#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 1.65 0.33 0.00 -1.05 -1.26 -5.18 118.70 113.19 2bw2 s GLU 2 Ca 0.00 -1.06 0.03 0.00 -0.15 0.00 0.00 54.97 53.79 2bw2 s GLU 2 Cb 0.00 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2bw2 s GLU 2 CO 0.00 -0.73 0.12 0.14 0.95 0.00 0.00 175.26 175.74 2bw2 s VAL 3 N -3.95 0.64 -0.07 1.83 -7.23 -1.26 -5.07 120.40 105.29 2bw2 s VAL 3 Ca 0.15 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 2bw2 s VAL 3 Cb -0.04 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2bw2 s VAL 3 CO 0.06 0.00 1.39 -1.61 -0.31 0.00 0.00 175.10 174.64 2bw2 s GLU 4 N -3.85 4.25 0.91 4.82 8.01 -1.26 -4.62 118.70 126.96 2bw2 s GLU 4 Ca 0.33 1.89 -0.13 0.00 0.01 0.00 0.00 54.97 57.07 2bw2 s GLU 4 Cb 0.06 -3.73 0.14 0.00 -4.31 0.00 0.00 34.13 26.29 2bw2 s GLU 4 CO 0.16 -0.67 1.17 -1.01 0.01 0.00 0.00 175.26 174.91 2bw2 s HIS 5 N 3.13 2.38 -0.19 1.61 3.76 0.74 -4.98 115.29 121.73 2bw2 s HIS 5 Ca 0.62 0.74 0.10 0.00 -0.15 0.00 0.00 55.06 56.37 2bw2 s HIS 5 Cb -0.28 -3.50 -0.19 0.00 1.11 0.00 0.00 32.58 29.72 2bw2 s HIS 5 CO 0.23 -2.36 -0.05 0.66 -0.85 0.00 0.00 174.74 172.37 2bw2 n TYR 6 N -3.73 0.00 -3.45 1.40 4.02 -1.26 -4.67 117.16 109.47 2bw2 n TYR 6 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 2bw2 n TYR 6 Cb 0.60 -0.86 -0.10 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.43 3.24 1.07 -0.72 2.02 -1.26 -5.07 118.70 115.55 2bw2 s GLU 7 Ca -0.18 -0.77 -0.14 0.00 0.02 0.00 0.00 54.97 53.90 2bw2 s GLU 7 Cb 0.06 -3.90 0.23 0.00 0.10 0.00 0.00 34.13 30.62 2bw2 s GLU 7 CO 0.63 -0.64 1.09 -1.25 0.02 0.00 0.00 175.26 175.10 2bw2 s PRO 8 N 1.82 -0.18 -0.37 0.39 0.04 -1.26 -4.95 135.00 130.49 2bw2 s PRO 8 Ca 0.07 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 2bw2 s PRO 8 Cb -0.18 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2bw2 s PRO 8 CO 0.11 -3.12 0.23 -1.17 0.04 0.00 0.00 177.00 173.09 2bw2 s LEU 9 N -6.68 4.68 -0.42 -3.56 1.98 0.18 -4.78 118.68 110.07 2bw2 s LEU 9 Ca 0.67 -0.80 -0.29 0.00 -2.89 0.00 0.00 54.13 50.82 2bw2 s LEU 9 Cb -0.18 -2.07 0.00 0.00 0.66 0.00 0.00 46.19 44.61 2bw2 s LEU 9 CO 0.58 -0.35 1.49 -1.10 -1.89 0.00 0.00 176.35 175.09 2bw2 s GLN 10 N 1.62 3.47 -0.17 1.98 -0.21 -1.26 -0.98 119.66 124.12 2bw2 s GLN 10 Ca 0.04 0.95 -0.01 0.00 0.02 0.00 0.00 55.36 56.36 2bw2 s GLN 10 Cb -0.18 -4.08 -0.01 0.00 1.00 0.00 0.00 33.01 29.74 2bw2 s GLN 10 CO 0.08 -1.70 -0.11 0.08 -2.12 0.00 0.00 175.29 171.52 2bw2 s VAL 11 N 5.87 2.99 -0.44 1.09 1.01 0.54 -4.60 120.40 126.86 2bw2 s VAL 11 Ca 0.64 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2bw2 s VAL 11 Cb -0.15 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.98 2bw2 s VAL 11 CO 0.32 0.49 0.43 -2.28 0.00 0.00 0.00 175.10 174.06 2bw2 s HIS 12 N 0.86 3.18 -0.18 5.22 2.46 0.56 -0.33 115.29 127.07 2bw2 s HIS 12 Ca -0.03 -0.57 -0.08 0.00 0.47 0.00 0.00 55.06 54.84 2bw2 s HIS 12 Cb -0.15 -3.00 -0.04 0.00 -0.13 0.00 0.00 32.58 29.26 2bw2 s HIS 12 CO 0.00 -0.75 0.10 0.14 -2.47 0.00 0.00 174.74 171.76 2bw2 s VAL 13 N 2.01 5.13 -0.41 0.89 -7.23 0.74 -0.16 120.40 121.36 2bw2 s VAL 13 Ca 0.09 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.22 2bw2 s VAL 13 Cb -0.19 -3.31 0.04 0.00 0.56 0.00 0.00 36.38 33.47 2bw2 s VAL 13 CO 0.11 0.47 0.27 -1.58 -0.31 0.00 0.00 175.10 174.06 2bw2 s GLN 14 N 0.17 2.87 -0.26 4.82 0.74 -0.20 -1.03 119.66 126.77 2bw2 s GLN 14 Ca 0.07 -1.14 -0.17 0.00 0.05 0.00 0.00 55.36 54.17 2bw2 s GLN 14 Cb -0.12 -3.88 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2bw2 s GLN 14 CO -0.00 -0.79 0.46 -0.51 -0.55 0.00 0.00 175.29 173.89 2bw2 s LEU 15 N 1.59 4.05 0.01 3.68 2.01 0.71 -1.77 118.68 128.97 2bw2 s LEU 15 Ca 0.03 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.62 2bw2 s LEU 15 Cb -0.20 -2.57 -0.04 0.00 0.01 0.00 0.00 46.19 43.39 2bw2 s LEU 15 CO 0.07 -0.24 0.07 -1.61 1.01 0.00 0.00 176.35 175.66 2bw2 s GLU 16 N 2.16 3.00 -0.25 1.70 2.02 0.08 -0.52 118.70 126.89 2bw2 s GLU 16 Ca 0.19 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.67 2bw2 s GLU 16 Cb -0.16 -2.82 0.06 0.00 0.10 0.00 0.00 34.13 31.32 2bw2 s GLU 16 CO 0.09 0.63 -0.11 0.15 0.02 0.00 0.00 175.26 176.05 2bw2 s LYS 17 N -1.82 2.17 -0.21 1.61 -0.14 -0.50 -0.10 119.74 120.76 2bw2 s LYS 17 Ca 0.23 -1.24 -0.17 0.00 -1.36 0.00 0.00 55.97 53.43 2bw2 s LYS 17 Cb -0.12 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.19 2bw2 s LYS 17 CO 0.15 -0.55 0.46 0.08 -0.76 0.00 0.00 175.35 174.73 2bw2 s VAL 18 N 1.17 5.15 0.25 3.17 1.01 -0.87 -2.94 120.40 127.34 2bw2 s VAL 18 Ca -0.07 0.83 0.10 0.00 0.00 0.00 0.00 61.98 62.83 2bw2 s VAL 18 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2bw2 s VAL 18 CO -0.06 0.21 -0.06 -0.31 0.00 0.00 0.00 175.10 174.88 2bw2 s TYR 19 N 1.53 2.60 0.32 5.22 2.02 -1.16 -3.07 117.35 124.80 2bw2 s TYR 19 Ca 0.21 -0.25 0.12 0.00 -0.37 0.00 0.00 57.07 56.78 2bw2 s TYR 19 Cb -0.15 -1.16 0.54 0.00 -0.40 0.00 0.00 41.96 40.79 2bw2 s TYR 19 CO 0.09 0.62 1.72 -0.07 -1.57 0.00 0.00 175.55 176.35 2bw2 h LEU 20 N 2.14 0.00 0.00 -1.29 4.07 -1.83 -3.27 115.31 115.14 2bw2 h LEU 20 Ca -0.44 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2bw2 h LEU 20 Cb 1.24 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2bw2 h LEU 20 CO 0.59 0.49 0.00 -0.90 -1.08 0.00 0.00 178.44 177.54 2bw2 n ASP 21 N -3.96 0.00 0.00 -0.43 5.75 -1.26 -4.86 116.55 111.79 2bw2 n ASP 21 Ca -0.02 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 2bw2 n ASP 21 Cb 0.51 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.38 0.64 3.92 6.12 0.00 -1.23 -4.55 105.19 111.46 2bw2 n GLY 22 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.92 5.99 -0.22 1.61 2.15 -1.26 -4.52 116.67 118.49 2bw2 s ASP 23 Ca 0.00 -0.07 -0.09 0.00 0.43 0.00 0.00 52.55 52.81 2bw2 s ASP 23 Cb 0.00 -1.63 0.09 0.00 -0.30 0.00 0.00 42.92 41.07 2bw2 s ASP 23 CO 0.00 -0.09 0.50 0.54 -0.17 0.00 0.00 175.17 175.95 2bw2 s VAL 24 N -2.06 -0.47 -0.14 1.11 0.11 -1.26 -3.01 120.40 114.68 2bw2 s VAL 24 Ca 0.35 0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 59.23 2bw2 s VAL 24 Cb -0.09 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2bw2 s VAL 24 CO 0.28 0.04 0.85 -0.55 -3.33 0.00 0.00 175.10 172.39 2bw2 s SER 25 N 2.24 7.02 -0.24 3.54 0.15 -1.15 -4.83 113.70 120.42 2bw2 s SER 25 Ca -0.06 1.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 2bw2 s SER 25 Cb -0.10 -2.47 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2bw2 s SER 25 CO -0.15 -0.37 -0.01 -0.63 1.20 0.00 0.00 173.24 173.28 2bw2 s ILE 26 N 1.93 3.49 0.06 6.45 -1.09 -1.26 -1.41 121.20 129.38 2bw2 s ILE 26 Ca 0.40 -0.60 0.06 0.00 -2.23 0.00 0.00 60.65 58.28 2bw2 s ILE 26 Cb -0.17 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 2bw2 s ILE 26 CO 0.14 0.30 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.34 2bw2 s GLU 27 N 1.47 2.22 -0.23 2.79 2.56 0.32 -4.94 118.70 122.89 2bw2 s GLU 27 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 54.97 54.07 2bw2 s GLU 27 Cb -0.15 -2.32 0.06 0.00 2.00 0.00 0.00 34.13 33.72 2bw2 s GLU 27 CO -0.02 0.54 -0.01 -1.01 -0.56 0.00 0.00 175.26 174.21 2bw2 s HIS 28 N -1.08 1.93 0.27 5.30 3.76 -1.26 -0.20 115.29 124.01 2bw2 s HIS 28 Ca 0.18 -1.50 0.11 0.00 -0.15 0.00 0.00 55.06 53.70 2bw2 s HIS 28 Cb -0.11 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 2bw2 s HIS 28 CO 0.10 -0.74 -0.16 0.15 -0.85 0.00 0.00 174.74 173.24 2bw2 s LYS 29 N 1.55 1.80 -0.14 1.40 1.02 -0.20 -4.96 119.74 120.21 2bw2 s LYS 29 Ca -0.02 -1.67 0.01 0.00 0.02 0.00 0.00 55.97 54.31 2bw2 s LYS 29 Cb -0.18 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 2bw2 s LYS 29 CO -0.09 0.34 -0.17 -3.38 -0.92 0.00 0.00 175.35 171.14 2bw2 s HIS 30 N -2.40 2.34 -0.04 3.18 -3.43 -1.26 -0.19 115.29 113.50 2bw2 s HIS 30 Ca 0.30 -1.26 0.05 0.00 -0.80 0.00 0.00 55.06 53.34 2bw2 s HIS 30 Cb -0.06 -1.66 -0.00 0.00 -1.43 0.00 0.00 32.58 29.43 2bw2 s HIS 30 CO 0.16 -0.64 -0.18 -1.83 -2.00 0.00 0.00 174.74 170.25 2bw2 s GLU 31 N 1.19 1.81 -0.48 -0.38 -1.05 0.56 -4.92 118.70 115.42 2bw2 s GLU 31 Ca -0.00 -0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 54.03 2bw2 s GLU 31 Cb -0.14 -1.59 0.08 0.00 -0.44 0.00 0.00 34.13 32.04 2bw2 s GLU 31 CO -0.07 0.27 0.41 0.15 0.95 0.00 0.00 175.26 176.96 2bw2 s LYS 32 N -0.03 2.98 -0.08 -4.83 1.02 -1.24 -0.34 119.74 117.22 2bw2 s LYS 32 Ca -0.03 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.57 2bw2 s LYS 32 Cb -0.11 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.02 2bw2 s LYS 32 CO 0.02 -1.06 -0.03 0.54 -0.92 0.00 0.00 175.35 173.90 2bw2 s VAL 33 N 1.64 4.08 0.03 3.17 0.11 -0.15 -4.60 120.40 124.67 2bw2 s VAL 33 Ca 0.04 -0.33 0.16 0.00 -2.93 0.00 0.00 61.98 58.91 2bw2 s VAL 33 Cb -0.25 -2.70 0.06 0.00 -1.53 0.00 0.00 36.38 31.97 2bw2 s VAL 33 CO 0.06 0.60 1.56 -0.26 -3.33 0.00 0.00 175.10 173.74 2bw2 h PHE 34 N 5.20 0.00 -3.24 1.54 0.04 -1.88 0.50 116.94 119.10 2bw2 h PHE 34 Ca -0.50 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 59.98 2bw2 h PHE 34 Cb 1.18 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 38.99 2bw2 h PHE 34 CO 0.61 0.50 -0.65 0.45 -0.60 0.00 0.00 178.31 178.62 2bw2 s SER 35 N -6.48 0.38 0.51 2.17 0.15 -1.26 -0.18 113.70 108.98 2bw2 s SER 35 Ca 0.02 0.24 0.17 0.00 0.70 0.00 0.00 55.95 57.08 2bw2 s SER 35 Cb 0.09 0.14 1.24 0.00 -1.71 0.00 0.00 66.02 65.78 2bw2 s SER 35 CO 0.73 -0.19 2.10 0.24 1.20 0.00 0.00 173.24 177.32 2bw2 h MET 36 N 7.80 0.08 -0.72 5.44 2.86 -1.88 -0.93 114.93 127.57 2bw2 h MET 36 Ca -0.29 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.40 2bw2 h MET 36 Cb 1.13 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 2bw2 h MET 36 CO 0.30 0.05 0.42 0.22 1.06 0.00 0.00 176.91 178.96 2bw2 h ASP 37 N 0.08 0.64 -0.11 1.22 1.82 -1.95 0.12 116.42 118.24 2bw2 h ASP 37 Ca 0.07 0.03 -0.18 0.00 -0.39 0.00 0.00 57.03 56.56 2bw2 h ASP 37 Cb 0.20 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 2bw2 h ASP 37 CO -0.01 0.41 -0.56 -0.78 -1.61 0.00 0.00 179.24 176.69 2bw2 h ASP 38 N 0.77 0.78 -0.51 2.28 3.58 -1.60 -2.50 116.42 119.21 2bw2 h ASP 38 Ca 0.32 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2bw2 h ASP 38 Cb 0.18 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2bw2 h ASP 38 CO -0.18 1.18 0.30 0.15 -2.88 0.00 0.00 179.24 177.82 2bw2 h PHE 39 N 0.53 0.68 -0.49 0.28 3.04 -0.82 0.91 116.94 121.08 2bw2 h PHE 39 Ca 0.01 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2bw2 h PHE 39 Cb 1.14 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 2bw2 h PHE 39 CO 0.06 0.48 0.02 -1.49 -2.02 0.00 0.00 178.31 175.36 2bw2 h TRP 40 N 0.69 0.85 -0.09 0.41 -0.00 -0.68 -0.54 115.95 116.58 2bw2 h TRP 40 Ca 0.18 -0.11 -0.12 0.00 -0.00 0.00 0.00 58.89 58.84 2bw2 h TRP 40 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 28.92 2bw2 h TRP 40 CO -0.02 0.78 -0.49 0.00 -0.00 0.00 0.00 178.44 178.70 2bw2 h ALA 41 N 1.26 1.00 -0.34 1.49 0.00 -1.00 0.20 119.26 121.87 2bw2 h ALA 41 Ca 0.15 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bw2 h ALA 41 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bw2 h ALA 41 CO 0.02 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 2bw2 h ALA 42 N 1.30 0.48 -0.49 0.00 0.00 -0.12 -3.22 119.26 117.21 2bw2 h ALA 42 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bw2 h ALA 42 Cb 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bw2 h ALA 42 CO 0.08 0.42 0.00 0.66 0.00 0.00 0.00 179.25 180.41 2bw2 n TYR 43 N -4.30 1.13 0.26 0.00 4.02 -0.28 -4.55 117.16 113.43 2bw2 n TYR 43 Ca -0.03 -0.64 0.18 0.00 -0.01 0.00 0.00 57.90 57.40 2bw2 n TYR 43 Cb 0.42 -0.21 0.90 0.00 -0.02 0.00 0.00 39.34 40.43 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 3.10 1.55 0.00 -0.72 0.00 -0.62 0.58 119.26 123.16 2bw2 h ALA 44 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bw2 h ALA 44 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2bw2 h ALA 44 CO 0.18 -0.27 -0.35 0.78 0.00 0.00 0.00 179.25 179.58 2bw2 h GLY 45 N 0.00 0.00 -1.95 0.00 0.00 -1.84 -3.45 103.07 95.83 2bw2 h GLY 45 Ca 0.06 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.89 2bw2 h GLY 45 CO -0.00 0.00 0.19 -0.98 0.00 0.00 0.00 176.54 175.75 2bw2 s TRP 46 N -3.15 3.56 -0.26 5.60 0.52 0.19 -4.91 118.94 120.49 2bw2 s TRP 46 Ca 0.08 0.98 -0.21 0.00 0.02 0.00 0.00 56.10 56.96 2bw2 s TRP 46 Cb 0.12 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.00 2bw2 s TRP 46 CO 0.67 -0.34 0.67 0.99 0.02 0.00 0.00 176.95 178.96 2bw2 s THR 47 N -2.77 4.95 -0.47 2.01 2.01 0.13 -4.85 115.64 116.65 2bw2 s THR 47 Ca 0.50 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 2bw2 s THR 47 Cb -0.10 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2bw2 s THR 47 CO 0.44 -0.02 1.36 -0.22 -0.69 0.00 0.00 174.62 175.49 2bw2 s LEU 48 N 2.59 3.54 -0.15 4.42 1.98 -1.26 -0.91 118.68 128.89 2bw2 s LEU 48 Ca 0.28 0.60 -0.17 0.00 -2.89 0.00 0.00 54.13 51.94 2bw2 s LEU 48 Cb -0.15 -3.40 -0.24 0.00 0.66 0.00 0.00 46.19 43.06 2bw2 s LEU 48 CO 0.09 -1.48 0.39 0.58 -1.89 0.00 0.00 176.35 174.04 2bw2 h VAL 49 N 6.40 0.94 -2.77 1.68 2.07 -1.24 -3.49 116.25 119.83 2bw2 h VAL 49 Ca -0.26 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 2bw2 h VAL 49 Cb 1.09 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 33.24 2bw2 h VAL 49 CO 1.12 0.59 0.19 -1.83 0.02 0.00 0.00 177.57 177.65 2bw2 s GLU 50 N -2.44 1.21 0.01 1.57 -1.05 -1.08 -5.03 118.70 111.89 2bw2 s GLU 50 Ca -0.24 -0.30 -0.04 0.00 -0.15 0.00 0.00 54.97 54.24 2bw2 s GLU 50 Cb 0.05 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.29 2bw2 s GLU 50 CO 0.69 -0.49 0.06 1.14 0.95 0.00 0.00 175.26 177.61 2bw2 s GLN 51 N -3.10 0.41 0.09 -4.83 -2.07 -1.26 -0.19 119.66 108.71 2bw2 s GLN 51 Ca -0.02 -0.50 -0.05 0.00 -1.82 0.00 0.00 55.36 52.97 2bw2 s GLN 51 Cb -0.01 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 2bw2 s GLN 51 CO -0.07 -0.09 0.10 -1.59 -1.32 0.00 0.00 175.29 172.32 2bw2 s LYS 52 N -1.43 0.82 -0.56 9.60 -2.85 0.65 -5.00 119.74 120.97 2bw2 s LYS 52 Ca -0.15 -1.17 -0.26 0.00 -1.00 0.00 0.00 55.97 53.39 2bw2 s LYS 52 Cb -0.09 0.28 -0.08 0.00 -2.06 0.00 0.00 37.83 35.89 2bw2 s LYS 52 CO 0.00 -0.23 2.36 0.21 0.10 0.00 0.00 175.35 177.79 2bw2 s LYS 53 N -3.93 2.06 0.00 1.78 2.36 -1.26 -1.10 119.74 119.65 2bw2 s LYS 53 Ca 0.11 1.15 0.00 0.00 -2.55 0.00 0.00 55.97 54.68 2bw2 s LYS 53 Cb 0.06 -4.61 0.00 0.00 -1.05 0.00 0.00 37.83 32.23 2bw2 s LYS 53 CO -0.07 -3.44 0.00 0.41 1.55 0.00 0.00 175.35 173.80 2bw2 n GLY 54 N 6.13 2.02 2.82 5.54 0.00 -1.26 -5.07 105.19 115.37 2bw2 n GLY 54 Ca 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.91 0.04 -0.04 1.61 6.14 -0.25 -0.32 117.35 122.61 2bw2 s TYR 55 Ca 0.00 0.07 0.04 0.00 0.64 0.00 0.00 57.07 57.82 2bw2 s TYR 55 Cb 0.00 -0.15 -0.01 0.00 0.42 0.00 0.00 41.96 42.22 2bw2 s TYR 55 CO 0.00 -0.05 -0.17 0.08 0.64 0.00 0.00 175.55 176.05 2bw2 s VAL 56 N 0.62 1.40 -0.28 3.14 1.01 0.78 -0.26 120.40 126.81 2bw2 s VAL 56 Ca -0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2bw2 s VAL 56 Cb -0.08 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.14 2bw2 s VAL 56 CO -0.02 0.40 -0.00 -0.22 0.00 0.00 0.00 175.10 175.26 2bw2 s LEU 57 N -0.06 3.64 0.06 3.92 2.96 0.73 -1.04 118.68 128.90 2bw2 s LEU 57 Ca -0.01 -1.01 0.09 0.00 -0.22 0.00 0.00 54.13 52.98 2bw2 s LEU 57 Cb -0.10 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2bw2 s LEU 57 CO 0.01 -0.20 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.23 2bw2 s PHE 58 N 1.34 2.35 -0.04 5.38 0.08 -0.73 -0.63 117.98 125.72 2bw2 s PHE 58 Ca -0.01 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.69 2bw2 s PHE 58 Cb -0.18 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2bw2 s PHE 58 CO -0.01 0.18 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.15 2bw2 s ARG 59 N -1.43 1.63 -0.15 0.44 1.70 -0.09 -0.74 118.95 120.32 2bw2 s ARG 59 Ca 0.13 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 2bw2 s ARG 59 Cb -0.10 -1.44 0.01 0.00 -0.57 0.00 0.00 34.95 32.85 2bw2 s ARG 59 CO 0.03 0.23 -0.20 0.21 -1.08 0.00 0.00 175.30 174.49 2bw2 s LYS 60 N 0.03 2.87 0.18 3.89 2.47 0.86 0.20 119.74 130.25 2bw2 s LYS 60 Ca -0.03 -0.80 0.10 0.00 -1.56 0.00 0.00 55.97 53.69 2bw2 s LYS 60 Cb -0.11 -2.38 -0.04 0.00 -1.46 0.00 0.00 37.83 33.84 2bw2 s LYS 60 CO 0.02 -0.08 -0.22 1.14 0.16 0.00 0.00 175.35 176.36 2bw2 s GLN 61 N 1.00 1.43 0.18 4.03 -2.07 -1.26 -2.05 119.66 120.91 2bw2 s GLN 61 Ca -0.03 -1.47 0.03 0.00 -1.82 0.00 0.00 55.36 52.07 2bw2 s GLN 61 Cb -0.15 -1.68 -0.05 0.00 -1.09 0.00 0.00 33.01 30.04 2bw2 s GLN 61 CO -0.05 0.36 -0.03 -1.64 -1.32 0.00 0.00 175.29 172.60 2bw2 s MET 62 N -2.65 1.15 -1.24 9.60 -1.94 -1.18 -4.92 119.30 118.13 2bw2 s MET 62 Ca 0.18 -1.54 -0.13 0.00 -1.71 0.00 0.00 55.69 52.49 2bw2 s MET 62 Cb -0.07 -0.48 0.16 0.00 2.01 0.00 0.00 34.83 36.45 2bw2 s MET 62 CO 0.09 -0.05 1.59 -0.40 -0.01 0.00 0.00 175.02 176.23 2bw2 n ASP 63 N -0.27 5.16 -3.51 3.03 5.75 -1.26 -4.68 116.55 120.77 2bw2 n ASP 63 Ca -0.07 -3.01 -0.09 0.00 -0.01 0.00 0.00 54.79 51.61 2bw2 n ASP 63 Cb 0.62 -1.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.14 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bw2 s ASP 64 N 2.34 -0.40 0.44 -1.12 2.15 -1.26 -5.02 116.67 113.80 2bw2 s ASP 64 Ca 0.43 -0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.45 2bw2 s ASP 64 Cb 0.01 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.10 2bw2 s ASP 64 CO 0.01 -0.74 0.57 0.27 -0.17 0.00 0.00 175.17 175.11 2bw2 s ILE 65 N -3.30 2.85 0.33 4.11 -4.36 -1.26 -3.41 121.20 116.16 2bw2 s ILE 65 Ca 0.05 -1.04 -0.29 0.00 -0.26 0.00 0.00 60.65 59.10 2bw2 s ILE 65 Cb -0.01 -2.89 -0.11 0.00 1.25 0.00 0.00 42.46 40.69 2bw2 s ILE 65 CO -0.09 0.00 1.56 -0.94 0.24 0.00 0.00 174.94 175.71 2bw2 s SER 66 N -4.36 6.35 0.11 4.36 1.04 -1.26 -4.93 113.70 115.00 2bw2 s SER 66 Ca 0.55 3.01 -0.21 0.00 0.48 0.00 0.00 55.95 59.77 2bw2 s SER 66 Cb -0.09 -2.65 -0.08 0.00 0.10 0.00 0.00 66.02 63.30 2bw2 s SER 66 CO 0.33 -0.91 1.73 1.55 0.98 0.00 0.00 173.24 176.92 2bw2 h PRO 67 N 4.08 0.05 -0.33 4.02 0.13 -2.00 -2.84 132.00 135.12 2bw2 h PRO 67 Ca -0.49 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 2bw2 h PRO 67 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2bw2 h PRO 67 CO 0.73 0.03 -0.29 1.25 -0.23 0.00 0.00 178.00 179.50 2bw2 h LEU 68 N 0.05 0.70 -2.19 1.56 7.12 -2.01 -2.22 115.31 118.32 2bw2 h LEU 68 Ca 0.05 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.78 2bw2 h LEU 68 Cb 0.05 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 39.99 2bw2 h LEU 68 CO -0.08 0.95 -0.05 0.28 -0.13 0.00 0.00 178.44 179.41 2bw2 h SER 69 N 0.58 0.00 0.65 1.25 0.02 -1.91 0.08 113.55 114.23 2bw2 h SER 69 Ca 0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2bw2 h SER 69 Cb 0.79 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2bw2 h SER 69 CO 0.06 0.05 -0.60 0.11 -1.14 0.00 0.00 176.83 175.31 2bw2 h LYS 70 N 0.00 0.00 -0.06 3.45 1.57 -1.16 0.51 116.57 120.87 2bw2 h LYS 70 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2bw2 h LYS 70 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2bw2 h LYS 70 CO 0.01 0.60 -0.80 -0.39 -0.57 0.00 0.00 179.45 178.30 2bw2 h VAL 71 N 0.00 1.37 0.01 0.50 -1.51 -1.01 -3.18 116.25 112.44 2bw2 h VAL 71 Ca -0.01 -2.21 -0.02 0.00 -1.23 0.00 0.00 66.70 63.24 2bw2 h VAL 71 Cb 1.09 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2bw2 h VAL 71 CO 0.08 0.67 -0.08 -1.13 -1.23 0.00 0.00 177.57 175.88 2bw2 h ASN 72 N 0.29 0.04 -5.11 4.19 -0.73 -1.50 -3.49 115.58 109.27 2bw2 h ASN 72 Ca -0.05 -0.99 -0.03 0.00 1.87 0.00 0.00 56.30 57.10 2bw2 h ASN 72 Cb 1.39 -0.01 0.02 0.00 0.27 0.00 0.00 38.32 39.99 2bw2 h ASN 72 CO 0.14 1.04 -0.11 0.61 -0.37 0.00 0.00 177.43 178.74 2bw2 n GLY 73 N 1.61 -1.11 3.20 1.57 0.00 0.18 -4.77 105.19 105.88 2bw2 n GLY 73 Ca -0.10 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.05 -0.25 -0.02 1.61 1.51 -1.22 -1.53 117.35 114.41 2bw2 s TYR 74 Ca 0.06 0.54 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 2bw2 s TYR 74 Cb -0.01 0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.91 2bw2 s TYR 74 CO 0.66 -0.26 -0.20 0.42 -1.11 0.00 0.00 175.55 175.06 2bw2 s ILE 75 N -0.52 2.57 -0.35 2.71 1.01 -1.25 -4.07 121.20 121.29 2bw2 s ILE 75 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.63 2bw2 s ILE 75 Cb -0.04 -1.98 0.10 0.00 0.01 0.00 0.00 42.46 40.56 2bw2 s ILE 75 CO 0.02 0.53 0.09 -0.83 0.00 0.00 0.00 174.94 174.75 2bw2 s GLY 76 N -0.82 1.74 -0.19 6.18 0.00 0.82 -3.27 107.32 111.77 2bw2 s GLY 76 Ca 0.11 -2.38 -0.06 0.00 0.00 0.00 0.00 44.72 42.40 2bw2 s GLY 76 CO 0.01 1.15 0.02 0.14 0.00 0.00 0.00 173.10 174.42 2bw2 s VAL 77 N 0.97 4.23 0.43 1.40 1.01 -1.05 -2.00 120.40 125.39 2bw2 s VAL 77 Ca 0.11 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2bw2 s VAL 77 Cb -0.19 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2bw2 s VAL 77 CO -0.11 0.44 0.60 -0.44 0.00 0.00 0.00 175.10 175.58 2bw2 s SER 78 N 0.77 5.68 0.54 3.32 0.01 -0.95 -3.77 113.70 119.30 2bw2 s SER 78 Ca 0.01 -0.21 0.33 0.00 1.31 0.00 0.00 55.95 57.40 2bw2 s SER 78 Cb -0.14 -0.94 1.51 0.00 0.21 0.00 0.00 66.02 66.66 2bw2 s SER 78 CO 0.02 -0.75 1.86 0.44 0.41 0.00 0.00 173.24 175.23 2bw2 h ASP 79 N 0.56 0.00 -0.25 2.44 5.19 -1.92 0.49 116.42 122.93 2bw2 h ASP 79 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2bw2 h ASP 79 Cb 1.27 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2bw2 h ASP 79 CO 0.50 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.21 2bw2 n ASN 80 N -4.24 2.13 -0.73 6.45 3.02 -1.26 -4.65 115.26 115.97 2bw2 n ASN 80 Ca 0.21 -2.17 -0.05 0.00 -0.03 0.00 0.00 54.58 52.54 2bw2 n ASN 80 Cb 1.05 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.62 0.26 3.61 7.41 0.00 0.17 -2.64 105.19 114.61 2bw2 n GLY 81 Ca 0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.44 3.83 -0.06 1.61 1.01 -1.00 -0.44 120.40 122.90 2bw2 s VAL 82 Ca 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 2bw2 s VAL 82 Cb -0.01 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2bw2 s VAL 82 CO 0.04 -0.63 1.80 -0.38 0.00 0.00 0.00 175.10 175.94 2bw2 n ILE 83 N 6.99 1.96 -2.55 2.22 2.08 0.37 -2.24 119.36 128.20 2bw2 n ILE 83 Ca 0.18 -0.63 -0.22 0.00 0.56 0.00 0.00 62.75 62.64 2bw2 n ILE 83 Cb 0.47 -1.35 0.04 0.00 -0.75 0.00 0.00 39.64 38.06 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2bw2 s SER 84 N 1.42 5.18 -0.04 4.38 1.04 -0.85 -3.63 113.70 121.20 2bw2 s SER 84 Ca 0.07 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.59 2bw2 s SER 84 Cb 0.05 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.23 2bw2 s SER 84 CO 0.00 -1.24 -0.06 0.42 0.98 0.00 0.00 173.24 173.34 2bw2 s THR 85 N -2.86 3.74 0.20 2.02 -4.23 -1.26 -0.13 115.64 113.12 2bw2 s THR 85 Ca 0.58 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2bw2 s THR 85 Cb -0.10 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 2bw2 s THR 85 CO 0.40 0.50 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.53 2bw2 s PHE 86 N -0.91 1.56 -0.56 3.99 0.40 -1.26 -1.54 117.98 119.67 2bw2 s PHE 86 Ca 0.15 -0.74 -0.17 0.00 -0.60 0.00 0.00 56.93 55.57 2bw2 s PHE 86 Cb -0.11 -0.81 0.11 0.00 0.51 0.00 0.00 43.02 42.72 2bw2 s PHE 86 CO 0.04 0.16 0.59 -3.38 0.70 0.00 0.00 175.22 173.33 2bw2 s HIS 87 N -3.21 3.13 0.00 0.36 -3.43 -1.26 -4.43 115.29 106.45 2bw2 s HIS 87 Ca 0.23 -1.07 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 2bw2 s HIS 87 Cb 0.03 -3.83 0.00 0.00 -1.43 0.00 0.00 32.58 27.35 2bw2 s HIS 87 CO 0.06 -1.12 0.00 0.41 -2.00 0.00 0.00 174.74 172.08 2bw2 n GLY 88 N 5.26 -1.82 3.58 -1.38 0.00 -1.26 -4.83 105.19 104.73 2bw2 n GLY 88 Ca -0.11 -1.80 -0.51 0.00 0.00 0.00 0.00 46.02 43.59 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw2 n ARG 89 N 0.00 1.05 -2.65 1.61 5.12 -1.26 -4.85 116.66 115.69 2bw2 n ARG 89 Ca 0.00 0.38 -0.42 0.00 -1.93 0.00 0.00 57.85 55.88 2bw2 n ARG 89 Cb 0.00 -1.94 -0.03 0.00 -1.16 0.00 0.00 32.46 29.33 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 0.06 3.47 0.14 5.56 0.04 -1.26 -4.69 135.00 138.32 2bw2 s PRO 90 Ca 0.80 -1.02 -0.02 0.00 0.04 0.00 0.00 61.00 60.79 2bw2 s PRO 90 Cb -0.93 -4.94 -0.03 0.00 0.04 0.00 0.00 34.50 28.63 2bw2 s PRO 90 CO 0.50 -2.09 0.10 -1.83 0.04 0.00 0.00 177.00 173.73 2bw2 s GLU 91 N 4.66 0.99 0.30 4.56 -1.05 -1.26 -4.74 118.70 122.16 2bw2 s GLU 91 Ca 0.39 -1.41 0.25 0.00 -0.15 0.00 0.00 54.97 54.06 2bw2 s GLU 91 Cb -0.04 0.27 1.05 0.00 -0.44 0.00 0.00 34.13 34.97 2bw2 s GLU 91 CO -0.03 -0.30 1.75 -1.00 0.95 0.00 0.00 175.26 176.63 2bw2 h PRO 92 N 2.79 0.00 -0.29 -4.83 0.13 -2.02 0.01 132.00 127.77 2bw2 h PRO 92 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2bw2 h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 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 -1.82 2.47 -2.49 -0.56 0.00 -1.26 -4.81 120.51 112.05 2bw2 n ALA 93 Ca 0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 2bw2 n ALA 93 Cb 0.23 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.26 3.70 -0.25 0.00 0.15 -0.01 -5.12 113.70 110.90 2bw2 s SER 94 Ca 0.29 -0.99 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 2bw2 s SER 94 Cb 0.15 -0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2bw2 s SER 94 CO 0.22 0.04 0.15 -1.61 1.20 0.00 0.00 173.24 173.24 2bw2 s GLU 95 N -3.53 3.96 0.15 5.44 2.02 -1.26 -4.74 118.70 120.74 2bw2 s GLU 95 Ca 0.30 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 2bw2 s GLU 95 Cb -0.05 -3.54 -0.07 0.00 0.10 0.00 0.00 34.13 30.57 2bw2 s GLU 95 CO 0.16 -0.06 1.11 -1.25 0.02 0.00 0.00 175.26 175.24 2bw2 s PRO 96 N 1.38 4.56 0.15 0.39 0.04 -1.26 -4.13 135.00 136.13 2bw2 s PRO 96 Ca 0.07 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2bw2 s PRO 96 Cb -0.15 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2bw2 s PRO 96 CO 0.07 0.00 1.36 0.82 0.04 0.00 0.00 177.00 179.29 2bw2 h ILE 97 N 3.93 1.42 -2.00 0.56 2.04 -1.65 -3.48 117.51 118.32 2bw2 h ILE 97 Ca -0.44 -2.40 0.06 0.00 1.00 0.00 0.00 64.86 63.09 2bw2 h ILE 97 Cb 1.21 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 2bw2 h ILE 97 CO 0.74 0.71 0.25 0.00 0.00 0.00 0.00 178.15 179.85 2bw2 n GLN 98 N -3.75 0.28 -3.72 2.37 0.00 -1.26 -4.90 117.38 106.41 2bw2 n GLN 98 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 57.00 56.19 2bw2 n GLN 98 Cb 0.79 0.86 -0.13 0.00 0.00 0.00 0.00 30.24 31.76 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 -2.03 -0.20 0.00 2.61 1.04 -1.26 -4.19 113.70 109.68 2bw2 s SER 99 Ca 0.10 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2bw2 s SER 99 Cb -0.01 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2bw2 s SER 99 CO 0.02 -0.18 0.00 0.49 0.98 0.00 0.00 173.24 174.56 2bw2 n PHE 100 N 4.36 0.00 -4.38 5.02 3.72 -1.24 -4.95 117.46 120.00 2bw2 n PHE 100 Ca -0.23 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 56.95 2bw2 n PHE 100 Cb 0.53 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.98 1.72 -0.15 1.38 0.08 -1.26 -4.94 117.98 113.83 2bw2 s PHE 101 Ca 0.00 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 55.60 2bw2 s PHE 101 Cb 0.00 -0.91 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2bw2 s PHE 101 CO 0.00 -0.58 -0.13 -0.65 -0.10 0.00 0.00 175.22 173.76 2bw2 s GLN 102 N -3.64 2.16 0.22 0.44 -0.21 -1.23 -0.48 119.66 116.93 2bw2 s GLN 102 Ca 0.33 -0.53 0.11 0.00 0.02 0.00 0.00 55.36 55.29 2bw2 s GLN 102 Cb 0.03 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 2bw2 s GLN 102 CO 0.20 -0.25 -0.20 0.96 -2.12 0.00 0.00 175.29 173.88 2bw2 s ILE 103 N 1.52 2.22 -0.48 1.08 -4.36 0.42 -3.41 121.20 118.18 2bw2 s ILE 103 Ca 0.05 -2.17 -0.28 0.00 -0.26 0.00 0.00 60.65 57.98 2bw2 s ILE 103 Cb -0.13 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2bw2 s ILE 103 CO -0.10 -0.32 1.57 -1.81 0.24 0.00 0.00 174.94 174.52 2bw2 s ASP 104 N -3.07 5.99 0.35 4.36 1.11 -1.26 -2.75 116.67 121.41 2bw2 s ASP 104 Ca 0.23 0.65 0.10 0.00 0.18 0.00 0.00 52.55 53.72 2bw2 s ASP 104 Cb -0.05 -2.54 0.66 0.00 1.07 0.00 0.00 42.92 42.06 2bw2 s ASP 104 CO 0.11 -1.75 1.81 -0.07 1.18 0.00 0.00 175.17 176.44 2bw2 h LEU 105 N 13.55 0.10 -0.98 1.23 3.38 -1.88 -0.26 115.31 130.47 2bw2 h LEU 105 Ca -0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2bw2 h LEU 105 Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 105 CO 1.13 0.44 0.00 1.05 0.09 0.00 0.00 178.44 181.15 2bw2 h GLU 106 N 0.09 0.00 0.00 1.13 4.11 -1.93 -1.16 114.58 116.83 2bw2 h GLU 106 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2bw2 h GLU 106 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2bw2 h GLU 106 CO 0.05 0.00 -1.00 2.89 0.07 0.00 0.00 179.01 181.01 2bw2 n ARG 107 N -2.38 0.29 -1.65 1.06 1.85 -0.14 -4.87 116.66 110.83 2bw2 n ARG 107 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.52 2bw2 n ARG 107 Cb 0.21 -1.60 0.07 0.00 -1.05 0.00 0.00 32.46 30.08 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 -3.97 3.43 -0.10 2.89 2.01 -0.44 -5.04 118.68 117.47 2bw2 s LEU 108 Ca 0.04 2.33 0.02 0.00 0.01 0.00 0.00 54.13 56.53 2bw2 s LEU 108 Cb 0.14 -4.59 -0.02 0.00 0.01 0.00 0.00 46.19 41.74 2bw2 s LEU 108 CO 0.80 -1.99 -0.15 -1.83 1.01 0.00 0.00 176.35 174.19 2bw2 s GLU 109 N -3.75 3.04 2.03 1.70 -1.05 -1.26 -4.98 118.70 114.43 2bw2 s GLU 109 Ca 0.75 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 2bw2 s GLU 109 Cb -0.29 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 30.91 2bw2 s GLU 109 CO 0.41 0.34 0.00 0.45 0.95 0.00 0.00 175.26 177.41 2bw2 n SER 110 N 3.13 -1.43 0.00 0.83 2.88 -1.26 -3.93 113.62 113.84 2bw2 n SER 110 Ca -0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.39 2bw2 n SER 110 Cb 0.53 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.10 2bw2 n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bw2 n HIS 111 N -0.24 0.00 -0.26 0.66 1.44 -1.26 -3.91 115.22 111.66 2bw2 n HIS 111 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2bw2 n HIS 111 Cb 0.00 -0.43 -0.04 0.00 0.12 0.00 0.00 29.99 29.64 2bw2 n HIS 111 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2bw2 h MET 112 N 0.00 -0.17 -0.72 -1.40 2.07 -1.97 0.20 114.93 112.94 2bw2 h MET 112 Ca 0.00 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.61 2bw2 h MET 112 Cb 0.07 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 2bw2 h MET 112 CO 0.00 -0.11 0.32 -0.56 1.07 0.00 0.00 176.91 177.63 2bw2 h GLN 113 N -0.17 1.04 -0.46 1.72 3.07 -1.85 -2.47 115.11 115.98 2bw2 h GLN 113 Ca 0.19 -0.15 -0.09 0.00 0.09 0.00 0.00 58.65 58.69 2bw2 h GLN 113 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2bw2 h GLN 113 CO -0.77 0.82 -0.07 0.87 0.09 0.00 0.00 178.83 179.77 2bw2 h LYS 114 N 1.02 0.81 -0.44 0.06 1.79 -1.26 -1.47 116.57 117.09 2bw2 h LYS 114 Ca 0.25 -0.25 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2bw2 h LYS 114 Cb 0.14 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2bw2 h LYS 114 CO -0.03 0.86 0.09 -0.91 -1.08 0.00 0.00 179.45 178.38 2bw2 h ASN 115 N 0.74 0.62 0.86 0.86 4.21 -0.26 -1.19 115.58 121.43 2bw2 h ASN 115 Ca 0.13 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.42 2bw2 h ASN 115 Cb 0.55 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 2bw2 h ASN 115 CO 0.03 0.63 -0.57 -0.07 -1.29 0.00 0.00 177.43 176.16 2bw2 h LEU 116 N 0.65 0.00 -0.83 1.61 3.38 -1.06 -0.89 115.31 118.17 2bw2 h LEU 116 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2bw2 h LEU 116 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2bw2 h LEU 116 CO 0.00 0.57 -0.41 -0.07 0.09 0.00 0.00 178.44 178.62 2bw2 h LEU 117 N 0.00 0.38 0.13 1.67 3.38 -0.20 -2.59 115.31 118.08 2bw2 h LEU 117 Ca -0.01 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.52 2bw2 h LEU 117 Cb 1.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bw2 h LEU 117 CO 0.07 0.76 -1.28 0.11 0.09 0.00 0.00 178.44 178.19 2bw2 h LYS 118 N 0.30 0.28 0.00 1.13 6.56 -1.36 -3.37 116.57 120.11 2bw2 h LYS 118 Ca 0.03 -0.48 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2bw2 h LYS 118 Cb 0.86 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2bw2 h LYS 118 CO 0.07 1.22 0.00 0.41 -2.06 0.00 0.00 179.45 179.09 2bw2 n GLY 119 N 1.55 2.52 3.72 3.86 0.00 -0.34 -4.27 105.19 112.22 2bw2 n GLY 119 Ca -0.10 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.35 4.02 -1.28 -0.61 -1.09 -1.20 -4.79 121.20 114.89 2bw2 s ILE 120 Ca 0.00 1.47 0.26 0.00 -2.23 0.00 0.00 60.65 60.15 2bw2 s ILE 120 Cb 0.00 -3.94 0.37 0.00 -1.58 0.00 0.00 42.46 37.30 2bw2 s ILE 120 CO 0.00 0.13 1.85 -0.81 -1.23 0.00 0.00 174.94 174.88 2bw2 n PRO 121 N 3.79 0.24 -3.57 2.79 -0.04 -1.25 -3.38 135.00 133.58 2bw2 n PRO 121 Ca 0.08 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 2bw2 n PRO 121 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.72 -0.47 -0.19 0.54 5.36 -0.58 -4.70 117.98 115.21 2bw2 s PHE 122 Ca 0.20 0.87 -0.11 0.00 -0.96 0.00 0.00 56.93 56.94 2bw2 s PHE 122 Cb 0.17 0.42 0.06 0.00 -0.34 0.00 0.00 43.02 43.34 2bw2 s PHE 122 CO 0.42 -0.40 0.47 -0.98 -1.46 0.00 0.00 175.22 173.26 2bw2 s ARG 123 N -0.93 0.46 0.46 10.12 1.70 -1.26 -4.83 118.95 124.66 2bw2 s ARG 123 Ca -0.04 0.88 0.07 0.00 -0.47 0.00 0.00 55.73 56.17 2bw2 s ARG 123 Cb -0.01 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2bw2 s ARG 123 CO 0.03 -0.16 0.33 0.99 -1.08 0.00 0.00 175.30 175.41 2bw2 s THR 124 N 1.44 2.18 0.13 4.99 2.01 -1.26 -4.74 115.64 120.39 2bw2 s THR 124 Ca -0.10 -1.50 -0.16 0.00 0.31 0.00 0.00 61.69 60.24 2bw2 s THR 124 Cb -0.08 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2bw2 s THR 124 CO -0.14 0.00 1.68 0.50 -0.69 0.00 0.00 174.62 175.97 2bw2 h LYS 125 N 1.04 0.58 -0.02 4.92 3.11 -1.95 -0.30 116.57 123.95 2bw2 h LYS 125 Ca -0.40 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.24 2bw2 h LYS 125 Cb 1.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 2bw2 h LYS 125 CO 0.61 0.55 -0.42 0.00 -2.81 0.00 0.00 179.45 177.38 2bw2 h ALA 126 N 1.00 1.27 -0.12 5.00 0.00 -1.96 -0.92 119.26 123.52 2bw2 h ALA 126 Ca 0.13 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2bw2 h ALA 126 Cb 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bw2 h ALA 126 CO -0.01 0.54 -0.78 0.93 0.00 0.00 0.00 179.25 179.92 2bw2 h GLU 127 N 0.04 0.67 0.40 0.00 5.08 -1.88 -2.21 114.58 116.69 2bw2 h GLU 127 Ca 0.00 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 2bw2 h GLU 127 Cb 0.76 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2bw2 h GLU 127 CO 0.06 1.17 -0.19 0.35 -1.00 0.00 0.00 179.01 179.39 2bw2 h PHE 128 N 0.45 -0.50 0.00 4.33 3.04 -0.43 -0.93 116.94 122.90 2bw2 h PHE 128 Ca -0.05 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 2bw2 h PHE 128 Cb 1.40 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 40.07 2bw2 h PHE 128 CO 0.07 -0.25 -0.06 1.05 -2.02 0.00 0.00 178.31 177.10 2bw2 h GLU 129 N -0.65 0.00 -0.02 1.11 4.11 -1.21 0.20 114.58 118.11 2bw2 h GLU 129 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.30 2bw2 h GLU 129 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 129 CO 0.09 0.06 -0.26 0.22 0.07 0.00 0.00 179.01 179.19 2bw2 h ASP 130 N 0.00 0.27 -0.09 3.06 1.82 -1.18 -1.98 116.42 118.31 2bw2 h ASP 130 Ca -0.00 -0.72 -0.16 0.00 -0.39 0.00 0.00 57.03 55.76 2bw2 h ASP 130 Cb 0.41 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 2bw2 h ASP 130 CO 0.01 0.95 -0.50 1.62 -1.61 0.00 0.00 179.24 179.71 2bw2 h VAL 131 N -0.40 1.30 -0.35 2.25 3.04 -0.72 -3.11 116.25 118.27 2bw2 h VAL 131 Ca -0.03 -1.71 -0.08 0.00 -1.01 0.00 0.00 66.70 63.87 2bw2 h VAL 131 Cb 0.97 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 2bw2 h VAL 131 CO 0.05 0.54 -0.13 0.40 -1.01 0.00 0.00 177.57 177.42 2bw2 h ILE 132 N 0.52 1.25 0.00 3.17 5.03 -0.69 -1.79 117.51 125.00 2bw2 h ILE 132 Ca 0.02 -1.11 -0.06 0.00 -0.12 0.00 0.00 64.86 63.59 2bw2 h ILE 132 Cb 1.05 1.12 -0.01 0.00 -3.03 0.00 0.00 36.82 35.95 2bw2 h ILE 132 CO 0.10 0.37 -0.28 1.05 -0.68 0.00 0.00 178.15 178.71 2bw2 h GLU 133 N 0.56 0.00 -0.07 2.37 4.11 -1.31 0.38 114.58 120.62 2bw2 h GLU 133 Ca 0.10 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.32 2bw2 h GLU 133 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2bw2 h GLU 133 CO 0.03 0.28 -0.83 1.25 0.07 0.00 0.00 179.01 179.82 2bw2 h HIS 134 N 0.00 0.73 -0.17 2.06 2.76 -1.33 -2.37 115.15 116.84 2bw2 h HIS 134 Ca -0.00 -0.35 -0.04 0.00 -2.20 0.00 0.00 60.37 57.78 2bw2 h HIS 134 Cb 0.58 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2bw2 h HIS 134 CO 0.00 1.15 -0.05 0.52 -1.30 0.00 0.00 177.93 178.25 2bw2 h MET 135 N 0.34 0.33 0.00 5.26 2.86 -0.64 -3.03 114.93 120.05 2bw2 h MET 135 Ca -0.06 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2bw2 h MET 135 Cb 1.44 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.08 2bw2 h MET 135 CO 0.15 0.61 0.00 1.57 1.06 0.00 0.00 176.91 180.30 2bw2 h LYS 136 N 0.03 0.00 0.00 1.72 2.10 -0.96 0.30 116.57 119.76 2bw2 h LYS 136 Ca 0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2bw2 h LYS 136 Cb 0.50 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2bw2 h LYS 136 CO 0.02 0.00 -0.04 1.15 -2.00 0.00 0.00 179.45 178.57 2bw2 h THR 137 N 0.00 0.20 0.00 0.07 2.02 -1.29 -3.17 112.91 110.74 2bw2 h THR 137 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2bw2 h THR 137 Cb 0.52 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2bw2 h THR 137 CO 0.00 0.04 -0.56 -1.22 0.37 0.00 0.00 175.52 174.15 2bw2 n TYR 138 N -3.27 0.32 -1.24 3.16 4.01 0.00 -4.96 117.16 115.18 2bw2 n TYR 138 Ca -0.01 0.14 -0.10 0.00 -0.16 0.00 0.00 57.90 57.76 2bw2 n TYR 138 Cb 0.21 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 2bw2 n TYR 138 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2bw2 n SER 139 N -3.96 -3.27 0.00 7.72 7.64 -0.64 -4.94 113.62 116.17 2bw2 n SER 139 Ca -0.08 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2bw2 n SER 139 Cb 0.29 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64