#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 3.42 0.59 0.00 1.03 -1.26 -5.10 118.70 117.39 2bw2 s GLU 2 Ca 0.00 -0.10 0.09 0.00 0.03 0.00 0.00 54.97 54.99 2bw2 s GLU 2 Cb 0.00 -2.50 0.09 0.00 -0.80 0.00 0.00 34.13 30.93 2bw2 s GLU 2 CO 0.00 -0.11 0.82 0.14 -1.33 0.00 0.00 175.26 174.77 2bw2 s VAL 3 N -2.58 2.10 0.21 1.83 -7.23 -1.26 -4.93 120.40 108.55 2bw2 s VAL 3 Ca 0.45 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2bw2 s VAL 3 Cb -0.10 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 2bw2 s VAL 3 CO 0.41 0.00 1.08 -1.83 -0.31 0.00 0.00 175.10 174.45 2bw2 s GLU 4 N -4.71 4.63 0.53 4.82 1.03 -1.26 -4.79 118.70 118.95 2bw2 s GLU 4 Ca 0.62 1.72 0.07 0.00 0.03 0.00 0.00 54.97 57.42 2bw2 s GLU 4 Cb -0.05 -3.25 0.06 0.00 -0.80 0.00 0.00 34.13 30.08 2bw2 s GLU 4 CO 0.40 0.16 0.73 -1.01 -1.33 0.00 0.00 175.26 174.21 2bw2 s HIS 5 N -0.60 2.09 -0.13 4.83 3.76 -0.12 -4.97 115.29 120.15 2bw2 s HIS 5 Ca 0.47 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.73 2bw2 s HIS 5 Cb -0.30 -2.42 -0.15 0.00 1.11 0.00 0.00 32.58 30.82 2bw2 s HIS 5 CO 0.36 -0.92 0.45 1.88 -0.85 0.00 0.00 174.74 175.66 2bw2 h TYR 6 N 0.25 0.00 -3.61 1.40 -1.99 -1.96 -3.45 116.97 107.61 2bw2 h TYR 6 Ca -0.36 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 59.86 2bw2 h TYR 6 Cb 1.28 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.99 2bw2 h TYR 6 CO 0.34 0.60 0.04 -1.21 -0.00 0.00 0.00 178.16 177.93 2bw2 s GLU 7 N -1.96 3.99 1.02 4.88 0.41 -1.26 -4.98 118.70 120.81 2bw2 s GLU 7 Ca -0.12 0.60 -0.17 0.00 -0.41 0.00 0.00 54.97 54.87 2bw2 s GLU 7 Cb -0.02 -2.59 0.24 0.00 -1.78 0.00 0.00 34.13 29.98 2bw2 s GLU 7 CO 0.41 0.25 1.32 -0.35 -0.49 0.00 0.00 175.26 176.41 2bw2 n PRO 8 N -0.05 -1.52 -4.17 0.39 -0.04 -1.26 -4.79 135.00 123.55 2bw2 n PRO 8 Ca 0.01 -2.05 -0.30 0.00 -0.04 0.00 0.00 63.50 61.12 2bw2 n PRO 8 Cb 0.53 -1.42 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.00 1.80 -0.46 1.53 1.98 0.10 -4.82 118.68 118.82 2bw2 s LEU 9 Ca 0.76 -0.51 -0.29 0.00 -2.89 0.00 0.00 54.13 51.20 2bw2 s LEU 9 Cb -0.03 -1.23 0.02 0.00 0.66 0.00 0.00 46.19 45.61 2bw2 s LEU 9 CO 0.54 -0.02 1.29 -1.10 -1.89 0.00 0.00 176.35 175.16 2bw2 s GLN 10 N 1.30 3.62 -0.21 1.98 -0.21 -1.26 -0.54 119.66 124.35 2bw2 s GLN 10 Ca 0.02 0.72 -0.03 0.00 0.02 0.00 0.00 55.36 56.09 2bw2 s GLN 10 Cb -0.13 -3.98 -0.00 0.00 1.00 0.00 0.00 33.01 29.89 2bw2 s GLN 10 CO -0.09 -1.52 -0.08 0.08 -2.12 0.00 0.00 175.29 171.56 2bw2 s VAL 11 N 5.05 3.07 -0.61 1.09 1.01 0.83 -4.46 120.40 126.37 2bw2 s VAL 11 Ca 0.54 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2bw2 s VAL 11 Cb -0.10 -2.37 0.14 0.00 0.00 0.00 0.00 36.38 34.04 2bw2 s VAL 11 CO 0.32 0.46 0.62 -2.28 0.00 0.00 0.00 175.10 174.21 2bw2 s HIS 12 N 1.36 3.25 -0.01 5.22 2.46 0.65 -0.61 115.29 127.61 2bw2 s HIS 12 Ca 0.05 -1.30 -0.21 0.00 0.47 0.00 0.00 55.06 54.07 2bw2 s HIS 12 Cb -0.14 -3.88 -0.05 0.00 -0.13 0.00 0.00 32.58 28.37 2bw2 s HIS 12 CO -0.05 -1.11 0.61 0.08 -2.47 0.00 0.00 174.74 171.79 2bw2 s VAL 13 N 1.74 4.91 -0.33 0.89 1.01 0.99 -0.30 120.40 129.30 2bw2 s VAL 13 Ca 0.09 1.27 -0.14 0.00 0.00 0.00 0.00 61.98 63.20 2bw2 s VAL 13 Cb -0.25 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2bw2 s VAL 13 CO 0.02 0.41 0.29 -1.58 0.00 0.00 0.00 175.10 174.24 2bw2 s GLN 14 N -0.14 3.57 -0.34 2.72 0.74 0.17 -0.62 119.66 125.77 2bw2 s GLN 14 Ca 0.32 -0.50 -0.17 0.00 0.05 0.00 0.00 55.36 55.05 2bw2 s GLN 14 Cb -0.18 -3.79 -0.01 0.00 1.10 0.00 0.00 33.01 30.13 2bw2 s GLN 14 CO 0.17 -0.45 0.47 -0.51 -0.55 0.00 0.00 175.29 174.42 2bw2 s LEU 15 N 1.86 4.34 -0.15 3.68 1.02 0.51 -0.42 118.68 129.54 2bw2 s LEU 15 Ca 0.09 -0.04 -0.08 0.00 0.02 0.00 0.00 54.13 54.12 2bw2 s LEU 15 Cb -0.17 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2bw2 s LEU 15 CO 0.11 -0.42 0.13 -1.61 0.02 0.00 0.00 176.35 174.58 2bw2 s GLU 16 N 2.27 3.67 -0.37 1.70 2.02 0.34 -0.31 118.70 128.03 2bw2 s GLU 16 Ca 0.17 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.99 2bw2 s GLU 16 Cb -0.16 -3.24 0.10 0.00 0.10 0.00 0.00 34.13 30.93 2bw2 s GLU 16 CO 0.12 0.61 0.11 0.15 0.02 0.00 0.00 175.26 176.27 2bw2 s LYS 17 N -0.53 1.68 -0.29 1.61 3.01 -0.07 -0.20 119.74 124.94 2bw2 s LYS 17 Ca 0.12 -1.88 -0.22 0.00 -1.01 0.00 0.00 55.97 52.98 2bw2 s LYS 17 Cb -0.12 -3.35 -0.01 0.00 -1.01 0.00 0.00 37.83 33.35 2bw2 s LYS 17 CO 0.02 -0.99 0.72 0.08 0.51 0.00 0.00 175.35 175.69 2bw2 s VAL 18 N 0.96 4.87 0.41 3.17 1.01 -1.17 -1.95 120.40 127.70 2bw2 s VAL 18 Ca 0.10 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2bw2 s VAL 18 Cb -0.20 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2bw2 s VAL 18 CO -0.06 -0.16 0.56 -0.31 0.00 0.00 0.00 175.10 175.12 2bw2 s TYR 19 N 2.78 2.82 0.18 5.22 1.51 -1.05 -1.59 117.35 127.23 2bw2 s TYR 19 Ca 0.30 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.86 2bw2 s TYR 19 Cb -0.15 -2.35 0.09 0.00 -0.11 0.00 0.00 41.96 39.45 2bw2 s TYR 19 CO 0.11 -0.39 1.72 -0.07 -1.11 0.00 0.00 175.55 175.82 2bw2 h LEU 20 N 0.67 0.93 -0.72 -1.29 3.38 -0.58 -3.01 115.31 114.68 2bw2 h LEU 20 Ca -0.40 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.50 2bw2 h LEU 20 Cb 1.28 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2bw2 h LEU 20 CO 0.46 0.87 0.30 -0.78 0.09 0.00 0.00 178.44 179.38 2bw2 h ASP 21 N 0.93 0.30 0.00 -0.43 1.82 -1.68 -3.46 116.42 113.91 2bw2 h ASP 21 Ca 0.21 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2bw2 h ASP 21 Cb 0.26 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2bw2 h ASP 21 CO -0.01 0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 2bw2 n GLY 22 N -1.32 1.83 3.67 -0.78 0.00 -1.14 -4.55 105.19 102.91 2bw2 n GLY 22 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.46 6.53 -0.19 1.61 2.15 -1.26 -4.70 116.67 119.35 2bw2 s ASP 23 Ca 0.00 2.55 0.00 0.00 0.43 0.00 0.00 52.55 55.53 2bw2 s ASP 23 Cb 0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2bw2 s ASP 23 CO 0.00 -0.97 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.17 2bw2 s VAL 24 N 3.54 2.30 -0.13 1.11 1.01 -1.26 -2.54 120.40 124.43 2bw2 s VAL 24 Ca 0.80 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2bw2 s VAL 24 Cb -0.41 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2bw2 s VAL 24 CO 0.35 0.50 0.96 -0.55 0.00 0.00 0.00 175.10 176.36 2bw2 s SER 25 N 1.32 7.15 -0.25 3.32 0.15 -0.82 -4.81 113.70 119.76 2bw2 s SER 25 Ca 0.05 1.42 -0.08 0.00 0.70 0.00 0.00 55.95 58.04 2bw2 s SER 25 Cb -0.13 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2bw2 s SER 25 CO -0.11 -0.45 0.08 -0.63 1.20 0.00 0.00 173.24 173.33 2bw2 s ILE 26 N 2.14 4.40 0.08 6.45 -1.09 -1.26 -0.89 121.20 131.03 2bw2 s ILE 26 Ca 0.45 -0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 2bw2 s ILE 26 Cb -0.17 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2bw2 s ILE 26 CO 0.15 0.33 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.37 2bw2 s GLU 27 N 1.61 2.10 -0.32 2.79 2.56 0.57 -4.96 118.70 123.06 2bw2 s GLU 27 Ca 0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 54.97 54.02 2bw2 s GLU 27 Cb -0.15 -2.27 0.06 0.00 2.00 0.00 0.00 34.13 33.78 2bw2 s GLU 27 CO 0.04 0.52 0.03 -1.01 -0.56 0.00 0.00 175.26 174.28 2bw2 s HIS 28 N -1.11 3.35 -0.32 5.30 3.76 -1.26 -0.36 115.29 124.65 2bw2 s HIS 28 Ca 0.19 -2.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.04 2bw2 s HIS 28 Cb -0.11 -2.33 0.09 0.00 1.11 0.00 0.00 32.58 31.34 2bw2 s HIS 28 CO 0.10 -0.85 0.02 0.15 -0.85 0.00 0.00 174.74 173.31 2bw2 s LYS 29 N 1.20 1.83 -0.23 1.40 -0.14 0.21 -4.96 119.74 119.05 2bw2 s LYS 29 Ca -0.02 -1.67 -0.07 0.00 -1.36 0.00 0.00 55.97 52.84 2bw2 s LYS 29 Cb -0.20 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2bw2 s LYS 29 CO -0.02 -0.82 0.07 -3.38 -0.76 0.00 0.00 175.35 170.44 2bw2 s HIS 30 N 1.01 3.14 0.05 3.18 -3.43 -1.26 -0.01 115.29 117.97 2bw2 s HIS 30 Ca 0.04 -0.23 0.04 0.00 -0.80 0.00 0.00 55.06 54.10 2bw2 s HIS 30 Cb -0.20 -2.19 -0.02 0.00 -1.43 0.00 0.00 32.58 28.74 2bw2 s HIS 30 CO -0.06 -0.18 -0.11 -1.83 -2.00 0.00 0.00 174.74 170.56 2bw2 s GLU 31 N 1.21 0.69 -0.40 -0.38 -1.05 0.22 -4.93 118.70 114.06 2bw2 s GLU 31 Ca 0.05 -0.80 -0.14 0.00 -0.15 0.00 0.00 54.97 53.93 2bw2 s GLU 31 Cb -0.14 -0.59 0.02 0.00 -0.44 0.00 0.00 34.13 32.98 2bw2 s GLU 31 CO 0.03 0.13 0.28 0.15 0.95 0.00 0.00 175.26 176.80 2bw2 s LYS 32 N -1.50 2.93 -0.06 -4.83 1.02 -1.24 -0.12 119.74 115.95 2bw2 s LYS 32 Ca -0.05 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 54.94 2bw2 s LYS 32 Cb -0.09 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 2bw2 s LYS 32 CO 0.01 -0.74 -0.18 0.54 -0.92 0.00 0.00 175.35 174.06 2bw2 s VAL 33 N 1.65 2.73 0.18 3.17 0.11 0.30 -4.61 120.40 123.93 2bw2 s VAL 33 Ca 0.04 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2bw2 s VAL 33 Cb -0.19 -2.05 -0.11 0.00 -1.53 0.00 0.00 36.38 32.50 2bw2 s VAL 33 CO 0.09 0.58 1.44 -0.26 -3.33 0.00 0.00 175.10 173.62 2bw2 h PHE 34 N 5.65 0.48 -3.31 1.54 0.04 -1.87 0.29 116.94 119.76 2bw2 h PHE 34 Ca -0.41 -0.22 -0.59 0.00 2.80 0.00 0.00 57.97 59.55 2bw2 h PHE 34 Cb 1.16 -0.07 -0.37 0.00 2.20 0.00 0.00 35.95 38.87 2bw2 h PHE 34 CO 0.47 0.97 -0.81 0.45 -0.60 0.00 0.00 178.31 178.78 2bw2 s SER 35 N -6.96 3.01 0.47 2.17 0.15 -1.26 -0.95 113.70 110.33 2bw2 s SER 35 Ca -0.05 -0.70 0.15 0.00 0.70 0.00 0.00 55.95 56.05 2bw2 s SER 35 Cb 0.11 -1.13 1.11 0.00 -1.71 0.00 0.00 66.02 64.40 2bw2 s SER 35 CO 0.83 -0.13 2.04 0.24 1.20 0.00 0.00 173.24 177.43 2bw2 h MET 36 N 8.04 0.27 -0.38 5.44 2.86 -1.87 -0.85 114.93 128.44 2bw2 h MET 36 Ca -0.30 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.23 2bw2 h MET 36 Cb 1.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2bw2 h MET 36 CO 0.47 0.18 -0.14 0.22 1.06 0.00 0.00 176.91 178.70 2bw2 h ASP 37 N 0.28 0.69 0.14 1.22 3.58 -1.93 0.12 116.42 120.51 2bw2 h ASP 37 Ca 0.18 -0.21 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 2bw2 h ASP 37 Cb 0.35 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2bw2 h ASP 37 CO -0.04 0.85 -0.57 -0.78 -2.88 0.00 0.00 179.24 175.81 2bw2 h ASP 38 N 0.63 0.51 -0.47 2.28 3.58 -1.61 -1.83 116.42 119.50 2bw2 h ASP 38 Ca 0.10 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 2bw2 h ASP 38 Cb 0.60 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2bw2 h ASP 38 CO 0.04 0.97 0.19 0.15 -2.88 0.00 0.00 179.24 177.71 2bw2 h PHE 39 N 0.34 0.72 -0.50 0.28 3.57 -0.31 0.16 116.94 121.21 2bw2 h PHE 39 Ca 0.00 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 2bw2 h PHE 39 Cb 1.11 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2bw2 h PHE 39 CO 0.04 0.61 0.11 -1.49 -2.23 0.00 0.00 178.31 175.35 2bw2 h TRP 40 N 0.62 0.79 -0.07 0.41 -0.00 -0.80 0.06 115.95 116.96 2bw2 h TRP 40 Ca 0.16 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.89 58.84 2bw2 h TRP 40 Cb 0.19 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.11 2bw2 h TRP 40 CO 0.00 0.67 -0.55 0.00 -0.00 0.00 0.00 178.44 178.57 2bw2 h ALA 41 N 1.38 0.94 -0.31 1.49 0.00 -0.90 0.21 119.26 122.08 2bw2 h ALA 41 Ca 0.16 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 41 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bw2 h ALA 41 CO -0.00 0.69 -0.50 0.00 0.00 0.00 0.00 179.25 179.44 2bw2 h ALA 42 N 1.27 0.52 -0.45 0.00 0.00 0.23 -3.08 119.26 117.75 2bw2 h ALA 42 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 42 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bw2 h ALA 42 CO 0.08 0.68 0.02 0.66 0.00 0.00 0.00 179.25 180.69 2bw2 n TYR 43 N -4.02 1.62 -0.15 0.00 4.02 -0.08 -4.60 117.16 113.95 2bw2 n TYR 43 Ca -0.04 -0.85 0.28 0.00 -0.01 0.00 0.00 57.90 57.29 2bw2 n TYR 43 Cb 0.60 -0.44 0.72 0.00 -0.02 0.00 0.00 39.34 40.20 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 h ALA 44 N 2.92 2.75 0.00 -0.72 0.00 -0.48 -0.42 119.26 123.30 2bw2 h ALA 44 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bw2 h ALA 44 Cb 1.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2bw2 h ALA 44 CO 0.40 -1.14 -0.63 0.41 0.00 0.00 0.00 179.25 178.29 2bw2 n GLY 45 N -1.67 -1.41 3.85 0.00 0.00 -1.26 -4.84 105.19 99.86 2bw2 n GLY 45 Ca 0.18 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2bw2 n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bw2 s TRP 46 N -3.16 3.42 -0.29 1.61 0.52 -0.17 -4.92 118.94 115.95 2bw2 s TRP 46 Ca 0.06 1.30 -0.21 0.00 0.02 0.00 0.00 56.10 57.28 2bw2 s TRP 46 Cb 0.14 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.81 2bw2 s TRP 46 CO 0.72 -0.15 0.64 0.99 0.02 0.00 0.00 176.95 179.17 2bw2 s THR 47 N -2.35 4.94 -0.42 2.01 2.01 0.58 -4.85 115.64 117.56 2bw2 s THR 47 Ca 0.56 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 2bw2 s THR 47 Cb -0.10 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2bw2 s THR 47 CO 0.26 -0.09 1.34 -0.22 -0.69 0.00 0.00 174.62 175.22 2bw2 s LEU 48 N 2.60 3.63 -0.14 4.42 1.98 -1.26 -0.70 118.68 129.20 2bw2 s LEU 48 Ca 0.26 0.78 -0.20 0.00 -2.89 0.00 0.00 54.13 52.08 2bw2 s LEU 48 Cb -0.15 -3.54 -0.25 0.00 0.66 0.00 0.00 46.19 42.91 2bw2 s LEU 48 CO 0.11 -1.36 0.51 0.58 -1.89 0.00 0.00 176.35 174.30 2bw2 h VAL 49 N 6.36 1.17 -2.60 1.68 2.07 -1.27 -3.49 116.25 120.17 2bw2 h VAL 49 Ca -0.26 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 65.04 2bw2 h VAL 49 Cb 1.09 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 33.51 2bw2 h VAL 49 CO 1.09 0.57 0.38 -1.83 0.02 0.00 0.00 177.57 177.80 2bw2 s GLU 50 N -2.39 1.32 0.20 1.57 -1.05 -1.09 -5.03 118.70 112.23 2bw2 s GLU 50 Ca -0.22 -0.68 -0.16 0.00 -0.15 0.00 0.00 54.97 53.77 2bw2 s GLU 50 Cb 0.03 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.22 2bw2 s GLU 50 CO 0.70 -0.60 0.49 1.14 0.95 0.00 0.00 175.26 177.95 2bw2 s GLN 51 N -3.50 1.40 0.17 -4.83 -2.07 -1.26 -0.01 119.66 109.55 2bw2 s GLN 51 Ca 0.09 -0.98 -0.10 0.00 -1.82 0.00 0.00 55.36 52.55 2bw2 s GLN 51 Cb -0.03 0.50 -0.00 0.00 -1.09 0.00 0.00 33.01 32.39 2bw2 s GLN 51 CO 0.00 -0.59 0.32 -1.59 -1.32 0.00 0.00 175.29 172.12 2bw2 s LYS 52 N -3.91 1.18 -0.73 9.60 -2.85 0.47 -4.98 119.74 118.52 2bw2 s LYS 52 Ca 0.13 -1.10 -0.26 0.00 -1.00 0.00 0.00 55.97 53.73 2bw2 s LYS 52 Cb -0.01 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 2bw2 s LYS 52 CO 0.00 -0.44 1.56 0.21 0.10 0.00 0.00 175.35 176.78 2bw2 s LYS 53 N -3.94 2.96 0.00 1.78 2.47 -1.26 -2.26 119.74 119.49 2bw2 s LYS 53 Ca 0.15 0.01 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 2bw2 s LYS 53 Cb 0.03 -4.42 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 2bw2 s LYS 53 CO -0.01 -2.46 0.00 0.41 0.16 0.00 0.00 175.35 173.44 2bw2 n GLY 54 N 5.73 1.43 2.85 5.54 0.00 -1.26 -5.08 105.19 114.40 2bw2 n GLY 54 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.93 -0.03 0.25 1.61 6.14 -0.96 -0.26 117.35 123.17 2bw2 s TYR 55 Ca 0.00 0.19 0.09 0.00 0.64 0.00 0.00 57.07 57.99 2bw2 s TYR 55 Cb 0.00 -0.12 -0.05 0.00 0.42 0.00 0.00 41.96 42.21 2bw2 s TYR 55 CO 0.00 -0.08 -0.15 0.08 0.64 0.00 0.00 175.55 176.04 2bw2 s VAL 56 N 0.72 2.04 -0.22 3.14 1.01 0.59 -0.40 120.40 127.28 2bw2 s VAL 56 Ca -0.06 -2.27 -0.00 0.00 0.00 0.00 0.00 61.98 59.64 2bw2 s VAL 56 Cb -0.08 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2bw2 s VAL 56 CO -0.02 -0.45 -0.03 -0.22 0.00 0.00 0.00 175.10 174.38 2bw2 s LEU 57 N -3.43 2.08 -0.02 3.92 2.96 0.98 0.45 118.68 125.63 2bw2 s LEU 57 Ca 0.27 -1.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.22 2bw2 s LEU 57 Cb -0.01 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 2bw2 s LEU 57 CO 0.11 -0.25 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.27 2bw2 s PHE 58 N 1.55 2.31 -0.08 5.38 0.08 0.45 -0.68 117.98 126.98 2bw2 s PHE 58 Ca -0.04 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.62 2bw2 s PHE 58 Cb -0.18 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2bw2 s PHE 58 CO -0.07 -0.03 -0.24 -0.98 -0.10 0.00 0.00 175.22 173.81 2bw2 s ARG 59 N -0.65 2.81 -0.18 0.44 1.70 0.12 -0.50 118.95 122.69 2bw2 s ARG 59 Ca 0.10 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 2bw2 s ARG 59 Cb -0.10 -2.21 0.02 0.00 -0.57 0.00 0.00 34.95 32.10 2bw2 s ARG 59 CO -0.01 0.24 -0.18 0.21 -1.08 0.00 0.00 175.30 174.48 2bw2 s LYS 60 N 0.18 2.78 0.17 3.89 2.47 0.72 -0.31 119.74 129.64 2bw2 s LYS 60 Ca -0.13 -0.79 0.09 0.00 -1.56 0.00 0.00 55.97 53.57 2bw2 s LYS 60 Cb -0.16 -2.47 -0.04 0.00 -1.46 0.00 0.00 37.83 33.69 2bw2 s LYS 60 CO 0.07 -0.23 -0.08 1.14 0.16 0.00 0.00 175.35 176.40 2bw2 s GLN 61 N 1.33 2.12 -0.01 4.03 -2.07 -1.26 -3.03 119.66 120.76 2bw2 s GLN 61 Ca 0.04 -1.23 -0.03 0.00 -1.82 0.00 0.00 55.36 52.33 2bw2 s GLN 61 Cb -0.13 -2.20 -0.00 0.00 -1.09 0.00 0.00 33.01 29.59 2bw2 s GLN 61 CO -0.12 0.44 0.06 0.00 -1.32 0.00 0.00 175.29 174.35 2bw2 s MET 62 N -2.80 0.20 -0.10 9.60 0.23 -0.62 -4.91 119.30 120.90 2bw2 s MET 62 Ca 0.25 -0.14 -0.05 0.00 -1.03 0.00 0.00 55.69 54.72 2bw2 s MET 62 Cb -0.09 0.08 -0.16 0.00 -1.53 0.00 0.00 34.83 33.13 2bw2 s MET 62 CO 0.16 -0.04 3.23 -0.25 -2.03 0.00 0.00 175.02 176.09 2bw2 n ASP 63 N 2.46 5.53 -4.48 -1.18 8.00 -1.26 -4.07 116.55 121.54 2bw2 n ASP 63 Ca -0.17 -2.63 -0.25 0.00 0.71 0.00 0.00 54.79 52.46 2bw2 n ASP 63 Cb 0.58 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.24 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bw2 s ASP 64 N 1.62 3.70 0.09 -2.24 -1.08 -1.26 -4.92 116.67 112.58 2bw2 s ASP 64 Ca 0.57 -0.92 -0.17 0.00 -0.52 0.00 0.00 52.55 51.51 2bw2 s ASP 64 Cb 0.29 -0.37 -0.08 0.00 -1.46 0.00 0.00 42.92 41.30 2bw2 s ASP 64 CO -0.04 0.06 1.48 0.16 0.52 0.00 0.00 175.17 177.35 2bw2 h ILE 65 N 2.49 1.28 0.00 4.11 3.07 -1.92 0.23 117.51 126.78 2bw2 h ILE 65 Ca -0.42 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 64.87 2bw2 h ILE 65 Cb 1.24 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2bw2 h ILE 65 CO 0.57 0.35 0.00 -0.24 -1.05 0.00 0.00 178.15 177.78 2bw2 n SER 66 N -4.49 0.00 0.28 2.16 2.88 -1.26 -2.46 113.62 110.72 2bw2 n SER 66 Ca -0.03 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.69 2bw2 n SER 66 Cb 0.32 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.59 2bw2 n SER 66 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2bw2 h PRO 67 N 0.00 0.00 0.13 -1.46 0.13 -1.99 -1.92 132.00 126.90 2bw2 h PRO 67 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2bw2 h PRO 67 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2bw2 h PRO 67 CO 0.00 0.00 -1.45 1.25 -0.23 0.00 0.00 178.00 177.57 2bw2 h LEU 68 N 0.00 0.44 -2.08 1.56 7.12 -2.00 -3.26 115.31 117.09 2bw2 h LEU 68 Ca 0.00 -0.56 -0.01 0.00 0.13 0.00 0.00 57.88 57.44 2bw2 h LEU 68 Cb 0.35 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2bw2 h LEU 68 CO 0.00 1.45 -0.07 0.28 -0.13 0.00 0.00 178.44 179.97 2bw2 h SER 69 N 0.08 0.00 0.03 1.25 0.02 -1.65 0.17 113.55 113.45 2bw2 h SER 69 Ca -0.22 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2bw2 h SER 69 Cb 2.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.55 2bw2 h SER 69 CO 0.18 0.07 -0.11 0.11 -1.14 0.00 0.00 176.83 175.95 2bw2 h LYS 70 N 0.00 0.18 0.00 3.45 1.79 -1.51 0.65 116.57 121.13 2bw2 h LYS 70 Ca -0.00 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 2bw2 h LYS 70 Cb 0.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2bw2 h LYS 70 CO 0.01 0.29 -1.74 1.33 -1.08 0.00 0.00 179.45 178.26 2bw2 n VAL 71 N -4.32 0.76 0.00 0.50 0.24 0.34 -4.72 118.33 111.12 2bw2 n VAL 71 Ca -0.01 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2bw2 n VAL 71 Cb 0.23 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.62 0.00 -1.67 -1.34 5.15 0.19 -5.01 115.26 109.95 2bw2 n ASN 72 Ca -0.11 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.74 2bw2 n ASN 72 Cb 0.77 -0.02 0.01 0.00 -0.53 0.00 0.00 39.78 40.01 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 2.62 -0.11 3.21 8.20 0.00 0.20 -4.36 105.19 114.95 2bw2 n GLY 73 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.77 3.21 -0.15 1.61 1.51 -1.23 -2.74 117.35 116.80 2bw2 s TYR 74 Ca 0.08 -1.66 -0.12 0.00 -1.01 0.00 0.00 57.07 54.37 2bw2 s TYR 74 Cb -0.04 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 2bw2 s TYR 74 CO 0.10 -0.76 0.24 0.42 -1.11 0.00 0.00 175.55 174.45 2bw2 s ILE 75 N 1.31 5.33 -0.22 2.71 1.01 -1.26 -2.43 121.20 127.66 2bw2 s ILE 75 Ca -0.03 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2bw2 s ILE 75 Cb -0.19 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.77 2bw2 s ILE 75 CO -0.01 0.45 -0.09 -0.83 0.00 0.00 0.00 174.94 174.47 2bw2 s GLY 76 N 0.06 1.36 -0.20 6.18 0.00 0.99 -2.97 107.32 112.74 2bw2 s GLY 76 Ca 0.15 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 2bw2 s GLY 76 CO 0.03 0.75 0.04 0.14 0.00 0.00 0.00 173.10 174.06 2bw2 s VAL 77 N 1.33 4.39 0.49 1.40 1.01 -0.33 -2.18 120.40 126.50 2bw2 s VAL 77 Ca -0.04 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2bw2 s VAL 77 Cb -0.18 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.26 2bw2 s VAL 77 CO -0.07 0.43 0.65 -0.44 0.00 0.00 0.00 175.10 175.67 2bw2 s SER 78 N 0.77 5.37 0.41 3.32 0.01 -1.00 -3.75 113.70 118.83 2bw2 s SER 78 Ca 0.02 -0.64 0.24 0.00 1.31 0.00 0.00 55.95 56.88 2bw2 s SER 78 Cb -0.14 -0.22 1.28 0.00 0.21 0.00 0.00 66.02 67.16 2bw2 s SER 78 CO 0.02 -1.01 1.66 -2.24 0.41 0.00 0.00 173.24 172.08 2bw2 h ASP 79 N 0.46 0.34 -0.21 2.44 2.03 -1.98 0.68 116.42 120.19 2bw2 h ASP 79 Ca -0.36 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2bw2 h ASP 79 Cb 1.28 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 2bw2 h ASP 79 CO 0.44 -0.13 0.00 0.59 -1.03 0.00 0.00 179.24 179.11 2bw2 n ASN 80 N -4.78 1.34 -0.37 4.15 3.02 -1.26 -4.63 115.26 112.73 2bw2 n ASN 80 Ca 0.33 -2.04 -0.02 0.00 -0.03 0.00 0.00 54.58 52.82 2bw2 n ASN 80 Cb 1.21 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 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 0.76 0.36 3.68 7.41 0.00 0.23 -3.18 105.19 114.45 2bw2 n GLY 81 Ca 0.07 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2bw2 n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bw2 s VAL 82 N -2.28 4.36 -0.06 1.61 -7.23 -1.01 -0.59 120.40 115.21 2bw2 s VAL 82 Ca 0.01 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 2bw2 s VAL 82 Cb -0.01 -4.07 0.05 0.00 0.56 0.00 0.00 36.38 32.92 2bw2 s VAL 82 CO 0.01 -0.05 1.69 -0.38 -0.31 0.00 0.00 175.10 176.06 2bw2 n ILE 83 N 4.86 1.84 -2.59 -0.62 2.08 -0.01 -2.36 119.36 122.56 2bw2 n ILE 83 Ca 0.12 -0.56 -0.22 0.00 0.56 0.00 0.00 62.75 62.64 2bw2 n ILE 83 Cb 0.46 -1.29 0.04 0.00 -0.75 0.00 0.00 39.64 38.10 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2bw2 s SER 84 N 1.32 5.26 0.10 4.38 1.04 -0.93 -4.25 113.70 120.63 2bw2 s SER 84 Ca 0.06 0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.70 2bw2 s SER 84 Cb 0.05 -1.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 2bw2 s SER 84 CO 0.00 -1.18 -0.06 0.42 0.98 0.00 0.00 173.24 173.41 2bw2 s THR 85 N -2.84 3.64 0.08 2.02 -4.23 -1.26 -0.01 115.64 113.04 2bw2 s THR 85 Ca 0.57 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2bw2 s THR 85 Cb -0.10 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2bw2 s THR 85 CO 0.40 0.10 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.11 2bw2 s PHE 86 N -1.28 1.02 -0.48 3.99 0.40 -1.02 -0.77 117.98 119.85 2bw2 s PHE 86 Ca 0.23 -0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 2bw2 s PHE 86 Cb -0.11 -0.57 0.03 0.00 0.51 0.00 0.00 43.02 42.88 2bw2 s PHE 86 CO 0.16 -0.01 0.90 -3.38 0.70 0.00 0.00 175.22 173.59 2bw2 s HIS 87 N -2.09 2.91 0.00 0.36 -3.43 -1.26 -4.43 115.29 107.34 2bw2 s HIS 87 Ca 0.02 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 2bw2 s HIS 87 Cb -0.05 -3.93 0.00 0.00 -1.43 0.00 0.00 32.58 27.17 2bw2 s HIS 87 CO 0.00 -1.13 0.00 0.41 -2.00 0.00 0.00 174.74 172.03 2bw2 n GLY 88 N 4.98 -1.82 3.68 -1.38 0.00 -1.26 -4.81 105.19 104.58 2bw2 n GLY 88 Ca 0.05 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 2.72 -1.92 1.61 5.12 -1.26 -4.89 116.66 118.04 2bw2 n ARG 89 Ca 0.00 0.99 -0.37 0.00 -1.93 0.00 0.00 57.85 56.54 2bw2 n ARG 89 Cb 0.00 -2.89 -0.03 0.00 -1.16 0.00 0.00 32.46 28.38 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 3.13 2.48 0.25 5.56 0.04 -1.26 -4.58 135.00 140.62 2bw2 s PRO 90 Ca 0.84 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.63 2bw2 s PRO 90 Cb -0.50 -4.48 -0.03 0.00 0.04 0.00 0.00 34.50 29.52 2bw2 s PRO 90 CO 0.40 -2.94 0.21 -1.83 0.04 0.00 0.00 177.00 172.88 2bw2 s GLU 91 N 7.36 1.44 0.62 4.56 -1.05 -1.26 -4.79 118.70 125.59 2bw2 s GLU 91 Ca 0.75 -1.76 0.39 0.00 -0.15 0.00 0.00 54.97 54.20 2bw2 s GLU 91 Cb -0.13 0.30 2.06 0.00 -0.44 0.00 0.00 34.13 35.92 2bw2 s GLU 91 CO 0.20 -0.51 2.25 -1.00 0.95 0.00 0.00 175.26 177.16 2bw2 h PRO 92 N 2.41 0.00 -0.00 -4.83 0.13 -2.03 0.19 132.00 127.87 2bw2 h PRO 92 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2bw2 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bw2 h PRO 92 CO 0.46 0.01 -0.03 0.00 -0.23 0.00 0.00 178.00 178.21 2bw2 n ALA 93 N -2.13 2.67 -2.48 -0.56 0.00 -1.26 -4.76 120.51 111.98 2bw2 n ALA 93 Ca -0.02 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 2bw2 n ALA 93 Cb 0.14 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.17 4.32 0.02 0.00 0.15 0.65 -5.13 113.70 111.54 2bw2 s SER 94 Ca 0.39 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.97 2bw2 s SER 94 Cb 0.21 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 2bw2 s SER 94 CO 0.40 -0.45 -0.04 -1.83 1.20 0.00 0.00 173.24 172.51 2bw2 s GLU 95 N -3.84 0.35 0.09 5.44 -1.05 -1.26 -4.67 118.70 113.76 2bw2 s GLU 95 Ca 0.39 -0.59 -0.31 0.00 -0.15 0.00 0.00 54.97 54.31 2bw2 s GLU 95 Cb 0.03 -0.04 -0.07 0.00 -0.44 0.00 0.00 34.13 33.61 2bw2 s GLU 95 CO 0.21 -0.01 1.35 -2.14 0.95 0.00 0.00 175.26 175.62 2bw2 s PRO 96 N -1.33 4.34 0.27 -4.83 0.02 -1.26 -4.18 135.00 128.03 2bw2 s PRO 96 Ca -0.12 1.99 0.04 0.00 0.02 0.00 0.00 61.00 62.92 2bw2 s PRO 96 Cb -0.09 -3.31 0.36 0.00 0.02 0.00 0.00 34.50 31.47 2bw2 s PRO 96 CO -0.00 -0.41 1.66 0.82 -0.33 0.00 0.00 177.00 178.73 2bw2 h ILE 97 N 4.40 1.31 -1.63 2.83 2.04 -1.33 -3.47 117.51 121.66 2bw2 h ILE 97 Ca -0.41 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2bw2 h ILE 97 Cb 1.21 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2bw2 h ILE 97 CO 0.86 0.47 0.00 0.00 0.00 0.00 0.00 178.15 179.48 2bw2 n GLN 98 N -4.02 0.00 -3.70 2.37 0.00 -1.26 -4.86 117.38 105.91 2bw2 n GLN 98 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.86 2bw2 n GLN 98 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.61 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2bw2 s SER 99 N -0.44 -0.04 -0.01 2.61 1.04 -1.26 -4.40 113.70 111.19 2bw2 s SER 99 Ca 0.00 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 57.02 2bw2 s SER 99 Cb 0.00 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2bw2 s SER 99 CO 0.00 -0.20 -0.01 -0.26 0.98 0.00 0.00 173.24 173.75 2bw2 h PHE 100 N 7.65 0.00 -3.39 5.02 -1.00 -1.94 -3.49 116.94 119.79 2bw2 h PHE 100 Ca -0.29 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.38 2bw2 h PHE 100 Cb 1.14 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 2bw2 h PHE 100 CO 0.35 0.00 0.12 -0.59 -1.61 0.00 0.00 178.31 176.58 2bw2 s PHE 101 N -1.10 0.45 0.04 -0.55 -0.71 -1.26 -4.98 117.98 109.87 2bw2 s PHE 101 Ca -0.01 -0.98 0.07 0.00 -1.04 0.00 0.00 56.93 54.98 2bw2 s PHE 101 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 2bw2 s PHE 101 CO 0.01 -1.43 -0.18 -0.65 -1.34 0.00 0.00 175.22 171.62 2bw2 s GLN 102 N -2.53 2.06 0.11 1.99 -0.21 -1.25 -0.83 119.66 119.00 2bw2 s GLN 102 Ca 0.21 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.61 2bw2 s GLN 102 Cb -0.04 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2bw2 s GLN 102 CO 0.15 0.54 -0.04 0.96 -2.12 0.00 0.00 175.29 174.77 2bw2 s ILE 103 N -0.92 0.63 -0.49 1.08 -4.36 0.24 -3.21 121.20 114.17 2bw2 s ILE 103 Ca 0.14 -1.93 -0.27 0.00 -0.26 0.00 0.00 60.65 58.33 2bw2 s ILE 103 Cb -0.10 -1.78 0.03 0.00 1.25 0.00 0.00 42.46 41.86 2bw2 s ILE 103 CO 0.05 -0.78 1.05 -1.81 0.24 0.00 0.00 174.94 173.68 2bw2 s ASP 104 N -3.06 6.53 0.32 4.36 1.11 -1.26 -2.80 116.67 121.87 2bw2 s ASP 104 Ca 0.14 0.22 0.10 0.00 0.18 0.00 0.00 52.55 53.19 2bw2 s ASP 104 Cb 0.06 -2.50 0.54 0.00 1.07 0.00 0.00 42.92 42.08 2bw2 s ASP 104 CO -0.03 -1.20 1.73 -0.07 1.18 0.00 0.00 175.17 176.78 2bw2 h LEU 105 N 11.04 0.11 -2.28 1.23 3.38 -1.88 -0.50 115.31 126.40 2bw2 h LEU 105 Ca -0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2bw2 h LEU 105 Cb 1.07 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2bw2 h LEU 105 CO 1.09 0.53 -0.05 1.05 0.09 0.00 0.00 178.44 181.16 2bw2 h GLU 106 N 0.09 0.00 0.00 1.13 4.11 -1.92 -1.45 114.58 116.54 2bw2 h GLU 106 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2bw2 h GLU 106 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2bw2 h GLU 106 CO 0.06 0.05 -0.94 0.07 0.07 0.00 0.00 179.01 178.32 2bw2 h ARG 107 N 0.00 0.00 -6.88 1.06 0.11 -1.50 -3.45 114.38 103.72 2bw2 h ARG 107 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2bw2 h ARG 107 Cb 0.17 0.00 0.11 0.00 1.11 0.00 0.00 29.97 31.36 2bw2 h ARG 107 CO 0.01 0.36 0.65 1.28 0.10 0.00 0.00 179.97 182.37 2bw2 n LEU 108 N -3.03 4.42 -0.32 0.08 7.99 -0.55 -4.89 117.00 120.70 2bw2 n LEU 108 Ca -0.03 1.19 0.13 0.00 -0.01 0.00 0.00 56.01 57.28 2bw2 n LEU 108 Cb 0.77 -1.57 0.31 0.00 -0.11 0.00 0.00 43.42 42.82 2bw2 n LEU 108 CO 0.42 -0.17 1.10 1.05 -1.51 0.00 0.00 177.39 178.27 2bw2 h GLU 109 N 2.61 0.52 0.00 3.23 4.11 -1.87 -3.47 114.58 119.72 2bw2 h GLU 109 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2bw2 h GLU 109 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2bw2 h GLU 109 CO 0.62 0.35 0.00 0.43 0.07 0.00 0.00 179.01 180.48 2bw2 n SER 110 N -4.93 0.00 0.16 3.06 7.64 -1.26 -4.98 113.62 113.30 2bw2 n SER 110 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2bw2 n SER 110 Cb 0.61 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.01 -0.02 1.43 2.07 -1.99 -2.53 115.15 114.13 2bw2 h HIS 111 Ca 0.00 -0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 2bw2 h HIS 111 Cb 0.00 -0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 2bw2 h HIS 111 CO 0.00 0.50 -0.30 0.52 -3.07 0.00 0.00 177.93 175.58 2bw2 h MET 112 N 0.01 -0.42 -0.28 5.12 2.86 -1.94 0.71 114.93 121.00 2bw2 h MET 112 Ca -0.00 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 112 Cb 0.87 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2bw2 h MET 112 CO 0.06 -0.28 -0.26 -0.56 1.06 0.00 0.00 176.91 176.93 2bw2 h GLN 113 N -0.44 0.54 -0.12 1.72 3.07 -1.85 -2.69 115.11 115.36 2bw2 h GLN 113 Ca 0.07 -0.22 -0.10 0.00 0.09 0.00 0.00 58.65 58.49 2bw2 h GLN 113 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2bw2 h GLN 113 CO -0.26 0.76 -0.39 0.87 0.09 0.00 0.00 178.83 179.90 2bw2 h LYS 114 N 0.48 0.26 -0.33 0.06 1.57 -1.02 0.19 116.57 117.77 2bw2 h LYS 114 Ca 0.07 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2bw2 h LYS 114 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2bw2 h LYS 114 CO 0.05 0.61 -0.32 -0.97 -0.57 0.00 0.00 179.45 178.26 2bw2 h ASN 115 N 0.22 0.76 0.51 0.86 -1.24 -0.61 -2.42 115.58 113.67 2bw2 h ASN 115 Ca 0.02 -0.31 -0.14 0.00 0.71 0.00 0.00 56.30 56.58 2bw2 h ASN 115 Cb 0.79 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 2bw2 h ASN 115 CO 0.06 1.02 -0.62 -0.07 -1.29 0.00 0.00 177.43 176.53 2bw2 h LEU 116 N 0.62 0.12 -0.39 0.34 3.38 -1.09 -0.34 115.31 117.95 2bw2 h LEU 116 Ca 0.07 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bw2 h LEU 116 Cb 0.84 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2bw2 h LEU 116 CO 0.07 0.71 0.23 -0.07 0.09 0.00 0.00 178.44 179.47 2bw2 h LEU 117 N 0.07 0.38 -0.57 1.67 3.38 -0.16 -0.81 115.31 119.28 2bw2 h LEU 117 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bw2 h LEU 117 Cb 1.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2bw2 h LEU 117 CO 0.09 0.27 -0.42 2.29 0.09 0.00 0.00 178.44 180.76 2bw2 n LYS 118 N -4.86 0.80 0.00 1.13 -0.00 -1.01 -4.51 118.16 109.71 2bw2 n LYS 118 Ca 0.01 -0.57 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 2bw2 n LYS 118 Cb 0.06 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 2bw2 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 119 N 1.40 1.28 3.72 2.58 0.00 -0.14 -4.11 105.19 109.91 2bw2 n GLY 119 Ca 0.10 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.40 5.10 -0.36 -0.61 -1.09 -1.16 -4.72 121.20 115.97 2bw2 s ILE 120 Ca 0.00 1.25 0.22 0.00 -2.23 0.00 0.00 60.65 59.90 2bw2 s ILE 120 Cb 0.00 -3.95 0.23 0.00 -1.58 0.00 0.00 42.46 37.15 2bw2 s ILE 120 CO 0.00 0.28 1.68 -0.81 -1.23 0.00 0.00 174.94 174.85 2bw2 n PRO 121 N 3.77 0.17 -3.63 2.79 -0.04 -1.26 -3.54 135.00 133.24 2bw2 n PRO 121 Ca -0.03 0.53 -0.05 0.00 -0.04 0.00 0.00 63.50 63.90 2bw2 n PRO 121 Cb 0.51 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 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 -3.42 -0.20 -0.05 0.54 5.36 -1.11 -4.78 117.98 114.33 2bw2 s PHE 122 Ca 0.01 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.40 2bw2 s PHE 122 Cb 0.08 0.45 0.03 0.00 -0.34 0.00 0.00 43.02 43.24 2bw2 s PHE 122 CO 0.29 -0.13 0.11 1.03 -1.46 0.00 0.00 175.22 175.06 2bw2 s ARG 123 N -0.32 0.07 0.57 10.12 1.81 -1.13 -4.91 118.95 125.15 2bw2 s ARG 123 Ca 0.05 0.26 0.02 0.00 -1.72 0.00 0.00 55.73 54.34 2bw2 s ARG 123 Cb -0.03 -0.13 0.05 0.00 -0.45 0.00 0.00 34.95 34.39 2bw2 s ARG 123 CO -0.09 -0.12 0.80 0.99 -0.68 0.00 0.00 175.30 176.20 2bw2 s THR 124 N 0.83 2.57 0.28 0.02 2.01 -1.26 -4.73 115.64 115.36 2bw2 s THR 124 Ca -0.06 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 2bw2 s THR 124 Cb -0.09 -2.87 0.16 0.00 0.01 0.00 0.00 72.50 69.71 2bw2 s THR 124 CO -0.04 0.00 1.83 0.07 -0.69 0.00 0.00 174.62 175.80 2bw2 h LYS 125 N 0.01 0.85 0.00 4.92 5.09 -1.99 0.36 116.57 125.81 2bw2 h LYS 125 Ca -0.40 -0.16 -0.05 0.00 0.09 0.00 0.00 60.65 60.12 2bw2 h LYS 125 Cb 1.29 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.48 2bw2 h LYS 125 CO 0.49 0.74 -0.30 0.00 -2.09 0.00 0.00 179.45 178.29 2bw2 h ALA 126 N 1.35 0.82 0.01 0.07 0.00 -1.97 -2.58 119.26 116.96 2bw2 h ALA 126 Ca 0.18 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2bw2 h ALA 126 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2bw2 h ALA 126 CO -0.01 0.31 -0.94 0.93 0.00 0.00 0.00 179.25 179.54 2bw2 h GLU 127 N 0.00 0.03 0.33 0.00 5.08 -1.70 -1.15 114.58 117.17 2bw2 h GLU 127 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2bw2 h GLU 127 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2bw2 h GLU 127 CO 0.03 0.95 -0.16 0.35 -1.00 0.00 0.00 179.01 179.18 2bw2 h PHE 128 N 0.01 -0.41 0.00 4.33 3.04 -0.77 0.34 116.94 123.48 2bw2 h PHE 128 Ca -0.02 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 2bw2 h PHE 128 Cb 1.66 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 40.30 2bw2 h PHE 128 CO 0.01 -0.12 -0.09 1.05 -2.02 0.00 0.00 178.31 177.14 2bw2 h GLU 129 N -0.68 0.00 -0.08 1.11 4.11 -1.49 0.23 114.58 117.77 2bw2 h GLU 129 Ca -0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 2bw2 h GLU 129 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 129 CO 0.07 0.09 -0.16 0.22 0.07 0.00 0.00 179.01 179.30 2bw2 h ASP 130 N 0.00 0.28 0.04 3.06 3.58 -0.93 0.16 116.42 122.60 2bw2 h ASP 130 Ca -0.00 -0.56 -0.19 0.00 0.42 0.00 0.00 57.03 56.70 2bw2 h ASP 130 Cb 0.39 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2bw2 h ASP 130 CO 0.01 0.79 -0.67 1.62 -2.88 0.00 0.00 179.24 178.11 2bw2 h VAL 131 N -0.22 1.33 -0.65 2.25 3.04 -0.60 -2.87 116.25 118.53 2bw2 h VAL 131 Ca 0.00 -1.95 -0.08 0.00 -1.01 0.00 0.00 66.70 63.66 2bw2 h VAL 131 Cb 0.74 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 2bw2 h VAL 131 CO 0.04 0.60 0.08 0.40 -1.01 0.00 0.00 177.57 177.68 2bw2 h ILE 132 N 0.43 1.26 0.00 3.17 5.03 -0.53 0.15 117.51 127.02 2bw2 h ILE 132 Ca -0.02 -1.06 -0.05 0.00 -0.12 0.00 0.00 64.86 63.61 2bw2 h ILE 132 Cb 1.25 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 35.71 2bw2 h ILE 132 CO 0.13 0.39 -0.23 1.05 -0.68 0.00 0.00 178.15 178.81 2bw2 h GLU 133 N 1.01 0.00 0.12 2.37 4.11 -0.68 0.46 114.58 121.95 2bw2 h GLU 133 Ca 0.19 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.35 2bw2 h GLU 133 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 133 CO 0.02 0.23 -1.21 1.25 0.07 0.00 0.00 179.01 179.37 2bw2 h HIS 134 N 0.00 0.73 -0.31 2.06 2.76 -1.13 -2.39 115.15 116.87 2bw2 h HIS 134 Ca -0.00 -0.48 -0.03 0.00 -2.20 0.00 0.00 60.37 57.66 2bw2 h HIS 134 Cb 0.56 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2bw2 h HIS 134 CO 0.00 1.34 0.09 0.52 -1.30 0.00 0.00 177.93 178.59 2bw2 h MET 135 N 0.18 0.49 0.00 5.26 2.86 0.02 -2.73 114.93 121.00 2bw2 h MET 135 Ca -0.15 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2bw2 h MET 135 Cb 1.89 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.49 2bw2 h MET 135 CO 0.21 0.54 0.00 1.57 1.06 0.00 0.00 176.91 180.29 2bw2 h LYS 136 N 0.35 0.00 0.00 1.72 2.10 -0.98 0.49 116.57 120.24 2bw2 h LYS 136 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2bw2 h LYS 136 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2bw2 h LYS 136 CO -0.00 0.00 -0.04 1.15 -2.00 0.00 0.00 179.45 178.55 2bw2 h THR 137 N 0.00 0.15 0.00 0.07 2.02 -1.10 -3.17 112.91 110.88 2bw2 h THR 137 Ca 0.00 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2bw2 h THR 137 Cb 0.54 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2bw2 h THR 137 CO 0.00 0.04 -0.77 -1.22 0.37 0.00 0.00 175.52 173.95 2bw2 n TYR 138 N -3.20 0.52 -1.29 3.16 4.01 0.01 -4.96 117.16 115.41 2bw2 n TYR 138 Ca -0.00 0.23 -0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2bw2 n TYR 138 Cb 0.27 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 38.58 2bw2 n TYR 138 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2bw2 n SER 139 N -4.54 -2.93 0.00 7.72 3.41 -0.31 -4.93 113.62 112.04 2bw2 n SER 139 Ca -0.11 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2bw2 n SER 139 Cb 0.39 -2.78 0.00 0.00 -0.26 0.00 0.00 64.21 61.56 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49