#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 1.37 0.57 0.00 -1.05 -1.26 -5.13 118.70 113.20 2bw2 s GLU 2 Ca 0.00 -1.51 -0.18 0.00 -0.15 0.00 0.00 54.97 53.13 2bw2 s GLU 2 Cb 0.00 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2bw2 s GLU 2 CO 0.00 -0.50 1.13 0.14 0.95 0.00 0.00 175.26 176.98 2bw2 s VAL 3 N -4.05 3.13 -0.23 1.83 -7.23 -1.26 -4.96 120.40 107.63 2bw2 s VAL 3 Ca 0.33 0.66 -0.21 0.00 -1.81 0.00 0.00 61.98 60.95 2bw2 s VAL 3 Cb 0.04 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 2bw2 s VAL 3 CO 0.12 -0.19 0.66 -1.61 -0.31 0.00 0.00 175.10 173.76 2bw2 s GLU 4 N -3.47 4.16 0.62 4.82 2.02 -1.26 -5.03 118.70 120.56 2bw2 s GLU 4 Ca 0.72 0.62 -0.04 0.00 0.02 0.00 0.00 54.97 56.29 2bw2 s GLU 4 Cb -0.24 -3.62 0.04 0.00 0.10 0.00 0.00 34.13 30.41 2bw2 s GLU 4 CO 0.31 -0.37 0.90 -3.38 0.02 0.00 0.00 175.26 172.74 2bw2 s HIS 5 N 2.34 3.00 -0.83 1.61 -3.43 -1.26 -4.98 115.29 111.73 2bw2 s HIS 5 Ca 0.28 0.35 0.27 0.00 -0.80 0.00 0.00 55.06 55.16 2bw2 s HIS 5 Cb -0.16 -2.91 0.83 0.00 -1.43 0.00 0.00 32.58 28.91 2bw2 s HIS 5 CO 0.09 -1.06 1.70 0.66 -2.00 0.00 0.00 174.74 174.13 2bw2 n TYR 6 N -2.63 0.46 -2.61 0.38 4.01 -1.26 -4.73 117.16 110.78 2bw2 n TYR 6 Ca 0.07 0.13 -0.43 0.00 -0.16 0.00 0.00 57.90 57.51 2bw2 n TYR 6 Cb 0.59 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 2bw2 n TYR 6 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2bw2 s GLU 7 N -3.07 3.75 0.63 -0.72 2.02 -1.26 -5.00 118.70 115.04 2bw2 s GLU 7 Ca 0.11 0.59 -0.14 0.00 0.02 0.00 0.00 54.97 55.56 2bw2 s GLU 7 Cb 0.15 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2bw2 s GLU 7 CO 0.61 -1.33 1.05 -1.25 0.02 0.00 0.00 175.26 174.36 2bw2 s PRO 8 N 4.36 3.24 -0.25 0.39 0.04 -1.26 -4.86 135.00 136.65 2bw2 s PRO 8 Ca 0.47 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 2bw2 s PRO 8 Cb -0.08 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2bw2 s PRO 8 CO 0.30 -0.87 0.10 -1.17 0.04 0.00 0.00 177.00 175.41 2bw2 s LEU 9 N -4.90 3.62 -0.74 -3.56 1.98 0.18 -4.84 118.68 110.42 2bw2 s LEU 9 Ca 0.61 -0.14 -0.26 0.00 -2.89 0.00 0.00 54.13 51.45 2bw2 s LEU 9 Cb -0.14 -1.98 0.04 0.00 0.66 0.00 0.00 46.19 44.77 2bw2 s LEU 9 CO 0.44 -0.03 1.20 -1.10 -1.89 0.00 0.00 176.35 174.98 2bw2 s GLN 10 N 1.58 3.19 -0.26 1.98 -0.21 -1.26 -0.66 119.66 124.02 2bw2 s GLN 10 Ca 0.06 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.84 2bw2 s GLN 10 Cb -0.15 -4.26 -0.04 0.00 1.00 0.00 0.00 33.01 29.56 2bw2 s GLN 10 CO 0.05 -2.06 0.36 0.08 -2.12 0.00 0.00 175.29 171.60 2bw2 s VAL 11 N 5.22 5.19 -0.36 1.09 1.01 0.59 -4.58 120.40 128.55 2bw2 s VAL 11 Ca 0.32 0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 2bw2 s VAL 11 Cb -0.10 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2bw2 s VAL 11 CO 0.12 0.17 0.36 -2.28 0.00 0.00 0.00 175.10 173.47 2bw2 s HIS 12 N 1.97 3.21 -0.11 5.22 2.46 0.53 -0.34 115.29 128.23 2bw2 s HIS 12 Ca 0.15 -0.14 -0.04 0.00 0.47 0.00 0.00 55.06 55.50 2bw2 s HIS 12 Cb -0.16 -2.68 -0.04 0.00 -0.13 0.00 0.00 32.58 29.58 2bw2 s HIS 12 CO 0.10 -0.48 0.03 0.14 -2.47 0.00 0.00 174.74 172.06 2bw2 s VAL 13 N 1.99 4.58 -0.40 0.89 -7.23 0.10 -0.40 120.40 119.92 2bw2 s VAL 13 Ca 0.11 -0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.05 2bw2 s VAL 13 Cb -0.17 -2.97 0.07 0.00 0.56 0.00 0.00 36.38 33.87 2bw2 s VAL 13 CO 0.12 0.58 0.23 -1.58 -0.31 0.00 0.00 175.10 174.14 2bw2 s GLN 14 N -0.63 2.61 -0.46 4.82 0.74 -0.27 -1.38 119.66 125.10 2bw2 s GLN 14 Ca 0.11 -1.40 -0.17 0.00 0.05 0.00 0.00 55.36 53.95 2bw2 s GLN 14 Cb -0.12 -3.73 0.04 0.00 1.10 0.00 0.00 33.01 30.30 2bw2 s GLN 14 CO 0.02 -0.90 0.45 -0.51 -0.55 0.00 0.00 175.29 173.81 2bw2 s LEU 15 N 1.43 5.14 0.11 3.68 1.43 0.12 -0.97 118.68 129.62 2bw2 s LEU 15 Ca 0.02 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 2bw2 s LEU 15 Cb -0.22 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 2bw2 s LEU 15 CO 0.02 -0.66 0.45 -1.61 0.23 0.00 0.00 176.35 174.79 2bw2 s GLU 16 N 2.06 3.82 -0.32 1.70 2.02 0.30 -0.47 118.70 127.82 2bw2 s GLU 16 Ca 0.10 0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.34 2bw2 s GLU 16 Cb -0.20 -2.94 0.10 0.00 0.10 0.00 0.00 34.13 31.19 2bw2 s GLU 16 CO 0.11 0.51 0.10 0.15 0.02 0.00 0.00 175.26 176.15 2bw2 s LYS 17 N -2.03 0.77 -0.65 1.61 1.02 -0.29 0.15 119.74 120.32 2bw2 s LYS 17 Ca 0.36 -1.15 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 2bw2 s LYS 17 Cb -0.14 -2.06 0.10 0.00 -0.52 0.00 0.00 37.83 35.21 2bw2 s LYS 17 CO 0.19 -0.99 0.80 0.08 -0.92 0.00 0.00 175.35 174.51 2bw2 s VAL 18 N 1.54 4.75 0.66 3.17 1.01 -1.00 -1.86 120.40 128.66 2bw2 s VAL 18 Ca 0.10 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2bw2 s VAL 18 Cb -0.18 -4.56 -0.00 0.00 0.00 0.00 0.00 36.38 31.65 2bw2 s VAL 18 CO -0.23 -1.23 1.04 -0.31 0.00 0.00 0.00 175.10 174.36 2bw2 s TYR 19 N 2.85 3.39 0.38 5.22 1.51 -1.25 -3.94 117.35 125.52 2bw2 s TYR 19 Ca 0.16 1.02 0.17 0.00 -1.01 0.00 0.00 57.07 57.41 2bw2 s TYR 19 Cb -0.20 -2.91 0.96 0.00 -0.11 0.00 0.00 41.96 39.70 2bw2 s TYR 19 CO 0.05 -0.98 1.92 -0.07 -1.11 0.00 0.00 175.55 175.36 2bw2 h LEU 20 N -0.47 0.00 -0.90 -1.29 4.07 -1.30 -2.45 115.31 112.98 2bw2 h LEU 20 Ca -0.45 0.00 0.17 0.00 0.08 0.00 0.00 57.88 57.68 2bw2 h LEU 20 Cb 1.24 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.88 2bw2 h LEU 20 CO 0.63 0.26 0.47 -0.78 -1.08 0.00 0.00 178.44 177.94 2bw2 h ASP 21 N 0.00 0.56 0.00 -0.43 3.58 -1.76 -3.46 116.42 114.90 2bw2 h ASP 21 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2bw2 h ASP 21 Cb 0.52 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2bw2 h ASP 21 CO 0.03 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 2bw2 n GLY 22 N -1.33 1.27 3.63 -0.78 0.00 -0.92 -4.71 105.19 102.35 2bw2 n GLY 22 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.07 6.67 -0.26 1.61 2.15 -1.26 -4.65 116.67 119.86 2bw2 s ASP 23 Ca 0.00 1.07 -0.17 0.00 0.43 0.00 0.00 52.55 53.88 2bw2 s ASP 23 Cb 0.00 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2bw2 s ASP 23 CO 0.00 -1.10 0.46 -0.69 -0.17 0.00 0.00 175.17 173.67 2bw2 s VAL 24 N 4.38 5.11 -0.11 1.11 1.01 -1.26 -3.85 120.40 126.79 2bw2 s VAL 24 Ca 0.54 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 2bw2 s VAL 24 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2bw2 s VAL 24 CO 0.24 0.12 1.09 -0.44 0.00 0.00 0.00 175.10 176.11 2bw2 s SER 25 N 1.52 7.15 -0.36 3.32 0.01 -0.78 -4.81 113.70 119.75 2bw2 s SER 25 Ca 0.19 1.61 -0.11 0.00 1.31 0.00 0.00 55.95 58.95 2bw2 s SER 25 Cb -0.16 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.54 2bw2 s SER 25 CO 0.09 -0.54 0.21 -0.63 0.41 0.00 0.00 173.24 172.78 2bw2 s ILE 26 N 2.33 4.68 -0.15 1.44 -1.09 -1.26 -1.13 121.20 126.02 2bw2 s ILE 26 Ca 0.50 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 2bw2 s ILE 26 Cb -0.20 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2bw2 s ILE 26 CO 0.17 -0.18 -0.11 -0.70 -1.23 0.00 0.00 174.94 172.90 2bw2 s GLU 27 N 1.58 3.40 -0.18 2.79 2.12 0.38 -4.97 118.70 123.82 2bw2 s GLU 27 Ca 0.03 -0.66 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 2bw2 s GLU 27 Cb -0.19 -2.72 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 2bw2 s GLU 27 CO 0.07 0.14 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.81 2bw2 s HIS 28 N 0.56 2.87 0.09 5.30 3.76 -1.26 0.11 115.29 126.72 2bw2 s HIS 28 Ca -0.07 -0.97 0.04 0.00 -0.15 0.00 0.00 55.06 53.91 2bw2 s HIS 28 Cb -0.15 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2bw2 s HIS 28 CO 0.03 -0.48 -0.11 0.15 -0.85 0.00 0.00 174.74 173.49 2bw2 s LYS 29 N 1.05 0.82 -0.16 1.40 1.02 -0.48 -4.98 119.74 118.41 2bw2 s LYS 29 Ca -0.00 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2bw2 s LYS 29 Cb -0.15 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 2bw2 s LYS 29 CO -0.02 0.10 -0.16 -3.38 -0.92 0.00 0.00 175.35 170.97 2bw2 s HIS 30 N -2.11 2.38 -0.03 3.18 -3.43 -1.26 0.01 115.29 114.03 2bw2 s HIS 30 Ca 0.03 -1.35 0.02 0.00 -0.80 0.00 0.00 55.06 52.96 2bw2 s HIS 30 Cb -0.05 -1.70 0.00 0.00 -1.43 0.00 0.00 32.58 29.40 2bw2 s HIS 30 CO 0.01 -0.71 -0.09 -1.83 -2.00 0.00 0.00 174.74 170.12 2bw2 s GLU 31 N 1.37 1.04 -0.14 -0.38 -1.05 0.54 -4.91 118.70 115.17 2bw2 s GLU 31 Ca 0.04 -0.31 -0.28 0.00 -0.15 0.00 0.00 54.97 54.26 2bw2 s GLU 31 Cb -0.13 -0.96 -0.01 0.00 -0.44 0.00 0.00 34.13 32.59 2bw2 s GLU 31 CO -0.11 0.10 0.97 0.15 0.95 0.00 0.00 175.26 177.32 2bw2 s LYS 32 N 0.27 4.37 0.10 -4.83 1.02 -1.23 -0.30 119.74 119.12 2bw2 s LYS 32 Ca -0.05 1.30 0.10 0.00 0.02 0.00 0.00 55.97 57.35 2bw2 s LYS 32 Cb -0.10 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2bw2 s LYS 32 CO 0.01 -0.37 -0.26 0.14 -0.92 0.00 0.00 175.35 173.95 2bw2 s VAL 33 N 2.22 2.25 -0.18 3.17 -7.23 0.17 -4.82 120.40 115.98 2bw2 s VAL 33 Ca 0.45 -1.60 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2bw2 s VAL 33 Cb -0.17 -1.95 -0.22 0.00 0.56 0.00 0.00 36.38 34.60 2bw2 s VAL 33 CO 0.15 0.20 0.12 0.49 -0.31 0.00 0.00 175.10 175.75 2bw2 n PHE 34 N 1.25 0.64 -3.83 2.82 3.72 -1.26 0.47 117.46 121.27 2bw2 n PHE 34 Ca -0.17 0.14 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 2bw2 n PHE 34 Cb 0.53 -1.09 -0.13 0.00 -0.94 0.00 0.00 39.48 37.85 2bw2 n PHE 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2bw2 s SER 35 N -6.65 4.83 0.44 4.37 0.15 -1.26 -4.63 113.70 110.95 2bw2 s SER 35 Ca -0.26 -0.72 0.14 0.00 0.70 0.00 0.00 55.95 55.81 2bw2 s SER 35 Cb 0.08 -1.81 0.97 0.00 -1.71 0.00 0.00 66.02 63.55 2bw2 s SER 35 CO 0.71 -0.16 1.98 0.24 1.20 0.00 0.00 173.24 177.21 2bw2 h MET 36 N 8.16 0.02 -0.29 5.44 2.86 -1.99 -1.66 114.93 127.47 2bw2 h MET 36 Ca -0.33 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 2bw2 h MET 36 Cb 1.12 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 2bw2 h MET 36 CO 0.59 0.21 -0.12 0.22 1.06 0.00 0.00 176.91 178.87 2bw2 h ASP 37 N 0.02 0.48 0.25 1.22 3.58 -1.98 0.15 116.42 120.15 2bw2 h ASP 37 Ca 0.00 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 2bw2 h ASP 37 Cb 0.34 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 2bw2 h ASP 37 CO 0.02 0.64 -0.73 -0.78 -2.88 0.00 0.00 179.24 175.52 2bw2 h ASP 38 N 0.46 0.49 -0.38 2.28 3.58 -1.74 0.66 116.42 121.77 2bw2 h ASP 38 Ca 0.09 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2bw2 h ASP 38 Cb 0.49 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2bw2 h ASP 38 CO 0.03 1.06 0.21 0.15 -2.88 0.00 0.00 179.24 177.80 2bw2 h PHE 39 N 0.28 0.52 -0.53 0.28 3.57 -0.54 0.17 116.94 120.69 2bw2 h PHE 39 Ca -0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2bw2 h PHE 39 Cb 1.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2bw2 h PHE 39 CO 0.04 0.40 0.14 -1.49 -2.23 0.00 0.00 178.31 175.17 2bw2 h TRP 40 N 0.48 0.83 -0.19 0.41 -0.00 -0.40 -0.54 115.95 116.54 2bw2 h TRP 40 Ca 0.13 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.89 58.80 2bw2 h TRP 40 Cb 0.05 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.96 2bw2 h TRP 40 CO -0.03 0.69 -0.52 0.00 -0.00 0.00 0.00 178.44 178.59 2bw2 h ALA 41 N 1.37 0.74 -0.44 1.49 0.00 -0.53 0.22 119.26 122.11 2bw2 h ALA 41 Ca 0.18 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bw2 h ALA 41 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bw2 h ALA 41 CO -0.00 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 2bw2 h ALA 42 N 1.01 0.60 -0.44 0.00 0.00 0.04 -3.07 119.26 117.39 2bw2 h ALA 42 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bw2 h ALA 42 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bw2 h ALA 42 CO 0.10 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.50 2bw2 n TYR 43 N -4.28 1.29 -0.29 0.00 4.02 -0.28 -4.59 117.16 113.04 2bw2 n TYR 43 Ca -0.01 -0.74 0.28 0.00 -0.01 0.00 0.00 57.90 57.43 2bw2 n TYR 43 Cb 0.38 -0.31 0.64 0.00 -0.02 0.00 0.00 39.34 40.02 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 h ALA 44 N 2.89 2.67 0.00 -0.72 0.00 -0.46 0.30 119.26 123.94 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 1.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2bw2 h ALA 44 CO 0.27 -1.01 -0.11 0.78 0.00 0.00 0.00 179.25 179.17 2bw2 h GLY 45 N 0.17 0.00 -1.94 0.00 0.00 -1.84 -3.45 103.07 96.02 2bw2 h GLY 45 Ca 0.54 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.40 2bw2 h GLY 45 CO -0.13 0.00 0.32 -0.98 0.00 0.00 0.00 176.54 175.76 2bw2 s TRP 46 N -3.14 3.43 -0.28 5.60 0.52 0.09 -4.92 118.94 120.25 2bw2 s TRP 46 Ca 0.09 1.42 -0.23 0.00 0.02 0.00 0.00 56.10 57.39 2bw2 s TRP 46 Cb 0.11 -2.74 -0.00 0.00 -1.15 0.00 0.00 33.47 29.68 2bw2 s TRP 46 CO 0.63 -0.28 0.78 0.99 0.02 0.00 0.00 176.95 179.09 2bw2 s THR 47 N -2.50 4.84 -0.01 2.01 2.01 0.20 -4.84 115.64 117.35 2bw2 s THR 47 Ca 0.58 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 2bw2 s THR 47 Cb -0.10 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2bw2 s THR 47 CO 0.28 -0.14 1.33 -0.22 -0.69 0.00 0.00 174.62 175.18 2bw2 s LEU 48 N 2.85 4.31 -0.22 4.42 2.96 -1.26 -0.50 118.68 131.24 2bw2 s LEU 48 Ca 0.32 2.03 0.01 0.00 -0.22 0.00 0.00 54.13 56.28 2bw2 s LEU 48 Cb -0.15 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 2bw2 s LEU 48 CO 0.10 -0.67 -0.19 0.52 -1.32 0.00 0.00 176.35 174.79 2bw2 n VAL 49 N 4.59 1.23 -3.49 1.68 0.31 0.58 -4.96 118.33 118.27 2bw2 n VAL 49 Ca 0.12 -0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 2bw2 n VAL 49 Cb 0.44 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.99 -0.01 5.55 -1.05 -1.09 -5.01 118.70 115.65 2bw2 s GLU 50 Ca -0.29 -0.13 -0.04 0.00 -0.15 0.00 0.00 54.97 54.36 2bw2 s GLU 50 Cb 0.08 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 2bw2 s GLU 50 CO 0.49 -0.39 0.08 1.14 0.95 0.00 0.00 175.26 177.54 2bw2 s GLN 51 N -2.47 0.26 0.17 -4.83 -2.07 -1.26 -0.15 119.66 109.30 2bw2 s GLN 51 Ca -0.02 -0.16 -0.04 0.00 -1.82 0.00 0.00 55.36 53.32 2bw2 s GLN 51 Cb -0.01 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 2bw2 s GLN 51 CO -0.03 -0.05 0.18 -1.59 -1.32 0.00 0.00 175.29 172.47 2bw2 s LYS 52 N -0.65 1.12 -0.66 9.60 -2.85 0.39 -5.00 119.74 121.68 2bw2 s LYS 52 Ca -0.07 -1.40 -0.26 0.00 -1.00 0.00 0.00 55.97 53.24 2bw2 s LYS 52 Cb -0.04 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 2bw2 s LYS 52 CO 0.00 -0.37 1.93 0.21 0.10 0.00 0.00 175.35 177.22 2bw2 s LYS 53 N -4.05 2.55 0.00 1.78 2.47 -1.26 -1.94 119.74 119.28 2bw2 s LYS 53 Ca 0.26 0.49 0.00 0.00 -1.56 0.00 0.00 55.97 55.16 2bw2 s LYS 53 Cb 0.05 -4.55 0.00 0.00 -1.46 0.00 0.00 37.83 31.88 2bw2 s LYS 53 CO 0.05 -2.94 0.00 0.41 0.16 0.00 0.00 175.35 173.02 2bw2 n GLY 54 N 5.98 2.33 2.87 5.54 0.00 -1.26 -5.08 105.19 115.57 2bw2 n GLY 54 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.11 0.12 -0.04 1.61 6.14 -0.82 -0.35 117.35 121.90 2bw2 s TYR 55 Ca 0.00 -0.00 0.02 0.00 0.64 0.00 0.00 57.07 57.73 2bw2 s TYR 55 Cb 0.00 -0.11 0.01 0.00 0.42 0.00 0.00 41.96 42.27 2bw2 s TYR 55 CO 0.00 -0.02 -0.10 0.08 0.64 0.00 0.00 175.55 176.15 2bw2 s VAL 56 N 0.16 0.89 -0.28 3.14 1.01 0.46 -0.46 120.40 125.32 2bw2 s VAL 56 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2bw2 s VAL 56 Cb -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2bw2 s VAL 56 CO -0.00 0.28 0.09 -0.22 0.00 0.00 0.00 175.10 175.25 2bw2 s LEU 57 N 0.38 3.75 0.03 3.92 2.96 0.78 -1.11 118.68 129.39 2bw2 s LEU 57 Ca -0.07 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2bw2 s LEU 57 Cb -0.11 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2bw2 s LEU 57 CO 0.01 -0.13 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.34 2bw2 s PHE 58 N 1.57 1.83 -0.04 5.38 0.08 -0.14 -0.31 117.98 126.35 2bw2 s PHE 58 Ca 0.05 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.77 2bw2 s PHE 58 Cb -0.16 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 41.17 2bw2 s PHE 58 CO 0.04 0.06 -0.15 -0.98 -0.10 0.00 0.00 175.22 174.09 2bw2 s ARG 59 N -0.97 1.56 -0.23 0.44 1.70 0.34 -0.54 118.95 121.25 2bw2 s ARG 59 Ca 0.08 -0.52 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 2bw2 s ARG 59 Cb -0.09 -1.37 0.05 0.00 -0.57 0.00 0.00 34.95 32.98 2bw2 s ARG 59 CO 0.01 0.20 -0.11 0.21 -1.08 0.00 0.00 175.30 174.53 2bw2 s LYS 60 N 0.11 2.15 -0.67 3.89 2.47 0.12 0.59 119.74 128.40 2bw2 s LYS 60 Ca -0.04 -1.10 -0.17 0.00 -1.56 0.00 0.00 55.97 53.10 2bw2 s LYS 60 Cb -0.11 -2.68 0.15 0.00 -1.46 0.00 0.00 37.83 33.73 2bw2 s LYS 60 CO 0.02 -0.50 0.70 1.14 0.16 0.00 0.00 175.35 176.87 2bw2 s GLN 61 N 1.25 3.23 -0.00 4.03 0.00 -1.26 -2.37 119.66 124.54 2bw2 s GLN 61 Ca -0.05 -1.79 -0.30 0.00 -0.00 0.00 0.00 55.36 53.22 2bw2 s GLN 61 Cb -0.18 -4.38 -0.03 0.00 0.00 0.00 0.00 33.01 28.41 2bw2 s GLN 61 CO -0.07 -1.43 1.01 -1.64 0.00 0.00 0.00 175.29 173.16 2bw2 s MET 62 N 1.68 4.53 -1.18 9.60 -1.94 -1.25 -4.90 119.30 125.83 2bw2 s MET 62 Ca 0.13 1.47 -0.18 0.00 -1.71 0.00 0.00 55.69 55.39 2bw2 s MET 62 Cb -0.20 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.15 2bw2 s MET 62 CO -0.00 -0.11 2.03 -3.47 -0.01 0.00 0.00 175.02 173.46 2bw2 n ASP 63 N 4.04 3.49 -3.47 3.03 2.03 -1.26 -4.46 116.55 119.95 2bw2 n ASP 63 Ca 0.07 -2.78 -0.11 0.00 0.52 0.00 0.00 54.79 52.49 2bw2 n ASP 63 Cb 0.50 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2bw2 s ASP 64 N 4.25 0.25 -0.00 1.67 -1.08 -1.26 -4.99 116.67 115.51 2bw2 s ASP 64 Ca 0.53 -1.14 0.02 0.00 -0.52 0.00 0.00 52.55 51.45 2bw2 s ASP 64 Cb 0.11 0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 42.24 2bw2 s ASP 64 CO 0.02 -1.35 0.06 2.30 0.52 0.00 0.00 175.17 176.72 2bw2 n ILE 65 N -0.49 0.00 -0.02 4.11 -5.35 -1.26 -1.00 119.36 115.36 2bw2 n ILE 65 Ca -0.03 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2bw2 n ILE 65 Cb 0.61 0.67 -0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2bw2 n ILE 65 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2bw2 n SER 66 N -1.36 -0.09 0.17 7.28 7.64 -1.26 -4.38 113.62 121.62 2bw2 n SER 66 Ca -0.00 0.02 0.13 0.00 1.01 0.00 0.00 58.87 60.03 2bw2 n SER 66 Cb 0.04 0.33 0.57 0.00 -1.01 0.00 0.00 64.21 64.14 2bw2 n SER 66 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2bw2 h PRO 67 N -0.01 0.00 -0.32 1.43 0.13 -2.02 -3.10 132.00 128.11 2bw2 h PRO 67 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2bw2 h PRO 67 Cb 0.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 2bw2 h PRO 67 CO 0.00 0.00 0.08 1.25 -0.23 0.00 0.00 178.00 179.10 2bw2 h LEU 68 N 0.00 0.42 -2.05 1.56 7.12 -2.01 -1.34 115.31 119.01 2bw2 h LEU 68 Ca 0.00 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2bw2 h LEU 68 Cb 0.32 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2bw2 h LEU 68 CO 0.00 0.43 -0.01 0.28 -0.13 0.00 0.00 178.44 179.01 2bw2 h SER 69 N 0.45 0.00 1.24 1.25 0.02 -1.77 0.20 113.55 114.95 2bw2 h SER 69 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2bw2 h SER 69 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2bw2 h SER 69 CO -0.00 0.01 -0.38 0.11 -1.14 0.00 0.00 176.83 175.42 2bw2 h LYS 70 N 0.00 0.00 0.07 3.45 6.56 -1.46 -1.99 116.57 123.20 2bw2 h LYS 70 Ca -0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.29 2bw2 h LYS 70 Cb 0.01 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 2bw2 h LYS 70 CO 0.00 0.00 -1.64 -0.39 -2.06 0.00 0.00 179.45 175.36 2bw2 h VAL 71 N 0.00 0.78 0.00 0.50 -1.51 -0.91 -3.44 116.25 111.66 2bw2 h VAL 71 Ca 0.00 -2.27 -0.09 0.00 -1.23 0.00 0.00 66.70 63.10 2bw2 h VAL 71 Cb 0.81 2.39 -0.14 0.00 -2.13 0.00 0.00 31.29 32.22 2bw2 h VAL 71 CO 0.00 0.63 -0.41 -3.20 -1.23 0.00 0.00 177.57 173.35 2bw2 n ASN 72 N -3.93 -0.18 -4.85 4.19 5.15 -0.79 -5.08 115.26 109.77 2bw2 n ASN 72 Ca -0.32 -1.76 -0.32 0.00 -0.60 0.00 0.00 54.58 51.59 2bw2 n ASN 72 Cb 0.88 0.03 -0.05 0.00 -0.53 0.00 0.00 39.78 40.10 2bw2 n ASN 72 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2bw2 s GLY 73 N -0.98 2.23 -0.29 8.20 0.00 -0.75 -1.24 107.32 114.49 2bw2 s GLY 73 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.76 2bw2 s GLY 73 CO -0.04 0.27 0.63 -0.19 0.00 0.00 0.00 173.10 173.77 2bw2 s TYR 74 N -2.16 -1.34 -0.43 1.90 2.02 -1.09 -4.04 117.35 112.21 2bw2 s TYR 74 Ca 0.55 2.23 -0.29 0.00 -0.37 0.00 0.00 57.07 59.19 2bw2 s TYR 74 Cb -0.10 0.76 0.01 0.00 -0.40 0.00 0.00 41.96 42.23 2bw2 s TYR 74 CO 0.21 -0.68 1.34 0.42 -1.57 0.00 0.00 175.55 175.27 2bw2 s ILE 75 N 2.88 3.98 -0.33 2.71 1.01 -0.36 -0.04 121.20 131.05 2bw2 s ILE 75 Ca -0.03 1.00 -0.07 0.00 0.00 0.00 0.00 60.65 61.55 2bw2 s ILE 75 Cb -0.12 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.08 2bw2 s ILE 75 CO -0.19 -0.82 0.11 -0.83 0.00 0.00 0.00 174.94 173.21 2bw2 s GLY 76 N 3.55 1.84 -0.17 6.18 0.00 0.85 -1.65 107.32 117.92 2bw2 s GLY 76 Ca 0.58 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 2bw2 s GLY 76 CO 0.32 0.75 -0.05 0.14 0.00 0.00 0.00 173.10 174.27 2bw2 s VAL 77 N 1.44 3.66 0.54 1.40 1.01 -0.72 -2.38 120.40 125.35 2bw2 s VAL 77 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2bw2 s VAL 77 Cb -0.19 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2bw2 s VAL 77 CO 0.03 0.47 0.76 -0.44 0.00 0.00 0.00 175.10 175.92 2bw2 s SER 78 N 0.71 5.29 0.49 3.32 0.01 -0.98 -3.89 113.70 118.67 2bw2 s SER 78 Ca -0.02 -0.07 0.26 0.00 1.31 0.00 0.00 55.95 57.43 2bw2 s SER 78 Cb -0.15 -0.82 1.33 0.00 0.21 0.00 0.00 66.02 66.59 2bw2 s SER 78 CO 0.02 -1.12 1.90 -0.78 0.41 0.00 0.00 173.24 173.67 2bw2 h ASP 79 N 0.12 0.14 -0.05 2.44 3.58 -1.96 0.53 116.42 121.22 2bw2 h ASP 79 Ca -0.42 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2bw2 h ASP 79 Cb 1.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2bw2 h ASP 79 CO 0.51 0.06 0.00 0.59 -2.88 0.00 0.00 179.24 177.52 2bw2 n ASN 80 N -4.37 0.82 -2.05 2.28 5.03 -1.26 -3.78 115.26 111.93 2bw2 n ASN 80 Ca 0.17 -2.03 -0.14 0.00 0.87 0.00 0.00 54.58 53.45 2bw2 n ASN 80 Cb 0.81 -0.27 0.03 0.00 -1.02 0.00 0.00 39.78 39.33 2bw2 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bw2 n GLY 81 N 0.33 -0.04 3.59 7.41 0.00 0.18 -2.32 105.19 114.34 2bw2 n GLY 81 Ca 0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.99 3.84 -0.04 1.61 1.01 -1.02 -1.33 120.40 121.48 2bw2 s VAL 82 Ca 0.23 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2bw2 s VAL 82 Cb -0.10 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 31.99 2bw2 s VAL 82 CO 0.28 -0.97 1.63 -0.38 0.00 0.00 0.00 175.10 175.65 2bw2 n ILE 83 N 6.97 1.72 -3.60 2.22 2.08 0.59 -2.31 119.36 127.03 2bw2 n ILE 83 Ca 0.14 -0.45 -0.32 0.00 0.56 0.00 0.00 62.75 62.69 2bw2 n ILE 83 Cb 0.49 -1.27 -0.05 0.00 -0.75 0.00 0.00 39.64 38.05 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2bw2 s SER 84 N 1.39 6.54 0.16 4.38 0.01 -1.00 -3.78 113.70 121.40 2bw2 s SER 84 Ca 0.04 0.69 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2bw2 s SER 84 Cb 0.03 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 2bw2 s SER 84 CO 0.00 0.04 0.45 0.42 0.41 0.00 0.00 173.24 174.56 2bw2 s THR 85 N -1.66 5.05 0.18 1.44 -4.23 -1.26 -0.10 115.64 115.06 2bw2 s THR 85 Ca 0.41 0.34 0.09 0.00 -1.18 0.00 0.00 61.69 61.35 2bw2 s THR 85 Cb -0.12 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2bw2 s THR 85 CO 0.23 0.08 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.85 2bw2 s PHE 86 N -1.63 1.87 -0.55 3.99 0.40 0.94 0.19 117.98 123.19 2bw2 s PHE 86 Ca 0.41 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 2bw2 s PHE 86 Cb -0.12 -0.91 0.08 0.00 0.51 0.00 0.00 43.02 42.58 2bw2 s PHE 86 CO 0.21 0.38 0.67 -1.58 0.70 0.00 0.00 175.22 175.60 2bw2 s HIS 87 N -2.21 3.02 0.00 0.36 5.65 -1.25 -2.66 115.29 118.19 2bw2 s HIS 87 Ca 0.18 -0.77 0.00 0.00 0.25 0.00 0.00 55.06 54.72 2bw2 s HIS 87 Cb -0.05 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.56 2bw2 s HIS 87 CO 0.07 -1.18 0.00 0.41 -0.65 0.00 0.00 174.74 173.40 2bw2 n GLY 88 N 5.23 -0.28 3.65 1.59 0.00 -0.37 -4.87 105.19 110.14 2bw2 n GLY 88 Ca -0.08 -1.85 -0.55 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.36 1.28 -1.98 1.61 5.12 -1.26 -4.64 116.66 116.43 2bw2 n ARG 89 Ca 0.00 0.45 -0.43 0.00 -1.93 0.00 0.00 57.85 55.94 2bw2 n ARG 89 Cb 0.00 -2.24 -0.03 0.00 -1.16 0.00 0.00 32.46 29.03 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 4.21 3.40 0.18 5.56 0.04 -1.26 -4.82 135.00 142.30 2bw2 s PRO 90 Ca 1.00 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.57 2bw2 s PRO 90 Cb -0.98 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 29.32 2bw2 s PRO 90 CO 0.61 -1.78 0.03 -1.83 0.04 0.00 0.00 177.00 174.07 2bw2 s GLU 91 N 5.55 1.11 0.28 4.56 -1.05 -1.26 -4.78 118.70 123.11 2bw2 s GLU 91 Ca 0.80 -1.55 0.24 0.00 -0.15 0.00 0.00 54.97 54.32 2bw2 s GLU 91 Cb -0.24 -0.14 1.02 0.00 -0.44 0.00 0.00 34.13 34.33 2bw2 s GLU 91 CO 0.33 -0.19 1.73 -1.00 0.95 0.00 0.00 175.26 177.09 2bw2 h PRO 92 N 2.69 0.00 -0.01 -4.83 0.13 -2.00 -1.29 132.00 126.69 2bw2 h PRO 92 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.61 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.20 2bw2 n ALA 93 N -1.80 2.93 -2.23 -0.56 0.00 -1.26 -4.86 120.51 112.73 2bw2 n ALA 93 Ca 0.02 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2bw2 n ALA 93 Cb 0.23 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bw2 s SER 94 N -2.46 4.98 -0.10 0.00 1.04 -0.49 -5.12 113.70 111.55 2bw2 s SER 94 Ca 0.27 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2bw2 s SER 94 Cb 0.20 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2bw2 s SER 94 CO 0.49 -0.80 -0.14 -1.61 0.98 0.00 0.00 173.24 172.17 2bw2 s GLU 95 N -4.21 3.10 0.53 4.02 2.02 -1.26 -4.81 118.70 118.09 2bw2 s GLU 95 Ca 0.47 -0.69 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 2bw2 s GLU 95 Cb -0.03 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 2bw2 s GLU 95 CO 0.28 0.35 1.23 -2.14 0.02 0.00 0.00 175.26 174.99 2bw2 s PRO 96 N 0.00 3.31 0.19 0.39 0.02 -1.26 -3.95 135.00 133.70 2bw2 s PRO 96 Ca -0.04 1.90 0.11 0.00 0.02 0.00 0.00 61.00 62.99 2bw2 s PRO 96 Cb -0.14 -2.18 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 2bw2 s PRO 96 CO 0.04 -0.96 1.35 0.82 -0.33 0.00 0.00 177.00 177.93 2bw2 h ILE 97 N 1.38 1.33 -2.23 2.83 2.04 -0.61 -3.48 117.51 118.78 2bw2 h ILE 97 Ca -0.50 -2.88 0.08 0.00 1.00 0.00 0.00 64.86 62.56 2bw2 h ILE 97 Cb 1.28 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 2bw2 h ILE 97 CO 0.57 0.76 0.33 0.00 0.00 0.00 0.00 178.15 179.82 2bw2 n GLN 98 N -3.29 0.43 -4.11 2.37 0.00 -1.26 -4.79 117.38 106.72 2bw2 n GLN 98 Ca 0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 57.00 55.89 2bw2 n GLN 98 Cb 0.85 1.28 -0.15 0.00 0.00 0.00 0.00 30.24 32.21 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 -2.45 0.60 0.00 2.61 0.15 -1.26 -4.08 113.70 109.27 2bw2 s SER 99 Ca 0.13 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2bw2 s SER 99 Cb -0.02 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2bw2 s SER 99 CO 0.04 0.02 0.00 0.49 1.20 0.00 0.00 173.24 174.99 2bw2 n PHE 100 N 3.32 0.00 -3.99 3.44 3.01 -1.25 -4.97 117.46 117.01 2bw2 n PHE 100 Ca -0.17 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.17 2bw2 n PHE 100 Cb 0.56 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 2bw2 n PHE 100 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2bw2 s PHE 101 N -0.67 0.66 -0.02 1.38 5.36 -1.26 -4.97 117.98 118.46 2bw2 s PHE 101 Ca 0.00 -1.04 0.03 0.00 -0.96 0.00 0.00 56.93 54.97 2bw2 s PHE 101 Cb 0.00 0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.90 2bw2 s PHE 101 CO 0.00 -1.22 -0.11 -0.65 -1.46 0.00 0.00 175.22 171.78 2bw2 s GLN 102 N -3.07 1.03 0.20 10.12 -0.21 -1.23 -0.30 119.66 126.19 2bw2 s GLN 102 Ca 0.25 -0.39 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 2bw2 s GLN 102 Cb -0.02 -0.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.99 2bw2 s GLN 102 CO 0.16 0.20 0.16 0.96 -2.12 0.00 0.00 175.29 174.64 2bw2 s ILE 103 N -0.08 0.01 -0.36 1.08 -4.36 -0.44 -4.16 121.20 112.90 2bw2 s ILE 103 Ca 0.01 -1.92 -0.26 0.00 -0.26 0.00 0.00 60.65 58.22 2bw2 s ILE 103 Cb -0.07 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.25 2bw2 s ILE 103 CO 0.00 -0.06 0.93 -1.81 0.24 0.00 0.00 174.94 174.24 2bw2 s ASP 104 N -3.13 6.69 0.34 4.36 1.01 -0.89 -1.67 116.67 123.37 2bw2 s ASP 104 Ca 0.35 0.60 0.12 0.00 0.71 0.00 0.00 52.55 54.33 2bw2 s ASP 104 Cb 0.06 -2.46 0.59 0.00 1.01 0.00 0.00 42.92 42.12 2bw2 s ASP 104 CO 0.10 -0.85 1.74 -0.07 0.21 0.00 0.00 175.17 176.31 2bw2 h LEU 105 N 10.05 0.00 -1.88 1.23 3.38 -1.88 -1.20 115.31 125.01 2bw2 h LEU 105 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bw2 h LEU 105 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2bw2 h LEU 105 CO 0.98 0.46 0.00 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 -1.90 -1.79 114.58 116.13 2bw2 h GLU 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bw2 h GLU 106 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2bw2 h GLU 106 CO 0.06 0.00 -1.24 2.89 0.07 0.00 0.00 179.01 180.79 2bw2 n ARG 107 N -2.88 0.29 -0.67 1.06 1.85 -0.49 -4.94 116.66 110.88 2bw2 n ARG 107 Ca -0.01 -0.05 -0.31 0.00 -1.00 0.00 0.00 57.85 56.49 2bw2 n ARG 107 Cb 0.19 -1.55 0.17 0.00 -1.05 0.00 0.00 32.46 30.22 2bw2 n ARG 107 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bw2 n LEU 108 N -1.91 2.24 -4.13 2.89 7.99 -0.68 -4.90 117.00 118.51 2bw2 n LEU 108 Ca 0.01 0.34 -0.43 0.00 -0.01 0.00 0.00 56.01 55.93 2bw2 n LEU 108 Cb 0.44 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 2bw2 n LEU 108 CO 0.42 -2.51 2.14 -0.62 -1.51 0.00 0.00 177.39 175.31 2bw2 n GLU 109 N -3.89 3.18 0.00 3.23 1.02 -1.26 -4.91 120.64 118.01 2bw2 n GLU 109 Ca 0.10 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 2bw2 n GLU 109 Cb 0.53 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bw2 n SER 110 N 6.33 0.00 0.26 1.62 7.64 -1.26 -1.09 113.62 127.12 2bw2 n SER 110 Ca 0.47 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.44 2bw2 n SER 110 Cb 0.41 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.12 1.43 2.07 -1.99 -2.33 115.15 114.45 2bw2 h HIS 111 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2bw2 h HIS 111 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2bw2 h HIS 111 CO 0.00 0.07 -0.12 0.52 -3.07 0.00 0.00 177.93 175.32 2bw2 h MET 112 N 0.00 -0.26 -0.06 5.12 2.07 -1.49 -0.73 114.93 119.58 2bw2 h MET 112 Ca -0.00 0.02 -0.12 0.00 -2.07 0.00 0.00 59.70 57.53 2bw2 h MET 112 Cb 0.13 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 2bw2 h MET 112 CO 0.01 -0.17 -0.52 -0.56 1.07 0.00 0.00 176.91 176.74 2bw2 h GLN 113 N -0.27 0.16 -0.03 1.72 3.07 -1.65 -2.50 115.11 115.61 2bw2 h GLN 113 Ca 0.01 -0.09 -0.11 0.00 0.09 0.00 0.00 58.65 58.55 2bw2 h GLN 113 Cb 0.26 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 2bw2 h GLN 113 CO -0.04 0.64 -0.48 0.87 0.09 0.00 0.00 178.83 179.91 2bw2 h LYS 114 N 0.12 0.07 -0.07 0.06 1.57 -1.26 0.10 116.57 117.17 2bw2 h LYS 114 Ca 0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2bw2 h LYS 114 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2bw2 h LYS 114 CO 0.08 0.54 -0.61 -0.97 -0.57 0.00 0.00 179.45 177.91 2bw2 h ASN 115 N 0.06 0.27 0.36 0.86 -1.24 -0.74 -2.58 115.58 112.56 2bw2 h ASN 115 Ca -0.00 -0.16 -0.15 0.00 0.71 0.00 0.00 56.30 56.70 2bw2 h ASN 115 Cb 0.88 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 2bw2 h ASN 115 CO 0.07 0.82 -0.63 -0.07 -1.29 0.00 0.00 177.43 176.32 2bw2 h LEU 116 N 0.17 0.30 -0.83 0.34 3.38 -0.95 0.12 115.31 117.85 2bw2 h LEU 116 Ca -0.01 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2bw2 h LEU 116 Cb 1.12 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2bw2 h LEU 116 CO 0.09 0.85 0.53 -0.07 0.09 0.00 0.00 178.44 179.94 2bw2 h LEU 117 N 0.19 0.87 -0.24 1.67 3.38 -0.52 -1.79 115.31 118.87 2bw2 h LEU 117 Ca -0.01 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2bw2 h LEU 117 Cb 1.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2bw2 h LEU 117 CO 0.10 0.59 -0.90 0.11 0.09 0.00 0.00 178.44 178.43 2bw2 h LYS 118 N 1.02 0.26 0.00 1.13 1.57 -1.25 -3.40 116.57 115.91 2bw2 h LYS 118 Ca 0.34 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2bw2 h LYS 118 Cb 0.04 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2bw2 h LYS 118 CO -0.13 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 2bw2 n GLY 119 N 0.91 2.59 3.66 3.86 0.00 0.41 -4.07 105.19 112.54 2bw2 n GLY 119 Ca -0.05 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.86 4.90 -1.06 -0.61 -1.09 -0.66 -4.70 121.20 117.12 2bw2 s ILE 120 Ca 0.00 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 2bw2 s ILE 120 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2bw2 s ILE 120 CO 0.00 0.02 0.24 -0.81 -1.23 0.00 0.00 174.94 173.16 2bw2 n PRO 121 N 5.37 0.45 -0.87 2.79 -0.04 -1.26 -1.22 135.00 140.23 2bw2 n PRO 121 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2bw2 n PRO 121 Cb 0.49 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2bw2 n PRO 121 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bw2 n PHE 122 N 0.22 -2.32 -4.02 0.54 3.01 -1.26 -4.56 117.46 109.08 2bw2 n PHE 122 Ca 0.00 1.26 -0.13 0.00 1.01 0.00 0.00 57.45 59.59 2bw2 n PHE 122 Cb 0.11 -2.11 -0.03 0.00 -0.01 0.00 0.00 39.48 37.44 2bw2 n PHE 122 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2bw2 s ARG 123 N -3.47 1.99 1.16 -1.08 0.52 -1.26 -4.97 118.95 111.84 2bw2 s ARG 123 Ca 0.00 -1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 53.38 2bw2 s ARG 123 Cb 0.00 0.49 0.27 0.00 0.52 0.00 0.00 34.95 36.23 2bw2 s ARG 123 CO 0.00 -0.85 1.06 0.99 0.02 0.00 0.00 175.30 176.52 2bw2 s THR 124 N -2.90 1.77 0.30 0.02 2.01 -1.26 -4.30 115.64 111.28 2bw2 s THR 124 Ca 0.27 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2bw2 s THR 124 Cb -0.02 -2.34 0.28 0.00 0.01 0.00 0.00 72.50 70.44 2bw2 s THR 124 CO 0.18 0.00 1.91 0.50 -0.69 0.00 0.00 174.62 176.51 2bw2 h LYS 125 N -2.51 0.99 0.00 4.92 3.11 -1.95 0.52 116.57 121.66 2bw2 h LYS 125 Ca -0.52 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.12 2bw2 h LYS 125 Cb 1.32 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 2bw2 h LYS 125 CO 0.45 0.66 -0.67 0.00 -2.81 0.00 0.00 179.45 177.08 2bw2 h ALA 126 N 1.51 0.67 0.02 5.00 0.00 -1.96 -2.33 119.26 122.17 2bw2 h ALA 126 Ca 0.40 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2bw2 h ALA 126 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bw2 h ALA 126 CO -0.15 0.83 -1.05 0.93 0.00 0.00 0.00 179.25 179.81 2bw2 h GLU 127 N 0.00 0.05 -0.23 0.00 5.08 -1.23 -1.72 114.58 116.52 2bw2 h GLU 127 Ca -0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2bw2 h GLU 127 Cb 1.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2bw2 h GLU 127 CO 0.09 1.04 -0.02 0.35 -1.00 0.00 0.00 179.01 179.47 2bw2 h PHE 128 N 0.01 0.47 0.00 4.33 3.04 0.03 -2.25 116.94 122.57 2bw2 h PHE 128 Ca -0.03 -0.09 -0.00 0.00 3.98 0.00 0.00 57.97 61.83 2bw2 h PHE 128 Cb 1.81 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 40.20 2bw2 h PHE 128 CO 0.01 0.62 -0.02 1.05 -2.02 0.00 0.00 178.31 177.95 2bw2 h GLU 129 N 0.18 0.00 -0.52 1.11 4.11 -1.39 -1.32 114.58 116.75 2bw2 h GLU 129 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 2bw2 h GLU 129 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2bw2 h GLU 129 CO 0.02 0.02 0.15 0.22 0.07 0.00 0.00 179.01 179.49 2bw2 h ASP 130 N 0.00 0.77 0.48 3.06 3.58 -0.94 0.25 116.42 123.63 2bw2 h ASP 130 Ca -0.00 -0.22 -0.20 0.00 0.42 0.00 0.00 57.03 57.03 2bw2 h ASP 130 Cb 0.57 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2bw2 h ASP 130 CO 0.00 0.78 -0.89 1.62 -2.88 0.00 0.00 179.24 177.88 2bw2 h VAL 131 N 0.72 1.46 -0.27 2.25 3.04 -1.13 -3.24 116.25 119.07 2bw2 h VAL 131 Ca 0.17 -2.53 -0.11 0.00 -1.01 0.00 0.00 66.70 63.22 2bw2 h VAL 131 Cb 0.30 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 2bw2 h VAL 131 CO -0.00 0.74 -0.28 0.40 -1.01 0.00 0.00 177.57 177.42 2bw2 h ILE 132 N 0.16 1.28 0.00 3.17 5.03 -0.94 -2.53 117.51 123.68 2bw2 h ILE 132 Ca -0.05 -1.35 -0.05 0.00 -0.12 0.00 0.00 64.86 63.29 2bw2 h ILE 132 Cb 1.51 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 2bw2 h ILE 132 CO 0.14 0.43 -0.22 1.05 -0.68 0.00 0.00 178.15 178.87 2bw2 h GLU 133 N 0.48 0.00 -0.26 2.37 4.11 -0.56 0.31 114.58 121.02 2bw2 h GLU 133 Ca 0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.35 2bw2 h GLU 133 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2bw2 h GLU 133 CO 0.06 0.22 -0.38 1.25 0.07 0.00 0.00 179.01 180.23 2bw2 h HIS 134 N 0.00 0.89 0.00 2.06 2.76 -1.49 -0.84 115.15 118.54 2bw2 h HIS 134 Ca -0.00 -0.30 -0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2bw2 h HIS 134 Cb 0.49 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2bw2 h HIS 134 CO 0.00 1.07 -0.00 0.52 -1.30 0.00 0.00 177.93 178.22 2bw2 h MET 135 N 0.46 -0.01 0.00 5.26 2.86 -0.89 -2.47 114.93 120.13 2bw2 h MET 135 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2bw2 h MET 135 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2bw2 h MET 135 CO 0.09 0.09 0.00 1.57 1.06 0.00 0.00 176.91 179.72 2bw2 h LYS 136 N -0.10 0.00 0.00 1.72 2.10 -0.98 -1.17 116.57 118.14 2bw2 h LYS 136 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2bw2 h LYS 136 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2bw2 h LYS 136 CO 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 179.45 177.28 2bw2 h THR 137 N 0.00 0.51 0.00 0.07 1.03 -0.66 -3.17 112.91 110.70 2bw2 h THR 137 Ca 0.00 -0.85 -0.04 0.00 -0.01 0.00 0.00 66.41 65.51 2bw2 h THR 137 Cb 0.43 1.58 -0.01 0.00 -1.07 0.00 0.00 68.15 69.09 2bw2 h THR 137 CO 0.00 0.17 -0.42 1.88 -0.01 0.00 0.00 175.52 177.14 2bw2 h TYR 138 N 0.00 0.00 -1.01 0.00 0.05 -1.22 -3.47 116.97 111.32 2bw2 h TYR 138 Ca -0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 2bw2 h TYR 138 Cb 0.57 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 2bw2 h TYR 138 CO 0.00 0.33 -0.14 -1.13 -1.05 0.00 0.00 178.16 176.17 2bw2 n SER 139 N -4.64 -2.98 0.00 3.88 3.41 -0.74 -4.95 113.62 107.60 2bw2 n SER 139 Ca -0.09 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2bw2 n SER 139 Cb 0.27 -2.57 0.00 0.00 -0.26 0.00 0.00 64.21 61.65 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49