#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 3.87 0.11 0.00 2.02 -1.26 -4.78 118.70 118.66 2bw2 s GLU 2 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2bw2 s GLU 2 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2bw2 s GLU 2 CO 0.00 -0.03 0.00 1.33 0.02 0.00 0.00 175.26 176.58 2bw2 n VAL 3 N -1.10-10.75 -2.56 2.63 0.24 -1.26 -4.89 118.33 100.64 2bw2 n VAL 3 Ca 0.03 2.66 -0.43 0.00 -2.04 0.00 0.00 64.34 64.56 2bw2 n VAL 3 Cb 0.54 -4.75 -0.02 0.00 -1.47 0.00 0.00 33.84 28.14 2bw2 n VAL 3 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2bw2 s GLU 4 N -0.44 3.81 2.11 7.34 -1.05 -1.26 -4.86 118.70 124.36 2bw2 s GLU 4 Ca 0.00 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 2bw2 s GLU 4 Cb 0.00 -3.88 0.00 0.00 -0.44 0.00 0.00 34.13 29.81 2bw2 s GLU 4 CO 0.00 -1.26 0.00 0.72 0.95 0.00 0.00 175.26 175.67 2bw2 n HIS 5 N 7.71 -1.08 1.27 4.83 8.25 -1.26 -4.01 115.22 130.92 2bw2 n HIS 5 Ca 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.72 2bw2 n HIS 5 Cb 0.48 0.15 0.36 0.00 1.12 0.00 0.00 29.99 32.10 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bw2 n TYR 6 N -0.58 0.00 -2.30 4.41 4.02 -1.26 -4.85 117.16 116.59 2bw2 n TYR 6 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2bw2 n TYR 6 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 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 -2.35 4.39 1.02 -0.72 2.02 -1.26 -5.02 118.70 116.79 2bw2 s GLU 7 Ca 0.27 1.92 -0.13 0.00 0.02 0.00 0.00 54.97 57.05 2bw2 s GLU 7 Cb 0.20 -3.29 0.20 0.00 0.10 0.00 0.00 34.13 31.34 2bw2 s GLU 7 CO 0.47 -0.32 1.10 -1.25 0.02 0.00 0.00 175.26 175.28 2bw2 s PRO 8 N 0.92 0.25 -0.35 0.39 0.04 -1.26 -4.71 135.00 130.28 2bw2 s PRO 8 Ca 0.61 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 2bw2 s PRO 8 Cb -0.33 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2bw2 s PRO 8 CO 0.31 -2.84 0.46 -1.17 0.04 0.00 0.00 177.00 173.80 2bw2 s LEU 9 N -6.51 4.38 -0.63 -3.56 1.98 0.21 -4.72 118.68 109.84 2bw2 s LEU 9 Ca 0.66 -0.10 -0.27 0.00 -2.89 0.00 0.00 54.13 51.53 2bw2 s LEU 9 Cb -0.18 -2.50 0.01 0.00 0.66 0.00 0.00 46.19 44.18 2bw2 s LEU 9 CO 0.57 -0.43 1.45 -1.10 -1.89 0.00 0.00 176.35 174.96 2bw2 s GLN 10 N 2.25 3.14 -0.22 1.98 -0.21 -1.26 -0.92 119.66 124.42 2bw2 s GLN 10 Ca 0.16 0.25 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 2bw2 s GLN 10 Cb -0.16 -4.19 -0.05 0.00 1.00 0.00 0.00 33.01 29.61 2bw2 s GLN 10 CO 0.13 -2.15 0.23 0.08 -2.12 0.00 0.00 175.29 171.45 2bw2 s VAL 11 N 6.49 5.32 -0.44 1.09 1.01 0.73 -4.75 120.40 129.85 2bw2 s VAL 11 Ca 0.49 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2bw2 s VAL 11 Cb -0.10 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2bw2 s VAL 11 CO 0.21 0.33 0.39 -2.28 0.00 0.00 0.00 175.10 173.75 2bw2 s HIS 12 N 1.04 3.21 -0.20 5.22 2.46 0.81 -0.49 115.29 127.33 2bw2 s HIS 12 Ca 0.11 -0.61 -0.08 0.00 0.47 0.00 0.00 55.06 54.95 2bw2 s HIS 12 Cb -0.14 -2.90 -0.04 0.00 -0.13 0.00 0.00 32.58 29.37 2bw2 s HIS 12 CO 0.05 -0.71 0.09 0.14 -2.47 0.00 0.00 174.74 171.84 2bw2 s VAL 13 N 1.88 4.98 -0.40 0.89 -7.23 0.85 -0.42 120.40 120.96 2bw2 s VAL 13 Ca 0.08 0.04 -0.14 0.00 -1.81 0.00 0.00 61.98 60.15 2bw2 s VAL 13 Cb -0.20 -3.27 0.02 0.00 0.56 0.00 0.00 36.38 33.50 2bw2 s VAL 13 CO 0.10 0.43 0.27 -1.58 -0.31 0.00 0.00 175.10 174.02 2bw2 s GLN 14 N 0.54 2.96 -0.27 4.82 0.74 -0.21 -0.62 119.66 127.62 2bw2 s GLN 14 Ca 0.05 -1.02 -0.16 0.00 0.05 0.00 0.00 55.36 54.29 2bw2 s GLN 14 Cb -0.12 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 2bw2 s GLN 14 CO 0.01 -0.72 0.40 -0.51 -0.55 0.00 0.00 175.29 173.92 2bw2 s LEU 15 N 1.65 4.04 -0.07 3.68 2.01 0.67 -0.91 118.68 129.74 2bw2 s LEU 15 Ca 0.04 0.34 -0.11 0.00 0.01 0.00 0.00 54.13 54.41 2bw2 s LEU 15 Cb -0.19 -2.48 -0.05 0.00 0.01 0.00 0.00 46.19 43.49 2bw2 s LEU 15 CO 0.09 -0.20 0.26 -1.61 1.01 0.00 0.00 176.35 175.90 2bw2 s GLU 16 N 2.12 3.68 -0.30 1.70 2.02 0.59 -0.60 118.70 127.91 2bw2 s GLU 16 Ca 0.16 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.29 2bw2 s GLU 16 Cb -0.16 -3.21 0.08 0.00 0.10 0.00 0.00 34.13 30.94 2bw2 s GLU 16 CO 0.10 0.72 0.00 0.15 0.02 0.00 0.00 175.26 176.25 2bw2 s LYS 17 N -1.00 1.58 -0.19 1.61 1.02 -0.62 -0.03 119.74 122.12 2bw2 s LYS 17 Ca 0.19 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 2bw2 s LYS 17 Cb -0.14 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 2bw2 s LYS 17 CO 0.08 -0.80 0.67 0.14 -0.92 0.00 0.00 175.35 174.52 2bw2 s VAL 18 N 1.13 4.99 0.07 3.17 -7.23 -1.13 -2.07 120.40 119.34 2bw2 s VAL 18 Ca 0.03 1.29 0.08 0.00 -1.81 0.00 0.00 61.98 61.57 2bw2 s VAL 18 Cb -0.19 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.73 2bw2 s VAL 18 CO -0.09 0.10 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.26 2bw2 s TYR 19 N 1.92 1.94 -1.14 2.82 2.02 -1.07 -4.60 117.35 119.25 2bw2 s TYR 19 Ca 0.31 -0.39 0.28 0.00 -0.37 0.00 0.00 57.07 56.90 2bw2 s TYR 19 Cb -0.16 -1.11 1.11 0.00 -0.40 0.00 0.00 41.96 41.39 2bw2 s TYR 19 CO 0.11 0.17 1.82 1.47 -1.57 0.00 0.00 175.55 177.55 2bw2 n LEU 20 N 1.46 0.18 -0.03 -1.29 -0.00 0.17 -3.00 117.00 114.49 2bw2 n LEU 20 Ca -0.18 0.29 0.15 0.00 -0.00 0.00 0.00 56.01 56.28 2bw2 n LEU 20 Cb 0.53 -0.38 0.80 0.00 -0.00 0.00 0.00 43.42 44.38 2bw2 n LEU 20 CO 0.23 0.04 1.03 -0.90 -0.00 0.00 0.00 177.39 177.79 2bw2 n ASP 21 N -1.40 0.09 0.00 1.45 5.75 -1.25 -4.88 116.55 116.32 2bw2 n ASP 21 Ca 0.09 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2bw2 n ASP 21 Cb 0.32 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2bw2 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bw2 n GLY 22 N 1.19 2.17 3.75 6.12 0.00 -1.16 -4.56 105.19 112.69 2bw2 n GLY 22 Ca 0.18 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.27 7.47 -0.16 1.61 -1.08 -1.26 -4.70 116.67 118.29 2bw2 s ASP 23 Ca 0.00 2.01 -0.01 0.00 -0.52 0.00 0.00 52.55 54.03 2bw2 s ASP 23 Cb 0.00 -2.61 0.04 0.00 -1.46 0.00 0.00 42.92 38.89 2bw2 s ASP 23 CO 0.00 -0.02 -0.04 -0.69 0.52 0.00 0.00 175.17 174.94 2bw2 s VAL 24 N -0.77 0.98 -0.49 1.11 1.01 -1.26 -2.61 120.40 118.38 2bw2 s VAL 24 Ca 0.44 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 2bw2 s VAL 24 Cb -0.27 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2bw2 s VAL 24 CO 0.34 0.13 1.02 -0.55 0.00 0.00 0.00 175.10 176.04 2bw2 s SER 25 N 1.69 6.53 -0.27 3.32 0.15 -0.88 -4.78 113.70 119.47 2bw2 s SER 25 Ca 0.01 0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2bw2 s SER 25 Cb -0.15 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2bw2 s SER 25 CO -0.08 -1.18 0.43 -0.63 1.20 0.00 0.00 173.24 172.98 2bw2 s ILE 26 N 4.12 5.14 0.06 6.45 -1.09 -1.26 -1.59 121.20 133.03 2bw2 s ILE 26 Ca 0.41 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.58 2bw2 s ILE 26 Cb -0.09 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2bw2 s ILE 26 CO 0.28 0.13 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.30 2bw2 s GLU 27 N 2.15 2.19 -0.26 2.79 2.56 0.23 -4.95 118.70 123.42 2bw2 s GLU 27 Ca 0.17 -0.95 0.02 0.00 0.00 0.00 0.00 54.97 54.21 2bw2 s GLU 27 Cb -0.16 -2.30 0.07 0.00 2.00 0.00 0.00 34.13 33.73 2bw2 s GLU 27 CO 0.10 0.54 -0.05 -1.01 -0.56 0.00 0.00 175.26 174.27 2bw2 s HIS 28 N -1.06 2.73 0.16 5.30 3.76 -1.26 -0.24 115.29 124.68 2bw2 s HIS 28 Ca 0.18 -2.03 0.10 0.00 -0.15 0.00 0.00 55.06 53.16 2bw2 s HIS 28 Cb -0.11 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2bw2 s HIS 28 CO 0.09 -0.83 -0.22 0.15 -0.85 0.00 0.00 174.74 173.09 2bw2 s LYS 29 N 1.28 1.62 -0.24 1.40 1.02 0.21 -4.96 119.74 120.06 2bw2 s LYS 29 Ca -0.04 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.58 2bw2 s LYS 29 Cb -0.19 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2bw2 s LYS 29 CO -0.07 0.43 -0.07 -3.38 -0.92 0.00 0.00 175.35 171.34 2bw2 s HIS 30 N -1.42 2.68 -0.01 3.18 -3.43 -1.25 -0.10 115.29 114.93 2bw2 s HIS 30 Ca 0.19 -1.95 0.06 0.00 -0.80 0.00 0.00 55.06 52.56 2bw2 s HIS 30 Cb -0.09 -1.71 -0.02 0.00 -1.43 0.00 0.00 32.58 29.34 2bw2 s HIS 30 CO 0.10 -0.81 -0.18 -1.83 -2.00 0.00 0.00 174.74 170.01 2bw2 s GLU 31 N 1.30 1.45 -0.22 -0.38 -1.05 0.35 -4.89 118.70 115.25 2bw2 s GLU 31 Ca -0.07 -0.68 -0.12 0.00 -0.15 0.00 0.00 54.97 53.95 2bw2 s GLU 31 Cb -0.19 -1.42 -0.05 0.00 -0.44 0.00 0.00 34.13 32.03 2bw2 s GLU 31 CO -0.06 0.39 0.24 0.15 0.95 0.00 0.00 175.26 176.92 2bw2 s LYS 32 N -0.53 4.12 0.05 -4.83 1.02 -1.24 -0.19 119.74 118.14 2bw2 s LYS 32 Ca 0.07 -0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.03 2bw2 s LYS 32 Cb -0.07 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 2bw2 s LYS 32 CO -0.00 0.05 -0.22 0.14 -0.92 0.00 0.00 175.35 174.40 2bw2 s VAL 33 N 1.08 1.75 -0.15 3.17 -7.23 -0.10 -4.72 120.40 114.21 2bw2 s VAL 33 Ca 0.11 -1.28 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 2bw2 s VAL 33 Cb -0.14 -1.53 -0.24 0.00 0.56 0.00 0.00 36.38 35.04 2bw2 s VAL 33 CO 0.05 0.19 0.38 -0.26 -0.31 0.00 0.00 175.10 175.15 2bw2 h PHE 34 N 4.74 0.27 -3.63 2.82 0.04 -1.93 0.61 116.94 119.86 2bw2 h PHE 34 Ca -0.44 -0.19 -0.68 0.00 2.80 0.00 0.00 57.97 59.46 2bw2 h PHE 34 Cb 1.16 -0.01 -0.28 0.00 2.20 0.00 0.00 35.95 39.02 2bw2 h PHE 34 CO 0.51 1.58 -0.64 -1.12 -0.60 0.00 0.00 178.31 178.04 2bw2 s SER 35 N -6.94 5.06 0.47 2.17 0.01 -1.26 -4.85 113.70 108.36 2bw2 s SER 35 Ca -0.24 -0.92 0.14 0.00 1.31 0.00 0.00 55.95 56.24 2bw2 s SER 35 Cb 0.05 -1.83 1.10 0.00 0.21 0.00 0.00 66.02 65.55 2bw2 s SER 35 CO 0.70 -0.23 2.06 0.24 0.41 0.00 0.00 173.24 176.41 2bw2 h MET 36 N 8.18 0.26 -0.59 12.44 2.86 -2.00 -0.70 114.93 135.39 2bw2 h MET 36 Ca -0.28 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2bw2 h MET 36 Cb 1.10 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 2bw2 h MET 36 CO 0.59 0.17 0.34 0.22 1.06 0.00 0.00 176.91 179.30 2bw2 h ASP 37 N 0.27 0.70 0.26 1.22 3.58 -1.99 0.10 116.42 120.56 2bw2 h ASP 37 Ca 0.15 -0.04 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 2bw2 h ASP 37 Cb 0.25 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2bw2 h ASP 37 CO -0.03 0.55 -0.82 -0.78 -2.88 0.00 0.00 179.24 175.28 2bw2 h ASP 38 N 0.81 0.54 -0.62 2.28 3.58 -1.56 -1.80 116.42 119.65 2bw2 h ASP 38 Ca 0.21 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2bw2 h ASP 38 Cb -0.02 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2bw2 h ASP 38 CO -0.04 1.15 0.33 0.15 -2.88 0.00 0.00 179.24 177.95 2bw2 h PHE 39 N 0.28 0.86 -0.42 0.28 3.04 -0.69 0.85 116.94 121.14 2bw2 h PHE 39 Ca -0.05 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.78 2bw2 h PHE 39 Cb 1.42 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.64 2bw2 h PHE 39 CO 0.05 0.62 -0.14 -1.49 -2.02 0.00 0.00 178.31 175.34 2bw2 h TRP 40 N 0.84 0.86 -0.08 0.41 -0.00 -0.69 0.18 115.95 117.47 2bw2 h TRP 40 Ca 0.22 -0.17 -0.13 0.00 -0.00 0.00 0.00 58.89 58.81 2bw2 h TRP 40 Cb 0.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 28.99 2bw2 h TRP 40 CO -0.01 0.87 -0.55 0.00 -0.00 0.00 0.00 178.44 178.75 2bw2 h ALA 41 N 1.15 0.93 -0.21 1.49 0.00 -0.97 0.25 119.26 121.89 2bw2 h ALA 41 Ca 0.11 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2bw2 h ALA 41 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2bw2 h ALA 41 CO 0.04 0.69 -0.50 0.00 0.00 0.00 0.00 179.25 179.48 2bw2 h ALA 42 N 1.25 0.72 -0.30 0.00 0.00 -0.23 -3.20 119.26 117.50 2bw2 h ALA 42 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bw2 h ALA 42 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2bw2 h ALA 42 CO 0.08 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.67 2bw2 n TYR 43 N -3.98 0.92 0.17 0.00 4.02 -0.00 -4.61 117.16 113.68 2bw2 n TYR 43 Ca -0.03 -0.80 0.16 0.00 -0.01 0.00 0.00 57.90 57.22 2bw2 n TYR 43 Cb 0.58 -0.27 0.77 0.00 -0.02 0.00 0.00 39.34 40.40 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 1.98 1.97 0.00 -0.72 0.00 -0.50 -0.56 119.26 121.43 2bw2 h ALA 44 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2bw2 h ALA 44 Cb 1.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2bw2 h ALA 44 CO 0.20 -0.31 -0.39 0.78 0.00 0.00 0.00 179.25 179.53 2bw2 h GLY 45 N 0.00 0.00 -1.76 0.00 0.00 -1.84 -3.44 103.07 96.03 2bw2 h GLY 45 Ca 0.10 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.95 2bw2 h GLY 45 CO -0.00 0.00 0.38 -0.98 0.00 0.00 0.00 176.54 175.94 2bw2 s TRP 46 N -3.33 3.24 -0.15 5.60 0.52 -0.22 -4.96 118.94 119.64 2bw2 s TRP 46 Ca 0.02 1.49 -0.22 0.00 0.02 0.00 0.00 56.10 57.42 2bw2 s TRP 46 Cb 0.09 -2.90 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 2bw2 s TRP 46 CO 0.70 -0.69 0.65 0.99 0.02 0.00 0.00 176.95 178.61 2bw2 s THR 47 N -2.52 5.03 -0.01 2.01 2.01 0.49 -4.89 115.64 117.77 2bw2 s THR 47 Ca 0.61 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 2bw2 s THR 47 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2bw2 s THR 47 CO 0.33 0.16 1.18 -0.22 -0.69 0.00 0.00 174.62 175.38 2bw2 s LEU 48 N 1.50 4.32 -0.27 4.42 2.96 -1.26 -0.91 118.68 129.44 2bw2 s LEU 48 Ca 0.31 1.87 -0.13 0.00 -0.22 0.00 0.00 54.13 55.96 2bw2 s LEU 48 Cb -0.16 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 2bw2 s LEU 48 CO 0.12 -0.52 -0.28 0.52 -1.32 0.00 0.00 176.35 174.88 2bw2 n VAL 49 N 4.33 1.53 -3.61 1.68 0.31 0.88 -4.94 118.33 118.50 2bw2 n VAL 49 Ca 0.10 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 2bw2 n VAL 49 Cb 0.47 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.50 0.60 -0.01 5.55 -1.05 -1.03 -5.01 118.70 115.25 2bw2 s GLU 50 Ca -0.37 0.45 0.03 0.00 -0.15 0.00 0.00 54.97 54.93 2bw2 s GLU 50 Cb 0.13 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2bw2 s GLU 50 CO 0.51 -0.12 -0.10 1.14 0.95 0.00 0.00 175.26 177.64 2bw2 s GLN 51 N -0.30 0.82 -0.33 -4.83 -2.07 -1.26 0.01 119.66 111.71 2bw2 s GLN 51 Ca 0.00 -0.34 -0.00 0.00 -1.82 0.00 0.00 55.36 53.20 2bw2 s GLN 51 Cb -0.03 -0.79 0.13 0.00 -1.09 0.00 0.00 33.01 31.23 2bw2 s GLN 51 CO -0.02 0.19 0.26 -1.59 -1.32 0.00 0.00 175.29 172.81 2bw2 s LYS 52 N -0.16 0.43 0.00 9.60 -2.85 0.75 -5.00 119.74 122.52 2bw2 s LYS 52 Ca 0.03 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 2bw2 s LYS 52 Cb -0.05 -0.94 0.00 0.00 -2.06 0.00 0.00 37.83 34.78 2bw2 s LYS 52 CO -0.00 -1.12 0.00 1.17 0.10 0.00 0.00 175.35 175.50 2bw2 n LYS 53 N 4.70 0.00 0.00 1.78 0.00 -1.26 -1.00 118.16 122.38 2bw2 n LYS 53 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.38 2bw2 n LYS 53 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.45 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 -0.06 3.37 3.14 0.00 -1.26 -4.95 105.19 105.43 2bw2 n GLY 54 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.13 2.86 -0.08 1.61 5.04 -0.17 -0.14 117.35 125.34 2bw2 s TYR 55 Ca 0.04 -0.67 0.03 0.00 -2.44 0.00 0.00 57.07 54.03 2bw2 s TYR 55 Cb 0.05 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.47 2bw2 s TYR 55 CO 0.17 -0.26 -0.17 0.08 -1.34 0.00 0.00 175.55 174.03 2bw2 s VAL 56 N 0.55 1.54 -0.29 3.14 1.01 0.45 -0.18 120.40 126.61 2bw2 s VAL 56 Ca -0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2bw2 s VAL 56 Cb -0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2bw2 s VAL 56 CO 0.03 0.44 0.16 -0.22 0.00 0.00 0.00 175.10 175.52 2bw2 s LEU 57 N 0.57 4.00 0.28 3.92 2.96 0.10 -1.04 118.68 129.48 2bw2 s LEU 57 Ca -0.15 -0.27 0.12 0.00 -0.22 0.00 0.00 54.13 53.60 2bw2 s LEU 57 Cb -0.17 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2bw2 s LEU 57 CO 0.05 -0.12 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.41 2bw2 s PHE 58 N 1.68 2.29 -0.01 5.38 0.08 -0.09 -0.09 117.98 127.22 2bw2 s PHE 58 Ca 0.06 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.77 2bw2 s PHE 58 Cb -0.16 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2bw2 s PHE 58 CO 0.08 0.70 -0.04 -0.98 -0.10 0.00 0.00 175.22 174.88 2bw2 s ARG 59 N -3.52 0.37 -0.04 0.44 1.70 -0.09 -0.30 118.95 117.51 2bw2 s ARG 59 Ca 0.30 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.45 2bw2 s ARG 59 Cb -0.04 -0.38 0.03 0.00 -0.57 0.00 0.00 34.95 33.98 2bw2 s ARG 59 CO 0.15 0.05 -0.01 0.21 -1.08 0.00 0.00 175.30 174.62 2bw2 s LYS 60 N 0.12 0.50 -0.41 3.89 2.47 0.95 -0.38 119.74 126.88 2bw2 s LYS 60 Ca -0.01 0.02 0.03 0.00 -1.56 0.00 0.00 55.97 54.45 2bw2 s LYS 60 Cb -0.04 -0.64 0.11 0.00 -1.46 0.00 0.00 37.83 35.80 2bw2 s LYS 60 CO -0.00 -0.13 0.15 1.14 0.16 0.00 0.00 175.35 176.67 2bw2 s GLN 61 N 1.06 1.56 0.22 4.03 -2.07 -1.26 -2.83 119.66 120.37 2bw2 s GLN 61 Ca -0.09 -2.08 0.23 0.00 -1.82 0.00 0.00 55.36 51.60 2bw2 s GLN 61 Cb -0.14 -3.04 0.12 0.00 -1.09 0.00 0.00 33.01 28.86 2bw2 s GLN 61 CO -0.01 -1.03 1.19 0.00 -1.32 0.00 0.00 175.29 174.12 2bw2 h MET 62 N 7.18 0.00 0.00 9.60 -0.00 -1.98 -3.47 114.93 126.26 2bw2 h MET 62 Ca -0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.44 2bw2 h MET 62 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.52 2bw2 h MET 62 CO 0.57 0.00 -0.18 -3.47 -0.00 0.00 0.00 176.91 173.83 2bw2 n ASP 63 N -2.62 0.55 -0.12 -0.10 -0.08 -1.26 -5.07 116.55 107.85 2bw2 n ASP 63 Ca 0.01 -1.85 -0.17 0.00 -1.51 0.00 0.00 54.79 51.28 2bw2 n ASP 63 Cb 0.52 0.49 -0.11 0.00 2.34 0.00 0.00 41.12 44.37 2bw2 n ASP 63 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2bw2 n ASP 64 N -2.10 2.17 -4.47 1.67 9.92 -1.26 -4.82 116.55 117.66 2bw2 n ASP 64 Ca -0.00 -0.10 -0.25 0.00 -0.53 0.00 0.00 54.79 53.90 2bw2 n ASP 64 Cb 0.24 -0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 40.23 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2bw2 s ILE 65 N -2.46 2.54 0.40 0.53 -4.36 -1.26 0.42 121.20 117.00 2bw2 s ILE 65 Ca -0.31 -2.21 -0.27 0.00 -0.26 0.00 0.00 60.65 57.59 2bw2 s ILE 65 Cb 0.08 -2.29 -0.10 0.00 1.25 0.00 0.00 42.46 41.40 2bw2 s ILE 65 CO 0.53 -0.29 1.42 -0.94 0.24 0.00 0.00 174.94 175.91 2bw2 s SER 66 N -3.20 6.22 0.34 4.36 1.04 -1.26 -4.93 113.70 116.26 2bw2 s SER 66 Ca 0.27 2.92 0.04 0.00 0.48 0.00 0.00 55.95 59.66 2bw2 s SER 66 Cb -0.06 -2.66 0.60 0.00 0.10 0.00 0.00 66.02 64.00 2bw2 s SER 66 CO 0.14 -0.94 1.89 1.55 0.98 0.00 0.00 173.24 176.85 2bw2 h PRO 67 N 2.76 0.56 -0.11 4.02 0.13 -1.99 -2.36 132.00 135.02 2bw2 h PRO 67 Ca -0.50 -0.11 -0.09 0.00 -0.87 0.00 0.00 66.00 64.42 2bw2 h PRO 67 Cb 1.25 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2bw2 h PRO 67 CO 0.63 0.56 -0.34 1.25 -0.23 0.00 0.00 178.00 179.86 2bw2 h LEU 68 N 0.54 0.22 -1.65 1.56 7.12 -2.00 -1.16 115.31 119.94 2bw2 h LEU 68 Ca 0.12 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2bw2 h LEU 68 Cb 0.29 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2bw2 h LEU 68 CO 0.00 0.55 -0.11 0.28 -0.13 0.00 0.00 178.44 179.04 2bw2 h SER 69 N 0.19 0.00 0.92 1.25 0.02 -1.80 0.41 113.55 114.53 2bw2 h SER 69 Ca 0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 2bw2 h SER 69 Cb 0.70 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2bw2 h SER 69 CO 0.05 0.11 -1.06 0.11 -1.14 0.00 0.00 176.83 174.90 2bw2 h LYS 70 N 0.00 0.04 0.13 3.45 1.57 -1.10 -0.97 116.57 119.69 2bw2 h LYS 70 Ca -0.00 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.42 2bw2 h LYS 70 Cb 0.48 0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.84 2bw2 h LYS 70 CO 0.01 1.02 -1.18 -0.39 -0.57 0.00 0.00 179.45 178.34 2bw2 h VAL 71 N 0.01 1.32 0.00 0.50 -1.51 -0.83 -3.40 116.25 112.34 2bw2 h VAL 71 Ca -0.04 -2.46 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 2bw2 h VAL 71 Cb 1.81 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 33.75 2bw2 h VAL 71 CO 0.14 0.74 -0.04 -1.13 -1.23 0.00 0.00 177.57 176.06 2bw2 h ASN 72 N 0.16 0.00 -2.86 4.19 -0.73 -1.10 -3.51 115.58 111.74 2bw2 h ASN 72 Ca -0.18 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.99 2bw2 h ASN 72 Cb 1.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.46 2bw2 h ASN 72 CO 0.23 0.06 0.00 0.61 -0.37 0.00 0.00 177.43 177.95 2bw2 n GLY 73 N 1.76 -0.57 3.40 1.57 0.00 -0.37 -4.96 105.19 106.02 2bw2 n GLY 73 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.23 -0.69 -0.13 1.61 2.02 -1.14 -3.71 117.35 114.07 2bw2 s TYR 74 Ca 0.00 1.51 -0.00 0.00 -0.37 0.00 0.00 57.07 58.20 2bw2 s TYR 74 Cb 0.00 0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.87 2bw2 s TYR 74 CO 0.00 -0.36 -0.12 0.42 -1.57 0.00 0.00 175.55 173.92 2bw2 s ILE 75 N 1.07 3.19 0.09 2.71 1.01 -1.18 -2.27 121.20 125.82 2bw2 s ILE 75 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2bw2 s ILE 75 Cb -0.06 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2bw2 s ILE 75 CO -0.10 0.53 -0.02 -0.83 0.00 0.00 0.00 174.94 174.52 2bw2 s GLY 76 N 0.25 0.75 0.08 6.18 0.00 0.00 -1.13 107.32 113.45 2bw2 s GLY 76 Ca -0.08 -1.35 0.09 0.00 0.00 0.00 0.00 44.72 43.38 2bw2 s GLY 76 CO 0.05 -1.40 -0.23 -1.34 0.00 0.00 0.00 173.10 170.18 2bw2 s VAL 77 N -3.82 1.89 0.66 1.40 -7.23 -0.63 -1.84 120.40 110.83 2bw2 s VAL 77 Ca 0.14 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2bw2 s VAL 77 Cb 0.07 -1.67 0.07 0.00 0.56 0.00 0.00 36.38 35.41 2bw2 s VAL 77 CO -0.05 0.12 0.92 -0.44 -0.31 0.00 0.00 175.10 175.34 2bw2 s SER 78 N -1.63 4.81 0.44 4.85 0.01 -1.01 -4.63 113.70 116.54 2bw2 s SER 78 Ca 0.09 0.06 0.24 0.00 1.31 0.00 0.00 55.95 57.65 2bw2 s SER 78 Cb -0.10 -0.71 1.26 0.00 0.21 0.00 0.00 66.02 66.68 2bw2 s SER 78 CO 0.04 -1.53 1.76 -0.78 0.41 0.00 0.00 173.24 173.14 2bw2 h ASP 79 N -0.35 0.31 -0.37 2.44 3.58 -1.99 0.38 116.42 120.42 2bw2 h ASP 79 Ca -0.41 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2bw2 h ASP 79 Cb 1.29 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2bw2 h ASP 79 CO 0.51 0.03 0.00 0.59 -2.88 0.00 0.00 179.24 177.49 2bw2 n ASN 80 N -4.53 3.84 -1.27 2.28 3.02 -1.26 -4.78 115.26 112.56 2bw2 n ASN 80 Ca 0.27 -2.52 -0.06 0.00 -0.03 0.00 0.00 54.58 52.23 2bw2 n ASN 80 Cb 1.05 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.49 0.53 3.64 7.41 0.00 0.13 -2.19 105.19 115.20 2bw2 n GLY 81 Ca 0.17 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.03 4.17 -0.01 1.61 1.01 -1.06 -0.36 120.40 122.73 2bw2 s VAL 82 Ca 0.15 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 2bw2 s VAL 82 Cb -0.06 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2bw2 s VAL 82 CO 0.18 -0.37 1.84 -0.38 0.00 0.00 0.00 175.10 176.36 2bw2 n ILE 83 N 5.98 1.87 -3.40 2.22 2.08 0.81 -2.40 119.36 126.53 2bw2 n ILE 83 Ca 0.15 -0.47 -0.31 0.00 0.56 0.00 0.00 62.75 62.68 2bw2 n ILE 83 Cb 0.46 -1.41 -0.05 0.00 -0.75 0.00 0.00 39.64 37.89 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2bw2 s SER 84 N 1.76 6.57 0.15 4.38 0.15 -0.77 -4.15 113.70 121.80 2bw2 s SER 84 Ca 0.01 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.37 2bw2 s SER 84 Cb 0.01 -2.20 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 2bw2 s SER 84 CO 0.00 -0.10 0.57 0.42 1.20 0.00 0.00 173.24 175.33 2bw2 s THR 85 N -1.88 4.83 0.14 6.45 -4.23 -1.26 -0.82 115.64 118.87 2bw2 s THR 85 Ca 0.46 0.88 0.06 0.00 -1.18 0.00 0.00 61.69 61.90 2bw2 s THR 85 Cb -0.11 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2bw2 s THR 85 CO 0.24 0.24 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.07 2bw2 s PHE 86 N -1.47 1.38 -0.43 3.99 0.40 -0.96 -2.45 117.98 118.43 2bw2 s PHE 86 Ca 0.38 -0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 2bw2 s PHE 86 Cb -0.15 -0.70 0.10 0.00 0.51 0.00 0.00 43.02 42.77 2bw2 s PHE 86 CO 0.19 0.14 0.26 -3.38 0.70 0.00 0.00 175.22 173.14 2bw2 s HIS 87 N -2.55 3.43 0.00 0.36 -3.43 -1.26 -4.00 115.29 107.84 2bw2 s HIS 87 Ca 0.12 -1.90 0.00 0.00 -0.80 0.00 0.00 55.06 52.48 2bw2 s HIS 87 Cb -0.02 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.95 2bw2 s HIS 87 CO 0.03 -0.93 0.00 0.41 -2.00 0.00 0.00 174.74 172.25 2bw2 n GLY 88 N 4.82 2.19 3.66 -1.38 0.00 -1.26 -4.83 105.19 108.39 2bw2 n GLY 88 Ca -0.07 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bw2 s ARG 89 N -2.41 4.19 -0.58 1.61 0.52 -1.26 -4.83 118.95 116.18 2bw2 s ARG 89 Ca 0.00 2.01 -0.26 0.00 -0.52 0.00 0.00 55.73 56.96 2bw2 s ARG 89 Cb 0.00 -3.92 -0.10 0.00 0.52 0.00 0.00 34.95 31.46 2bw2 s ARG 89 CO 0.00 -0.81 2.44 -0.35 0.02 0.00 0.00 175.30 176.60 2bw2 n PRO 90 N 6.97 0.87 -4.21 3.54 -0.04 -1.26 -4.76 135.00 136.12 2bw2 n PRO 90 Ca 0.16 -0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2bw2 n PRO 90 Cb 0.43 -3.31 -0.10 0.00 -0.04 0.00 0.00 33.50 30.49 2bw2 n PRO 90 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2bw2 s GLU 91 N 8.43 1.15 0.52 0.54 -1.05 -1.26 -4.68 118.70 122.35 2bw2 s GLU 91 Ca 1.01 -1.59 0.35 0.00 -0.15 0.00 0.00 54.97 54.59 2bw2 s GLU 91 Cb -0.26 0.11 1.75 0.00 -0.44 0.00 0.00 34.13 35.29 2bw2 s GLU 91 CO 0.26 -0.31 2.06 -1.00 0.95 0.00 0.00 175.26 177.22 2bw2 h PRO 92 N 2.66 0.00 0.00 -4.83 0.13 -1.99 0.14 132.00 128.11 2bw2 h PRO 92 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2bw2 h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2bw2 h PRO 92 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2bw2 n ALA 93 N -1.99 2.32 -2.33 -0.56 0.00 -1.26 -4.73 120.51 111.96 2bw2 n ALA 93 Ca -0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 2bw2 n ALA 93 Cb 0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bw2 s SER 94 N -2.87 5.44 0.01 0.00 0.01 0.47 -5.13 113.70 111.63 2bw2 s SER 94 Ca 0.18 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.03 2bw2 s SER 94 Cb 0.19 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 2bw2 s SER 94 CO 0.49 -0.52 -0.24 -1.83 0.41 0.00 0.00 173.24 171.55 2bw2 s GLU 95 N -4.13 2.04 0.56 12.44 -1.05 -1.26 -4.79 118.70 122.51 2bw2 s GLU 95 Ca 0.46 -0.98 -0.17 0.00 -0.15 0.00 0.00 54.97 54.13 2bw2 s GLU 95 Cb -0.07 -2.08 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2bw2 s GLU 95 CO 0.29 0.55 1.07 -2.14 0.95 0.00 0.00 175.26 175.98 2bw2 s PRO 96 N -0.98 3.39 -0.17 -4.83 0.02 -1.26 -4.54 135.00 126.62 2bw2 s PRO 96 Ca 0.11 1.34 -0.17 0.00 0.02 0.00 0.00 61.00 62.31 2bw2 s PRO 96 Cb -0.10 -2.03 -0.22 0.00 0.02 0.00 0.00 34.50 32.16 2bw2 s PRO 96 CO 0.01 -0.77 0.30 0.82 -0.33 0.00 0.00 177.00 177.03 2bw2 h ILE 97 N 0.82 0.85 -1.51 2.83 2.04 -1.85 -3.50 117.51 117.18 2bw2 h ILE 97 Ca -0.48 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.13 2bw2 h ILE 97 Cb 1.23 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2bw2 h ILE 97 CO 0.57 0.52 0.00 0.00 0.00 0.00 0.00 178.15 179.25 2bw2 n GLN 98 N -4.11 0.00 -3.53 2.37 0.00 -1.26 -4.93 117.38 105.92 2bw2 n GLN 98 Ca -0.31 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.54 2bw2 n GLN 98 Cb 0.81 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.93 2bw2 n GLN 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bw2 s SER 99 N 0.10 0.81 0.00 2.61 0.15 -1.26 -4.68 113.70 111.43 2bw2 s SER 99 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2bw2 s SER 99 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2bw2 s SER 99 CO 0.00 -0.29 0.05 0.49 1.20 0.00 0.00 173.24 174.69 2bw2 n PHE 100 N 5.34 0.00 -4.37 3.44 3.72 -1.26 -5.01 117.46 119.32 2bw2 n PHE 100 Ca -0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.16 2bw2 n PHE 100 Cb 0.50 -0.21 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.53 1.74 -0.16 1.38 0.40 -1.26 -4.96 117.98 114.59 2bw2 s PHE 101 Ca 0.00 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 2bw2 s PHE 101 Cb 0.00 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.58 2bw2 s PHE 101 CO 0.00 0.17 -0.15 -1.14 0.70 0.00 0.00 175.22 174.79 2bw2 s GLN 102 N -3.77 2.44 0.12 0.44 0.74 -1.25 -0.13 119.66 118.26 2bw2 s GLN 102 Ca 0.27 -0.68 0.05 0.00 0.05 0.00 0.00 55.36 55.06 2bw2 s GLN 102 Cb 0.04 -2.28 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 2bw2 s GLN 102 CO 0.09 -0.26 -0.13 0.96 -0.55 0.00 0.00 175.29 175.41 2bw2 s ILE 103 N 1.42 1.26 -0.32 -2.34 -4.36 0.51 -3.12 121.20 114.24 2bw2 s ILE 103 Ca 0.04 -1.76 -0.29 0.00 -0.26 0.00 0.00 60.65 58.38 2bw2 s ILE 103 Cb -0.13 -1.55 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2bw2 s ILE 103 CO -0.11 -0.48 1.52 -1.81 0.24 0.00 0.00 174.94 174.30 2bw2 s ASP 104 N -2.56 6.32 0.36 4.36 1.01 -1.26 -2.77 116.67 122.13 2bw2 s ASP 104 Ca 0.10 1.20 0.17 0.00 0.71 0.00 0.00 52.55 54.73 2bw2 s ASP 104 Cb -0.04 -2.54 0.63 0.00 1.01 0.00 0.00 42.92 41.99 2bw2 s ASP 104 CO 0.02 -1.38 1.72 -0.07 0.21 0.00 0.00 175.17 175.67 2bw2 h LEU 105 N 12.12 0.00 -1.36 1.23 3.38 -1.86 -1.17 115.31 127.65 2bw2 h LEU 105 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2bw2 h LEU 105 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bw2 h LEU 105 CO 1.04 0.41 -0.01 1.05 0.09 0.00 0.00 178.44 181.02 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.95 -1.71 114.58 116.15 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 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2bw2 h GLU 106 CO 0.05 0.01 -0.57 2.89 0.07 0.00 0.00 179.01 181.46 2bw2 n ARG 107 N -3.11 0.28 -0.56 1.06 1.85 -0.49 -4.85 116.66 110.84 2bw2 n ARG 107 Ca 0.01 0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 56.66 2bw2 n ARG 107 Cb 0.32 -1.69 0.22 0.00 -1.05 0.00 0.00 32.46 30.27 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 -4.19 1.58 -0.01 2.89 2.01 -0.65 -5.00 118.68 115.31 2bw2 s LEU 108 Ca 0.07 1.81 -0.10 0.00 0.01 0.00 0.00 54.13 55.91 2bw2 s LEU 108 Cb 0.13 -3.88 -0.06 0.00 0.01 0.00 0.00 46.19 42.40 2bw2 s LEU 108 CO 0.71 -3.86 0.66 1.05 1.01 0.00 0.00 176.35 175.92 2bw2 h GLU 109 N -2.39 -0.36 0.00 1.70 -0.00 -1.89 -3.49 114.58 108.15 2bw2 h GLU 109 Ca -0.55 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 2bw2 h GLU 109 Cb 1.31 0.08 0.00 0.00 -0.00 0.00 0.00 28.75 30.14 2bw2 h GLU 109 CO 0.46 -0.24 0.00 0.43 -0.00 0.00 0.00 179.01 179.66 2bw2 n SER 110 N -3.77 0.00 0.11 3.06 7.64 -1.26 -5.01 113.62 114.38 2bw2 n SER 110 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2bw2 n SER 110 Cb 0.15 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2bw2 n SER 110 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2bw2 h HIS 111 N 0.00 0.00 -0.50 1.43 2.07 -1.99 -3.34 115.15 112.82 2bw2 h HIS 111 Ca 0.00 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.56 2bw2 h HIS 111 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 2bw2 h HIS 111 CO 0.00 0.60 0.27 0.52 -3.07 0.00 0.00 177.93 176.25 2bw2 h MET 112 N 0.00 0.52 -0.60 5.12 2.86 -1.98 -1.87 114.93 118.98 2bw2 h MET 112 Ca -0.03 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2bw2 h MET 112 Cb 1.48 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 2bw2 h MET 112 CO 0.07 0.34 0.39 -0.56 1.06 0.00 0.00 176.91 178.21 2bw2 h GLN 113 N 0.53 0.76 -0.69 1.72 3.07 -1.91 -1.57 115.11 117.02 2bw2 h GLN 113 Ca 0.21 -0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.96 2bw2 h GLN 113 Cb 0.09 -0.17 -0.04 0.00 0.08 0.00 0.00 27.48 27.43 2bw2 h GLN 113 CO -0.13 0.50 0.45 0.87 0.09 0.00 0.00 178.83 180.62 2bw2 h LYS 114 N 0.78 0.71 -0.09 0.06 6.56 -1.58 0.39 116.57 123.41 2bw2 h LYS 114 Ca 0.22 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.65 2bw2 h LYS 114 Cb -0.06 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.42 2bw2 h LYS 114 CO -0.06 0.47 -0.49 -0.97 -2.06 0.00 0.00 179.45 176.34 2bw2 h ASN 115 N 0.73 0.26 0.44 0.86 -1.24 -0.54 -1.60 115.58 114.50 2bw2 h ASN 115 Ca 0.29 -0.13 -0.13 0.00 0.71 0.00 0.00 56.30 57.05 2bw2 h ASN 115 Cb 0.22 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 2bw2 h ASN 115 CO -0.09 0.72 -0.56 -0.07 -1.29 0.00 0.00 177.43 176.13 2bw2 h LEU 116 N 0.20 0.14 -0.53 0.34 3.38 -0.47 -0.50 115.31 117.86 2bw2 h LEU 116 Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2bw2 h LEU 116 Cb 0.94 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2bw2 h LEU 116 CO 0.08 0.67 0.21 -0.07 0.09 0.00 0.00 178.44 179.42 2bw2 h LEU 117 N 0.10 0.74 0.00 1.67 3.38 0.04 -1.64 115.31 119.59 2bw2 h LEU 117 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bw2 h LEU 117 Cb 1.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2bw2 h LEU 117 CO 0.08 0.71 -1.10 2.29 0.09 0.00 0.00 178.44 180.51 2bw2 n LYS 118 N -4.52 0.30 0.00 1.13 0.00 -1.02 -4.36 118.16 109.69 2bw2 n LYS 118 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2bw2 n LYS 118 Cb 0.16 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 2bw2 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 119 N 1.37 2.85 3.63 2.58 0.00 -0.20 -4.06 105.19 111.35 2bw2 n GLY 119 Ca 0.02 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.82 4.30 -1.07 -0.61 -1.09 -0.29 -4.78 121.20 116.85 2bw2 s ILE 120 Ca 0.00 1.45 0.22 0.00 -2.23 0.00 0.00 60.65 60.10 2bw2 s ILE 120 Cb 0.00 -4.35 0.22 0.00 -1.58 0.00 0.00 42.46 36.74 2bw2 s ILE 120 CO 0.00 -0.59 1.72 -0.81 -1.23 0.00 0.00 174.94 174.03 2bw2 n PRO 121 N 7.26 0.05 -4.07 2.79 -0.04 -1.24 -2.90 135.00 136.85 2bw2 n PRO 121 Ca 0.13 0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 63.38 2bw2 n PRO 121 Cb 0.47 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2bw2 s PHE 122 N -2.93 2.59 -0.01 0.54 5.36 -1.26 -4.73 117.98 117.54 2bw2 s PHE 122 Ca 0.12 -1.57 0.02 0.00 -0.96 0.00 0.00 56.93 54.55 2bw2 s PHE 122 Cb 0.15 -1.79 -0.00 0.00 -0.34 0.00 0.00 43.02 41.04 2bw2 s PHE 122 CO 0.40 -0.76 -0.08 1.03 -1.46 0.00 0.00 175.22 174.34 2bw2 s ARG 123 N 1.35 0.73 0.32 10.12 0.52 -1.26 -4.87 118.95 125.86 2bw2 s ARG 123 Ca 0.03 -0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 54.84 2bw2 s ARG 123 Cb -0.14 -0.71 0.02 0.00 0.52 0.00 0.00 34.95 34.64 2bw2 s ARG 123 CO -0.11 0.15 0.60 0.99 0.02 0.00 0.00 175.30 176.95 2bw2 s THR 124 N -0.05 0.00 0.10 0.02 2.01 -1.26 -4.83 115.64 111.62 2bw2 s THR 124 Ca 0.01 -1.29 -0.17 0.00 0.31 0.00 0.00 61.69 60.55 2bw2 s THR 124 Cb -0.05 -2.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 2bw2 s THR 124 CO -0.00 0.00 1.54 0.07 -0.69 0.00 0.00 174.62 175.54 2bw2 h LYS 125 N 2.11 0.56 0.00 4.92 2.10 -1.97 -0.07 116.57 124.22 2bw2 h LYS 125 Ca -0.28 -0.18 -0.18 0.00 -2.00 0.00 0.00 60.65 58.01 2bw2 h LYS 125 Cb 1.25 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2bw2 h LYS 125 CO 0.36 0.70 -0.84 0.00 -2.00 0.00 0.00 179.45 177.67 2bw2 h ALA 126 N 0.84 0.59 -0.49 0.07 0.00 -1.98 -0.21 119.26 118.09 2bw2 h ALA 126 Ca 0.09 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 2bw2 h ALA 126 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bw2 h ALA 126 CO 0.02 0.96 -0.20 0.93 0.00 0.00 0.00 179.25 180.96 2bw2 h GLU 127 N 0.06 0.98 0.04 0.00 4.39 -1.94 -0.70 114.58 117.41 2bw2 h GLU 127 Ca -0.03 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 2bw2 h GLU 127 Cb 1.47 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2bw2 h GLU 127 CO 0.12 1.08 -0.02 0.35 -1.16 0.00 0.00 179.01 179.38 2bw2 h PHE 128 N 0.85 -0.05 0.00 4.33 3.57 -0.61 -3.00 116.94 122.04 2bw2 h PHE 128 Ca 0.12 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2bw2 h PHE 128 Cb 0.77 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2bw2 h PHE 128 CO 0.05 0.42 -0.28 1.05 -2.23 0.00 0.00 178.31 177.32 2bw2 h GLU 129 N -0.53 0.00 -0.17 1.11 4.11 -0.97 -0.61 114.58 117.53 2bw2 h GLU 129 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2bw2 h GLU 129 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 129 CO 0.01 0.28 -0.05 0.22 0.07 0.00 0.00 179.01 179.53 2bw2 h ASP 130 N 0.00 0.33 -0.47 3.06 3.58 -1.16 0.23 116.42 121.99 2bw2 h ASP 130 Ca -0.00 -0.38 -0.11 0.00 0.42 0.00 0.00 57.03 56.95 2bw2 h ASP 130 Cb 0.66 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2bw2 h ASP 130 CO 0.04 0.64 -0.13 1.62 -2.88 0.00 0.00 179.24 178.53 2bw2 h VAL 131 N 0.02 1.27 -0.48 2.25 3.04 -1.34 -2.04 116.25 118.96 2bw2 h VAL 131 Ca 0.04 -1.26 -0.12 0.00 -1.01 0.00 0.00 66.70 64.35 2bw2 h VAL 131 Cb 0.50 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2bw2 h VAL 131 CO 0.02 0.44 -0.15 0.40 -1.01 0.00 0.00 177.57 177.27 2bw2 h ILE 132 N 0.85 1.27 0.00 3.17 5.03 -0.98 0.17 117.51 127.02 2bw2 h ILE 132 Ca 0.13 -1.29 -0.01 0.00 -0.12 0.00 0.00 64.86 63.57 2bw2 h ILE 132 Cb 0.67 1.06 -0.00 0.00 -3.03 0.00 0.00 36.82 35.52 2bw2 h ILE 132 CO 0.05 0.45 -0.03 1.05 -0.68 0.00 0.00 178.15 178.99 2bw2 h GLU 133 N 0.82 0.00 0.06 2.37 4.11 -0.41 0.04 114.58 121.57 2bw2 h GLU 133 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.44 2bw2 h GLU 133 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2bw2 h GLU 133 CO 0.05 0.03 -0.56 1.25 0.07 0.00 0.00 179.01 179.85 2bw2 h HIS 134 N 0.00 0.22 -0.89 2.06 2.76 -0.80 -3.30 115.15 115.21 2bw2 h HIS 134 Ca -0.00 -0.16 0.09 0.00 -2.20 0.00 0.00 60.37 58.10 2bw2 h HIS 134 Cb 0.55 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 2bw2 h HIS 134 CO 0.00 1.22 0.58 0.52 -1.30 0.00 0.00 177.93 178.94 2bw2 h MET 135 N -0.72 0.89 0.00 5.26 2.86 -0.26 -0.74 114.93 122.22 2bw2 h MET 135 Ca -0.12 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bw2 h MET 135 Cb 1.33 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2bw2 h MET 135 CO 0.03 0.59 0.00 1.57 1.06 0.00 0.00 176.91 180.16 2bw2 h LYS 136 N 0.91 0.00 0.00 1.72 2.10 -1.11 -1.20 116.57 118.99 2bw2 h LYS 136 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2bw2 h LYS 136 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2bw2 h LYS 136 CO -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.28 2bw2 h THR 137 N 0.00 0.00 0.00 0.07 1.03 -1.20 -3.17 112.91 109.64 2bw2 h THR 137 Ca 0.00 -0.56 -0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2bw2 h THR 137 Cb 0.39 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2bw2 h THR 137 CO 0.00 0.00 -0.13 1.88 -0.01 0.00 0.00 175.52 177.26 2bw2 h TYR 138 N 0.00 0.00 -0.84 0.00 -1.99 -1.31 -3.47 116.97 109.36 2bw2 h TYR 138 Ca 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 2bw2 h TYR 138 Cb 0.71 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.38 2bw2 h TYR 138 CO 0.00 0.07 -0.13 -1.13 -0.00 0.00 0.00 178.16 176.97 2bw2 n SER 139 N -4.73 -3.28 0.00 3.88 3.41 -0.86 -4.91 113.62 107.14 2bw2 n SER 139 Ca -0.03 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2bw2 n SER 139 Cb 0.09 -2.69 0.00 0.00 -0.26 0.00 0.00 64.21 61.36 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49