#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 0.41 0.79 0.00 -1.05 -1.26 -5.16 118.70 112.44 2bw2 s GLU 2 Ca 0.00 -0.51 -0.05 0.00 -0.15 0.00 0.00 54.97 54.26 2bw2 s GLU 2 Cb 0.00 0.16 0.15 0.00 -0.44 0.00 0.00 34.13 34.00 2bw2 s GLU 2 CO 0.00 -0.09 1.09 0.08 0.95 0.00 0.00 175.26 177.29 2bw2 s VAL 3 N -1.49 2.08 0.46 1.83 1.01 -1.26 -4.85 120.40 118.18 2bw2 s VAL 3 Ca -0.15 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2bw2 s VAL 3 Cb -0.08 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2bw2 s VAL 3 CO 0.00 0.00 1.15 -1.83 0.00 0.00 0.00 175.10 174.42 2bw2 s GLU 4 N -5.35 3.75 0.39 2.72 -1.05 -1.26 -4.72 118.70 113.18 2bw2 s GLU 4 Ca 0.69 1.74 0.03 0.00 -0.15 0.00 0.00 54.97 57.28 2bw2 s GLU 4 Cb -0.05 -2.38 0.03 0.00 -0.44 0.00 0.00 34.13 31.29 2bw2 s GLU 4 CO 0.47 -0.55 0.25 0.72 0.95 0.00 0.00 175.26 177.10 2bw2 n HIS 5 N -0.53 -0.59 -0.03 4.83 8.25 -1.04 -4.98 115.22 121.13 2bw2 n HIS 5 Ca 0.07 -1.70 -0.16 0.00 -0.26 0.00 0.00 57.72 55.67 2bw2 n HIS 5 Cb 0.48 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.20 2bw2 n HIS 5 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2bw2 h TYR 6 N 0.70 0.79 -2.92 4.41 -1.99 -1.96 -3.43 116.97 112.57 2bw2 h TYR 6 Ca -0.26 -0.34 -0.63 0.00 2.00 0.00 0.00 58.73 59.50 2bw2 h TYR 6 Cb 0.92 -0.12 -0.07 0.00 2.00 0.00 0.00 36.73 39.45 2bw2 h TYR 6 CO 0.00 1.13 -0.36 -1.21 -0.00 0.00 0.00 178.16 177.72 2bw2 s GLU 7 N -3.72 3.79 0.00 4.88 2.02 -1.26 -5.08 118.70 119.33 2bw2 s GLU 7 Ca -0.12 0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2bw2 s GLU 7 Cb 0.06 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2bw2 s GLU 7 CO 0.84 0.62 0.00 -0.35 0.02 0.00 0.00 175.26 176.40 2bw2 n PRO 8 N 2.30 0.34 -3.81 0.39 -0.04 -1.26 -4.75 135.00 128.17 2bw2 n PRO 8 Ca -0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 2bw2 n PRO 8 Cb 0.53 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.96 -0.59 1.53 1.98 0.12 -4.85 118.68 117.83 2bw2 s LEU 9 Ca 0.00 -0.34 -0.28 0.00 -2.89 0.00 0.00 54.13 50.62 2bw2 s LEU 9 Cb 0.00 -0.62 0.03 0.00 0.66 0.00 0.00 46.19 46.26 2bw2 s LEU 9 CO 0.00 -0.20 1.25 -1.10 -1.89 0.00 0.00 176.35 174.41 2bw2 s GLN 10 N 1.85 3.44 -0.17 1.98 -0.21 -1.26 -0.77 119.66 124.52 2bw2 s GLN 10 Ca 0.03 0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.63 2bw2 s GLN 10 Cb -0.14 -4.05 -0.03 0.00 1.00 0.00 0.00 33.01 29.79 2bw2 s GLN 10 CO -0.07 -1.78 -0.03 0.08 -2.12 0.00 0.00 175.29 171.37 2bw2 s VAL 11 N 5.27 3.89 -0.52 1.09 1.01 0.68 -4.65 120.40 127.18 2bw2 s VAL 11 Ca 0.44 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2bw2 s VAL 11 Cb -0.08 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.68 2bw2 s VAL 11 CO 0.24 0.47 0.50 -1.00 0.00 0.00 0.00 175.10 175.31 2bw2 s HIS 12 N 0.58 3.20 -0.33 5.22 3.76 0.89 -0.22 115.29 128.40 2bw2 s HIS 12 Ca -0.02 -1.06 -0.13 0.00 -0.15 0.00 0.00 55.06 53.69 2bw2 s HIS 12 Cb -0.14 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 29.95 2bw2 s HIS 12 CO 0.02 -0.97 0.28 0.54 -0.85 0.00 0.00 174.74 173.76 2bw2 s VAL 13 N 1.82 5.24 -0.27 -0.90 0.11 0.56 -0.44 120.40 126.53 2bw2 s VAL 13 Ca 0.05 -0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.91 2bw2 s VAL 13 Cb -0.26 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 2bw2 s VAL 13 CO 0.05 0.02 0.58 -1.58 -3.33 0.00 0.00 175.10 170.85 2bw2 s GLN 14 N 1.86 4.04 -0.18 1.54 0.74 0.59 -1.24 119.66 127.02 2bw2 s GLN 14 Ca 0.09 0.40 -0.12 0.00 0.05 0.00 0.00 55.36 55.78 2bw2 s GLN 14 Cb -0.17 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.23 2bw2 s GLN 14 CO 0.11 -0.43 0.21 -0.51 -0.55 0.00 0.00 175.29 174.12 2bw2 s LEU 15 N 2.45 4.24 -0.09 3.68 2.01 0.78 -0.88 118.68 130.87 2bw2 s LEU 15 Ca 0.24 0.38 -0.00 0.00 0.01 0.00 0.00 54.13 54.75 2bw2 s LEU 15 Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 46.19 43.80 2bw2 s LEU 15 CO 0.09 0.16 -0.08 -1.61 1.01 0.00 0.00 176.35 175.93 2bw2 s GLU 16 N 0.32 3.02 -0.22 1.70 2.02 0.53 -0.18 118.70 125.89 2bw2 s GLU 16 Ca 0.12 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.56 2bw2 s GLU 16 Cb -0.12 -2.65 0.05 0.00 0.10 0.00 0.00 34.13 31.50 2bw2 s GLU 16 CO 0.01 0.51 -0.13 0.15 0.02 0.00 0.00 175.26 175.82 2bw2 s LYS 17 N -0.39 2.33 -0.44 1.61 1.02 -0.83 -0.19 119.74 122.85 2bw2 s LYS 17 Ca 0.05 -1.06 -0.23 0.00 0.02 0.00 0.00 55.97 54.76 2bw2 s LYS 17 Cb -0.12 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2bw2 s LYS 17 CO 0.02 -0.44 0.77 0.08 -0.92 0.00 0.00 175.35 174.86 2bw2 s VAL 18 N 1.25 4.67 0.59 3.17 1.01 -1.22 -2.35 120.40 127.52 2bw2 s VAL 18 Ca -0.03 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2bw2 s VAL 18 Cb -0.17 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.00 2bw2 s VAL 18 CO -0.08 -0.69 0.81 -0.31 0.00 0.00 0.00 175.10 174.84 2bw2 s TYR 19 N 3.23 1.53 -0.51 5.22 2.02 -1.07 -3.48 117.35 124.29 2bw2 s TYR 19 Ca 0.29 -0.62 0.23 0.00 -0.37 0.00 0.00 57.07 56.60 2bw2 s TYR 19 Cb -0.12 -2.36 0.10 0.00 -0.40 0.00 0.00 41.96 39.17 2bw2 s TYR 19 CO 0.22 -1.21 1.08 1.47 -1.57 0.00 0.00 175.55 175.54 2bw2 n LEU 20 N -2.33 0.65 -0.29 -1.29 -0.00 -0.18 -4.06 117.00 109.50 2bw2 n LEU 20 Ca 0.15 0.12 -0.03 0.00 -0.00 0.00 0.00 56.01 56.25 2bw2 n LEU 20 Cb 0.61 -0.11 0.12 0.00 -0.00 0.00 0.00 43.42 44.05 2bw2 n LEU 20 CO 0.40 -0.03 1.14 -0.78 -0.00 0.00 0.00 177.39 178.12 2bw2 h ASP 21 N 0.00 1.04 0.00 1.45 1.82 -1.96 -3.46 116.42 115.31 2bw2 h ASP 21 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2bw2 h ASP 21 Cb 0.80 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2bw2 h ASP 21 CO 0.00 0.85 0.00 0.61 -1.61 0.00 0.00 179.24 179.09 2bw2 n GLY 22 N -1.11 1.56 3.94 -0.78 0.00 -1.26 -4.78 105.19 102.76 2bw2 n GLY 22 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2bw2 n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2bw2 s ASP 23 N -1.27 4.49 -0.24 1.61 -4.77 -1.26 -4.54 116.67 110.68 2bw2 s ASP 23 Ca 0.00 0.29 -0.05 0.00 -3.30 0.00 0.00 52.55 49.49 2bw2 s ASP 23 Cb 0.00 -0.81 0.13 0.00 -1.09 0.00 0.00 42.92 41.15 2bw2 s ASP 23 CO 0.00 -1.80 0.48 0.54 0.70 0.00 0.00 175.17 175.08 2bw2 s VAL 24 N -3.32 -0.75 -0.41 2.11 0.11 -1.26 -2.60 120.40 114.28 2bw2 s VAL 24 Ca 0.63 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2bw2 s VAL 24 Cb -0.09 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2bw2 s VAL 24 CO 0.46 -0.01 1.26 -0.55 -3.33 0.00 0.00 175.10 172.93 2bw2 s SER 25 N 2.68 6.55 -0.27 3.54 0.15 -0.99 -4.77 113.70 120.59 2bw2 s SER 25 Ca 0.05 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.28 2bw2 s SER 25 Cb -0.13 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2bw2 s SER 25 CO -0.16 -1.27 0.55 -0.63 1.20 0.00 0.00 173.24 172.93 2bw2 s ILE 26 N 4.76 5.04 -0.06 6.45 -1.09 -1.26 -1.96 121.20 133.08 2bw2 s ILE 26 Ca 0.54 0.92 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 2bw2 s ILE 26 Cb -0.11 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 2bw2 s ILE 26 CO 0.30 0.05 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.22 2bw2 s GLU 27 N 2.38 2.61 -0.25 2.79 2.12 0.74 -4.93 118.70 124.16 2bw2 s GLU 27 Ca 0.22 -0.68 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 2bw2 s GLU 27 Cb -0.16 -2.42 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 2bw2 s GLU 27 CO 0.09 0.58 0.02 -1.01 -0.54 0.00 0.00 175.26 174.41 2bw2 s HIS 28 N -0.62 3.05 -0.02 5.30 3.76 -1.26 -0.15 115.29 125.34 2bw2 s HIS 28 Ca 0.09 -0.81 0.07 0.00 -0.15 0.00 0.00 55.06 54.26 2bw2 s HIS 28 Cb -0.11 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 2bw2 s HIS 28 CO 0.01 -0.50 -0.22 0.15 -0.85 0.00 0.00 174.74 173.33 2bw2 s LYS 29 N 1.52 1.86 -0.23 1.40 -0.14 -0.37 -4.99 119.74 118.80 2bw2 s LYS 29 Ca 0.05 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 53.89 2bw2 s LYS 29 Cb -0.15 -1.76 0.05 0.00 -1.68 0.00 0.00 37.83 34.28 2bw2 s LYS 29 CO 0.00 0.45 -0.13 -3.38 -0.76 0.00 0.00 175.35 171.53 2bw2 s HIS 30 N -0.44 2.94 -0.02 3.18 -3.43 -1.26 -0.32 115.29 115.95 2bw2 s HIS 30 Ca 0.06 -2.00 0.03 0.00 -0.80 0.00 0.00 55.06 52.36 2bw2 s HIS 30 Cb -0.09 -1.85 -0.00 0.00 -1.43 0.00 0.00 32.58 29.20 2bw2 s HIS 30 CO -0.00 -0.83 -0.12 -1.83 -2.00 0.00 0.00 174.74 169.96 2bw2 s GLU 31 N 1.22 1.11 -0.38 -0.38 -1.05 0.70 -4.93 118.70 114.99 2bw2 s GLU 31 Ca -0.04 -0.42 -0.18 0.00 -0.15 0.00 0.00 54.97 54.18 2bw2 s GLU 31 Cb -0.18 -1.04 0.00 0.00 -0.44 0.00 0.00 34.13 32.48 2bw2 s GLU 31 CO -0.08 0.21 0.47 0.15 0.95 0.00 0.00 175.26 176.97 2bw2 s LYS 32 N -0.08 3.44 -0.05 -4.83 1.02 -1.24 -0.23 119.74 117.77 2bw2 s LYS 32 Ca 0.01 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 55.67 2bw2 s LYS 32 Cb -0.07 -3.86 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 2bw2 s LYS 32 CO 0.00 -0.71 -0.24 0.54 -0.92 0.00 0.00 175.35 174.02 2bw2 s VAL 33 N 2.29 2.15 -0.11 3.17 0.11 0.05 -4.72 120.40 123.35 2bw2 s VAL 33 Ca 0.16 -1.04 0.22 0.00 -2.93 0.00 0.00 61.98 58.38 2bw2 s VAL 33 Cb -0.16 -1.77 0.22 0.00 -1.53 0.00 0.00 36.38 33.13 2bw2 s VAL 33 CO 0.14 0.57 1.66 -0.26 -3.33 0.00 0.00 175.10 173.88 2bw2 h PHE 34 N 5.88 0.00 -3.03 1.54 0.04 -1.87 0.34 116.94 119.84 2bw2 h PHE 34 Ca -0.36 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.18 2bw2 h PHE 34 Cb 1.16 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.98 2bw2 h PHE 34 CO 0.42 0.24 -0.56 0.45 -0.60 0.00 0.00 178.31 178.27 2bw2 s SER 35 N -6.24 0.25 0.50 2.17 0.15 -1.26 -2.49 113.70 106.77 2bw2 s SER 35 Ca 0.03 0.46 0.19 0.00 0.70 0.00 0.00 55.95 57.33 2bw2 s SER 35 Cb 0.08 0.43 1.25 0.00 -1.71 0.00 0.00 66.02 66.06 2bw2 s SER 35 CO 0.67 -0.21 2.03 0.24 1.20 0.00 0.00 173.24 177.17 2bw2 h MET 36 N 7.89 0.13 -0.57 5.44 2.86 -1.92 -0.55 114.93 128.21 2bw2 h MET 36 Ca -0.25 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2bw2 h MET 36 Cb 1.13 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 2bw2 h MET 36 CO 0.24 0.09 0.22 0.22 1.06 0.00 0.00 176.91 178.74 2bw2 h ASP 37 N 0.14 0.75 0.44 1.22 3.58 -1.95 0.15 116.42 120.74 2bw2 h ASP 37 Ca 0.20 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 2bw2 h ASP 37 Cb 0.62 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2bw2 h ASP 37 CO -0.03 0.68 -0.60 -0.78 -2.88 0.00 0.00 179.24 175.64 2bw2 h ASP 38 N 0.81 0.18 -0.30 2.28 3.58 -1.48 -1.57 116.42 119.92 2bw2 h ASP 38 Ca 0.19 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 2bw2 h ASP 38 Cb 0.16 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2bw2 h ASP 38 CO -0.02 0.73 -0.38 0.15 -2.88 0.00 0.00 179.24 176.84 2bw2 h PHE 39 N 0.12 0.95 -0.65 0.28 3.04 -1.00 -1.40 116.94 118.27 2bw2 h PHE 39 Ca -0.01 -0.31 -0.05 0.00 3.98 0.00 0.00 57.97 61.59 2bw2 h PHE 39 Cb 1.08 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 2bw2 h PHE 39 CO 0.01 1.09 0.22 -1.49 -2.02 0.00 0.00 178.31 176.12 2bw2 h TRP 40 N 0.54 1.01 -0.14 0.41 -0.00 -0.43 -0.87 115.95 116.47 2bw2 h TRP 40 Ca 0.04 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.89 58.72 2bw2 h TRP 40 Cb 0.97 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.82 2bw2 h TRP 40 CO 0.07 0.80 -0.45 0.00 -0.00 0.00 0.00 178.44 178.86 2bw2 h ALA 41 N 1.28 0.98 -0.56 1.49 0.00 -1.24 0.23 119.26 121.44 2bw2 h ALA 41 Ca 0.22 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2bw2 h ALA 41 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bw2 h ALA 41 CO -0.01 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 2bw2 h ALA 42 N 1.26 0.81 -0.29 0.00 0.00 -0.30 -3.18 119.26 117.56 2bw2 h ALA 42 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bw2 h ALA 42 Cb 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2bw2 h ALA 42 CO 0.07 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.65 2bw2 n TYR 43 N -4.16 0.85 -0.18 0.00 4.02 -0.42 -4.70 117.16 112.58 2bw2 n TYR 43 Ca 0.02 -0.78 0.29 0.00 -0.01 0.00 0.00 57.90 57.42 2bw2 n TYR 43 Cb 0.38 -0.25 0.72 0.00 -0.02 0.00 0.00 39.34 40.18 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 1.91 2.82 0.00 -0.72 0.00 -0.51 0.12 119.26 122.87 2bw2 h ALA 44 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2bw2 h ALA 44 Cb 1.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2bw2 h ALA 44 CO 0.18 -1.17 -0.56 0.78 0.00 0.00 0.00 179.25 178.47 2bw2 h GLY 45 N 0.00 0.00 -1.49 0.00 0.00 -1.85 -3.45 103.07 96.27 2bw2 h GLY 45 Ca 0.43 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.26 2bw2 h GLY 45 CO -0.00 0.00 0.37 -0.98 0.00 0.00 0.00 176.54 175.92 2bw2 s TRP 46 N -2.96 2.97 -0.27 5.60 0.52 0.03 -4.96 118.94 119.87 2bw2 s TRP 46 Ca 0.04 1.48 -0.21 0.00 0.02 0.00 0.00 56.10 57.42 2bw2 s TRP 46 Cb 0.08 -2.96 -0.01 0.00 -1.15 0.00 0.00 33.47 29.42 2bw2 s TRP 46 CO 0.75 -1.29 0.69 0.99 0.02 0.00 0.00 176.95 178.11 2bw2 s THR 47 N -2.78 4.92 -0.38 2.01 2.01 0.14 -4.83 115.64 116.73 2bw2 s THR 47 Ca 0.61 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.49 2bw2 s THR 47 Cb -0.15 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2bw2 s THR 47 CO 0.48 -0.06 1.37 -0.22 -0.69 0.00 0.00 174.62 175.50 2bw2 s LEU 48 N 2.65 3.67 -0.15 4.42 1.98 -1.26 -0.51 118.68 129.47 2bw2 s LEU 48 Ca 0.28 0.91 -0.18 0.00 -2.89 0.00 0.00 54.13 52.25 2bw2 s LEU 48 Cb -0.15 -3.54 -0.23 0.00 0.66 0.00 0.00 46.19 42.92 2bw2 s LEU 48 CO 0.09 -1.33 0.41 0.58 -1.89 0.00 0.00 176.35 174.21 2bw2 h VAL 49 N 6.31 1.01 -3.05 1.68 2.07 -1.10 -3.49 116.25 119.68 2bw2 h VAL 49 Ca -0.27 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 2bw2 h VAL 49 Cb 1.10 2.54 -0.11 0.00 -1.52 0.00 0.00 31.29 33.30 2bw2 h VAL 49 CO 1.07 0.55 0.18 -1.83 0.02 0.00 0.00 177.57 177.56 2bw2 s GLU 50 N -2.41 1.30 -0.09 1.57 -1.05 -1.08 -5.02 118.70 111.93 2bw2 s GLU 50 Ca -0.24 -0.55 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 2bw2 s GLU 50 Cb 0.05 0.58 0.02 0.00 -0.44 0.00 0.00 34.13 34.34 2bw2 s GLU 50 CO 0.68 -0.57 0.23 1.14 0.95 0.00 0.00 175.26 177.70 2bw2 s GLN 51 N -3.77 0.27 -0.34 -4.83 -2.07 -1.26 -0.20 119.66 107.46 2bw2 s GLN 51 Ca 0.02 0.32 0.01 0.00 -1.82 0.00 0.00 55.36 53.90 2bw2 s GLN 51 Cb -0.01 0.13 0.14 0.00 -1.09 0.00 0.00 33.01 32.18 2bw2 s GLN 51 CO -0.11 -0.03 0.32 -1.59 -1.32 0.00 0.00 175.29 172.56 2bw2 s LYS 52 N 0.13 0.51 0.05 9.60 -2.85 0.78 -5.00 119.74 122.95 2bw2 s LYS 52 Ca -0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 2bw2 s LYS 52 Cb -0.02 -0.79 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 2bw2 s LYS 52 CO 0.00 -1.14 0.00 1.17 0.10 0.00 0.00 175.35 175.49 2bw2 n LYS 53 N 4.60 0.00 0.08 1.78 0.00 -1.26 -0.37 118.16 122.99 2bw2 n LYS 53 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.49 2bw2 n LYS 53 Cb 0.44 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.62 2bw2 n LYS 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2bw2 h GLY 54 N 0.00 0.00 -5.15 3.14 0.00 -1.96 -3.45 103.07 95.65 2bw2 h GLY 54 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2bw2 h GLY 54 CO 0.00 0.00 -0.84 -0.47 0.00 0.00 0.00 176.54 175.23 2bw2 s TYR 55 N -3.20 1.72 -0.03 5.60 5.04 0.50 -0.08 117.35 126.90 2bw2 s TYR 55 Ca 0.05 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 2bw2 s TYR 55 Cb 0.12 -1.14 -0.00 0.00 0.35 0.00 0.00 41.96 41.29 2bw2 s TYR 55 CO 0.73 -0.13 -0.12 0.08 -1.34 0.00 0.00 175.55 174.77 2bw2 s VAL 56 N -0.10 1.02 -0.25 3.14 1.01 0.41 -0.16 120.40 125.47 2bw2 s VAL 56 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2bw2 s VAL 56 Cb -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2bw2 s VAL 56 CO 0.01 0.30 -0.02 -0.22 0.00 0.00 0.00 175.10 175.18 2bw2 s LEU 57 N 0.06 3.29 0.08 3.92 2.96 0.72 -0.30 118.68 129.42 2bw2 s LEU 57 Ca -0.02 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2bw2 s LEU 57 Cb -0.09 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2bw2 s LEU 57 CO 0.01 -0.12 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.32 2bw2 s PHE 58 N 1.41 2.07 0.03 5.38 0.08 -0.06 -0.43 117.98 126.46 2bw2 s PHE 58 Ca 0.02 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.74 2bw2 s PHE 58 Cb -0.16 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2bw2 s PHE 58 CO -0.02 0.19 -0.18 -0.98 -0.10 0.00 0.00 175.22 174.13 2bw2 s ARG 59 N -1.57 1.25 -0.05 0.44 1.70 0.33 -0.35 118.95 120.71 2bw2 s ARG 59 Ca 0.10 -0.79 -0.01 0.00 -0.47 0.00 0.00 55.73 54.56 2bw2 s ARG 59 Cb -0.10 -1.29 0.03 0.00 -0.57 0.00 0.00 34.95 33.02 2bw2 s ARG 59 CO 0.03 0.33 0.02 0.21 -1.08 0.00 0.00 175.30 174.82 2bw2 s LYS 60 N -0.95 0.29 -0.03 3.89 2.47 0.73 0.26 119.74 126.40 2bw2 s LYS 60 Ca 0.05 0.18 0.07 0.00 -1.56 0.00 0.00 55.97 54.71 2bw2 s LYS 60 Cb -0.08 -0.66 -0.02 0.00 -1.46 0.00 0.00 37.83 35.61 2bw2 s LYS 60 CO 0.01 -0.25 -0.24 1.14 0.16 0.00 0.00 175.35 176.17 2bw2 s GLN 61 N 1.69 2.27 0.16 4.03 -2.07 -1.26 -3.39 119.66 121.10 2bw2 s GLN 61 Ca -0.00 -0.90 0.07 0.00 -1.82 0.00 0.00 55.36 52.71 2bw2 s GLN 61 Cb -0.13 -2.11 -0.04 0.00 -1.09 0.00 0.00 33.01 29.64 2bw2 s GLN 61 CO -0.03 0.52 -0.14 -1.64 -1.32 0.00 0.00 175.29 172.68 2bw2 s MET 62 N -0.51 1.18 -0.89 9.60 -1.94 -1.23 -4.93 119.30 120.59 2bw2 s MET 62 Ca 0.07 -1.42 -0.19 0.00 -1.71 0.00 0.00 55.69 52.44 2bw2 s MET 62 Cb -0.11 -1.02 0.13 0.00 2.01 0.00 0.00 34.83 35.84 2bw2 s MET 62 CO 0.00 0.18 1.09 0.34 -0.01 0.00 0.00 175.02 176.62 2bw2 s ASP 63 N -2.89 6.57 0.04 3.03 2.15 -1.26 -4.49 116.67 119.82 2bw2 s ASP 63 Ca 0.16 -1.94 -0.05 0.00 0.43 0.00 0.00 52.55 51.15 2bw2 s ASP 63 Cb -0.03 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2bw2 s ASP 63 CO 0.05 -1.09 0.23 -0.67 -0.17 0.00 0.00 175.17 173.51 2bw2 n ASP 64 N 6.59 -0.39 -4.75 -0.34 -0.08 -1.26 -5.02 116.55 111.30 2bw2 n ASP 64 Ca 0.20 -1.21 -0.26 0.00 -1.51 0.00 0.00 54.79 52.01 2bw2 n ASP 64 Cb 0.48 0.64 -0.07 0.00 2.34 0.00 0.00 41.12 44.51 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2bw2 s ILE 65 N -2.47 2.02 0.75 5.18 -4.36 -1.26 -1.02 121.20 120.03 2bw2 s ILE 65 Ca 0.05 -1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 58.54 2bw2 s ILE 65 Cb -0.01 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.99 2bw2 s ILE 65 CO 0.01 0.00 1.20 -0.94 0.24 0.00 0.00 174.94 175.45 2bw2 s SER 66 N -3.93 4.10 0.63 4.36 1.04 -1.26 -4.87 113.70 113.77 2bw2 s SER 66 Ca 0.34 2.32 0.35 0.00 0.48 0.00 0.00 55.95 59.45 2bw2 s SER 66 Cb 0.04 -2.58 1.99 0.00 0.10 0.00 0.00 66.02 65.56 2bw2 s SER 66 CO 0.19 -2.33 2.22 1.55 0.98 0.00 0.00 173.24 175.86 2bw2 h PRO 67 N -0.45 0.00 0.16 4.02 0.13 -1.99 -2.14 132.00 131.72 2bw2 h PRO 67 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 2bw2 h PRO 67 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bw2 h PRO 67 CO 0.49 0.00 -1.83 1.25 -0.23 0.00 0.00 178.00 177.68 2bw2 h LEU 68 N 0.00 0.53 -2.22 1.56 7.12 -1.95 -3.27 115.31 117.09 2bw2 h LEU 68 Ca 0.02 -0.92 -0.01 0.00 0.13 0.00 0.00 57.88 57.10 2bw2 h LEU 68 Cb 0.20 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2bw2 h LEU 68 CO -0.00 1.79 -0.06 -1.28 -0.13 0.00 0.00 178.44 178.76 2bw2 h SER 69 N 0.09 0.00 0.09 1.25 0.87 -1.62 0.28 113.55 114.51 2bw2 h SER 69 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2bw2 h SER 69 Cb 2.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 2bw2 h SER 69 CO 0.15 0.06 -0.08 2.29 -0.53 0.00 0.00 176.83 178.72 2bw2 n LYS 70 N -3.62 1.31 -0.10 2.24 2.85 -0.94 -0.82 118.16 119.07 2bw2 n LYS 70 Ca -0.02 -0.70 -0.17 0.00 -1.05 0.00 0.00 58.31 56.37 2bw2 n LYS 70 Cb 0.17 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 32.97 2bw2 n LYS 70 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2bw2 n VAL 71 N -0.23 1.17 -2.92 0.58 0.24 0.34 -4.89 118.33 112.62 2bw2 n VAL 71 Ca 0.17 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 2bw2 n VAL 71 Cb 0.33 -1.37 -0.00 0.00 -1.47 0.00 0.00 33.84 31.32 2bw2 n VAL 71 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2bw2 n ASN 72 N -3.33 -2.06 -4.56 -1.34 5.03 0.71 -4.80 115.26 104.91 2bw2 n ASN 72 Ca -0.38 -2.98 -0.41 0.00 0.87 0.00 0.00 54.58 51.68 2bw2 n ASN 72 Cb 0.86 1.00 -0.03 0.00 -1.02 0.00 0.00 39.78 40.59 2bw2 n ASN 72 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2bw2 s GLY 73 N -0.84 0.77 -0.36 7.41 0.00 -0.00 -4.03 107.32 110.26 2bw2 s GLY 73 Ca 0.32 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 2bw2 s GLY 73 CO -0.17 2.85 0.13 -0.19 0.00 0.00 0.00 173.10 175.72 2bw2 s TYR 74 N 6.46 3.35 -0.25 1.90 1.51 -1.21 -3.23 117.35 125.88 2bw2 s TYR 74 Ca 0.48 -1.77 -0.22 0.00 -1.01 0.00 0.00 57.07 54.55 2bw2 s TYR 74 Cb -0.10 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 2bw2 s TYR 74 CO 0.20 -0.83 0.72 0.42 -1.11 0.00 0.00 175.55 174.96 2bw2 s ILE 75 N 1.31 4.91 -0.35 2.71 1.01 -1.26 -0.29 121.20 129.24 2bw2 s ILE 75 Ca 0.01 1.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.94 2bw2 s ILE 75 Cb -0.21 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.30 2bw2 s ILE 75 CO 0.00 -0.02 0.11 -0.83 0.00 0.00 0.00 174.94 174.20 2bw2 s GLY 76 N 1.41 1.86 -0.20 6.18 0.00 0.67 -3.67 107.32 113.57 2bw2 s GLY 76 Ca 0.30 -1.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.03 2bw2 s GLY 76 CO 0.08 0.82 0.03 0.14 0.00 0.00 0.00 173.10 174.17 2bw2 s VAL 77 N 1.32 4.24 0.56 1.40 1.01 -0.49 -2.35 120.40 126.09 2bw2 s VAL 77 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2bw2 s VAL 77 Cb -0.21 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.28 2bw2 s VAL 77 CO 0.01 0.42 0.79 -0.44 0.00 0.00 0.00 175.10 175.87 2bw2 s SER 78 N 0.91 5.29 0.34 3.32 0.01 -0.96 -3.96 113.70 118.65 2bw2 s SER 78 Ca 0.02 0.06 0.13 0.00 1.31 0.00 0.00 55.95 57.47 2bw2 s SER 78 Cb -0.14 -0.96 1.00 0.00 0.21 0.00 0.00 66.02 66.13 2bw2 s SER 78 CO 0.02 -1.14 1.70 -0.78 0.41 0.00 0.00 173.24 173.45 2bw2 h ASP 79 N 0.04 0.59 -0.01 2.44 3.58 -1.97 0.52 116.42 121.61 2bw2 h ASP 79 Ca -0.43 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2bw2 h ASP 79 Cb 1.29 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2bw2 h ASP 79 CO 0.53 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.48 2bw2 n ASN 80 N -4.93 0.07 -0.63 2.28 3.02 -1.26 -4.32 115.26 109.49 2bw2 n ASN 80 Ca 0.29 -1.95 -0.02 0.00 -0.03 0.00 0.00 54.58 52.87 2bw2 n ASN 80 Cb 0.87 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.55 0.63 3.62 7.41 0.00 0.18 -1.98 105.19 115.59 2bw2 n GLY 81 Ca 0.02 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.73 4.06 -0.05 1.61 1.01 -1.03 -0.89 120.40 122.38 2bw2 s VAL 82 Ca 0.04 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.17 2bw2 s VAL 82 Cb -0.02 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2bw2 s VAL 82 CO 0.05 -0.62 1.85 -0.38 0.00 0.00 0.00 175.10 176.00 2bw2 n ILE 83 N 6.58 1.96 -3.43 2.22 2.08 -0.09 -2.27 119.36 126.40 2bw2 n ILE 83 Ca 0.15 -0.59 -0.38 0.00 0.56 0.00 0.00 62.75 62.49 2bw2 n ILE 83 Cb 0.47 -1.39 -0.06 0.00 -0.75 0.00 0.00 39.64 37.91 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 1.57 6.87 0.26 4.38 1.04 -0.99 -3.92 113.70 122.91 2bw2 s SER 84 Ca 0.05 1.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.43 2bw2 s SER 84 Cb 0.04 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 2bw2 s SER 84 CO 0.00 0.29 0.57 0.42 0.98 0.00 0.00 173.24 175.50 2bw2 s THR 85 N -1.14 4.93 0.20 2.02 -4.23 -1.26 -0.24 115.64 115.92 2bw2 s THR 85 Ca 0.27 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2bw2 s THR 85 Cb -0.17 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 2bw2 s THR 85 CO 0.16 -0.16 0.08 -0.36 -0.54 0.00 0.00 174.62 173.80 2bw2 s PHE 86 N -1.92 1.26 -0.41 3.99 0.40 0.60 -2.03 117.98 119.88 2bw2 s PHE 86 Ca 0.47 -1.21 -0.05 0.00 -0.60 0.00 0.00 56.93 55.55 2bw2 s PHE 86 Cb -0.11 -0.70 0.10 0.00 0.51 0.00 0.00 43.02 42.82 2bw2 s PHE 86 CO 0.23 -0.42 0.22 -3.38 0.70 0.00 0.00 175.22 172.58 2bw2 s HIS 87 N -3.88 3.48 0.00 0.36 -3.43 -1.26 -3.31 115.29 107.24 2bw2 s HIS 87 Ca 0.33 -2.10 0.00 0.00 -0.80 0.00 0.00 55.06 52.49 2bw2 s HIS 87 Cb 0.07 -3.10 0.00 0.00 -1.43 0.00 0.00 32.58 28.12 2bw2 s HIS 87 CO 0.09 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.31 2bw2 n GLY 88 N 4.71 0.21 3.65 -1.38 0.00 -1.26 -4.96 105.19 106.17 2bw2 n GLY 88 Ca -0.06 -1.95 -0.58 0.00 0.00 0.00 0.00 46.02 43.44 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 0.19 0.82 -2.72 1.61 5.12 -1.26 -4.75 116.66 115.66 2bw2 n ARG 89 Ca 0.00 0.30 -0.43 0.00 -1.93 0.00 0.00 57.85 55.79 2bw2 n ARG 89 Cb 0.00 -1.91 -0.03 0.00 -1.16 0.00 0.00 32.46 29.36 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 2.04 4.12 0.21 5.56 0.04 -1.26 -4.80 135.00 140.91 2bw2 s PRO 90 Ca 0.94 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2bw2 s PRO 90 Cb -1.13 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 29.68 2bw2 s PRO 90 CO 0.61 -0.75 0.16 -1.83 0.04 0.00 0.00 177.00 175.23 2bw2 s GLU 91 N 3.33 1.25 0.55 4.56 -1.05 -1.26 -4.85 118.70 121.22 2bw2 s GLU 91 Ca 0.42 -1.64 0.32 0.00 -0.15 0.00 0.00 54.97 53.92 2bw2 s GLU 91 Cb -0.14 0.28 1.55 0.00 -0.44 0.00 0.00 34.13 35.39 2bw2 s GLU 91 CO 0.11 -0.42 2.08 -1.00 0.95 0.00 0.00 175.26 176.98 2bw2 h PRO 92 N 2.57 0.00 -0.01 -4.83 0.13 -2.02 -1.12 132.00 126.73 2bw2 h PRO 92 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.51 0.08 -0.06 0.00 -0.23 0.00 0.00 178.00 178.30 2bw2 n ALA 93 N -2.19 2.70 -2.66 -0.56 0.00 -1.26 -4.80 120.51 111.73 2bw2 n ALA 93 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 2bw2 n ALA 93 Cb 0.24 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bw2 s SER 94 N -2.26 6.37 -0.33 0.00 1.04 -0.43 -5.06 113.70 113.04 2bw2 s SER 94 Ca 0.36 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 57.15 2bw2 s SER 94 Cb 0.21 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 2bw2 s SER 94 CO 0.42 -0.17 0.32 -1.61 0.98 0.00 0.00 173.24 173.18 2bw2 s GLU 95 N -3.73 3.65 0.22 4.02 2.02 -1.26 -4.81 118.70 118.81 2bw2 s GLU 95 Ca 0.40 -0.39 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 2bw2 s GLU 95 Cb -0.10 -3.77 -0.09 0.00 0.10 0.00 0.00 34.13 30.26 2bw2 s GLU 95 CO 0.32 -0.44 1.37 -2.14 0.02 0.00 0.00 175.26 174.39 2bw2 s PRO 96 N 1.95 4.33 -0.06 0.39 0.02 -1.26 -4.62 135.00 135.74 2bw2 s PRO 96 Ca 0.11 2.18 -0.25 0.00 0.02 0.00 0.00 61.00 63.06 2bw2 s PRO 96 Cb -0.17 -3.15 -0.25 0.00 0.02 0.00 0.00 34.50 30.95 2bw2 s PRO 96 CO 0.11 -0.33 0.98 0.82 -0.33 0.00 0.00 177.00 178.25 2bw2 h ILE 97 N 3.64 1.57 -1.82 2.83 2.04 -1.78 -3.49 117.51 120.50 2bw2 h ILE 97 Ca -0.45 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.34 2bw2 h ILE 97 Cb 1.22 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 2bw2 h ILE 97 CO 0.77 0.57 0.00 0.00 0.00 0.00 0.00 178.15 179.49 2bw2 n GLN 98 N -4.47 0.00 -3.71 2.37 0.00 -1.26 -4.93 117.38 105.38 2bw2 n GLN 98 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.77 2bw2 n GLN 98 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.65 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2bw2 s SER 99 N -0.50 -0.05 0.00 2.61 0.01 -1.26 -4.39 113.70 110.11 2bw2 s SER 99 Ca 0.00 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2bw2 s SER 99 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2bw2 s SER 99 CO 0.00 -0.19 0.00 0.49 0.41 0.00 0.00 173.24 173.95 2bw2 n PHE 100 N 4.59 0.00 -3.88 2.43 3.72 -1.25 -5.00 117.46 118.06 2bw2 n PHE 100 Ca -0.19 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.99 2bw2 n PHE 100 Cb 0.52 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 2bw2 n PHE 100 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2bw2 s PHE 101 N 0.00 2.73 -0.11 1.38 0.40 -1.26 -4.94 117.98 116.17 2bw2 s PHE 101 Ca 0.00 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2bw2 s PHE 101 Cb 0.00 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.66 2bw2 s PHE 101 CO 0.00 0.14 -0.07 -1.14 0.70 0.00 0.00 175.22 174.84 2bw2 s GLN 102 N -3.97 1.50 0.10 0.44 0.74 -1.22 -0.91 119.66 116.33 2bw2 s GLN 102 Ca 0.42 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.62 2bw2 s GLN 102 Cb -0.02 -1.57 -0.04 0.00 1.10 0.00 0.00 33.01 32.48 2bw2 s GLN 102 CO 0.25 -0.27 -0.09 0.96 -0.55 0.00 0.00 175.29 175.60 2bw2 s ILE 103 N 1.71 0.86 -0.48 -2.34 -4.36 -0.07 -3.77 121.20 112.75 2bw2 s ILE 103 Ca 0.05 -1.77 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 2bw2 s ILE 103 Cb -0.13 -1.49 0.01 0.00 1.25 0.00 0.00 42.46 42.10 2bw2 s ILE 103 CO -0.08 -0.69 1.45 -1.81 0.24 0.00 0.00 174.94 174.05 2bw2 s ASP 104 N -2.71 6.17 0.38 4.36 1.01 -1.26 -2.20 116.67 122.42 2bw2 s ASP 104 Ca 0.08 0.58 0.18 0.00 0.71 0.00 0.00 52.55 54.11 2bw2 s ASP 104 Cb 0.00 -2.54 0.74 0.00 1.01 0.00 0.00 42.92 42.13 2bw2 s ASP 104 CO -0.02 -1.62 1.77 -0.07 0.21 0.00 0.00 175.17 175.45 2bw2 h LEU 105 N 12.88 0.00 -1.62 1.23 3.38 -1.86 -0.84 115.31 128.49 2bw2 h LEU 105 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2bw2 h LEU 105 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 105 CO 1.13 0.37 -0.01 1.05 0.09 0.00 0.00 178.44 181.07 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.87 -1.23 114.58 116.72 2bw2 h GLU 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bw2 h GLU 106 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2bw2 h GLU 106 CO 0.05 0.01 -0.57 2.89 0.07 0.00 0.00 179.01 181.45 2bw2 n ARG 107 N -3.11 0.28 -0.80 1.06 1.85 -0.37 -4.84 116.66 110.73 2bw2 n ARG 107 Ca 0.00 0.09 -0.30 0.00 -1.00 0.00 0.00 57.85 56.64 2bw2 n ARG 107 Cb 0.28 -1.69 0.18 0.00 -1.05 0.00 0.00 32.46 30.18 2bw2 n ARG 107 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bw2 s LEU 108 N -4.20 2.23 0.00 2.89 1.02 -0.46 -5.01 118.68 115.14 2bw2 s LEU 108 Ca 0.07 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2bw2 s LEU 108 Cb 0.13 -4.15 0.00 0.00 0.02 0.00 0.00 46.19 42.19 2bw2 s LEU 108 CO 0.71 -3.22 0.58 -0.62 0.02 0.00 0.00 176.35 173.83 2bw2 n GLU 109 N -4.29 0.00 0.00 1.70 1.02 -1.26 -5.00 120.64 112.81 2bw2 n GLU 109 Ca 0.08 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2bw2 n GLU 109 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2bw2 n GLU 109 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bw2 n SER 110 N -1.16 0.00 0.17 1.62 3.41 -1.26 -5.01 113.62 111.39 2bw2 n SER 110 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2bw2 n SER 110 Cb 0.00 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2bw2 n SER 110 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2bw2 h HIS 111 N 0.00 0.00 -0.64 7.33 -0.00 -1.99 -3.28 115.15 116.58 2bw2 h HIS 111 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2bw2 h HIS 111 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 2bw2 h HIS 111 CO 0.00 0.33 0.40 0.00 -0.00 0.00 0.00 177.93 178.66 2bw2 h MET 112 N 0.00 0.77 -0.68 5.26 -0.00 -1.98 0.80 114.93 119.09 2bw2 h MET 112 Ca -0.01 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 59.60 2bw2 h MET 112 Cb 1.25 -0.17 -0.03 0.00 -0.00 0.00 0.00 31.60 32.65 2bw2 h MET 112 CO 0.04 0.51 0.24 -0.56 -0.00 0.00 0.00 176.91 177.15 2bw2 h GLN 113 N 0.79 1.02 0.00 -0.10 3.07 -1.92 -2.51 115.11 115.47 2bw2 h GLN 113 Ca 0.25 -0.19 -0.05 0.00 0.09 0.00 0.00 58.65 58.75 2bw2 h GLN 113 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.38 2bw2 h GLN 113 CO -0.09 0.85 -0.23 0.87 0.09 0.00 0.00 178.83 180.32 2bw2 h LYS 114 N 0.99 0.00 -0.34 0.06 1.57 -1.28 0.18 116.57 117.75 2bw2 h LYS 114 Ca 0.23 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2bw2 h LYS 114 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2bw2 h LYS 114 CO -0.01 0.23 -0.39 -0.91 -0.57 0.00 0.00 179.45 177.80 2bw2 h ASN 115 N 0.00 0.87 0.59 0.86 2.35 -0.47 -2.64 115.58 117.14 2bw2 h ASN 115 Ca -0.00 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.26 2bw2 h ASN 115 Cb 0.42 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2bw2 h ASN 115 CO 0.03 1.15 -0.46 -0.07 -1.65 0.00 0.00 177.43 176.43 2bw2 h LEU 116 N 0.67 0.00 -0.04 1.61 3.38 -0.86 -0.35 115.31 119.72 2bw2 h LEU 116 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bw2 h LEU 116 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2bw2 h LEU 116 CO 0.09 0.46 0.01 -0.07 0.09 0.00 0.00 178.44 179.02 2bw2 h LEU 117 N 0.00 0.06 0.00 1.67 3.38 -0.49 -1.30 115.31 118.64 2bw2 h LEU 117 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bw2 h LEU 117 Cb 0.88 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2bw2 h LEU 117 CO 0.06 0.27 -0.28 0.07 0.09 0.00 0.00 178.44 178.66 2bw2 h LYS 118 N -0.15 0.00 0.00 1.13 -0.00 -1.37 -3.43 116.57 112.75 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.46 2bw2 h LYS 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.86 2bw2 n GLY 119 N 1.16 1.05 3.72 0.07 0.00 -0.15 -4.21 105.19 106.83 2bw2 n GLY 119 Ca 0.03 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.19 3.50 -0.16 -0.61 -1.09 -1.24 -4.90 121.20 116.52 2bw2 s ILE 120 Ca 0.00 1.12 0.29 0.00 -2.23 0.00 0.00 60.65 59.83 2bw2 s ILE 120 Cb 0.00 -3.72 0.32 0.00 -1.58 0.00 0.00 42.46 37.48 2bw2 s ILE 120 CO 0.00 0.11 1.86 1.55 -1.23 0.00 0.00 174.94 177.23 2bw2 h PRO 121 N 6.38 0.00 -1.79 2.79 0.13 -1.94 -3.24 132.00 134.33 2bw2 h PRO 121 Ca -0.43 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2bw2 h PRO 121 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2bw2 h PRO 121 CO 0.82 0.00 0.36 0.12 -0.23 0.00 0.00 178.00 179.07 2bw2 s PHE 122 N -3.52 -0.53 0.13 1.56 5.36 -1.20 -3.96 117.98 115.82 2bw2 s PHE 122 Ca 0.02 0.94 -0.08 0.00 -0.96 0.00 0.00 56.93 56.85 2bw2 s PHE 122 Cb 0.09 0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 43.18 2bw2 s PHE 122 CO 0.45 -0.46 0.23 1.03 -1.46 0.00 0.00 175.22 175.00 2bw2 s ARG 123 N -1.03 1.02 0.22 10.12 1.81 -1.22 -4.65 118.95 125.23 2bw2 s ARG 123 Ca -0.06 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 2bw2 s ARG 123 Cb -0.01 0.35 -0.05 0.00 -0.45 0.00 0.00 34.95 34.80 2bw2 s ARG 123 CO 0.05 -0.35 0.10 0.99 -0.68 0.00 0.00 175.30 175.41 2bw2 s THR 124 N -3.94 0.32 0.20 0.02 2.01 -1.26 -4.28 115.64 108.70 2bw2 s THR 124 Ca 0.14 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.03 2bw2 s THR 124 Cb 0.04 -2.52 0.13 0.00 0.01 0.00 0.00 72.50 70.16 2bw2 s THR 124 CO -0.04 -0.05 1.85 0.07 -0.69 0.00 0.00 174.62 175.75 2bw2 h LYS 125 N 2.52 0.93 0.00 4.92 2.10 -1.96 0.12 116.57 125.20 2bw2 h LYS 125 Ca -0.37 -0.08 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 2bw2 h LYS 125 Cb 1.24 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2bw2 h LYS 125 CO 0.58 0.65 -0.15 0.00 -2.00 0.00 0.00 179.45 178.53 2bw2 h ALA 126 N 1.23 0.92 0.00 0.07 0.00 -1.99 -2.84 119.26 116.64 2bw2 h ALA 126 Ca 0.25 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2bw2 h ALA 126 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2bw2 h ALA 126 CO -0.05 0.13 -1.01 0.93 0.00 0.00 0.00 179.25 179.24 2bw2 h GLU 127 N 0.00 0.00 0.23 0.00 5.08 -1.77 -2.11 114.58 116.01 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 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2bw2 h GLU 127 CO 0.01 0.79 -0.11 0.35 -1.00 0.00 0.00 179.01 179.05 2bw2 h PHE 128 N 0.00 -0.29 0.00 4.33 3.57 -0.57 -2.25 116.94 121.74 2bw2 h PHE 128 Ca -0.05 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2bw2 h PHE 128 Cb 1.71 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 2bw2 h PHE 128 CO 0.00 0.00 -0.19 1.05 -2.23 0.00 0.00 178.31 176.94 2bw2 h GLU 129 N -0.57 0.00 -0.38 1.11 4.11 -1.57 0.17 114.58 117.44 2bw2 h GLU 129 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 2bw2 h GLU 129 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2bw2 h GLU 129 CO 0.05 0.19 -0.01 0.22 0.07 0.00 0.00 179.01 179.54 2bw2 h ASP 130 N 0.00 0.67 0.33 3.06 3.58 -1.23 0.21 116.42 123.05 2bw2 h ASP 130 Ca -0.00 -0.31 -0.27 0.00 0.42 0.00 0.00 57.03 56.86 2bw2 h ASP 130 Cb 0.45 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.33 2bw2 h ASP 130 CO 0.03 0.82 -1.16 1.62 -2.88 0.00 0.00 179.24 177.67 2bw2 h VAL 131 N 0.51 1.37 -0.25 2.25 3.04 -1.06 -3.22 116.25 118.89 2bw2 h VAL 131 Ca 0.11 -2.62 -0.09 0.00 -1.01 0.00 0.00 66.70 63.10 2bw2 h VAL 131 Cb 0.48 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.43 2bw2 h VAL 131 CO 0.02 0.78 -0.22 0.40 -1.01 0.00 0.00 177.57 177.55 2bw2 h ILE 132 N 0.21 1.25 0.00 3.17 5.03 -0.53 -1.31 117.51 125.33 2bw2 h ILE 132 Ca -0.14 -1.18 -0.05 0.00 -0.12 0.00 0.00 64.86 63.37 2bw2 h ILE 132 Cb 1.83 1.30 -0.01 0.00 -3.03 0.00 0.00 36.82 36.91 2bw2 h ILE 132 CO 0.21 0.38 -0.23 1.05 -0.68 0.00 0.00 178.15 178.87 2bw2 h GLU 133 N 0.41 0.00 0.00 2.37 4.11 -0.66 -1.51 114.58 119.31 2bw2 h GLU 133 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.44 2bw2 h GLU 133 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2bw2 h GLU 133 CO 0.04 0.23 -0.59 1.25 0.07 0.00 0.00 179.01 180.01 2bw2 h HIS 134 N 0.00 0.00 -0.03 2.06 2.76 -1.29 -3.03 115.15 115.62 2bw2 h HIS 134 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2bw2 h HIS 134 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2bw2 h HIS 134 CO 0.00 0.24 -0.28 0.52 -1.30 0.00 0.00 177.93 177.11 2bw2 h MET 135 N 0.00 0.24 0.00 5.26 2.86 -0.59 -3.31 114.93 119.39 2bw2 h MET 135 Ca -0.03 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2bw2 h MET 135 Cb 1.21 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2bw2 h MET 135 CO 0.03 0.90 0.00 1.57 1.06 0.00 0.00 176.91 180.46 2bw2 h LYS 136 N -0.34 0.00 0.00 1.72 2.10 -1.34 -1.31 116.57 117.40 2bw2 h LYS 136 Ca -0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2bw2 h LYS 136 Cb 0.97 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2bw2 h LYS 136 CO 0.06 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 177.37 2bw2 h THR 137 N 0.00 0.44 0.00 0.07 1.03 -1.62 -3.14 112.91 109.69 2bw2 h THR 137 Ca 0.00 -0.76 -0.05 0.00 -0.01 0.00 0.00 66.41 65.59 2bw2 h THR 137 Cb 0.36 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 2bw2 h THR 137 CO 0.00 0.14 -0.46 1.88 -0.01 0.00 0.00 175.52 177.07 2bw2 h TYR 138 N 0.00 0.00 -1.63 0.00 0.05 -1.42 -3.47 116.97 110.49 2bw2 h TYR 138 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.53 2bw2 h TYR 138 Cb 0.53 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.18 2bw2 h TYR 138 CO 0.00 0.44 -0.23 -1.13 -1.05 0.00 0.00 178.16 176.19 2bw2 n SER 139 N -4.62 -3.21 0.00 3.88 3.41 -1.00 -4.93 113.62 107.15 2bw2 n SER 139 Ca -0.11 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2bw2 n SER 139 Cb 0.31 -3.02 0.00 0.00 -0.26 0.00 0.00 64.21 61.24 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49