -2.32 4.00 0.04 0.00 0.15 0.06 -5.12 113.70 110.51 2bw2 s SER 94 Ca 0.35 -1.50 0.02 0.00 0.70 0.00 0.00 55.95 55.52 2bw2 s SER 94 Cb 0.21 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 2bw2 s SER 94 CO 0.43 -0.63 -0.08 -1.83 1.20 0.00 0.00 173.24 172.33 2bw2 s GLU 95 N -3.79 0.54 -0.04 5.44 -1.05 -1.26 -4.73 118.70 113.82 2bw2 s GLU 95 Ca 0.22 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.96 2bw2 s GLU 95 Cb 0.06 -0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.41 2bw2 s GLU 95 CO 0.11 0.05 1.52 -2.14 0.95 0.00 0.00 175.26 175.75 2bw2 s PRO 96 N -1.67 4.22 0.29 -4.83 0.02 -1.26 -4.08 135.00 127.69 2bw2 s PRO 96 Ca -0.09 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.06 2bw2 s PRO 96 Cb -0.09 -3.78 0.45 0.00 0.02 0.00 0.00 34.50 31.09 2bw2 s PRO 96 CO 0.00 -0.73 1.70 0.82 -0.33 0.00 0.00 177.00 178.46 2bw2 h ILE 97 N 5.27 1.31 -2.50 2.83 2.04 -1.31 -3.46 117.51 121.70 2bw2 h ILE 97 Ca -0.37 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 63.96 2bw2 h ILE 97 Cb 1.17 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2bw2 h ILE 97 CO 0.94 0.46 0.21 0.00 0.00 0.00 0.00 178.15 179.76 2bw2 n GLN 98 N -4.02 0.62 -3.76 2.37 0.00 -1.26 -4.81 117.38 106.51 2bw2 n GLN 98 Ca -0.02 -1.24 -0.13 0.00 0.00 0.00 0.00 57.00 55.62 2bw2 n GLN 98 Cb 0.48 1.57 -0.13 0.00 0.00 0.00 0.00 30.24 32.17 2bw2 n GLN 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bw2 s SER 99 N -2.30 -0.24 0.00 2.61 0.15 -1.26 -4.23 113.70 108.44 2bw2 s SER 99 Ca 0.11 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2bw2 s SER 99 Cb -0.03 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2bw2 s SER 99 CO 0.06 -0.12 0.00 0.49 1.20 0.00 0.00 173.24 174.87 2bw2 n PHE 100 N 3.57 0.00 -3.97 3.44 3.72 -1.26 -5.02 117.46 117.94 2bw2 n PHE 100 Ca -0.19 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 2bw2 n PHE 100 Cb 0.56 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 2bw2 n PHE 100 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2bw2 n PHE 101 N -1.43 -0.87 -4.87 1.38 -1.74 -1.26 -4.99 117.46 103.68 2bw2 n PHE 101 Ca 0.00 -1.52 -0.25 0.00 -0.56 0.00 0.00 57.45 55.12 2bw2 n PHE 101 Cb 0.00 0.29 -0.15 0.00 1.52 0.00 0.00 39.48 41.13 2bw2 n PHE 101 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 2bw2 s GLN 102 N -2.59 1.51 0.16 3.97 0.74 -1.26 -0.47 119.66 121.71 2bw2 s GLN 102 Ca 0.20 -0.65 0.06 0.00 0.05 0.00 0.00 55.36 55.02 2bw2 s GLN 102 Cb -0.00 -1.44 -0.04 0.00 1.10 0.00 0.00 33.01 32.63 2bw2 s GLN 102 CO 0.14 0.38 -0.12 0.96 -0.55 0.00 0.00 175.29 176.10 2bw2 s ILE 103 N -0.38 1.34 -0.38 -2.34 -4.36 0.97 -2.74 121.20 113.31 2bw2 s ILE 103 Ca 0.06 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.15 2bw2 s ILE 103 Cb -0.07 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.83 2bw2 s ILE 103 CO -0.00 -0.64 1.01 -0.62 0.24 0.00 0.00 174.94 174.93 2bw2 s ASP 104 N -3.05 6.74 0.29 4.36 2.15 0.15 -3.13 116.67 124.17 2bw2 s ASP 104 Ca 0.16 0.68 0.03 0.00 0.43 0.00 0.00 52.55 53.85 2bw2 s ASP 104 Cb 0.00 -2.50 0.43 0.00 -0.30 0.00 0.00 42.92 40.55 2bw2 s ASP 104 CO 0.03 -0.95 1.74 -0.07 -0.17 0.00 0.00 175.17 175.75 2bw2 h LEU 105 N 10.32 0.49 -0.85 -1.34 3.38 -1.88 -1.30 115.31 124.13 2bw2 h LEU 105 Ca -0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2bw2 h LEU 105 Cb 1.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2bw2 h LEU 105 CO 1.03 0.71 0.00 1.05 0.09 0.00 0.00 178.44 181.32 2bw2 h GLU 106 N 0.44 0.00 0.00 1.13 4.11 -1.96 -1.78 114.58 116.53 2bw2 h GLU 106 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2bw2 h GLU 106 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2bw2 h GLU 106 CO 0.04 0.00 -0.58 0.07 0.07 0.00 0.00 179.01 178.61 2bw2 h ARG 107 N 0.00 0.00 -7.00 1.06 0.11 -1.62 -3.46 114.38 103.46 2bw2 h ARG 107 Ca 0.00 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.60 2bw2 h ARG 107 Cb 0.50 0.00 0.22 0.00 1.11 0.00 0.00 29.97 31.80 2bw2 h ARG 107 CO 0.00 0.00 -0.28 1.28 0.10 0.00 0.00 179.97 181.07 2bw2 n LEU 108 N -2.28 -0.16 0.00 0.08 4.32 -0.67 -5.00 117.00 113.29 2bw2 n LEU 108 Ca 0.03 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 2bw2 n LEU 108 Cb 0.46 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 2bw2 n LEU 108 CO 0.36 -3.03 0.19 -0.62 -1.22 0.00 0.00 177.39 173.08 2bw2 n GLU 109 N -3.56 0.00 0.00 3.23 1.02 -1.26 -5.04 120.64 115.02 2bw2 n GLU 109 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2bw2 n GLU 109 Cb 0.55 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bw2 n SER 110 N -0.47 0.00 0.20 1.62 7.64 -1.26 -4.99 113.62 116.35 2bw2 n SER 110 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2bw2 n SER 110 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 2bw2 n SER 110 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2bw2 h HIS 111 N 0.00 0.00 -0.21 1.43 2.07 -1.99 -3.20 115.15 113.25 2bw2 h HIS 111 Ca 0.00 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.58 2bw2 h HIS 111 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 2bw2 h HIS 111 CO 0.00 0.00 -0.33 0.52 -3.07 0.00 0.00 177.93 175.05 2bw2 h MET 112 N 0.00 -0.35 -0.04 5.12 2.07 -1.98 0.14 114.93 119.89 2bw2 h MET 112 Ca 0.00 0.02 -0.17 0.00 -2.07 0.00 0.00 59.70 57.48 2bw2 h MET 112 Cb 0.64 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 2bw2 h MET 112 CO 0.00 -0.23 -0.72 -0.56 1.07 0.00 0.00 176.91 176.47 2bw2 h GLN 113 N -0.36 0.24 -0.74 1.72 -0.00 -1.90 -2.23 115.11 111.84 2bw2 h GLN 113 Ca 0.12 -0.20 0.07 0.00 -0.00 0.00 0.00 58.65 58.63 2bw2 h GLN 113 Cb 0.55 0.04 -0.05 0.00 -0.00 0.00 0.00 27.48 28.03 2bw2 h GLN 113 CO -0.41 0.86 0.49 0.87 -0.00 0.00 0.00 178.83 180.63 2bw2 h LYS 114 N 0.16 0.74 -0.37 0.06 1.79 -1.54 0.45 116.57 117.86 2bw2 h LYS 114 Ca -0.02 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 2bw2 h LYS 114 Cb 1.28 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2bw2 h LYS 114 CO 0.11 0.49 -0.19 -0.91 -1.08 0.00 0.00 179.45 177.87 2bw2 h ASN 115 N 0.76 0.70 0.82 0.86 2.35 -0.15 -2.27 115.58 118.66 2bw2 h ASN 115 Ca 0.32 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2bw2 h ASN 115 Cb 0.28 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2bw2 h ASN 115 CO -0.11 0.89 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.18 2bw2 h LEU 116 N 0.62 0.00 -0.04 1.61 3.38 -0.76 0.13 115.31 120.25 2bw2 h LEU 116 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2bw2 h LEU 116 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2bw2 h LEU 116 CO 0.05 0.32 -0.02 -0.07 0.09 0.00 0.00 178.44 178.81 2bw2 h LEU 117 N 0.00 0.09 0.00 1.67 3.38 -0.39 -2.24 115.31 117.83 2bw2 h LEU 117 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2bw2 h LEU 117 Cb 0.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2bw2 h LEU 117 CO 0.04 0.48 -0.51 0.07 0.09 0.00 0.00 178.44 178.61 2bw2 h LYS 118 N -0.29 0.00 0.00 1.13 -0.00 -1.40 -3.42 116.57 112.59 2bw2 h LYS 118 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2bw2 h LYS 118 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 2bw2 h LYS 118 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.87 2bw2 n GLY 119 N 1.16 1.10 3.69 0.07 0.00 0.46 -4.20 105.19 107.48 2bw2 n GLY 119 Ca 0.02 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2bw2 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bw2 s ILE 120 N -0.18 2.65 -0.65 -0.61 -1.09 -1.09 -4.87 121.20 115.37 2bw2 s ILE 120 Ca 0.00 0.17 0.19 0.00 -2.23 0.00 0.00 60.65 58.78 2bw2 s ILE 120 Cb 0.00 -3.11 0.19 0.00 -1.58 0.00 0.00 42.46 37.96 2bw2 s ILE 120 CO 0.00 0.00 1.58 -0.81 -1.23 0.00 0.00 174.94 174.48 2bw2 n PRO 121 N 5.54 0.11 -3.63 2.79 -0.04 -1.26 -3.33 135.00 135.19 2bw2 n PRO 121 Ca 0.17 0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 63.98 2bw2 n PRO 121 Cb 0.39 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2bw2 s PHE 122 N -3.22 -0.14 0.21 0.54 5.36 -1.18 -4.78 117.98 114.77 2bw2 s PHE 122 Ca 0.04 0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 56.23 2bw2 s PHE 122 Cb 0.08 0.47 -0.02 0.00 -0.34 0.00 0.00 43.02 43.21 2bw2 s PHE 122 CO 0.31 -0.11 0.28 1.03 -1.46 0.00 0.00 175.22 175.26 2bw2 s ARG 123 N -0.73 1.32 0.22 10.12 1.81 -1.22 -4.87 118.95 125.59 2bw2 s ARG 123 Ca 0.06 -1.44 -0.00 0.00 -1.72 0.00 0.00 55.73 52.63 2bw2 s ARG 123 Cb -0.02 0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.79 2bw2 s ARG 123 CO -0.07 -0.49 0.12 0.99 -0.68 0.00 0.00 175.30 175.17 2bw2 s THR 124 N -4.08 0.21 0.16 0.02 2.01 -1.26 -4.74 115.64 107.96 2bw2 s THR 124 Ca 0.30 -2.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.15 2bw2 s THR 124 Cb 0.04 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2bw2 s THR 124 CO 0.09 -0.00 1.82 0.07 -0.69 0.00 0.00 174.62 175.91 2bw2 h LYS 125 N 2.53 0.56 0.00 4.92 2.10 -1.99 0.12 116.57 124.81 2bw2 h LYS 125 Ca -0.37 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 2bw2 h LYS 125 Cb 1.25 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2bw2 h LYS 125 CO 0.56 0.37 -0.07 0.00 -2.00 0.00 0.00 179.45 178.31 2bw2 h ALA 126 N 1.16 0.96 0.00 0.07 0.00 -1.99 -2.63 119.26 116.83 2bw2 h ALA 126 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2bw2 h ALA 126 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bw2 h ALA 126 CO -0.04 0.09 -0.68 0.93 0.00 0.00 0.00 179.25 179.54 2bw2 h GLU 127 N 0.00 0.00 0.11 0.00 5.08 -1.80 -1.66 114.58 116.31 2bw2 h GLU 127 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bw2 h GLU 127 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2bw2 h GLU 127 CO 0.01 0.26 -0.05 0.35 -1.00 0.00 0.00 179.01 178.58 2bw2 h PHE 128 N 0.00 -0.14 0.00 4.33 3.57 -0.43 -1.63 116.94 122.65 2bw2 h PHE 128 Ca -0.04 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2bw2 h PHE 128 Cb 1.28 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 2bw2 h PHE 128 CO 0.00 0.23 -0.07 1.05 -2.23 0.00 0.00 178.31 177.30 2bw2 h GLU 129 N -0.54 0.00 -0.32 1.11 4.11 -1.56 0.17 114.58 117.56 2bw2 h GLU 129 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2bw2 h GLU 129 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2bw2 h GLU 129 CO 0.02 0.07 -0.22 0.22 0.07 0.00 0.00 179.01 179.17 2bw2 h ASP 130 N 0.00 0.75 0.33 3.06 3.58 -1.12 0.17 116.42 123.20 2bw2 h ASP 130 Ca -0.00 -0.44 -0.26 0.00 0.42 0.00 0.00 57.03 56.76 2bw2 h ASP 130 Cb 0.52 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.37 2bw2 h ASP 130 CO 0.01 1.03 -1.08 1.62 -2.88 0.00 0.00 179.24 177.93 2bw2 h VAL 131 N 0.48 1.39 -0.38 2.25 3.04 -0.96 -3.21 116.25 118.85 2bw2 h VAL 131 Ca 0.06 -2.57 -0.09 0.00 -1.01 0.00 0.00 66.70 63.09 2bw2 h VAL 131 Cb 0.78 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.64 2bw2 h VAL 131 CO 0.06 0.77 -0.15 0.40 -1.01 0.00 0.00 177.57 177.64 2bw2 h ILE 132 N 0.22 1.26 0.00 3.17 5.03 -0.59 -0.62 117.51 125.97 2bw2 h ILE 132 Ca -0.12 -1.19 -0.04 0.00 -0.12 0.00 0.00 64.86 63.40 2bw2 h ILE 132 Cb 1.75 1.13 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 2bw2 h ILE 132 CO 0.19 0.40 -0.18 1.05 -0.68 0.00 0.00 178.15 178.93 2bw2 h GLU 133 N 0.62 0.00 0.12 2.37 4.11 -0.73 0.10 114.58 121.18 2bw2 h GLU 133 Ca 0.10 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.26 2bw2 h GLU 133 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2bw2 h GLU 133 CO 0.04 0.18 -1.22 1.25 0.07 0.00 0.00 179.01 179.33 2bw2 h HIS 134 N 0.00 0.52 -0.15 2.06 2.76 -1.35 -1.80 115.15 117.18 2bw2 h HIS 134 Ca -0.00 -0.37 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2bw2 h HIS 134 Cb 0.42 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2bw2 h HIS 134 CO 0.00 1.28 0.06 0.52 -1.30 0.00 0.00 177.93 178.49 2bw2 h MET 135 N 0.09 0.23 0.00 5.26 2.86 -0.05 -2.42 114.93 120.90 2bw2 h MET 135 Ca -0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bw2 h MET 135 Cb 1.94 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.57 2bw2 h MET 135 CO 0.20 0.31 0.00 1.57 1.06 0.00 0.00 176.91 180.05 2bw2 h LYS 136 N 0.09 0.00 0.00 1.72 2.10 -0.88 0.44 116.57 120.04 2bw2 h LYS 136 Ca 0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2bw2 h LYS 136 Cb 0.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2bw2 h LYS 136 CO -0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 179.45 177.34 2bw2 h THR 137 N 0.00 0.70 0.00 0.07 1.03 -0.80 -3.17 112.91 110.75 2bw2 h THR 137 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2bw2 h THR 137 Cb 0.48 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2bw2 h THR 137 CO 0.00 0.11 -0.56 -1.22 -0.01 0.00 0.00 175.52 173.83 2bw2 n TYR 138 N -3.86 0.55 -1.69 0.00 4.01 -0.47 -4.97 117.16 110.73 2bw2 n TYR 138 Ca -0.02 0.24 -0.15 0.00 -0.16 0.00 0.00 57.90 57.81 2bw2 n TYR 138 Cb 0.21 -0.61 -0.05 0.00 -0.31 0.00 0.00 39.34 38.57 2bw2 n TYR 138 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2bw2 n SER 139 N -4.23 -4.11 0.00 7.72 2.88 0.02 -4.96 113.62 110.94 2bw2 n SER 139 Ca -0.08 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2bw2 n SER 139 Cb 0.29 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.07 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42