#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 n GLU 2 N 0.00 -0.37 -1.56 0.00 1.02 -1.26 -4.94 120.64 113.53 2bw2 n GLU 2 Ca 0.00 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.08 2bw2 n GLU 2 Cb 0.00 -0.45 0.20 0.00 -0.02 0.00 0.00 31.44 31.17 2bw2 n GLU 2 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bw2 s VAL 3 N -0.39 1.85 0.05 2.62 -7.23 -1.26 -5.03 120.40 111.01 2bw2 s VAL 3 Ca 0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 2bw2 s VAL 3 Cb 0.00 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 2bw2 s VAL 3 CO 0.00 0.00 0.60 -1.61 -0.31 0.00 0.00 175.10 173.78 2bw2 s GLU 4 N -5.63 4.28 0.51 4.82 2.02 -1.26 -5.06 118.70 118.38 2bw2 s GLU 4 Ca 0.71 0.77 0.05 0.00 0.02 0.00 0.00 54.97 56.52 2bw2 s GLU 4 Cb -0.08 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.88 2bw2 s GLU 4 CO 0.54 0.52 0.25 -1.01 0.02 0.00 0.00 175.26 175.58 2bw2 s HIS 5 N -0.72 1.90 -0.16 1.61 3.76 -1.26 -5.03 115.29 115.39 2bw2 s HIS 5 Ca 0.30 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2bw2 s HIS 5 Cb -0.19 -1.85 -0.23 0.00 1.11 0.00 0.00 32.58 31.42 2bw2 s HIS 5 CO 0.19 -0.15 0.21 0.66 -0.85 0.00 0.00 174.74 174.80 2bw2 n TYR 6 N -1.53 0.72 -2.87 1.40 4.02 -1.26 -4.90 117.16 112.75 2bw2 n TYR 6 Ca -0.06 0.18 -0.24 0.00 -0.01 0.00 0.00 57.90 57.77 2bw2 n TYR 6 Cb 0.65 -1.10 0.01 0.00 -0.02 0.00 0.00 39.34 38.88 2bw2 n TYR 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2bw2 s GLU 7 N -2.55 3.06 0.87 -0.72 2.02 -1.26 -5.11 118.70 115.01 2bw2 s GLU 7 Ca -0.22 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 2bw2 s GLU 7 Cb 0.07 -2.50 0.21 0.00 0.10 0.00 0.00 34.13 32.01 2bw2 s GLU 7 CO 0.74 -0.34 0.97 -0.35 0.02 0.00 0.00 175.26 176.30 2bw2 n PRO 8 N -2.17 -1.78 -3.94 0.39 -0.04 -1.26 -4.94 135.00 121.26 2bw2 n PRO 8 Ca 0.02 -1.52 -0.35 0.00 -0.04 0.00 0.00 63.50 61.60 2bw2 n PRO 8 Cb 0.58 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.72 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 3.04 -0.61 1.53 1.98 0.72 -4.79 118.68 120.54 2bw2 s LEU 9 Ca 0.58 -0.33 -0.28 0.00 -2.89 0.00 0.00 54.13 51.22 2bw2 s LEU 9 Cb -0.03 -1.78 0.03 0.00 0.66 0.00 0.00 46.19 45.07 2bw2 s LEU 9 CO 0.42 -0.00 1.25 -1.10 -1.89 0.00 0.00 176.35 175.03 2bw2 s GLN 10 N 1.38 3.42 -0.26 1.98 -0.21 -1.25 -0.60 119.66 124.11 2bw2 s GLN 10 Ca 0.05 0.18 -0.08 0.00 0.02 0.00 0.00 55.36 55.53 2bw2 s GLN 10 Cb -0.14 -4.06 -0.02 0.00 1.00 0.00 0.00 33.01 29.78 2bw2 s GLN 10 CO -0.01 -1.82 0.09 0.08 -2.12 0.00 0.00 175.29 171.51 2bw2 s VAL 11 N 5.29 4.38 -0.42 1.09 1.01 0.95 -4.66 120.40 128.04 2bw2 s VAL 11 Ca 0.43 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 2bw2 s VAL 11 Cb -0.08 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2bw2 s VAL 11 CO 0.23 0.27 0.38 -1.00 0.00 0.00 0.00 175.10 174.98 2bw2 s HIS 12 N 1.61 3.20 -0.15 5.22 3.76 0.10 -0.40 115.29 128.63 2bw2 s HIS 12 Ca 0.06 -0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 2bw2 s HIS 12 Cb -0.16 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 2bw2 s HIS 12 CO 0.04 -0.66 0.06 0.14 -0.85 0.00 0.00 174.74 173.47 2bw2 s VAL 13 N 1.94 4.76 -0.31 -0.90 -7.23 0.76 -0.60 120.40 118.83 2bw2 s VAL 13 Ca 0.09 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 2bw2 s VAL 13 Cb -0.18 -3.10 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 2bw2 s VAL 13 CO 0.12 0.52 0.19 -1.58 -0.31 0.00 0.00 175.10 174.04 2bw2 s GLN 14 N -0.16 3.59 -0.26 4.82 0.74 -0.01 -1.06 119.66 127.32 2bw2 s GLN 14 Ca 0.07 -0.56 -0.10 0.00 0.05 0.00 0.00 55.36 54.82 2bw2 s GLN 14 Cb -0.12 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 2bw2 s GLN 14 CO 0.01 -0.34 0.14 -0.51 -0.55 0.00 0.00 175.29 174.05 2bw2 s LEU 15 N 1.69 3.83 -0.22 3.68 2.01 0.81 -0.69 118.68 129.79 2bw2 s LEU 15 Ca 0.06 -0.06 -0.09 0.00 0.01 0.00 0.00 54.13 54.05 2bw2 s LEU 15 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 2bw2 s LEU 15 CO 0.09 -0.03 0.11 -1.61 1.01 0.00 0.00 176.35 175.92 2bw2 s GLU 16 N 1.59 3.97 -0.44 1.70 2.02 -0.15 -0.89 118.70 126.51 2bw2 s GLU 16 Ca 0.07 -0.33 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 2bw2 s GLU 16 Cb -0.15 -3.39 0.06 0.00 0.10 0.00 0.00 34.13 30.75 2bw2 s GLU 16 CO 0.08 0.09 0.33 0.15 0.02 0.00 0.00 175.26 175.93 2bw2 s LYS 17 N 0.91 2.87 -0.54 1.61 -0.14 -0.45 -0.01 119.74 123.99 2bw2 s LYS 17 Ca 0.06 -1.31 -0.22 0.00 -1.36 0.00 0.00 55.97 53.13 2bw2 s LYS 17 Cb -0.13 -3.99 0.05 0.00 -1.68 0.00 0.00 37.83 32.08 2bw2 s LYS 17 CO 0.03 -0.95 0.82 0.08 -0.76 0.00 0.00 175.35 174.58 2bw2 s VAL 18 N 1.58 4.57 0.34 3.17 1.01 -0.84 -3.12 120.40 127.11 2bw2 s VAL 18 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 2bw2 s VAL 18 Cb -0.23 -4.46 -0.09 0.00 0.00 0.00 0.00 36.38 31.60 2bw2 s VAL 18 CO 0.06 -1.01 0.77 -0.31 0.00 0.00 0.00 175.10 174.61 2bw2 s TYR 19 N 3.46 3.38 -1.18 5.22 1.51 -0.30 -3.52 117.35 125.92 2bw2 s TYR 19 Ca 0.24 1.29 0.26 0.00 -1.01 0.00 0.00 57.07 57.85 2bw2 s TYR 19 Cb -0.15 -2.59 1.17 0.00 -0.11 0.00 0.00 41.96 40.28 2bw2 s TYR 19 CO 0.16 0.07 1.84 1.28 -1.11 0.00 0.00 175.55 177.79 2bw2 n LEU 20 N -0.36 0.00 -0.15 -1.29 4.77 -1.14 -1.78 117.00 117.05 2bw2 n LEU 20 Ca 0.04 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 2bw2 n LEU 20 Cb 0.53 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2bw2 n LEU 20 CO 0.41 -0.06 0.64 -0.78 -1.33 0.00 0.00 177.39 176.27 2bw2 h ASP 21 N 0.00 1.03 0.00 -1.43 3.58 -1.67 -3.46 116.42 114.46 2bw2 h ASP 21 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2bw2 h ASP 21 Cb 0.36 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2bw2 h ASP 21 CO 0.00 1.21 0.00 0.61 -2.88 0.00 0.00 179.24 178.18 2bw2 n GLY 22 N -0.05 1.15 3.86 -0.78 0.00 -0.73 -4.71 105.19 103.93 2bw2 n GLY 22 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.38 6.44 -0.24 1.61 2.15 -1.26 -4.38 116.67 119.62 2bw2 s ASP 23 Ca 0.00 1.49 -0.05 0.00 0.43 0.00 0.00 52.55 54.42 2bw2 s ASP 23 Cb 0.00 -2.49 0.12 0.00 -0.30 0.00 0.00 42.92 40.25 2bw2 s ASP 23 CO 0.00 -0.71 0.47 0.54 -0.17 0.00 0.00 175.17 175.30 2bw2 s VAL 24 N -2.87 -0.74 -0.13 1.11 0.11 -1.25 -1.15 120.40 115.48 2bw2 s VAL 24 Ca 0.57 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 59.46 2bw2 s VAL 24 Cb -0.10 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2bw2 s VAL 24 CO 0.41 -0.00 0.65 -0.55 -3.33 0.00 0.00 175.10 172.28 2bw2 s SER 25 N 2.67 6.83 -0.32 3.54 0.15 -1.18 -4.84 113.70 120.56 2bw2 s SER 25 Ca 0.05 1.00 -0.10 0.00 0.70 0.00 0.00 55.95 57.60 2bw2 s SER 25 Cb -0.13 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2bw2 s SER 25 CO -0.16 -0.17 0.17 -0.63 1.20 0.00 0.00 173.24 173.65 2bw2 s ILE 26 N 1.22 4.67 0.11 6.45 -1.09 -1.26 -1.33 121.20 129.97 2bw2 s ILE 26 Ca 0.33 -0.44 0.08 0.00 -2.23 0.00 0.00 60.65 58.38 2bw2 s ILE 26 Cb -0.17 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2bw2 s ILE 26 CO 0.14 0.03 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.06 2bw2 s GLU 27 N 1.62 2.04 -0.24 2.79 2.56 -0.07 -4.94 118.70 122.46 2bw2 s GLU 27 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 54.97 53.95 2bw2 s GLU 27 Cb -0.17 -2.26 0.07 0.00 2.00 0.00 0.00 34.13 33.76 2bw2 s GLU 27 CO 0.07 0.50 -0.02 -1.01 -0.56 0.00 0.00 175.26 174.24 2bw2 s HIS 28 N -1.20 2.21 -0.19 5.30 3.76 -1.26 -0.14 115.29 123.78 2bw2 s HIS 28 Ca 0.21 -1.70 -0.05 0.00 -0.15 0.00 0.00 55.06 53.37 2bw2 s HIS 28 Cb -0.11 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 2bw2 s HIS 28 CO 0.13 -0.77 -0.00 0.15 -0.85 0.00 0.00 174.74 173.39 2bw2 s LYS 29 N 1.45 3.64 -0.24 1.40 -0.14 -0.22 -4.93 119.74 120.70 2bw2 s LYS 29 Ca -0.03 -0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 54.04 2bw2 s LYS 29 Cb -0.18 -3.06 0.01 0.00 -1.68 0.00 0.00 37.83 32.92 2bw2 s LYS 29 CO -0.08 0.06 -0.04 -3.38 -0.76 0.00 0.00 175.35 171.15 2bw2 s HIS 30 N 0.88 3.03 0.30 3.18 -3.43 -1.26 -0.17 115.29 117.82 2bw2 s HIS 30 Ca 0.01 -1.24 0.10 0.00 -0.80 0.00 0.00 55.06 53.13 2bw2 s HIS 30 Cb -0.14 -2.10 -0.05 0.00 -1.43 0.00 0.00 32.58 28.85 2bw2 s HIS 30 CO 0.02 -0.64 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.19 2bw2 s GLU 31 N 1.41 1.92 -0.22 -0.38 -1.05 0.46 -4.89 118.70 115.95 2bw2 s GLU 31 Ca 0.03 -1.71 -0.03 0.00 -0.15 0.00 0.00 54.97 53.11 2bw2 s GLU 31 Cb -0.16 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 2bw2 s GLU 31 CO -0.03 0.27 -0.06 0.15 0.95 0.00 0.00 175.26 176.54 2bw2 s LYS 32 N -3.61 3.24 -0.03 -4.83 1.02 -1.24 -0.03 119.74 114.27 2bw2 s LYS 32 Ca 0.32 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2bw2 s LYS 32 Cb -0.03 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2bw2 s LYS 32 CO 0.17 -0.23 -0.17 0.54 -0.92 0.00 0.00 175.35 174.74 2bw2 s VAL 33 N 1.43 1.40 0.10 3.17 0.11 0.23 -4.70 120.40 122.13 2bw2 s VAL 33 Ca 0.05 -0.73 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 2bw2 s VAL 33 Cb -0.14 -1.18 -0.23 0.00 -1.53 0.00 0.00 36.38 33.30 2bw2 s VAL 33 CO -0.05 0.40 1.23 -0.26 -3.33 0.00 0.00 175.10 173.09 2bw2 h PHE 34 N 5.93 0.14 -3.27 1.54 0.04 -1.92 0.20 116.94 119.61 2bw2 h PHE 34 Ca -0.35 -0.10 -0.50 0.00 2.80 0.00 0.00 57.97 59.82 2bw2 h PHE 34 Cb 1.16 -0.01 -0.39 0.00 2.20 0.00 0.00 35.95 38.92 2bw2 h PHE 34 CO 0.41 1.08 -0.77 0.45 -0.60 0.00 0.00 178.31 178.88 2bw2 s SER 35 N -6.82 2.39 0.56 2.17 0.15 -1.26 -4.89 113.70 106.00 2bw2 s SER 35 Ca -0.01 -0.50 0.28 0.00 0.70 0.00 0.00 55.95 56.42 2bw2 s SER 35 Cb 0.09 -0.63 1.49 0.00 -1.71 0.00 0.00 66.02 65.26 2bw2 s SER 35 CO 0.84 -0.23 1.98 0.24 1.20 0.00 0.00 173.24 177.27 2bw2 h MET 36 N 8.24 0.00 -0.72 5.44 2.86 -2.00 -0.41 114.93 128.34 2bw2 h MET 36 Ca -0.20 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2bw2 h MET 36 Cb 1.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 2bw2 h MET 36 CO 0.33 0.00 0.46 0.22 1.06 0.00 0.00 176.91 178.98 2bw2 h ASP 37 N 0.00 0.79 0.01 1.22 3.58 -1.99 0.48 116.42 120.51 2bw2 h ASP 37 Ca 0.21 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.54 2bw2 h ASP 37 Cb 0.97 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2bw2 h ASP 37 CO -0.00 0.56 -0.30 -0.78 -2.88 0.00 0.00 179.24 175.83 2bw2 h ASP 38 N 0.93 0.44 -0.28 2.28 3.58 -1.50 -1.64 116.42 120.24 2bw2 h ASP 38 Ca 0.27 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 2bw2 h ASP 38 Cb -0.06 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2bw2 h ASP 38 CO -0.08 0.73 0.06 0.15 -2.88 0.00 0.00 179.24 177.23 2bw2 h PHE 39 N 0.38 0.47 -0.66 0.28 3.04 -1.22 -0.77 116.94 118.46 2bw2 h PHE 39 Ca 0.05 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 2bw2 h PHE 39 Cb 0.73 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 2bw2 h PHE 39 CO 0.02 0.53 0.21 -1.49 -2.02 0.00 0.00 178.31 175.55 2bw2 h TRP 40 N 0.28 1.04 0.00 0.41 -0.00 -0.44 -1.16 115.95 116.09 2bw2 h TRP 40 Ca 0.09 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.89 58.79 2bw2 h TRP 40 Cb 0.30 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 2bw2 h TRP 40 CO 0.01 0.83 -0.44 0.00 -0.00 0.00 0.00 178.44 178.84 2bw2 h ALA 41 N 1.25 1.04 -0.19 1.49 0.00 -1.21 0.18 119.26 121.83 2bw2 h ALA 41 Ca 0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2bw2 h ALA 41 Cb 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bw2 h ALA 41 CO -0.01 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 2bw2 h ALA 42 N 1.56 0.28 -0.39 0.00 0.00 -0.10 -3.30 119.26 117.31 2bw2 h ALA 42 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bw2 h ALA 42 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2bw2 h ALA 42 CO 0.06 0.19 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2bw2 n TYR 43 N -4.48 1.10 -0.02 0.00 4.02 -0.54 -4.64 117.16 112.61 2bw2 n TYR 43 Ca -0.05 -0.74 0.24 0.00 -0.01 0.00 0.00 57.90 57.33 2bw2 n TYR 43 Cb 0.39 -0.28 0.69 0.00 -0.02 0.00 0.00 39.34 40.12 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 2.53 2.41 0.07 -0.72 0.00 -0.72 -0.39 119.26 122.44 2bw2 h ALA 44 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2bw2 h ALA 44 Cb 1.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2bw2 h ALA 44 CO 0.22 -0.97 -1.12 0.78 0.00 0.00 0.00 179.25 178.16 2bw2 h GLY 45 N 0.00 0.17 -1.71 0.00 0.00 -1.86 -3.46 103.07 96.21 2bw2 h GLY 45 Ca 0.30 -0.43 -0.53 0.00 0.00 0.00 0.00 47.33 46.67 2bw2 h GLY 45 CO -0.00 0.38 0.38 -0.98 0.00 0.00 0.00 176.54 176.31 2bw2 s TRP 46 N -2.70 2.12 -0.34 5.60 0.52 -0.16 -4.97 118.94 119.01 2bw2 s TRP 46 Ca -0.02 1.60 -0.24 0.00 0.02 0.00 0.00 56.10 57.47 2bw2 s TRP 46 Cb 0.08 -3.41 0.01 0.00 -1.15 0.00 0.00 33.47 29.00 2bw2 s TRP 46 CO 0.85 -2.46 0.82 0.99 0.02 0.00 0.00 176.95 177.18 2bw2 s THR 47 N -2.10 4.72 -0.47 2.01 2.01 0.90 -4.87 115.64 117.85 2bw2 s THR 47 Ca 0.72 1.10 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 2bw2 s THR 47 Cb -0.27 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.04 2bw2 s THR 47 CO 0.46 -0.38 1.42 -0.22 -0.69 0.00 0.00 174.62 175.21 2bw2 s LEU 48 N 3.13 3.52 -0.18 4.42 1.98 -1.26 -1.27 118.68 129.02 2bw2 s LEU 48 Ca 0.33 0.64 -0.23 0.00 -2.89 0.00 0.00 54.13 51.99 2bw2 s LEU 48 Cb -0.13 -3.36 -0.22 0.00 0.66 0.00 0.00 46.19 43.13 2bw2 s LEU 48 CO 0.15 -1.54 0.40 0.58 -1.89 0.00 0.00 176.35 174.05 2bw2 h VAL 49 N 6.45 1.15 -2.37 1.68 2.07 -1.20 -3.49 116.25 120.54 2bw2 h VAL 49 Ca -0.27 -2.25 0.03 0.00 0.82 0.00 0.00 66.70 65.03 2bw2 h VAL 49 Cb 1.10 2.59 -0.16 0.00 -1.52 0.00 0.00 31.29 33.30 2bw2 h VAL 49 CO 1.12 0.45 0.35 -1.83 0.02 0.00 0.00 177.57 177.67 2bw2 s GLU 50 N -2.34 0.99 0.00 1.57 -1.05 -1.07 -5.02 118.70 111.78 2bw2 s GLU 50 Ca -0.25 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2bw2 s GLU 50 Cb 0.03 0.46 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2bw2 s GLU 50 CO 0.64 -0.40 -0.01 1.14 0.95 0.00 0.00 175.26 177.58 2bw2 s GLN 51 N -2.68 0.10 -0.24 -4.83 -2.07 -1.26 -0.09 119.66 108.59 2bw2 s GLN 51 Ca -0.00 -0.13 -0.03 0.00 -1.82 0.00 0.00 55.36 53.38 2bw2 s GLN 51 Cb -0.01 -0.03 0.11 0.00 -1.09 0.00 0.00 33.01 32.00 2bw2 s GLN 51 CO -0.05 0.00 0.24 -1.59 -1.32 0.00 0.00 175.29 172.57 2bw2 s LYS 52 N -0.27 0.24 0.09 9.60 -2.85 0.71 -5.00 119.74 122.25 2bw2 s LYS 52 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2bw2 s LYS 52 Cb -0.02 -1.02 0.00 0.00 -2.06 0.00 0.00 37.83 34.73 2bw2 s LYS 52 CO -0.00 -0.82 0.00 1.17 0.10 0.00 0.00 175.35 175.80 2bw2 n LYS 53 N 5.31 0.00 0.00 1.78 0.00 -1.26 -0.39 118.16 123.60 2bw2 n LYS 53 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.27 2bw2 n LYS 53 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 2bw2 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 54 N 0.00 0.61 3.29 3.14 0.00 -1.26 -4.94 105.19 106.02 2bw2 n GLY 54 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 2.71 -0.07 1.61 5.04 0.47 0.00 117.35 126.62 2bw2 s TYR 55 Ca 0.00 -0.90 0.04 0.00 -2.44 0.00 0.00 57.07 53.76 2bw2 s TYR 55 Cb 0.00 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2bw2 s TYR 55 CO 0.00 -0.36 -0.18 0.08 -1.34 0.00 0.00 175.55 173.75 2bw2 s VAL 56 N 0.45 1.58 -0.31 3.14 1.01 0.23 -0.21 120.40 126.30 2bw2 s VAL 56 Ca -0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2bw2 s VAL 56 Cb -0.17 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2bw2 s VAL 56 CO 0.06 0.45 0.11 -0.22 0.00 0.00 0.00 175.10 175.50 2bw2 s LEU 57 N 0.37 4.02 0.25 3.92 2.96 0.88 -0.83 118.68 130.25 2bw2 s LEU 57 Ca -0.13 -0.72 0.12 0.00 -0.22 0.00 0.00 54.13 53.17 2bw2 s LEU 57 Cb -0.16 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2bw2 s LEU 57 CO 0.05 -0.22 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.29 2bw2 s PHE 58 N 1.52 2.26 0.01 5.38 0.08 0.14 -0.58 117.98 126.78 2bw2 s PHE 58 Ca 0.03 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2bw2 s PHE 58 Cb -0.17 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2bw2 s PHE 58 CO 0.04 0.62 -0.06 -0.98 -0.10 0.00 0.00 175.22 174.74 2bw2 s ARG 59 N -3.22 0.43 -0.07 0.44 1.70 -0.39 -0.97 118.95 116.86 2bw2 s ARG 59 Ca 0.26 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 55.15 2bw2 s ARG 59 Cb -0.06 -0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.01 2bw2 s ARG 59 CO 0.13 0.08 -0.01 0.21 -1.08 0.00 0.00 175.30 174.64 2bw2 s LYS 60 N -0.59 0.68 0.01 3.89 2.47 0.98 -0.07 119.74 127.12 2bw2 s LYS 60 Ca -0.02 0.07 0.08 0.00 -1.56 0.00 0.00 55.97 54.54 2bw2 s LYS 60 Cb -0.05 -1.00 -0.02 0.00 -1.46 0.00 0.00 37.83 35.31 2bw2 s LYS 60 CO -0.00 -0.28 -0.24 1.14 0.16 0.00 0.00 175.35 176.13 2bw2 s GLN 61 N 1.86 1.76 0.23 4.03 -2.07 -1.26 -1.99 119.66 122.22 2bw2 s GLN 61 Ca 0.04 -0.94 0.11 0.00 -1.82 0.00 0.00 55.36 52.75 2bw2 s GLN 61 Cb -0.12 -1.81 -0.05 0.00 -1.09 0.00 0.00 33.01 29.94 2bw2 s GLN 61 CO -0.05 0.48 -0.21 -1.64 -1.32 0.00 0.00 175.29 172.56 2bw2 s MET 62 N -0.88 1.65 -1.32 9.60 -1.94 -1.23 -4.94 119.30 120.23 2bw2 s MET 62 Ca 0.09 -1.59 -0.11 0.00 -1.71 0.00 0.00 55.69 52.37 2bw2 s MET 62 Cb -0.09 -1.85 0.13 0.00 2.01 0.00 0.00 34.83 35.03 2bw2 s MET 62 CO 0.01 0.37 1.95 -3.47 -0.01 0.00 0.00 175.02 173.87 2bw2 n ASP 63 N -0.12 4.78 -3.55 3.03 2.03 -1.26 -4.52 116.55 116.93 2bw2 n ASP 63 Ca -0.09 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.07 2bw2 n ASP 63 Cb 0.58 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.39 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2bw2 s ASP 64 N 1.62 -0.42 -0.01 1.67 2.15 -1.26 -5.08 116.67 115.34 2bw2 s ASP 64 Ca 0.42 0.38 -0.04 0.00 0.43 0.00 0.00 52.55 53.73 2bw2 s ASP 64 Cb 0.10 0.36 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2bw2 s ASP 64 CO -0.02 -0.45 0.49 0.16 -0.17 0.00 0.00 175.17 175.19 2bw2 h ILE 65 N 2.52 0.00 0.00 4.11 3.07 -1.89 -3.03 117.51 122.30 2bw2 h ILE 65 Ca -0.21 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.06 2bw2 h ILE 65 Cb 1.17 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 2bw2 h ILE 65 CO 0.32 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.88 2bw2 n SER 66 N -2.78 0.00 0.17 2.16 3.41 -1.26 -2.19 113.62 113.13 2bw2 n SER 66 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.63 2bw2 n SER 66 Cb 0.06 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 2bw2 n SER 66 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2bw2 h PRO 67 N 0.00 0.00 0.03 4.33 0.11 -2.01 -3.30 132.00 131.15 2bw2 h PRO 67 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 2bw2 h PRO 67 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2bw2 h PRO 67 CO 0.00 0.44 -1.28 1.25 -0.21 0.00 0.00 178.00 178.21 2bw2 h LEU 68 N 0.00 0.08 -1.45 2.35 7.12 -2.00 -3.17 115.31 118.24 2bw2 h LEU 68 Ca -0.00 -0.11 -0.04 0.00 0.13 0.00 0.00 57.88 57.86 2bw2 h LEU 68 Cb 0.98 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 2bw2 h LEU 68 CO 0.06 1.09 -0.17 0.77 -0.13 0.00 0.00 178.44 180.05 2bw2 h SER 69 N 0.01 0.00 1.68 1.25 4.64 -1.92 0.29 113.55 119.50 2bw2 h SER 69 Ca -0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2bw2 h SER 69 Cb 1.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2bw2 h SER 69 CO 0.13 0.17 -0.15 0.11 -0.87 0.00 0.00 176.83 176.22 2bw2 h LYS 70 N 0.00 0.00 0.04 4.77 1.57 -1.66 -2.44 116.57 118.86 2bw2 h LYS 70 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2bw2 h LYS 70 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 2bw2 h LYS 70 CO 0.02 0.15 -2.02 1.33 -0.57 0.00 0.00 179.45 178.36 2bw2 n VAL 71 N -3.16 1.61 0.00 0.50 0.24 -0.53 -4.86 118.33 112.14 2bw2 n VAL 71 Ca 0.03 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2bw2 n VAL 71 Cb 0.55 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 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 -3.82 0.00 -2.90 -1.34 2.85 0.90 -5.06 115.26 105.90 2bw2 n ASN 72 Ca -0.39 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.07 2bw2 n ASN 72 Cb 0.91 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.93 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bw2 n GLY 73 N 2.95 -2.66 2.82 8.20 0.00 -0.92 -4.40 105.19 111.19 2bw2 n GLY 73 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.43 1.05 -0.28 1.61 1.51 -1.23 -3.54 117.35 115.05 2bw2 s TYR 74 Ca 0.01 -0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 2bw2 s TYR 74 Cb -0.00 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 2bw2 s TYR 74 CO 0.51 -0.45 0.67 0.42 -1.11 0.00 0.00 175.55 175.59 2bw2 s ILE 75 N 1.85 4.93 -0.29 2.71 1.01 -1.25 -1.07 121.20 129.08 2bw2 s ILE 75 Ca 0.04 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 2bw2 s ILE 75 Cb -0.13 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.37 2bw2 s ILE 75 CO -0.07 -0.08 0.00 -0.83 0.00 0.00 0.00 174.94 173.97 2bw2 s GLY 76 N 1.54 1.73 -0.15 6.18 0.00 0.71 -3.01 107.32 114.32 2bw2 s GLY 76 Ca 0.28 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 2bw2 s GLY 76 CO 0.10 0.65 -0.02 0.14 0.00 0.00 0.00 173.10 173.97 2bw2 s VAL 77 N 1.32 4.06 0.50 1.40 1.01 -0.86 -2.26 120.40 125.56 2bw2 s VAL 77 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2bw2 s VAL 77 Cb -0.19 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.45 2bw2 s VAL 77 CO -0.01 0.50 0.68 -0.44 0.00 0.00 0.00 175.10 175.83 2bw2 s SER 78 N 0.23 5.39 0.35 3.32 0.01 -0.94 -3.98 113.70 118.08 2bw2 s SER 78 Ca -0.01 -0.39 0.13 0.00 1.31 0.00 0.00 55.95 56.99 2bw2 s SER 78 Cb -0.14 -0.51 0.98 0.00 0.21 0.00 0.00 66.02 66.57 2bw2 s SER 78 CO 0.02 -1.02 1.74 0.44 0.41 0.00 0.00 173.24 174.83 2bw2 h ASP 79 N 0.35 0.58 -0.23 2.44 5.19 -1.97 0.50 116.42 123.28 2bw2 h ASP 79 Ca -0.39 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 2bw2 h ASP 79 Cb 1.28 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 2bw2 h ASP 79 CO 0.46 0.08 0.01 0.59 -3.12 0.00 0.00 179.24 177.26 2bw2 n ASN 80 N -4.80 2.85 -1.86 6.45 3.02 -1.26 -4.12 115.26 115.54 2bw2 n ASN 80 Ca 0.27 -2.37 -0.12 0.00 -0.03 0.00 0.00 54.58 52.32 2bw2 n ASN 80 Cb 0.82 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.22 0.09 3.61 7.41 0.00 0.17 -2.96 105.19 113.73 2bw2 n GLY 81 Ca 0.11 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.98 4.04 -0.04 1.61 1.01 -1.04 -1.13 120.40 121.87 2bw2 s VAL 82 Ca 0.21 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 2bw2 s VAL 82 Cb -0.09 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 32.00 2bw2 s VAL 82 CO 0.26 -0.79 1.77 -0.38 0.00 0.00 0.00 175.10 175.96 2bw2 n ILE 83 N 6.87 1.86 -2.71 2.22 2.08 0.36 -2.20 119.36 127.84 2bw2 n ILE 83 Ca 0.15 -0.52 -0.22 0.00 0.56 0.00 0.00 62.75 62.72 2bw2 n ILE 83 Cb 0.48 -1.35 0.03 0.00 -0.75 0.00 0.00 39.64 38.05 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 1.53 5.40 0.11 4.38 0.01 -0.96 -3.77 113.70 120.40 2bw2 s SER 84 Ca 0.04 0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.45 2bw2 s SER 84 Cb 0.03 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 2bw2 s SER 84 CO 0.00 -1.05 -0.09 0.42 0.41 0.00 0.00 173.24 172.93 2bw2 s THR 85 N -2.73 3.41 0.31 1.44 -4.23 -1.26 -0.21 115.64 112.37 2bw2 s THR 85 Ca 0.55 -1.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 2bw2 s THR 85 Cb -0.10 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2bw2 s THR 85 CO 0.38 0.09 0.21 -0.36 -0.54 0.00 0.00 174.62 174.41 2bw2 s PHE 86 N -1.26 1.61 -0.37 3.99 0.40 -0.23 -1.85 117.98 120.27 2bw2 s PHE 86 Ca 0.22 -1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 55.02 2bw2 s PHE 86 Cb -0.11 -0.75 0.10 0.00 0.51 0.00 0.00 43.02 42.77 2bw2 s PHE 86 CO 0.14 -0.71 0.12 -1.01 0.70 0.00 0.00 175.22 174.46 2bw2 s HIS 87 N -3.60 3.57 0.00 0.36 3.76 -1.26 -3.48 115.29 114.64 2bw2 s HIS 87 Ca 0.38 -2.48 0.00 0.00 -0.15 0.00 0.00 55.06 52.81 2bw2 s HIS 87 Cb 0.04 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2bw2 s HIS 87 CO 0.22 -0.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 2bw2 n GLY 88 N 4.50 -2.39 3.64 -2.22 0.00 -1.26 -4.88 105.19 102.58 2bw2 n GLY 88 Ca -0.03 -2.12 -0.43 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 -0.07 2.58 -2.22 1.61 5.12 -1.26 -4.83 116.66 117.59 2bw2 n ARG 89 Ca 0.00 0.89 -0.43 0.00 -1.93 0.00 0.00 57.85 56.38 2bw2 n ARG 89 Cb 0.00 -3.06 -0.02 0.00 -1.16 0.00 0.00 32.46 28.22 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 5.00 3.52 0.34 5.56 0.04 -1.26 -4.88 135.00 143.32 2bw2 s PRO 90 Ca 0.93 1.15 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2bw2 s PRO 90 Cb -0.42 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 29.98 2bw2 s PRO 90 CO 0.41 -1.63 -0.07 -1.83 0.04 0.00 0.00 177.00 173.92 2bw2 s GLU 91 N 5.13 1.89 0.43 4.56 -1.05 -1.26 -4.84 118.70 123.56 2bw2 s GLU 91 Ca 0.68 -1.86 0.30 0.00 -0.15 0.00 0.00 54.97 53.94 2bw2 s GLU 91 Cb -0.17 -1.79 1.39 0.00 -0.44 0.00 0.00 34.13 33.12 2bw2 s GLU 91 CO 0.33 0.16 1.90 -1.00 0.95 0.00 0.00 175.26 177.60 2bw2 h PRO 92 N 1.98 0.00 -0.51 -4.83 0.13 -2.01 -0.16 132.00 126.60 2bw2 h PRO 92 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2bw2 n ALA 93 N -1.93 2.42 -1.72 -0.56 0.00 -1.26 -4.92 120.51 112.54 2bw2 n ALA 93 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 2bw2 n ALA 93 Cb 0.19 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 18.77 2bw2 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bw2 n SER 94 N 1.21 0.22 -4.19 0.00 2.88 -0.07 -5.05 113.62 108.62 2bw2 n SER 94 Ca 0.19 -1.31 -0.36 0.00 -1.33 0.00 0.00 58.87 56.06 2bw2 n SER 94 Cb 0.51 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.43 2bw2 n SER 94 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2bw2 s GLU 95 N -4.10 2.37 0.21 -1.46 2.02 -1.26 -4.97 118.70 111.51 2bw2 s GLU 95 Ca 0.33 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.60 2bw2 s GLU 95 Cb -0.01 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 2bw2 s GLU 95 CO 0.23 -0.78 1.29 -2.14 0.02 0.00 0.00 175.26 173.87 2bw2 s PRO 96 N 1.27 4.41 0.01 0.39 0.02 -1.26 -4.24 135.00 135.59 2bw2 s PRO 96 Ca 0.00 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.07 2bw2 s PRO 96 Cb -0.21 -3.19 -0.26 0.00 0.02 0.00 0.00 34.50 30.87 2bw2 s PRO 96 CO -0.01 -0.21 0.86 0.82 -0.33 0.00 0.00 177.00 178.13 2bw2 h ILE 97 N 3.67 1.16 -1.37 2.83 2.04 -1.72 -3.49 117.51 120.62 2bw2 h ILE 97 Ca -0.45 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 62.55 2bw2 h ILE 97 Cb 1.22 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2bw2 h ILE 97 CO 0.76 0.78 0.00 0.00 0.00 0.00 0.00 178.15 179.69 2bw2 n GLN 98 N -3.36 0.00 -3.52 2.37 0.00 -1.26 -4.85 117.38 106.76 2bw2 n GLN 98 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.70 2bw2 n GLN 98 Cb 1.03 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 31.15 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 -0.32 0.92 -0.03 2.61 0.01 -1.26 -4.39 113.70 111.24 2bw2 s SER 99 Ca 0.00 0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 2bw2 s SER 99 Cb 0.00 0.58 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 2bw2 s SER 99 CO 0.00 -0.30 0.64 -0.26 0.41 0.00 0.00 173.24 173.73 2bw2 h PHE 100 N 8.29 -0.48 -2.95 2.43 0.04 -1.95 -3.49 116.94 118.83 2bw2 h PHE 100 Ca -0.17 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.63 2bw2 h PHE 100 Cb 1.14 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 2bw2 h PHE 100 CO 0.20 -0.30 0.28 0.12 -0.60 0.00 0.00 178.31 178.01 2bw2 s PHE 101 N -3.28 -0.02 -0.01 -0.55 5.36 -1.26 -5.00 117.98 113.22 2bw2 s PHE 101 Ca -0.08 -0.54 0.04 0.00 -0.96 0.00 0.00 56.93 55.40 2bw2 s PHE 101 Cb 0.01 0.77 -0.01 0.00 -0.34 0.00 0.00 43.02 43.45 2bw2 s PHE 101 CO 0.23 -1.38 -0.13 -0.65 -1.46 0.00 0.00 175.22 171.84 2bw2 s GLN 102 N -3.02 1.06 0.19 10.12 -0.21 -1.24 -0.49 119.66 126.08 2bw2 s GLN 102 Ca 0.14 -0.45 -0.00 0.00 0.02 0.00 0.00 55.36 55.06 2bw2 s GLN 102 Cb -0.05 -1.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 2bw2 s GLN 102 CO 0.09 0.26 0.09 0.96 -2.12 0.00 0.00 175.29 174.58 2bw2 s ILE 103 N -0.25 0.21 -0.45 1.08 -4.36 -0.29 -4.40 121.20 112.74 2bw2 s ILE 103 Ca 0.04 -1.98 -0.26 0.00 -0.26 0.00 0.00 60.65 58.19 2bw2 s ILE 103 Cb -0.05 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.29 2bw2 s ILE 103 CO -0.00 -0.15 0.97 -1.81 0.24 0.00 0.00 174.94 174.19 2bw2 s ASP 104 N -3.17 6.56 0.34 4.36 1.01 0.18 -2.02 116.67 123.93 2bw2 s ASP 104 Ca 0.34 0.28 0.11 0.00 0.71 0.00 0.00 52.55 53.99 2bw2 s ASP 104 Cb 0.07 -2.48 0.60 0.00 1.01 0.00 0.00 42.92 42.12 2bw2 s ASP 104 CO 0.09 -1.06 1.76 -0.07 0.21 0.00 0.00 175.17 176.10 2bw2 h LEU 105 N 10.62 0.06 -2.29 1.23 3.38 -1.88 -1.08 115.31 125.36 2bw2 h LEU 105 Ca -0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2bw2 h LEU 105 Cb 1.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bw2 h LEU 105 CO 1.04 0.48 -0.05 1.05 0.09 0.00 0.00 178.44 181.05 2bw2 h GLU 106 N 0.05 0.00 0.00 1.13 4.11 -1.89 -0.02 114.58 117.96 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 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2bw2 h GLU 106 CO 0.06 0.05 -0.89 2.89 0.07 0.00 0.00 179.01 181.18 2bw2 n ARG 107 N -3.64 0.41 -1.28 1.06 1.85 -0.46 -4.91 116.66 109.69 2bw2 n ARG 107 Ca -0.02 0.07 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 2bw2 n ARG 107 Cb 0.15 -1.71 0.11 0.00 -1.05 0.00 0.00 32.46 29.96 2bw2 n ARG 107 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bw2 n LEU 108 N -2.28 4.89 -4.53 2.89 4.32 -0.02 -4.92 117.00 117.34 2bw2 n LEU 108 Ca 0.02 0.66 -0.42 0.00 -0.02 0.00 0.00 56.01 56.24 2bw2 n LEU 108 Cb 0.48 -1.52 -0.03 0.00 -1.62 0.00 0.00 43.42 40.73 2bw2 n LEU 108 CO 0.39 -1.50 1.33 -1.61 -1.22 0.00 0.00 177.39 174.79 2bw2 s GLU 109 N -3.90 3.54 0.00 3.23 2.02 -1.26 -4.91 118.70 117.41 2bw2 s GLU 109 Ca 0.76 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2bw2 s GLU 109 Cb -0.32 -5.13 0.00 0.00 0.10 0.00 0.00 34.13 28.78 2bw2 s GLU 109 CO 0.48 -2.11 0.00 0.45 0.02 0.00 0.00 175.26 174.10 2bw2 n SER 110 N 8.45 0.00 0.26 -0.19 2.88 -1.26 -0.97 113.62 122.79 2bw2 n SER 110 Ca 0.27 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.98 2bw2 n SER 110 Cb 0.50 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.56 2bw2 n SER 110 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2bw2 h HIS 111 N 0.00 0.00 0.03 0.66 2.07 -1.99 -3.12 115.15 112.81 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 0.00 -0.30 0.52 -3.07 0.00 0.00 177.93 175.08 2bw2 h MET 112 N 0.00 -0.45 -0.49 5.12 2.07 -1.43 0.16 114.93 119.91 2bw2 h MET 112 Ca 0.00 0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.62 2bw2 h MET 112 Cb 0.58 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.40 2bw2 h MET 112 CO 0.00 -0.30 0.16 -0.56 1.07 0.00 0.00 176.91 177.27 2bw2 h GLN 113 N -0.47 0.76 -0.63 1.72 3.07 -1.76 -2.52 115.11 115.27 2bw2 h GLN 113 Ca 0.05 -0.16 0.05 0.00 0.09 0.00 0.00 58.65 58.68 2bw2 h GLN 113 Cb 0.54 -0.11 -0.04 0.00 0.08 0.00 0.00 27.48 27.96 2bw2 h GLN 113 CO -0.24 0.71 0.42 0.87 0.09 0.00 0.00 178.83 180.68 2bw2 h LYS 114 N 0.65 0.66 -0.08 0.06 1.79 -1.42 0.19 116.57 118.42 2bw2 h LYS 114 Ca 0.16 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.43 2bw2 h LYS 114 Cb 0.26 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2bw2 h LYS 114 CO -0.01 0.44 -0.63 -0.91 -1.08 0.00 0.00 179.45 177.26 2bw2 h ASN 115 N 0.68 0.35 0.92 0.86 4.21 -0.37 -2.30 115.58 119.93 2bw2 h ASN 115 Ca 0.26 -0.21 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 2bw2 h ASN 115 Cb 0.18 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 2bw2 h ASN 115 CO -0.08 0.89 -0.64 -0.07 -1.29 0.00 0.00 177.43 176.24 2bw2 h LEU 116 N 0.22 0.00 -0.93 1.61 3.38 -0.75 -1.85 115.31 117.00 2bw2 h LEU 116 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2bw2 h LEU 116 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2bw2 h LEU 116 CO 0.10 0.64 -0.11 -0.07 0.09 0.00 0.00 178.44 179.09 2bw2 h LEU 117 N 0.00 0.65 -0.55 1.67 3.38 -0.37 -2.16 115.31 117.94 2bw2 h LEU 117 Ca -0.01 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 2bw2 h LEU 117 Cb 1.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 117 CO 0.08 0.79 -0.64 0.11 0.09 0.00 0.00 178.44 178.88 2bw2 h LYS 118 N 0.60 0.34 0.00 1.13 1.57 -1.27 -3.35 116.57 115.59 2bw2 h LYS 118 Ca 0.11 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2bw2 h LYS 118 Cb 0.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2bw2 h LYS 118 CO 0.03 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 2bw2 n GLY 119 N 0.36 -0.86 3.69 3.86 0.00 -0.71 -4.05 105.19 107.49 2bw2 n GLY 119 Ca -0.03 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.54 3.45 -1.96 -0.61 -1.09 -1.16 -4.80 121.20 114.49 2bw2 s ILE 120 Ca 0.00 0.86 0.02 0.00 -2.23 0.00 0.00 60.65 59.30 2bw2 s ILE 120 Cb 0.00 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.39 2bw2 s ILE 120 CO 0.00 -0.00 1.03 -0.81 -1.23 0.00 0.00 174.94 173.93 2bw2 n PRO 121 N 5.49 1.16 -3.64 2.79 -0.04 -1.26 -3.54 135.00 135.94 2bw2 n PRO 121 Ca 0.14 -0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 2bw2 n PRO 121 Cb 0.42 -1.07 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 2bw2 n PRO 121 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2bw2 s PHE 122 N -1.89 -0.59 -0.19 0.54 -0.71 -1.23 -4.92 117.98 109.00 2bw2 s PHE 122 Ca 0.04 1.23 -0.15 0.00 -1.04 0.00 0.00 56.93 57.01 2bw2 s PHE 122 Cb 0.02 0.37 0.06 0.00 -1.21 0.00 0.00 43.02 42.26 2bw2 s PHE 122 CO 0.03 -0.29 0.49 -0.98 -1.34 0.00 0.00 175.22 173.13 2bw2 s ARG 123 N 1.08 0.53 0.44 1.99 1.70 -1.26 -5.00 118.95 118.43 2bw2 s ARG 123 Ca -0.06 0.78 0.07 0.00 -0.47 0.00 0.00 55.73 56.05 2bw2 s ARG 123 Cb -0.04 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2bw2 s ARG 123 CO -0.13 -0.11 0.20 0.99 -1.08 0.00 0.00 175.30 175.17 2bw2 s THR 124 N 0.78 2.13 0.11 4.99 2.01 -1.26 -4.53 115.64 119.86 2bw2 s THR 124 Ca -0.04 -1.69 -0.31 0.00 0.31 0.00 0.00 61.69 59.96 2bw2 s THR 124 Cb -0.05 -2.82 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 2bw2 s THR 124 CO -0.06 0.00 1.59 0.50 -0.69 0.00 0.00 174.62 175.96 2bw2 h LYS 125 N 1.33 -0.63 0.00 4.92 3.11 -1.97 0.01 116.57 123.33 2bw2 h LYS 125 Ca -0.42 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.45 2bw2 h LYS 125 Cb 1.26 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.64 2bw2 h LYS 125 CO 0.69 -0.42 -0.07 0.00 -2.81 0.00 0.00 179.45 176.84 2bw2 h ALA 126 N -0.17 1.70 0.04 5.00 0.00 -1.98 -1.87 119.26 121.98 2bw2 h ALA 126 Ca 0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2bw2 h ALA 126 Cb 0.67 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2bw2 h ALA 126 CO -0.22 0.09 -1.08 0.93 0.00 0.00 0.00 179.25 178.97 2bw2 h GLU 127 N 0.00 0.09 0.25 0.00 5.08 -1.70 -1.96 114.58 116.34 2bw2 h GLU 127 Ca -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2bw2 h GLU 127 Cb 0.14 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2bw2 h GLU 127 CO 0.01 1.07 -0.12 0.35 -1.00 0.00 0.00 179.01 179.32 2bw2 h PHE 128 N 0.02 -0.31 0.00 4.33 3.57 -0.21 -0.06 116.94 124.28 2bw2 h PHE 128 Ca -0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 2bw2 h PHE 128 Cb 1.83 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.67 2bw2 h PHE 128 CO 0.02 -0.10 -0.15 1.05 -2.23 0.00 0.00 178.31 176.90 2bw2 h GLU 129 N -0.46 0.00 -0.03 1.11 4.11 -1.50 0.18 114.58 117.99 2bw2 h GLU 129 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2bw2 h GLU 129 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bw2 h GLU 129 CO 0.06 0.15 -0.02 0.22 0.07 0.00 0.00 179.01 179.48 2bw2 h ASP 130 N 0.00 0.07 -0.10 3.06 3.58 -0.96 0.12 116.42 122.19 2bw2 h ASP 130 Ca -0.00 -0.46 -0.18 0.00 0.42 0.00 0.00 57.03 56.81 2bw2 h ASP 130 Cb 0.44 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2bw2 h ASP 130 CO 0.02 0.52 -0.60 1.62 -2.88 0.00 0.00 179.24 177.92 2bw2 h VAL 131 N -0.37 1.30 -0.53 2.25 3.04 -0.73 -3.02 116.25 118.19 2bw2 h VAL 131 Ca 0.01 -1.82 -0.07 0.00 -1.01 0.00 0.00 66.70 63.80 2bw2 h VAL 131 Cb 0.50 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 2bw2 h VAL 131 CO 0.01 0.58 0.04 0.40 -1.01 0.00 0.00 177.57 177.58 2bw2 h ILE 132 N 0.53 1.25 0.00 3.17 5.03 -0.63 -0.03 117.51 126.83 2bw2 h ILE 132 Ca -0.00 -1.00 -0.05 0.00 -0.12 0.00 0.00 64.86 63.69 2bw2 h ILE 132 Cb 1.18 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 35.77 2bw2 h ILE 132 CO 0.12 0.36 -0.24 1.05 -0.68 0.00 0.00 178.15 178.76 2bw2 h GLU 133 N 0.82 0.00 0.16 2.37 4.11 -0.74 -0.13 114.58 121.16 2bw2 h GLU 133 Ca 0.16 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.30 2bw2 h GLU 133 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2bw2 h GLU 133 CO 0.02 0.24 -1.31 1.25 0.07 0.00 0.00 179.01 179.28 2bw2 h HIS 134 N 0.00 0.60 -0.16 2.06 2.76 -1.22 -1.91 115.15 117.28 2bw2 h HIS 134 Ca -0.00 -0.44 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2bw2 h HIS 134 Cb 0.57 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2bw2 h HIS 134 CO 0.00 1.35 0.09 0.52 -1.30 0.00 0.00 177.93 178.59 2bw2 h MET 135 N 0.09 0.22 0.00 5.26 2.86 -0.42 -2.46 114.93 120.48 2bw2 h MET 135 Ca -0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2bw2 h MET 135 Cb 2.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.63 2bw2 h MET 135 CO 0.22 0.21 0.00 1.57 1.06 0.00 0.00 176.91 179.96 2bw2 h LYS 136 N 0.17 0.00 0.00 1.72 2.10 -1.08 -1.73 116.57 117.75 2bw2 h LYS 136 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2bw2 h LYS 136 Cb 0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2bw2 h LYS 136 CO -0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 179.45 177.31 2bw2 h THR 137 N 0.00 0.54 0.00 0.07 1.03 -0.84 -3.03 112.91 110.68 2bw2 h THR 137 Ca 0.00 -0.61 -0.04 0.00 -0.01 0.00 0.00 66.41 65.75 2bw2 h THR 137 Cb 0.50 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 68.98 2bw2 h THR 137 CO 0.00 0.13 -0.43 1.88 -0.01 0.00 0.00 175.52 177.09 2bw2 h TYR 138 N 0.00 0.00 -1.97 0.00 0.05 -1.33 -3.48 116.97 110.24 2bw2 h TYR 138 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 2bw2 h TYR 138 Cb 0.39 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.06 2bw2 h TYR 138 CO 0.00 0.41 -0.23 -1.13 -1.05 0.00 0.00 178.16 176.15 2bw2 n SER 139 N -4.63 -3.22 0.00 3.88 3.41 -1.00 -5.00 113.62 107.06 2bw2 n SER 139 Ca -0.10 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2bw2 n SER 139 Cb 0.29 -2.99 0.00 0.00 -0.26 0.00 0.00 64.21 61.25 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49