#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 3.23 1.05 0.00 2.12 -1.26 -5.10 118.70 118.74 2bw2 s GLU 2 Ca 0.00 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.34 2bw2 s GLU 2 Cb 0.00 -2.77 0.22 0.00 0.26 0.00 0.00 34.13 31.83 2bw2 s GLU 2 CO 0.00 0.43 1.09 0.14 -0.54 0.00 0.00 175.26 176.39 2bw2 s VAL 3 N -1.99 1.93 -0.18 3.70 -7.23 -1.26 -5.00 120.40 110.37 2bw2 s VAL 3 Ca 0.33 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.34 2bw2 s VAL 3 Cb -0.09 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2bw2 s VAL 3 CO 0.27 0.00 0.40 -1.61 -0.31 0.00 0.00 175.10 173.85 2bw2 s GLU 4 N -5.02 4.23 0.47 4.82 2.02 -1.26 -5.05 118.70 118.91 2bw2 s GLU 4 Ca 0.67 0.24 0.06 0.00 0.02 0.00 0.00 54.97 55.96 2bw2 s GLU 4 Cb -0.17 -3.50 0.06 0.00 0.10 0.00 0.00 34.13 30.62 2bw2 s GLU 4 CO 0.58 0.05 0.53 0.72 0.02 0.00 0.00 175.26 177.15 2bw2 n HIS 5 N 4.15 -1.68 -0.00 1.61 8.25 -1.25 -5.01 115.22 121.28 2bw2 n HIS 5 Ca -0.09 -1.85 -0.18 0.00 -0.26 0.00 0.00 57.72 55.34 2bw2 n HIS 5 Cb 0.51 -0.42 -0.08 0.00 1.12 0.00 0.00 29.99 31.12 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 0.33 1.07 -3.59 4.41 -1.99 -1.97 -3.43 116.97 111.79 2bw2 h TYR 6 Ca -0.25 -0.51 -0.51 0.00 2.00 0.00 0.00 58.73 59.46 2bw2 h TYR 6 Cb 1.05 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 2bw2 h TYR 6 CO 0.00 1.34 0.39 -1.21 -0.00 0.00 0.00 178.16 178.68 2bw2 s GLU 7 N -3.61 4.69 0.00 4.88 2.02 -1.26 -4.95 118.70 120.47 2bw2 s GLU 7 Ca -0.10 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.42 2bw2 s GLU 7 Cb 0.08 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2bw2 s GLU 7 CO 0.91 0.22 0.00 -0.35 0.02 0.00 0.00 175.26 176.06 2bw2 n PRO 8 N 2.47 -0.46 -3.86 0.39 -0.04 -1.26 -4.83 135.00 127.41 2bw2 n PRO 8 Ca 0.02 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 2bw2 n PRO 8 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.85 -0.54 1.53 1.98 0.78 -4.84 118.68 118.44 2bw2 s LEU 9 Ca 0.00 -0.16 -0.28 0.00 -2.89 0.00 0.00 54.13 50.79 2bw2 s LEU 9 Cb 0.00 -0.58 0.03 0.00 0.66 0.00 0.00 46.19 46.29 2bw2 s LEU 9 CO 0.00 -0.16 1.23 -1.10 -1.89 0.00 0.00 176.35 174.43 2bw2 s GLN 10 N 1.79 3.54 -0.22 1.98 -0.21 -1.26 -0.67 119.66 124.61 2bw2 s GLN 10 Ca 0.04 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 55.77 2bw2 s GLN 10 Cb -0.13 -4.00 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 2bw2 s GLN 10 CO -0.06 -1.64 -0.01 0.08 -2.12 0.00 0.00 175.29 171.55 2bw2 s VAL 11 N 5.02 3.70 -0.41 1.09 1.01 0.82 -4.44 120.40 127.19 2bw2 s VAL 11 Ca 0.47 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2bw2 s VAL 11 Cb -0.08 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2bw2 s VAL 11 CO 0.27 0.40 0.36 -2.28 0.00 0.00 0.00 175.10 173.86 2bw2 s HIS 12 N 1.43 3.21 -0.05 5.22 2.46 0.44 -0.92 115.29 127.08 2bw2 s HIS 12 Ca 0.05 -0.44 -0.01 0.00 0.47 0.00 0.00 55.06 55.13 2bw2 s HIS 12 Cb -0.15 -2.73 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 2bw2 s HIS 12 CO -0.01 -0.62 0.01 0.14 -2.47 0.00 0.00 174.74 171.79 2bw2 s VAL 13 N 1.91 4.32 -0.25 0.89 -7.23 0.66 -0.56 120.40 120.13 2bw2 s VAL 13 Ca 0.09 -0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2bw2 s VAL 13 Cb -0.18 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.91 2bw2 s VAL 13 CO 0.12 0.52 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.83 2bw2 s GLN 14 N -1.15 3.06 -0.27 4.82 0.74 -0.16 -1.37 119.66 125.33 2bw2 s GLN 14 Ca 0.16 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.62 2bw2 s GLN 14 Cb -0.11 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 2bw2 s GLN 14 CO 0.06 -0.35 0.18 -0.51 -0.55 0.00 0.00 175.29 174.12 2bw2 s LEU 15 N 1.41 4.04 -0.20 3.68 2.01 0.92 -0.59 118.68 129.95 2bw2 s LEU 15 Ca 0.02 0.02 -0.08 0.00 0.01 0.00 0.00 54.13 54.11 2bw2 s LEU 15 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 2bw2 s LEU 15 CO -0.02 -0.02 0.08 -1.61 1.01 0.00 0.00 176.35 175.79 2bw2 s GLU 16 N 1.57 3.94 -0.37 1.70 2.02 0.41 -0.73 118.70 127.24 2bw2 s GLU 16 Ca 0.07 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2bw2 s GLU 16 Cb -0.15 -3.30 0.11 0.00 0.10 0.00 0.00 34.13 30.88 2bw2 s GLU 16 CO 0.09 0.16 0.12 0.15 0.02 0.00 0.00 175.26 175.80 2bw2 s LYS 17 N 0.71 1.73 -0.69 1.61 1.02 -0.27 0.04 119.74 123.89 2bw2 s LYS 17 Ca 0.04 -1.86 -0.24 0.00 0.02 0.00 0.00 55.97 53.93 2bw2 s LYS 17 Cb -0.13 -3.39 0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2bw2 s LYS 17 CO 0.02 -1.00 1.08 0.08 -0.92 0.00 0.00 175.35 174.60 2bw2 s VAL 18 N 1.00 4.11 0.72 3.17 1.01 -1.19 -1.64 120.40 127.57 2bw2 s VAL 18 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2bw2 s VAL 18 Cb -0.21 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.42 2bw2 s VAL 18 CO -0.06 -1.60 1.10 -0.31 0.00 0.00 0.00 175.10 174.23 2bw2 s TYR 19 N 4.67 3.28 0.36 5.22 1.51 -0.12 -0.64 117.35 131.62 2bw2 s TYR 19 Ca 0.27 1.05 0.05 0.00 -1.01 0.00 0.00 57.07 57.43 2bw2 s TYR 19 Cb -0.14 -3.09 0.72 0.00 -0.11 0.00 0.00 41.96 39.35 2bw2 s TYR 19 CO 0.12 -1.24 1.96 -0.07 -1.11 0.00 0.00 175.55 175.20 2bw2 h LEU 20 N -0.70 0.68 -1.90 -1.29 3.38 -1.39 -1.60 115.31 112.49 2bw2 h LEU 20 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2bw2 h LEU 20 Cb 1.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2bw2 h LEU 20 CO 0.64 0.44 -0.12 -0.78 0.09 0.00 0.00 178.44 178.71 2bw2 h ASP 21 N 0.78 0.00 0.00 -0.43 3.58 -1.77 -3.46 116.42 115.12 2bw2 h ASP 21 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2bw2 h ASP 21 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2bw2 h ASP 21 CO -0.10 0.12 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2bw2 n GLY 22 N -0.96 2.28 3.66 -0.78 0.00 -0.60 -4.67 105.19 104.12 2bw2 n GLY 22 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 6.60 -0.26 1.61 2.15 -1.26 -4.77 116.67 119.01 2bw2 s ASP 23 Ca 0.00 2.38 -0.04 0.00 0.43 0.00 0.00 52.55 55.33 2bw2 s ASP 23 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2bw2 s ASP 23 CO 0.00 -0.96 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.34 2bw2 s VAL 24 N 4.00 3.28 -0.24 1.11 1.01 -1.25 -0.95 120.40 127.37 2bw2 s VAL 24 Ca 0.78 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 2bw2 s VAL 24 Cb -0.37 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2bw2 s VAL 24 CO 0.33 0.16 0.91 -0.44 0.00 0.00 0.00 175.10 176.07 2bw2 s SER 25 N 1.39 6.94 -0.35 3.32 0.01 -0.65 -4.78 113.70 119.59 2bw2 s SER 25 Ca 0.01 1.18 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 2bw2 s SER 25 Cb -0.17 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2bw2 s SER 25 CO -0.02 -0.57 0.24 -0.63 0.41 0.00 0.00 173.24 172.67 2bw2 s ILE 26 N 2.97 5.24 0.06 1.44 -1.09 -1.26 -1.12 121.20 127.44 2bw2 s ILE 26 Ca 0.39 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 2bw2 s ILE 26 Cb -0.15 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2bw2 s ILE 26 CO 0.07 -0.04 -0.11 -0.70 -1.23 0.00 0.00 174.94 172.93 2bw2 s GLU 27 N 1.71 2.24 -0.09 2.79 2.56 0.09 -4.95 118.70 123.04 2bw2 s GLU 27 Ca 0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 54.97 54.10 2bw2 s GLU 27 Cb -0.18 -2.33 0.02 0.00 2.00 0.00 0.00 34.13 33.65 2bw2 s GLU 27 CO 0.10 0.54 -0.05 -1.01 -0.56 0.00 0.00 175.26 174.29 2bw2 s HIS 28 N -1.07 1.13 0.04 5.30 3.76 -1.26 -0.06 115.29 123.14 2bw2 s HIS 28 Ca 0.18 -0.48 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 2bw2 s HIS 28 Cb -0.11 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 2bw2 s HIS 28 CO 0.10 -0.41 -0.21 0.15 -0.85 0.00 0.00 174.74 173.52 2bw2 s LYS 29 N 1.68 1.42 -0.20 1.40 -0.14 -0.47 -4.97 119.74 118.45 2bw2 s LYS 29 Ca 0.03 -0.95 0.01 0.00 -1.36 0.00 0.00 55.97 53.70 2bw2 s LYS 29 Cb -0.13 -1.53 0.03 0.00 -1.68 0.00 0.00 37.83 34.52 2bw2 s LYS 29 CO -0.06 0.39 -0.15 -3.38 -0.76 0.00 0.00 175.35 171.39 2bw2 s HIS 30 N -0.80 2.75 0.14 3.18 -3.43 -1.26 -0.25 115.29 115.62 2bw2 s HIS 30 Ca 0.08 -1.75 0.07 0.00 -0.80 0.00 0.00 55.06 52.66 2bw2 s HIS 30 Cb -0.09 -1.83 -0.04 0.00 -1.43 0.00 0.00 32.58 29.20 2bw2 s HIS 30 CO 0.02 -0.80 -0.16 -1.83 -2.00 0.00 0.00 174.74 169.97 2bw2 s GLU 31 N 1.29 1.14 -0.26 -0.38 -1.05 -0.09 -4.93 118.70 114.42 2bw2 s GLU 31 Ca 0.00 -1.30 -0.08 0.00 -0.15 0.00 0.00 54.97 53.44 2bw2 s GLU 31 Cb -0.15 -1.13 -0.03 0.00 -0.44 0.00 0.00 34.13 32.38 2bw2 s GLU 31 CO -0.10 0.23 0.09 0.15 0.95 0.00 0.00 175.26 176.58 2bw2 s LYS 32 N -2.65 3.63 -0.08 -4.83 1.02 -1.25 -0.12 119.74 115.46 2bw2 s LYS 32 Ca 0.12 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.65 2bw2 s LYS 32 Cb -0.06 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2bw2 s LYS 32 CO 0.05 -0.22 -0.22 0.54 -0.92 0.00 0.00 175.35 174.57 2bw2 s VAL 33 N 1.63 1.89 -0.02 3.17 0.11 0.15 -4.74 120.40 122.59 2bw2 s VAL 33 Ca 0.06 -0.94 -0.23 0.00 -2.93 0.00 0.00 61.98 57.94 2bw2 s VAL 33 Cb -0.15 -1.63 -0.21 0.00 -1.53 0.00 0.00 36.38 32.86 2bw2 s VAL 33 CO 0.05 0.52 1.13 -0.26 -3.33 0.00 0.00 175.10 173.21 2bw2 h PHE 34 N 6.51 0.30 -3.69 1.54 0.04 -1.88 0.22 116.94 119.99 2bw2 h PHE 34 Ca -0.25 -0.14 -0.68 0.00 2.80 0.00 0.00 57.97 59.70 2bw2 h PHE 34 Cb 1.21 -0.04 -0.35 0.00 2.20 0.00 0.00 35.95 38.97 2bw2 h PHE 34 CO 0.46 0.87 -0.67 -1.12 -0.60 0.00 0.00 178.31 177.24 2bw2 s SER 35 N -6.24 4.93 0.50 2.17 0.01 -1.26 -3.96 113.70 109.84 2bw2 s SER 35 Ca -0.15 -1.65 0.27 0.00 1.31 0.00 0.00 55.95 55.73 2bw2 s SER 35 Cb 0.02 -1.71 1.36 0.00 0.21 0.00 0.00 66.02 65.89 2bw2 s SER 35 CO 0.74 -0.35 1.87 0.24 0.41 0.00 0.00 173.24 176.15 2bw2 h MET 36 N 7.92 0.13 -0.09 12.44 2.86 -1.97 0.18 114.93 136.40 2bw2 h MET 36 Ca -0.16 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 2bw2 h MET 36 Cb 1.05 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2bw2 h MET 36 CO 0.57 0.08 -0.21 0.22 1.06 0.00 0.00 176.91 178.63 2bw2 h ASP 37 N 0.13 0.15 0.06 1.22 3.58 -1.98 0.56 116.42 120.14 2bw2 h ASP 37 Ca 0.46 -0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.70 2bw2 h ASP 37 Cb 1.59 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.59 2bw2 h ASP 37 CO -0.07 0.37 -0.60 -0.78 -2.88 0.00 0.00 179.24 175.27 2bw2 h ASP 38 N 0.14 0.61 -0.49 2.28 3.58 -1.07 -1.26 116.42 120.21 2bw2 h ASP 38 Ca 0.03 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 2bw2 h ASP 38 Cb 0.46 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2bw2 h ASP 38 CO 0.03 1.07 0.13 0.15 -2.88 0.00 0.00 179.24 177.74 2bw2 h PHE 39 N 0.40 0.81 -0.43 0.28 3.04 -1.11 0.62 116.94 120.55 2bw2 h PHE 39 Ca -0.00 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.77 2bw2 h PHE 39 Cb 1.16 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 2bw2 h PHE 39 CO 0.05 0.72 -0.08 -1.49 -2.02 0.00 0.00 178.31 175.48 2bw2 h TRP 40 N 0.66 0.82 -0.28 0.41 -0.00 -0.73 -0.79 115.95 116.05 2bw2 h TRP 40 Ca 0.15 -0.14 -0.12 0.00 -0.00 0.00 0.00 58.89 58.79 2bw2 h TRP 40 Cb 0.31 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.24 2bw2 h TRP 40 CO 0.02 0.81 -0.33 0.00 -0.00 0.00 0.00 178.44 178.94 2bw2 h ALA 41 N 1.21 0.91 -0.66 1.49 0.00 -0.96 0.22 119.26 121.47 2bw2 h ALA 41 Ca 0.12 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2bw2 h ALA 41 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2bw2 h ALA 41 CO 0.03 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.04 2bw2 h ALA 42 N 1.13 0.87 -0.27 0.00 0.00 -0.16 -3.05 119.26 117.78 2bw2 h ALA 42 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bw2 h ALA 42 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bw2 h ALA 42 CO 0.07 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.58 2bw2 n TYR 43 N -4.27 0.87 -0.10 0.00 4.02 -0.37 -4.65 117.16 112.65 2bw2 n TYR 43 Ca 0.04 -0.82 0.20 0.00 -0.01 0.00 0.00 57.90 57.31 2bw2 n TYR 43 Cb 0.27 -0.27 0.62 0.00 -0.02 0.00 0.00 39.34 39.94 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 1.83 2.41 -0.01 -0.72 0.00 -0.45 -0.86 119.26 121.46 2bw2 h ALA 44 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2bw2 h ALA 44 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2bw2 h ALA 44 CO 0.19 -0.61 -0.69 0.78 0.00 0.00 0.00 179.25 178.92 2bw2 h GLY 45 N 0.17 0.07 -1.93 0.00 0.00 -1.83 -3.44 103.07 96.10 2bw2 h GLY 45 Ca 0.34 -0.11 -0.51 0.00 0.00 0.00 0.00 47.33 47.06 2bw2 h GLY 45 CO -0.05 0.09 0.41 -0.98 0.00 0.00 0.00 176.54 176.01 2bw2 s TRP 46 N -3.48 2.63 -0.27 5.60 0.52 -0.33 -4.97 118.94 118.64 2bw2 s TRP 46 Ca -0.02 1.55 -0.23 0.00 0.02 0.00 0.00 56.10 57.42 2bw2 s TRP 46 Cb 0.12 -3.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.18 2bw2 s TRP 46 CO 0.78 -1.66 0.74 0.99 0.02 0.00 0.00 176.95 177.82 2bw2 s THR 47 N -1.98 4.88 -0.37 2.01 2.01 0.12 -4.85 115.64 117.46 2bw2 s THR 47 Ca 0.71 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.68 2bw2 s THR 47 Cb -0.23 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.23 2bw2 s THR 47 CO 0.33 -0.10 1.36 -0.22 -0.69 0.00 0.00 174.62 175.30 2bw2 s LEU 48 N 2.75 3.71 -0.18 4.42 1.98 -1.26 -0.84 118.68 129.27 2bw2 s LEU 48 Ca 0.31 0.98 -0.17 0.00 -2.89 0.00 0.00 54.13 52.36 2bw2 s LEU 48 Cb -0.15 -3.54 -0.21 0.00 0.66 0.00 0.00 46.19 42.95 2bw2 s LEU 48 CO 0.10 -1.28 0.25 0.52 -1.89 0.00 0.00 176.35 174.05 2bw2 n VAL 49 N 6.70 1.62 -3.54 1.68 0.31 0.18 -5.00 118.33 120.28 2bw2 n VAL 49 Ca 0.16 -0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 2bw2 n VAL 49 Cb 0.47 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 2bw2 n VAL 49 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 50 N -2.43 1.10 -0.03 5.55 -1.05 -1.07 -5.02 118.70 115.76 2bw2 s GLU 50 Ca -0.27 -0.29 -0.04 0.00 -0.15 0.00 0.00 54.97 54.22 2bw2 s GLU 50 Cb 0.06 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 2bw2 s GLU 50 CO 0.65 -0.42 0.10 1.14 0.95 0.00 0.00 175.26 177.68 2bw2 s GLN 51 N -2.78 0.23 0.10 -4.83 -2.07 -1.26 -0.15 119.66 108.90 2bw2 s GLN 51 Ca -0.03 -0.05 0.03 0.00 -1.82 0.00 0.00 55.36 53.48 2bw2 s GLN 51 Cb -0.00 0.10 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 2bw2 s GLN 51 CO -0.04 -0.04 -0.08 -1.59 -1.32 0.00 0.00 175.29 172.22 2bw2 s LYS 52 N -0.42 0.85 -0.72 9.60 0.00 0.33 -5.01 119.74 124.37 2bw2 s LYS 52 Ca -0.05 -1.28 -0.26 0.00 0.00 0.00 0.00 55.97 54.38 2bw2 s LYS 52 Cb -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 37.83 37.43 2bw2 s LYS 52 CO 0.00 0.02 1.81 0.21 0.00 0.00 0.00 175.35 177.40 2bw2 s LYS 53 N -3.45 2.70 0.00 1.78 2.47 -1.26 -1.43 119.74 120.55 2bw2 s LYS 53 Ca 0.10 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.72 2bw2 s LYS 53 Cb 0.02 -4.60 0.00 0.00 -1.46 0.00 0.00 37.83 31.80 2bw2 s LYS 53 CO -0.03 -2.83 0.00 0.41 0.16 0.00 0.00 175.35 173.06 2bw2 n GLY 54 N 6.04 1.46 2.95 5.54 0.00 -1.26 -5.08 105.19 114.84 2bw2 n GLY 54 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.95 -0.23 -0.03 1.61 6.14 -0.51 -0.42 117.35 121.96 2bw2 s TYR 55 Ca 0.00 0.62 0.03 0.00 0.64 0.00 0.00 57.07 58.37 2bw2 s TYR 55 Cb 0.00 -0.08 -0.00 0.00 0.42 0.00 0.00 41.96 42.30 2bw2 s TYR 55 CO 0.00 -0.22 -0.13 0.08 0.64 0.00 0.00 175.55 175.93 2bw2 s VAL 56 N 1.48 1.04 -0.26 3.14 1.01 0.28 -0.52 120.40 126.57 2bw2 s VAL 56 Ca -0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2bw2 s VAL 56 Cb -0.11 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2bw2 s VAL 56 CO -0.07 0.31 -0.02 -0.22 0.00 0.00 0.00 175.10 175.09 2bw2 s LEU 57 N 0.00 3.37 0.21 3.92 2.96 0.79 -0.99 118.68 128.95 2bw2 s LEU 57 Ca -0.01 -0.84 0.11 0.00 -0.22 0.00 0.00 54.13 53.17 2bw2 s LEU 57 Cb -0.08 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2bw2 s LEU 57 CO 0.01 -0.14 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.36 2bw2 s PHE 58 N 1.37 2.43 0.00 5.38 0.08 0.24 -0.65 117.98 126.83 2bw2 s PHE 58 Ca 0.01 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2bw2 s PHE 58 Cb -0.17 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2bw2 s PHE 58 CO -0.03 0.56 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.60 2bw2 s ARG 59 N -2.96 0.54 -0.24 0.44 1.70 -0.02 -0.45 118.95 117.95 2bw2 s ARG 59 Ca 0.25 -0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 55.17 2bw2 s ARG 59 Cb -0.07 -0.50 0.08 0.00 -0.57 0.00 0.00 34.95 33.89 2bw2 s ARG 59 CO 0.13 0.13 0.08 0.21 -1.08 0.00 0.00 175.30 174.78 2bw2 s LYS 60 N -0.35 0.45 0.03 3.89 2.47 0.11 0.10 119.74 126.44 2bw2 s LYS 60 Ca 0.01 -0.55 -0.20 0.00 -1.56 0.00 0.00 55.97 53.67 2bw2 s LYS 60 Cb -0.04 -1.79 -0.06 0.00 -1.46 0.00 0.00 37.83 34.49 2bw2 s LYS 60 CO -0.00 -0.83 0.57 1.14 0.16 0.00 0.00 175.35 176.39 2bw2 s GLN 61 N 1.91 4.25 0.34 4.03 -2.07 -1.26 -3.19 119.66 123.67 2bw2 s GLN 61 Ca 0.05 0.72 -0.01 0.00 -1.82 0.00 0.00 55.36 54.30 2bw2 s GLN 61 Cb -0.17 -3.29 -0.04 0.00 -1.09 0.00 0.00 33.01 28.42 2bw2 s GLN 61 CO -0.20 0.50 0.55 -1.64 -1.32 0.00 0.00 175.29 173.18 2bw2 s MET 62 N -0.62 3.51 0.20 9.60 -1.94 0.19 -4.85 119.30 125.39 2bw2 s MET 62 Ca 0.30 -0.27 0.12 0.00 -1.71 0.00 0.00 55.69 54.14 2bw2 s MET 62 Cb -0.19 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.95 2bw2 s MET 62 CO 0.18 0.15 1.32 0.22 -0.01 0.00 0.00 175.02 176.88 2bw2 h ASP 63 N 0.90 0.00 -1.98 3.03 3.58 -1.96 -3.36 116.42 116.64 2bw2 h ASP 63 Ca -0.49 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.50 2bw2 h ASP 63 Cb 1.21 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.32 2bw2 h ASP 63 CO 0.62 0.68 -0.01 -0.62 -2.88 0.00 0.00 179.24 177.03 2bw2 s ASP 64 N -6.47 4.93 0.04 2.28 -1.08 -1.26 -4.82 116.67 110.28 2bw2 s ASP 64 Ca 0.02 -0.33 -0.07 0.00 -0.52 0.00 0.00 52.55 51.66 2bw2 s ASP 64 Cb 0.08 -0.32 -0.30 0.00 -1.46 0.00 0.00 42.92 40.92 2bw2 s ASP 64 CO 0.78 -1.42 1.01 0.16 0.52 0.00 0.00 175.17 176.23 2bw2 h ILE 65 N -0.08 1.34 0.00 4.11 3.07 -1.94 -1.56 117.51 122.45 2bw2 h ILE 65 Ca -0.38 -2.90 0.00 0.00 1.55 0.00 0.00 64.86 63.14 2bw2 h ILE 65 Cb 1.28 2.91 0.00 0.00 -0.27 0.00 0.00 36.82 40.74 2bw2 h ILE 65 CO 0.45 0.85 0.00 -0.24 -1.05 0.00 0.00 178.15 178.16 2bw2 n SER 66 N -3.55 0.00 0.10 2.16 2.88 -1.26 -3.03 113.62 110.92 2bw2 n SER 66 Ca -0.13 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.43 2bw2 n SER 66 Cb 1.05 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.89 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 0.30 0.19 -1.46 0.13 -2.00 -2.85 132.00 126.30 2bw2 h PRO 67 Ca 0.00 -0.06 -0.31 0.00 -0.87 0.00 0.00 66.00 64.75 2bw2 h PRO 67 Cb 0.00 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 31.11 2bw2 h PRO 67 CO 0.00 0.40 -1.42 1.25 -0.23 0.00 0.00 178.00 178.00 2bw2 h LEU 68 N 0.28 0.62 -2.71 1.56 7.12 -1.94 -3.25 115.31 117.00 2bw2 h LEU 68 Ca 0.06 -0.70 -0.00 0.00 0.13 0.00 0.00 57.88 57.37 2bw2 h LEU 68 Cb 0.34 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2bw2 h LEU 68 CO 0.02 1.56 -0.00 0.28 -0.13 0.00 0.00 178.44 180.16 2bw2 h SER 69 N 0.11 0.00 0.07 1.25 0.02 -1.72 0.36 113.55 113.63 2bw2 h SER 69 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bw2 h SER 69 Cb 2.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.62 2bw2 h SER 69 CO 0.23 0.00 -0.32 2.29 -1.14 0.00 0.00 176.83 177.89 2bw2 n LYS 70 N -3.45 1.23 -0.09 3.45 2.85 -1.14 -2.10 118.16 118.90 2bw2 n LYS 70 Ca -0.03 -0.91 -0.12 0.00 -1.05 0.00 0.00 58.31 56.19 2bw2 n LYS 70 Cb 0.08 -1.48 -0.10 0.00 -0.65 0.00 0.00 35.03 32.88 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 -0.09 1.12 -2.99 0.58 0.24 0.51 -4.76 118.33 112.95 2bw2 n VAL 71 Ca 0.11 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 2bw2 n VAL 71 Cb 0.43 -1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 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 -2.95 -1.95 -4.23 -1.34 2.85 0.96 -5.06 115.26 103.53 2bw2 n ASN 72 Ca -0.33 -2.85 -0.17 0.00 -0.11 0.00 0.00 54.58 51.12 2bw2 n ASN 72 Cb 0.91 0.79 -0.11 0.00 1.24 0.00 0.00 39.78 42.61 2bw2 n ASN 72 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2bw2 s GLY 73 N -0.36 1.03 -0.12 8.20 0.00 -0.89 -4.27 107.32 110.91 2bw2 s GLY 73 Ca 0.32 -1.28 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 2bw2 s GLY 73 CO -0.15 -1.34 0.33 -0.19 0.00 0.00 0.00 173.10 171.75 2bw2 s TYR 74 N -2.23 -0.37 -0.28 1.90 1.51 -0.37 -4.27 117.35 113.25 2bw2 s TYR 74 Ca 0.08 0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 56.89 2bw2 s TYR 74 Cb -0.04 0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 2bw2 s TYR 74 CO 0.02 -0.18 0.34 0.42 -1.11 0.00 0.00 175.55 175.05 2bw2 s ILE 75 N 0.27 5.19 -0.30 2.71 1.01 -1.24 -0.27 121.20 128.58 2bw2 s ILE 75 Ca -0.01 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.06 2bw2 s ILE 75 Cb -0.03 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2bw2 s ILE 75 CO -0.00 0.14 0.01 -0.83 0.00 0.00 0.00 174.94 174.26 2bw2 s GLY 76 N 1.67 1.75 -0.14 6.18 0.00 0.65 -3.18 107.32 114.25 2bw2 s GLY 76 Ca 0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.14 2bw2 s GLY 76 CO 0.10 0.67 -0.02 0.14 0.00 0.00 0.00 173.10 174.00 2bw2 s VAL 77 N 1.31 4.10 0.42 1.40 1.01 -0.85 -2.25 120.40 125.54 2bw2 s VAL 77 Ca -0.03 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2bw2 s VAL 77 Cb -0.19 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2bw2 s VAL 77 CO -0.01 0.52 0.47 -0.44 0.00 0.00 0.00 175.10 175.65 2bw2 s SER 78 N 0.02 5.36 0.34 3.32 0.01 -0.95 -3.86 113.70 117.94 2bw2 s SER 78 Ca 0.02 -0.58 0.13 0.00 1.31 0.00 0.00 55.95 56.83 2bw2 s SER 78 Cb -0.13 -0.62 1.08 0.00 0.21 0.00 0.00 66.02 66.56 2bw2 s SER 78 CO 0.02 -0.70 1.59 -2.24 0.41 0.00 0.00 173.24 172.32 2bw2 h ASP 79 N 0.83 0.06 -0.04 2.44 2.03 -1.97 0.53 116.42 120.30 2bw2 h ASP 79 Ca -0.41 0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 2bw2 h ASP 79 Cb 1.27 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 40.10 2bw2 h ASP 79 CO 0.51 -0.36 0.00 0.59 -1.03 0.00 0.00 179.24 178.95 2bw2 n ASN 80 N -5.31 0.97 -1.67 4.15 3.02 -1.26 -3.91 115.26 111.25 2bw2 n ASN 80 Ca 0.31 -2.04 -0.12 0.00 -0.03 0.00 0.00 54.58 52.70 2bw2 n ASN 80 Cb 1.04 -0.35 0.01 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.23 -0.03 3.61 7.41 0.00 0.18 -2.88 105.19 113.70 2bw2 n GLY 81 Ca 0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.81 3.91 -0.04 1.61 1.01 -1.00 -1.20 120.40 121.88 2bw2 s VAL 82 Ca 0.12 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 2bw2 s VAL 82 Cb -0.05 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2bw2 s VAL 82 CO 0.15 -0.68 1.81 -0.38 0.00 0.00 0.00 175.10 176.00 2bw2 n ILE 83 N 6.92 1.92 -2.98 2.22 2.08 0.43 -2.23 119.36 127.73 2bw2 n ILE 83 Ca 0.17 -0.56 -0.24 0.00 0.56 0.00 0.00 62.75 62.67 2bw2 n ILE 83 Cb 0.48 -1.37 0.01 0.00 -0.75 0.00 0.00 39.64 38.00 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2bw2 s SER 84 N 1.54 5.97 0.25 4.38 0.01 -0.95 -3.78 113.70 121.12 2bw2 s SER 84 Ca 0.05 0.45 0.09 0.00 1.31 0.00 0.00 55.95 57.84 2bw2 s SER 84 Cb 0.04 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2bw2 s SER 84 CO 0.00 -0.63 -0.02 0.42 0.41 0.00 0.00 173.24 173.43 2bw2 s THR 85 N -2.57 3.42 0.05 1.44 -4.23 -1.26 -0.25 115.64 112.25 2bw2 s THR 85 Ca 0.47 -1.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2bw2 s THR 85 Cb -0.10 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 2bw2 s THR 85 CO 0.39 -0.33 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.74 2bw2 s PHE 86 N -2.22 0.52 -0.34 3.99 0.40 0.63 -0.62 117.98 120.34 2bw2 s PHE 86 Ca 0.30 -0.89 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 2bw2 s PHE 86 Cb -0.07 -0.36 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 2bw2 s PHE 86 CO 0.19 -0.29 0.22 -1.01 0.70 0.00 0.00 175.22 175.04 2bw2 s HIS 87 N -3.15 3.22 0.00 0.36 3.76 -1.26 -1.23 115.29 116.98 2bw2 s HIS 87 Ca 0.01 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2bw2 s HIS 87 Cb 0.02 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.26 2bw2 s HIS 87 CO -0.07 -0.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.82 2bw2 n GLY 88 N 5.07 -0.46 3.72 -2.22 0.00 -1.26 -4.92 105.19 105.12 2bw2 n GLY 88 Ca -0.13 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.50 2.59 -2.37 1.61 5.12 -1.26 -4.58 116.66 117.28 2bw2 n ARG 89 Ca 0.00 0.93 -0.36 0.00 -1.93 0.00 0.00 57.85 56.49 2bw2 n ARG 89 Cb 0.00 -2.72 -0.04 0.00 -1.16 0.00 0.00 32.46 28.54 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 0.20 3.20 0.38 5.56 0.04 -1.26 -4.70 135.00 138.41 2bw2 s PRO 90 Ca 0.70 -0.80 0.07 0.00 0.04 0.00 0.00 61.00 61.00 2bw2 s PRO 90 Cb -0.54 -5.24 -0.07 0.00 0.04 0.00 0.00 34.50 28.69 2bw2 s PRO 90 CO 0.42 -2.65 0.00 -1.83 0.04 0.00 0.00 177.00 172.98 2bw2 s GLU 91 N 5.75 1.86 0.50 4.56 -1.05 -1.26 -4.84 118.70 124.22 2bw2 s GLU 91 Ca 0.55 -2.04 0.33 0.00 -0.15 0.00 0.00 54.97 53.67 2bw2 s GLU 91 Cb -0.03 -1.48 1.56 0.00 -0.44 0.00 0.00 34.13 33.74 2bw2 s GLU 91 CO -0.06 -0.05 2.00 -1.00 0.95 0.00 0.00 175.26 177.09 2bw2 h PRO 92 N 1.89 0.00 -0.15 -4.83 0.13 -2.02 -0.02 132.00 127.01 2bw2 h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.77 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 2bw2 n ALA 93 N -1.98 2.53 -2.56 -0.56 0.00 -1.26 -4.83 120.51 111.85 2bw2 n ALA 93 Ca -0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 2bw2 n ALA 93 Cb 0.19 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.59 4.29 -0.02 0.00 0.15 -0.02 -5.15 113.70 111.36 2bw2 s SER 94 Ca 0.32 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 56.15 2bw2 s SER 94 Cb 0.17 -0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2bw2 s SER 94 CO 0.26 -0.15 -0.16 -1.61 1.20 0.00 0.00 173.24 172.78 2bw2 s GLU 95 N -3.70 1.40 0.25 5.44 2.02 -1.26 -4.72 118.70 118.13 2bw2 s GLU 95 Ca 0.34 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 2bw2 s GLU 95 Cb -0.03 -1.32 -0.10 0.00 0.10 0.00 0.00 34.13 32.78 2bw2 s GLU 95 CO 0.19 0.32 1.36 -2.14 0.02 0.00 0.00 175.26 175.02 2bw2 s PRO 96 N -0.28 4.33 0.19 0.39 0.02 -1.26 -4.64 135.00 133.75 2bw2 s PRO 96 Ca 0.04 2.19 -0.08 0.00 0.02 0.00 0.00 61.00 63.18 2bw2 s PRO 96 Cb -0.07 -3.13 0.10 0.00 0.02 0.00 0.00 34.50 31.42 2bw2 s PRO 96 CO -0.00 -0.31 1.63 0.82 -0.33 0.00 0.00 177.00 178.81 2bw2 h ILE 97 N 3.50 1.27 -1.77 2.83 2.04 -1.25 -3.47 117.51 120.65 2bw2 h ILE 97 Ca -0.46 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2bw2 h ILE 97 Cb 1.22 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2bw2 h ILE 97 CO 0.75 0.43 0.00 0.00 0.00 0.00 0.00 178.15 179.33 2bw2 n GLN 98 N -4.15 0.00 -3.46 2.37 0.00 -1.26 -4.94 117.38 105.93 2bw2 n GLN 98 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.86 2bw2 n GLN 98 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.51 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 -0.32 1.07 -0.03 2.61 1.04 -1.26 -4.31 113.70 112.50 2bw2 s SER 99 Ca 0.00 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 2bw2 s SER 99 Cb 0.00 0.57 -0.11 0.00 0.10 0.00 0.00 66.02 66.58 2bw2 s SER 99 CO 0.00 -0.32 0.77 -0.26 0.98 0.00 0.00 173.24 174.41 2bw2 h PHE 100 N 8.28 -0.45 -3.00 5.02 0.04 -1.95 -3.49 116.94 121.39 2bw2 h PHE 100 Ca -0.18 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.61 2bw2 h PHE 100 Cb 1.15 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 2bw2 h PHE 100 CO 0.14 -0.18 0.26 0.12 -0.60 0.00 0.00 178.31 178.04 2bw2 s PHE 101 N -3.55 -0.02 0.06 -0.55 5.36 -1.26 -5.00 117.98 113.01 2bw2 s PHE 101 Ca -0.10 -0.56 0.05 0.00 -0.96 0.00 0.00 56.93 55.36 2bw2 s PHE 101 Cb 0.01 0.78 -0.03 0.00 -0.34 0.00 0.00 43.02 43.45 2bw2 s PHE 101 CO 0.33 -1.42 -0.13 -0.65 -1.46 0.00 0.00 175.22 171.89 2bw2 s GLN 102 N -3.03 0.83 0.35 10.12 -0.21 -1.24 -0.43 119.66 126.05 2bw2 s GLN 102 Ca 0.13 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.68 2bw2 s GLN 102 Cb -0.06 -0.82 -0.01 0.00 1.00 0.00 0.00 33.01 33.13 2bw2 s GLN 102 CO 0.09 0.19 0.41 0.96 -2.12 0.00 0.00 175.29 174.82 2bw2 s ILE 103 N -1.12 0.00 -0.33 1.08 -4.36 -0.34 -4.51 121.20 111.61 2bw2 s ILE 103 Ca -0.01 -1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 58.48 2bw2 s ILE 103 Cb -0.09 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 2bw2 s ILE 103 CO 0.02 0.00 0.30 -1.81 0.24 0.00 0.00 174.94 173.68 2bw2 s ASP 104 N -3.31 6.12 0.34 4.36 1.11 -1.25 -2.09 116.67 121.95 2bw2 s ASP 104 Ca 0.35 -0.27 0.17 0.00 0.18 0.00 0.00 52.55 52.97 2bw2 s ASP 104 Cb 0.00 -2.17 0.56 0.00 1.07 0.00 0.00 42.92 42.38 2bw2 s ASP 104 CO 0.25 -0.26 1.68 -0.07 1.18 0.00 0.00 175.17 177.94 2bw2 h LEU 105 N 8.60 0.00 -1.91 1.23 3.38 -1.89 -1.73 115.31 122.99 2bw2 h LEU 105 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2bw2 h LEU 105 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2bw2 h LEU 105 CO 0.65 0.44 0.00 1.05 0.09 0.00 0.00 178.44 180.67 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.91 -1.33 114.58 116.58 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 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2bw2 h GLU 106 CO 0.06 0.00 -1.27 2.89 0.07 0.00 0.00 179.01 180.76 2bw2 n ARG 107 N -3.08 0.27 -0.68 1.06 1.85 -0.78 -4.93 116.66 110.36 2bw2 n ARG 107 Ca -0.00 -0.05 -0.29 0.00 -1.00 0.00 0.00 57.85 56.50 2bw2 n ARG 107 Cb 0.24 -1.54 0.25 0.00 -1.05 0.00 0.00 32.46 30.36 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 -3.71 0.63 -0.06 2.89 1.02 -0.50 -5.02 118.68 113.93 2bw2 s LEU 108 Ca 0.02 1.27 -0.15 0.00 0.02 0.00 0.00 54.13 55.29 2bw2 s LEU 108 Cb 0.15 -3.14 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 2bw2 s LEU 108 CO 0.86 -4.20 0.40 -1.61 0.02 0.00 0.00 176.35 171.82 2bw2 s GLU 109 N -4.70 4.09 0.27 1.70 2.02 -1.26 -4.99 118.70 115.83 2bw2 s GLU 109 Ca 0.68 0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.97 2bw2 s GLU 109 Cb -0.21 -3.32 0.50 0.00 0.10 0.00 0.00 34.13 31.20 2bw2 s GLU 109 CO 0.62 0.46 1.59 0.77 0.02 0.00 0.00 175.26 178.72 2bw2 h SER 110 N 5.62 -0.66 0.98 -0.19 0.02 -1.95 -1.11 113.55 116.26 2bw2 h SER 110 Ca -0.47 0.26 -0.17 0.00 -0.84 0.00 0.00 61.79 60.58 2bw2 h SER 110 Cb 1.20 0.50 -0.02 0.00 0.14 0.00 0.00 62.40 64.22 2bw2 h SER 110 CO 0.68 -0.29 -0.79 -0.74 -1.14 0.00 0.00 176.83 174.55 2bw2 h HIS 111 N 0.02 0.00 0.30 3.45 -0.00 -1.98 -2.30 115.15 114.64 2bw2 h HIS 111 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 2bw2 h HIS 111 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 2bw2 h HIS 111 CO -0.60 0.79 -0.29 0.52 -0.00 0.00 0.00 177.93 178.34 2bw2 h MET 112 N 0.00 -0.60 -0.38 5.26 2.07 -1.62 0.43 114.93 120.09 2bw2 h MET 112 Ca -0.01 0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.65 2bw2 h MET 112 Cb 1.49 0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 31.34 2bw2 h MET 112 CO 0.10 -0.40 0.18 -0.56 1.07 0.00 0.00 176.91 177.30 2bw2 h GLN 113 N -0.62 0.54 -0.12 1.72 3.07 -1.45 -2.46 115.11 115.80 2bw2 h GLN 113 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 2bw2 h GLN 113 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2bw2 h GLN 113 CO -0.06 0.48 0.04 0.87 0.09 0.00 0.00 178.83 180.26 2bw2 h LYS 114 N 0.47 0.16 -0.50 0.06 1.57 -1.24 0.16 116.57 117.25 2bw2 h LYS 114 Ca 0.13 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 2bw2 h LYS 114 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2bw2 h LYS 114 CO -0.02 0.15 -0.18 -0.91 -0.57 0.00 0.00 179.45 177.92 2bw2 h ASN 115 N 0.17 1.03 0.28 0.86 2.35 -0.46 -2.72 115.58 117.09 2bw2 h ASN 115 Ca 0.04 -0.37 -0.13 0.00 -0.55 0.00 0.00 56.30 55.29 2bw2 h ASN 115 Cb 0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2bw2 h ASN 115 CO -0.00 1.18 -0.51 -0.07 -1.65 0.00 0.00 177.43 176.37 2bw2 h LEU 116 N 0.88 0.28 -0.38 1.61 3.38 -0.91 -0.54 115.31 119.62 2bw2 h LEU 116 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bw2 h LEU 116 Cb 0.76 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2bw2 h LEU 116 CO 0.06 0.75 0.23 -0.07 0.09 0.00 0.00 178.44 179.50 2bw2 h LEU 117 N 0.20 0.38 0.00 1.67 3.38 -0.55 -2.18 115.31 118.21 2bw2 h LEU 117 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bw2 h LEU 117 Cb 0.97 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2bw2 h LEU 117 CO 0.08 0.27 -0.41 2.29 0.09 0.00 0.00 178.44 180.76 2bw2 n LYS 118 N -4.86 0.05 0.00 1.13 0.00 -1.04 -4.57 118.16 108.87 2bw2 n LYS 118 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2bw2 n LYS 118 Cb 0.05 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 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 1.47 0.06 3.59 2.58 0.00 -0.23 -4.33 105.19 108.34 2bw2 n GLY 119 Ca 0.05 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.93 4.76 -1.16 -0.61 -1.09 -1.19 -4.82 121.20 115.16 2bw2 s ILE 120 Ca 0.00 0.93 0.25 0.00 -2.23 0.00 0.00 60.65 59.60 2bw2 s ILE 120 Cb 0.00 -4.19 0.30 0.00 -1.58 0.00 0.00 42.46 36.99 2bw2 s ILE 120 CO 0.00 -0.38 1.83 -0.81 -1.23 0.00 0.00 174.94 174.35 2bw2 n PRO 121 N 6.34 0.13 -3.87 2.79 -0.04 -1.26 -3.62 135.00 135.48 2bw2 n PRO 121 Ca 0.03 0.06 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 2bw2 n PRO 121 Cb 0.48 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.84 0.35 -0.22 0.54 -0.12 -1.26 -4.65 117.98 109.77 2bw2 s PHE 122 Ca 0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 56.93 56.92 2bw2 s PHE 122 Cb 0.17 -0.50 0.07 0.00 -0.63 0.00 0.00 43.02 42.13 2bw2 s PHE 122 CO 0.44 -0.18 0.54 -0.98 -0.05 0.00 0.00 175.22 174.99 2bw2 s ARG 123 N 1.36 0.54 0.48 1.99 1.70 -1.26 -4.98 118.95 118.78 2bw2 s ARG 123 Ca -0.05 0.98 0.07 0.00 -0.47 0.00 0.00 55.73 56.25 2bw2 s ARG 123 Cb -0.13 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 2bw2 s ARG 123 CO -0.02 -0.15 0.37 0.99 -1.08 0.00 0.00 175.30 175.41 2bw2 s THR 124 N 1.43 2.14 0.29 4.99 2.01 -1.26 -4.41 115.64 120.83 2bw2 s THR 124 Ca -0.09 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.45 2bw2 s THR 124 Cb -0.07 -2.59 0.28 0.00 0.01 0.00 0.00 72.50 70.13 2bw2 s THR 124 CO -0.15 0.00 1.90 0.07 -0.69 0.00 0.00 174.62 175.75 2bw2 h LYS 125 N 0.94 1.05 -0.06 4.92 2.10 -1.98 0.13 116.57 123.66 2bw2 h LYS 125 Ca -0.39 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.03 2bw2 h LYS 125 Cb 1.28 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2bw2 h LYS 125 CO 0.59 0.69 -0.69 0.00 -2.00 0.00 0.00 179.45 178.04 2bw2 h ALA 126 N 1.49 0.71 -0.04 0.07 0.00 -1.98 -1.80 119.26 117.71 2bw2 h ALA 126 Ca 0.41 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2bw2 h ALA 126 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bw2 h ALA 126 CO -0.16 0.77 -0.82 0.93 0.00 0.00 0.00 179.25 179.97 2bw2 h GLU 127 N 0.21 0.36 0.24 0.00 5.08 -1.74 -0.71 114.58 118.01 2bw2 h GLU 127 Ca -0.02 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2bw2 h GLU 127 Cb 1.24 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2bw2 h GLU 127 CO 0.11 1.00 -0.11 0.35 -1.00 0.00 0.00 179.01 179.36 2bw2 h PHE 128 N 0.22 -0.30 0.00 4.33 3.04 -0.82 -1.98 116.94 121.43 2bw2 h PHE 128 Ca -0.05 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 2bw2 h PHE 128 Cb 1.42 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 40.03 2bw2 h PHE 128 CO 0.04 -0.01 -0.14 1.05 -2.02 0.00 0.00 178.31 177.23 2bw2 h GLU 129 N -0.57 0.00 -0.15 1.11 4.11 -1.30 -0.35 114.58 117.43 2bw2 h GLU 129 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2bw2 h GLU 129 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2bw2 h GLU 129 CO 0.05 0.14 -0.02 0.22 0.07 0.00 0.00 179.01 179.48 2bw2 h ASP 130 N 0.00 0.28 -0.20 3.06 1.82 -0.88 0.17 116.42 120.67 2bw2 h ASP 130 Ca -0.00 -0.34 -0.21 0.00 -0.39 0.00 0.00 57.03 56.09 2bw2 h ASP 130 Cb 0.42 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.36 2bw2 h ASP 130 CO 0.02 0.55 -0.67 1.62 -1.61 0.00 0.00 179.24 179.15 2bw2 h VAL 131 N -0.00 1.28 -0.74 2.25 3.04 -1.08 -2.59 116.25 118.41 2bw2 h VAL 131 Ca 0.04 -1.86 -0.05 0.00 -1.01 0.00 0.00 66.70 63.82 2bw2 h VAL 131 Cb 0.42 1.81 -0.03 0.00 -2.01 0.00 0.00 31.29 31.48 2bw2 h VAL 131 CO 0.01 0.60 0.28 0.40 -1.01 0.00 0.00 177.57 177.85 2bw2 h ILE 132 N 0.60 1.25 0.00 3.17 5.03 -0.99 0.49 117.51 127.06 2bw2 h ILE 132 Ca -0.02 -0.81 -0.07 0.00 -0.12 0.00 0.00 64.86 63.84 2bw2 h ILE 132 Cb 1.29 0.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 2bw2 h ILE 132 CO 0.14 0.33 -0.35 1.05 -0.68 0.00 0.00 178.15 178.64 2bw2 h GLU 133 N 1.08 0.00 0.04 2.37 4.11 -0.64 -1.15 114.58 120.39 2bw2 h GLU 133 Ca 0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.45 2bw2 h GLU 133 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2bw2 h GLU 133 CO -0.02 0.35 -1.02 1.25 0.07 0.00 0.00 179.01 179.64 2bw2 h HIS 134 N 0.00 0.27 -0.10 2.06 2.76 -0.94 -2.22 115.15 116.99 2bw2 h HIS 134 Ca -0.00 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 2bw2 h HIS 134 Cb 0.74 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2bw2 h HIS 134 CO 0.00 1.07 0.02 0.52 -1.30 0.00 0.00 177.93 178.24 2bw2 h MET 135 N 0.07 0.15 0.00 5.26 2.86 -0.28 -2.54 114.93 120.45 2bw2 h MET 135 Ca -0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2bw2 h MET 135 Cb 1.71 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.35 2bw2 h MET 135 CO 0.15 0.33 0.00 1.57 1.06 0.00 0.00 176.91 180.03 2bw2 h LYS 136 N -0.05 0.00 0.00 1.72 2.10 -1.26 -1.14 116.57 117.94 2bw2 h LYS 136 Ca 0.03 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 2bw2 h LYS 136 Cb 0.25 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 -0.03 0.00 -2.00 0.00 0.00 179.45 177.42 2bw2 h THR 137 N 0.00 0.09 0.00 0.07 1.03 -0.95 -3.14 112.91 110.01 2bw2 h THR 137 Ca 0.00 -0.63 -0.09 0.00 -0.01 0.00 0.00 66.41 65.68 2bw2 h THR 137 Cb 0.39 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 2bw2 h THR 137 CO 0.00 0.03 -0.61 1.88 -0.01 0.00 0.00 175.52 176.81 2bw2 h TYR 138 N 0.00 0.00 -6.90 0.00 0.05 -1.20 -3.48 116.97 105.45 2bw2 h TYR 138 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 2bw2 h TYR 138 Cb 0.57 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.99 2bw2 h TYR 138 CO 0.00 0.80 -0.80 -1.13 -1.05 0.00 0.00 178.16 175.98 2bw2 n SER 139 N -4.57 -1.99 0.00 3.88 3.41 -0.99 -4.92 113.62 108.45 2bw2 n SER 139 Ca -0.16 -1.03 0.09 0.00 -0.26 0.00 0.00 58.87 57.50 2bw2 n SER 139 Cb 0.43 -1.72 0.51 0.00 -0.26 0.00 0.00 64.21 63.18 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49