#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 n GLU 2 N 0.00 0.81 -4.47 0.00 4.71 -1.26 -5.14 120.64 115.30 2bw2 n GLU 2 Ca 0.00 -1.91 -0.22 0.00 -0.01 0.00 0.00 57.16 55.02 2bw2 n GLU 2 Cb 0.00 -0.07 -0.11 0.00 -1.01 0.00 0.00 31.44 30.25 2bw2 n GLU 2 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2bw2 s VAL 3 N -1.25 1.30 -0.44 2.62 1.01 -1.26 -5.08 120.40 117.31 2bw2 s VAL 3 Ca 0.33 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.01 2bw2 s VAL 3 Cb -0.03 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2bw2 s VAL 3 CO 0.21 -0.01 1.29 -1.61 0.00 0.00 0.00 175.10 174.98 2bw2 s GLU 4 N -3.86 3.65 0.47 2.72 0.41 -1.26 -4.94 118.70 115.88 2bw2 s GLU 4 Ca 0.36 0.79 0.03 0.00 -0.41 0.00 0.00 54.97 55.74 2bw2 s GLU 4 Cb 0.09 -3.97 0.01 0.00 -1.78 0.00 0.00 34.13 28.48 2bw2 s GLU 4 CO 0.16 -1.48 0.67 -1.01 -0.49 0.00 0.00 175.26 173.11 2bw2 s HIS 5 N 4.99 2.97 -0.09 1.61 3.76 -1.26 -5.00 115.29 122.26 2bw2 s HIS 5 Ca 0.55 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 55.48 2bw2 s HIS 5 Cb -0.11 -2.48 -0.11 0.00 1.11 0.00 0.00 32.58 30.99 2bw2 s HIS 5 CO 0.32 -0.55 0.02 0.66 -0.85 0.00 0.00 174.74 174.34 2bw2 n TYR 6 N -2.10 0.00 -3.54 1.40 4.02 -1.26 -4.91 117.16 110.77 2bw2 n TYR 6 Ca 0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.58 2bw2 n TYR 6 Cb 0.59 -0.45 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 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 -2.22 4.20 1.01 -0.72 2.02 -1.26 -5.08 118.70 116.64 2bw2 s GLU 7 Ca -0.05 0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 2bw2 s GLU 7 Cb 0.03 -3.47 0.22 0.00 0.10 0.00 0.00 34.13 31.00 2bw2 s GLU 7 CO 0.37 0.14 1.29 -1.25 0.02 0.00 0.00 175.26 175.83 2bw2 s PRO 8 N 0.78 0.28 -0.26 0.39 0.04 -1.26 -4.84 135.00 130.14 2bw2 s PRO 8 Ca 0.15 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.78 2bw2 s PRO 8 Cb -0.13 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2bw2 s PRO 8 CO 0.04 -2.66 -0.02 -1.17 0.04 0.00 0.00 177.00 173.23 2bw2 s LEU 9 N -6.07 3.31 -0.78 -3.56 1.98 0.19 -4.79 118.68 108.95 2bw2 s LEU 9 Ca 0.74 -0.75 -0.26 0.00 -2.89 0.00 0.00 54.13 50.98 2bw2 s LEU 9 Cb -0.04 -1.73 -0.00 0.00 0.66 0.00 0.00 46.19 45.07 2bw2 s LEU 9 CO 0.54 -0.13 1.67 -1.10 -1.89 0.00 0.00 176.35 175.45 2bw2 s GLN 10 N 1.40 2.90 -0.21 1.98 -0.21 -1.26 -0.94 119.66 123.32 2bw2 s GLN 10 Ca 0.02 -0.09 -0.15 0.00 0.02 0.00 0.00 55.36 55.15 2bw2 s GLN 10 Cb -0.16 -4.66 -0.04 0.00 1.00 0.00 0.00 33.01 29.15 2bw2 s GLN 10 CO -0.03 -2.66 0.37 0.08 -2.12 0.00 0.00 175.29 170.93 2bw2 s VAL 11 N 7.85 5.21 -0.46 1.09 1.01 0.53 -4.74 120.40 130.90 2bw2 s VAL 11 Ca 0.57 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 2bw2 s VAL 11 Cb -0.08 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2bw2 s VAL 11 CO 0.09 0.25 0.45 -2.28 0.00 0.00 0.00 175.10 173.61 2bw2 s HIS 12 N 1.36 3.18 -0.15 5.22 2.46 0.64 -0.37 115.29 127.62 2bw2 s HIS 12 Ca 0.17 -0.62 -0.08 0.00 0.47 0.00 0.00 55.06 55.01 2bw2 s HIS 12 Cb -0.15 -3.08 -0.04 0.00 -0.13 0.00 0.00 32.58 29.18 2bw2 s HIS 12 CO 0.08 -0.79 0.12 0.14 -2.47 0.00 0.00 174.74 171.82 2bw2 s VAL 13 N 2.03 5.36 -0.34 0.89 -7.23 0.63 -0.73 120.40 120.99 2bw2 s VAL 13 Ca 0.09 0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.33 2bw2 s VAL 13 Cb -0.20 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.39 2bw2 s VAL 13 CO 0.11 0.55 0.15 -1.58 -0.31 0.00 0.00 175.10 174.02 2bw2 s GLN 14 N -0.49 2.89 -0.36 4.82 0.74 -0.14 -1.47 119.66 125.64 2bw2 s GLN 14 Ca 0.12 -1.02 -0.14 0.00 0.05 0.00 0.00 55.36 54.37 2bw2 s GLN 14 Cb -0.12 -3.59 -0.00 0.00 1.10 0.00 0.00 33.01 30.40 2bw2 s GLN 14 CO 0.02 -0.61 0.26 -0.51 -0.55 0.00 0.00 175.29 173.89 2bw2 s LEU 15 N 1.52 4.73 -0.21 3.68 1.43 0.62 -1.86 118.68 128.57 2bw2 s LEU 15 Ca 0.02 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 2bw2 s LEU 15 Cb -0.19 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2bw2 s LEU 15 CO 0.05 -0.31 0.23 -1.61 0.23 0.00 0.00 176.35 174.94 2bw2 s GLU 16 N 1.70 4.14 -0.56 1.70 2.02 -0.43 -0.84 118.70 126.43 2bw2 s GLU 16 Ca 0.06 -0.10 -0.16 0.00 0.02 0.00 0.00 54.97 54.79 2bw2 s GLU 16 Cb -0.18 -3.51 0.14 0.00 0.10 0.00 0.00 34.13 30.68 2bw2 s GLU 16 CO 0.10 0.10 0.52 0.15 0.02 0.00 0.00 175.26 176.14 2bw2 s LYS 17 N 0.93 3.02 -0.44 1.61 -0.14 0.08 -0.11 119.74 124.70 2bw2 s LYS 17 Ca 0.11 -1.77 -0.22 0.00 -1.36 0.00 0.00 55.97 52.73 2bw2 s LYS 17 Cb -0.13 -4.30 0.02 0.00 -1.68 0.00 0.00 37.83 31.74 2bw2 s LYS 17 CO 0.04 -1.32 0.73 0.08 -0.76 0.00 0.00 175.35 174.12 2bw2 s VAL 18 N 1.48 4.72 0.42 3.17 1.01 0.83 -2.78 120.40 129.27 2bw2 s VAL 18 Ca 0.04 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2bw2 s VAL 18 Cb -0.28 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2bw2 s VAL 18 CO 0.02 -0.66 0.61 -0.31 0.00 0.00 0.00 175.10 174.76 2bw2 s TYR 19 N 3.09 3.10 0.25 5.22 1.51 -1.25 -2.81 117.35 126.47 2bw2 s TYR 19 Ca 0.27 -0.00 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 2bw2 s TYR 19 Cb -0.13 -2.28 0.31 0.00 -0.11 0.00 0.00 41.96 39.75 2bw2 s TYR 19 CO 0.21 -0.32 1.64 -0.07 -1.11 0.00 0.00 175.55 175.90 2bw2 h LEU 20 N 0.53 0.49 -0.94 -1.29 4.07 -1.79 -3.29 115.31 113.09 2bw2 h LEU 20 Ca -0.45 -0.20 0.27 0.00 0.08 0.00 0.00 57.88 57.57 2bw2 h LEU 20 Cb 1.26 -0.14 -0.17 0.00 1.08 0.00 0.00 40.66 42.70 2bw2 h LEU 20 CO 0.54 0.82 0.12 -0.78 -1.08 0.00 0.00 178.44 178.06 2bw2 h ASP 21 N 0.39 -0.28 0.00 -0.43 1.82 -1.94 -3.46 116.42 112.52 2bw2 h ASP 21 Ca 0.04 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2bw2 h ASP 21 Cb 0.84 0.40 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2bw2 h ASP 21 CO 0.07 -0.30 0.00 0.61 -1.61 0.00 0.00 179.24 178.01 2bw2 n GLY 22 N -1.44 0.98 3.76 -0.78 0.00 -1.24 -4.71 105.19 101.75 2bw2 n GLY 22 Ca 0.23 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.58 7.09 -0.07 1.61 2.15 -1.26 -4.59 116.67 121.02 2bw2 s ASP 23 Ca 0.00 1.30 0.02 0.00 0.43 0.00 0.00 52.55 54.30 2bw2 s ASP 23 Cb 0.00 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.22 2bw2 s ASP 23 CO 0.00 0.07 -0.13 0.54 -0.17 0.00 0.00 175.17 175.48 2bw2 s VAL 24 N -0.17 1.22 -0.16 1.11 0.11 -1.26 -3.96 120.40 117.29 2bw2 s VAL 24 Ca 0.34 -0.53 -0.28 0.00 -2.93 0.00 0.00 61.98 58.58 2bw2 s VAL 24 Cb -0.19 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 2bw2 s VAL 24 CO 0.20 0.38 0.97 -0.55 -3.33 0.00 0.00 175.10 172.76 2bw2 s SER 25 N 0.67 7.13 -0.33 3.54 0.15 -1.12 -4.83 113.70 118.91 2bw2 s SER 25 Ca -0.14 1.39 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 2bw2 s SER 25 Cb -0.16 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 2bw2 s SER 25 CO 0.04 -0.49 0.18 -0.63 1.20 0.00 0.00 173.24 173.53 2bw2 s ILE 26 N 2.37 4.76 0.08 6.45 -1.09 -1.26 -0.74 121.20 131.78 2bw2 s ILE 26 Ca 0.44 -0.43 0.07 0.00 -2.23 0.00 0.00 60.65 58.50 2bw2 s ILE 26 Cb -0.17 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2bw2 s ILE 26 CO 0.13 0.01 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.04 2bw2 s GLU 27 N 1.63 2.15 -0.13 2.79 2.56 -0.02 -4.97 118.70 122.72 2bw2 s GLU 27 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 54.97 54.02 2bw2 s GLU 27 Cb -0.17 -2.30 0.03 0.00 2.00 0.00 0.00 34.13 33.68 2bw2 s GLU 27 CO 0.07 0.52 -0.05 -1.01 -0.56 0.00 0.00 175.26 174.23 2bw2 s HIS 28 N -1.14 1.45 0.20 5.30 3.76 -1.26 -0.28 115.29 123.32 2bw2 s HIS 28 Ca 0.20 -0.80 0.09 0.00 -0.15 0.00 0.00 55.06 54.40 2bw2 s HIS 28 Cb -0.11 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 2bw2 s HIS 28 CO 0.12 -0.53 -0.19 0.15 -0.85 0.00 0.00 174.74 173.44 2bw2 s LYS 29 N 1.72 1.41 -0.17 1.40 1.02 -0.54 -4.98 119.74 119.60 2bw2 s LYS 29 Ca 0.03 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.49 2bw2 s LYS 29 Cb -0.14 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2bw2 s LYS 29 CO -0.08 0.28 -0.16 -3.38 -0.92 0.00 0.00 175.35 171.09 2bw2 s HIS 30 N -2.30 2.46 -0.02 3.18 -3.43 -1.25 -0.27 115.29 113.65 2bw2 s HIS 30 Ca 0.21 -1.44 0.03 0.00 -0.80 0.00 0.00 55.06 53.06 2bw2 s HIS 30 Cb -0.05 -1.74 -0.00 0.00 -1.43 0.00 0.00 32.58 29.36 2bw2 s HIS 30 CO 0.09 -0.74 -0.12 -1.83 -2.00 0.00 0.00 174.74 170.15 2bw2 s GLU 31 N 1.39 1.13 -0.36 -0.38 -1.05 0.50 -4.90 118.70 115.03 2bw2 s GLU 31 Ca 0.04 -0.41 -0.17 0.00 -0.15 0.00 0.00 54.97 54.28 2bw2 s GLU 31 Cb -0.13 -1.04 -0.00 0.00 -0.44 0.00 0.00 34.13 32.51 2bw2 s GLU 31 CO -0.11 0.19 0.48 0.15 0.95 0.00 0.00 175.26 176.91 2bw2 s LYS 32 N 0.01 3.56 -0.01 -4.83 1.02 -1.23 -0.35 119.74 117.91 2bw2 s LYS 32 Ca -0.01 -0.27 0.06 0.00 0.02 0.00 0.00 55.97 55.77 2bw2 s LYS 32 Cb -0.08 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 2bw2 s LYS 32 CO 0.00 -0.64 -0.20 0.14 -0.92 0.00 0.00 175.35 173.74 2bw2 s VAL 33 N 2.30 2.63 -0.11 3.17 -7.23 -0.11 -4.64 120.40 116.40 2bw2 s VAL 33 Ca 0.17 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2bw2 s VAL 33 Cb -0.16 -2.02 -0.26 0.00 0.56 0.00 0.00 36.38 34.50 2bw2 s VAL 33 CO 0.13 0.50 0.39 0.49 -0.31 0.00 0.00 175.10 176.30 2bw2 n PHE 34 N 2.10 1.29 -3.92 2.82 3.01 -1.26 0.54 117.46 122.04 2bw2 n PHE 34 Ca -0.17 0.28 -0.35 0.00 1.01 0.00 0.00 57.45 58.22 2bw2 n PHE 34 Cb 0.52 -1.17 -0.14 0.00 -0.01 0.00 0.00 39.48 38.68 2bw2 n PHE 34 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2bw2 s SER 35 N -7.03 4.38 0.47 4.37 0.15 -1.26 -4.53 113.70 110.24 2bw2 s SER 35 Ca -0.22 -0.69 0.19 0.00 0.70 0.00 0.00 55.95 55.93 2bw2 s SER 35 Cb 0.07 -1.71 1.13 0.00 -1.71 0.00 0.00 66.02 63.79 2bw2 s SER 35 CO 0.77 -0.10 2.00 0.24 1.20 0.00 0.00 173.24 177.36 2bw2 h MET 36 N 8.07 0.00 -0.57 5.44 2.86 -1.96 -1.87 114.93 126.90 2bw2 h MET 36 Ca -0.36 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 2bw2 h MET 36 Cb 1.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2bw2 h MET 36 CO 0.59 0.18 0.24 0.22 1.06 0.00 0.00 176.91 179.20 2bw2 h ASP 37 N 0.00 0.74 -0.27 1.22 3.58 -1.99 0.15 116.42 119.85 2bw2 h ASP 37 Ca -0.00 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.21 2bw2 h ASP 37 Cb 0.36 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2bw2 h ASP 37 CO 0.02 0.66 -0.43 -0.78 -2.88 0.00 0.00 179.24 175.83 2bw2 h ASP 38 N 0.81 0.85 -0.67 2.28 3.58 -1.77 -2.30 116.42 119.20 2bw2 h ASP 38 Ca 0.20 -0.52 0.02 0.00 0.42 0.00 0.00 57.03 57.15 2bw2 h ASP 38 Cb 0.14 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2bw2 h ASP 38 CO -0.02 1.20 0.43 0.15 -2.88 0.00 0.00 179.24 178.12 2bw2 h PHE 39 N 0.52 0.81 -0.46 0.28 3.04 -0.92 0.87 116.94 121.08 2bw2 h PHE 39 Ca 0.02 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 2bw2 h PHE 39 Cb 1.03 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 2bw2 h PHE 39 CO 0.08 0.49 0.04 -1.49 -2.02 0.00 0.00 178.31 175.41 2bw2 h TRP 40 N 0.86 0.75 -0.07 0.41 -0.00 -0.63 -1.12 115.95 116.15 2bw2 h TRP 40 Ca 0.26 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.89 58.93 2bw2 h TRP 40 Cb -0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 28.90 2bw2 h TRP 40 CO -0.04 0.68 -0.55 0.00 -0.00 0.00 0.00 178.44 178.54 2bw2 h ALA 41 N 1.36 0.94 -0.24 1.49 0.00 -0.78 0.19 119.26 122.22 2bw2 h ALA 41 Ca 0.14 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2bw2 h ALA 41 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2bw2 h ALA 41 CO 0.01 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.51 2bw2 h ALA 42 N 1.26 0.78 -0.24 0.00 0.00 0.01 -3.14 119.26 117.93 2bw2 h ALA 42 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2bw2 h ALA 42 Cb 1.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2bw2 h ALA 42 CO 0.08 0.66 -0.00 0.66 0.00 0.00 0.00 179.25 180.65 2bw2 n TYR 43 N -4.01 0.87 -0.34 0.00 4.02 -0.51 -4.70 117.16 112.49 2bw2 n TYR 43 Ca -0.02 -0.90 0.21 0.00 -0.01 0.00 0.00 57.90 57.18 2bw2 n TYR 43 Cb 0.54 -0.30 0.43 0.00 -0.02 0.00 0.00 39.34 39.99 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 1.66 1.90 0.00 -0.72 0.00 -0.56 -0.81 119.26 120.72 2bw2 h ALA 44 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2bw2 h ALA 44 Cb 1.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2bw2 h ALA 44 CO 0.21 -0.43 -0.42 0.78 0.00 0.00 0.00 179.25 179.39 2bw2 h GLY 45 N 0.46 0.00 -1.60 0.00 0.00 -1.85 -3.44 103.07 96.64 2bw2 h GLY 45 Ca 0.69 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.52 2bw2 h GLY 45 CO -0.52 0.00 0.37 -0.98 0.00 0.00 0.00 176.54 175.41 2bw2 s TRP 46 N -3.45 2.99 -0.22 5.60 0.52 -0.31 -4.96 118.94 119.11 2bw2 s TRP 46 Ca 0.01 1.49 -0.22 0.00 0.02 0.00 0.00 56.10 57.40 2bw2 s TRP 46 Cb 0.10 -2.98 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 2bw2 s TRP 46 CO 0.70 -1.20 0.68 0.99 0.02 0.00 0.00 176.95 178.13 2bw2 s THR 47 N -2.64 4.97 -0.49 2.01 2.01 0.88 -4.86 115.64 117.52 2bw2 s THR 47 Ca 0.62 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 2bw2 s THR 47 Cb -0.16 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.40 2bw2 s THR 47 CO 0.43 0.05 1.19 -0.22 -0.69 0.00 0.00 174.62 175.38 2bw2 s LEU 48 N 2.27 3.59 -0.14 4.42 1.98 -1.26 -1.08 118.68 128.46 2bw2 s LEU 48 Ca 0.30 0.45 -0.18 0.00 -2.89 0.00 0.00 54.13 51.80 2bw2 s LEU 48 Cb -0.16 -3.48 -0.24 0.00 0.66 0.00 0.00 46.19 42.97 2bw2 s LEU 48 CO 0.09 -1.33 0.46 0.58 -1.89 0.00 0.00 176.35 174.26 2bw2 h VAL 49 N 6.27 1.05 -2.94 1.68 2.07 -1.24 -3.49 116.25 119.65 2bw2 h VAL 49 Ca -0.24 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.97 2bw2 h VAL 49 Cb 1.07 2.62 -0.11 0.00 -1.52 0.00 0.00 31.29 33.35 2bw2 h VAL 49 CO 1.13 0.58 0.24 -1.83 0.02 0.00 0.00 177.57 177.71 2bw2 s GLU 50 N -2.42 1.33 -0.01 1.57 -1.05 -1.10 -5.02 118.70 111.99 2bw2 s GLU 50 Ca -0.23 -0.54 -0.08 0.00 -0.15 0.00 0.00 54.97 53.98 2bw2 s GLU 50 Cb 0.04 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2bw2 s GLU 50 CO 0.70 -0.59 0.15 1.14 0.95 0.00 0.00 175.26 177.62 2bw2 s GLN 51 N -3.73 0.45 0.23 -4.83 -2.07 -1.26 -0.08 119.66 108.37 2bw2 s GLN 51 Ca 0.03 -0.29 -0.07 0.00 -1.82 0.00 0.00 55.36 53.22 2bw2 s GLN 51 Cb -0.02 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2bw2 s GLN 51 CO -0.10 -0.10 0.30 -1.59 -1.32 0.00 0.00 175.29 172.48 2bw2 s LYS 52 N -1.15 1.38 -0.59 9.60 -2.85 0.52 -5.00 119.74 121.65 2bw2 s LYS 52 Ca -0.12 -1.45 -0.26 0.00 -1.00 0.00 0.00 55.97 53.13 2bw2 s LYS 52 Cb -0.06 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.02 2bw2 s LYS 52 CO 0.02 -0.52 2.20 0.21 0.10 0.00 0.00 175.35 177.36 2bw2 s LYS 53 N -4.07 2.25 0.00 1.78 2.47 -1.26 -1.66 119.74 119.24 2bw2 s LYS 53 Ca 0.31 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.66 2bw2 s LYS 53 Cb 0.03 -4.57 0.00 0.00 -1.46 0.00 0.00 37.83 31.83 2bw2 s LYS 53 CO 0.11 -3.23 0.00 0.41 0.16 0.00 0.00 175.35 172.80 2bw2 n GLY 54 N 6.04 2.37 2.94 5.54 0.00 -1.26 -5.06 105.19 115.76 2bw2 n GLY 54 Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.37 0.61 -0.03 1.61 6.14 -0.67 -0.26 117.35 122.38 2bw2 s TYR 55 Ca 0.00 -0.13 0.04 0.00 0.64 0.00 0.00 57.07 57.62 2bw2 s TYR 55 Cb 0.00 -0.47 -0.00 0.00 0.42 0.00 0.00 41.96 41.91 2bw2 s TYR 55 CO 0.00 -0.08 -0.15 0.08 0.64 0.00 0.00 175.55 176.04 2bw2 s VAL 56 N 0.27 1.25 -0.30 3.14 1.01 0.09 -0.35 120.40 125.51 2bw2 s VAL 56 Ca -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 2bw2 s VAL 56 Cb -0.07 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2bw2 s VAL 56 CO -0.00 0.36 0.03 -0.22 0.00 0.00 0.00 175.10 175.27 2bw2 s LEU 57 N -0.06 3.82 -0.01 3.92 2.96 0.89 -0.97 118.68 129.23 2bw2 s LEU 57 Ca -0.01 -1.01 0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2bw2 s LEU 57 Cb -0.09 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2bw2 s LEU 57 CO 0.01 -0.23 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.22 2bw2 s PHE 58 N 1.37 2.05 -0.01 5.38 0.08 -0.78 -0.61 117.98 125.46 2bw2 s PHE 58 Ca -0.01 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.72 2bw2 s PHE 58 Cb -0.18 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 2bw2 s PHE 58 CO -0.00 -0.02 -0.21 -0.98 -0.10 0.00 0.00 175.22 173.91 2bw2 s ARG 59 N -0.61 1.65 -0.09 0.44 1.70 -0.24 -1.31 118.95 120.50 2bw2 s ARG 59 Ca 0.09 -0.79 0.03 0.00 -0.47 0.00 0.00 55.73 54.59 2bw2 s ARG 59 Cb -0.09 -1.63 0.01 0.00 -0.57 0.00 0.00 34.95 32.67 2bw2 s ARG 59 CO -0.01 0.44 -0.16 0.21 -1.08 0.00 0.00 175.30 174.71 2bw2 s LYS 60 N -0.61 2.19 -0.27 3.89 2.47 0.85 -0.09 119.74 128.17 2bw2 s LYS 60 Ca 0.08 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.92 2bw2 s LYS 60 Cb -0.08 -1.77 0.05 0.00 -1.46 0.00 0.00 37.83 34.57 2bw2 s LYS 60 CO -0.00 0.05 -0.06 -0.65 0.16 0.00 0.00 175.35 174.84 2bw2 s GLN 61 N 0.66 2.44 0.56 4.03 -0.21 -1.26 -0.12 119.66 125.76 2bw2 s GLN 61 Ca -0.14 -1.24 0.10 0.00 0.02 0.00 0.00 55.36 54.10 2bw2 s GLN 61 Cb -0.16 -3.01 0.08 0.00 1.00 0.00 0.00 33.01 30.91 2bw2 s GLN 61 CO 0.04 -0.55 0.77 -1.64 -2.12 0.00 0.00 175.29 171.79 2bw2 s MET 62 N 1.20 2.36 0.00 2.91 -1.94 -1.12 -4.96 119.30 117.75 2bw2 s MET 62 Ca -0.06 -1.61 0.21 0.00 -1.71 0.00 0.00 55.69 52.53 2bw2 s MET 62 Cb -0.19 -2.66 0.26 0.00 2.01 0.00 0.00 34.83 34.26 2bw2 s MET 62 CO -0.04 -0.80 1.24 -0.40 -0.01 0.00 0.00 175.02 175.02 2bw2 n ASP 63 N -2.20 3.00 -4.96 3.03 5.75 -1.26 -4.49 116.55 115.42 2bw2 n ASP 63 Ca 0.15 -1.91 -0.22 0.00 -0.01 0.00 0.00 54.79 52.79 2bw2 n ASP 63 Cb 0.61 -0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.59 5.43 0.49 -1.12 2.15 -1.26 -4.88 116.67 115.88 2bw2 s ASP 64 Ca 0.29 0.17 0.07 0.00 0.43 0.00 0.00 52.55 53.52 2bw2 s ASP 64 Cb 0.19 -1.16 0.02 0.00 -0.30 0.00 0.00 42.92 41.67 2bw2 s ASP 64 CO 0.27 -1.04 0.49 0.27 -0.17 0.00 0.00 175.17 174.99 2bw2 s ILE 65 N -2.76 2.29 0.29 4.11 -4.36 -1.26 -3.88 121.20 115.63 2bw2 s ILE 65 Ca 0.54 -1.28 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 2bw2 s ILE 65 Cb -0.10 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.94 2bw2 s ILE 65 CO 0.39 0.00 1.05 -0.44 0.24 0.00 0.00 174.94 176.19 2bw2 s SER 66 N -4.30 7.29 0.21 4.36 0.01 -1.26 -4.94 113.70 115.06 2bw2 s SER 66 Ca 0.48 2.16 -0.08 0.00 1.31 0.00 0.00 55.95 59.82 2bw2 s SER 66 Cb -0.04 -2.62 0.16 0.00 0.21 0.00 0.00 66.02 63.74 2bw2 s SER 66 CO 0.29 -0.12 1.80 1.55 0.41 0.00 0.00 173.24 177.17 2bw2 h PRO 67 N 3.71 1.17 0.00 12.44 0.13 -1.99 -2.12 132.00 145.34 2bw2 h PRO 67 Ca -0.47 -0.19 -0.18 0.00 -0.87 0.00 0.00 66.00 64.30 2bw2 h PRO 67 Cb 1.21 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2bw2 h PRO 67 CO 0.66 0.92 -0.84 1.25 -0.23 0.00 0.00 178.00 179.76 2bw2 h LEU 68 N 1.15 0.08 -1.35 1.56 7.12 -2.00 -2.67 115.31 119.21 2bw2 h LEU 68 Ca 0.27 -0.07 -0.07 0.00 0.13 0.00 0.00 57.88 58.15 2bw2 h LEU 68 Cb 0.15 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.24 2bw2 h LEU 68 CO -0.03 0.88 -0.31 0.28 -0.13 0.00 0.00 178.44 179.13 2bw2 h SER 69 N 0.03 0.02 0.60 1.25 0.02 -1.85 0.13 113.55 113.75 2bw2 h SER 69 Ca -0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2bw2 h SER 69 Cb 1.47 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.00 2bw2 h SER 69 CO 0.12 0.34 -0.09 0.11 -1.14 0.00 0.00 176.83 176.16 2bw2 h LYS 70 N 0.02 0.00 0.02 3.45 1.57 -1.03 0.27 116.57 120.88 2bw2 h LYS 70 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 2bw2 h LYS 70 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2bw2 h LYS 70 CO 0.04 0.09 -2.36 1.33 -0.57 0.00 0.00 179.45 177.98 2bw2 n VAL 71 N -3.35 1.54 0.08 0.50 0.24 -0.25 -4.69 118.33 112.40 2bw2 n VAL 71 Ca -0.01 -0.63 0.02 0.00 -2.04 0.00 0.00 64.34 61.68 2bw2 n VAL 71 Cb 0.27 -1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 2bw2 n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2bw2 n ASN 72 N -3.23 2.32 -4.67 -1.34 2.85 0.27 -5.07 115.26 106.39 2bw2 n ASN 72 Ca -0.41 -0.27 -0.33 0.00 -0.11 0.00 0.00 54.58 53.46 2bw2 n ASN 72 Cb 1.02 1.10 0.13 0.00 1.24 0.00 0.00 39.78 43.28 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bw2 n GLY 73 N 1.74 -0.20 3.56 8.20 0.00 0.96 -3.37 105.19 116.08 2bw2 n GLY 73 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.21 -1.18 -0.33 1.61 2.02 -1.10 -3.56 117.35 112.61 2bw2 s TYR 74 Ca 0.71 2.11 -0.29 0.00 -0.37 0.00 0.00 57.07 59.24 2bw2 s TYR 74 Cb -0.28 0.67 0.01 0.00 -0.40 0.00 0.00 41.96 41.95 2bw2 s TYR 74 CO 0.53 -0.60 1.26 0.42 -1.57 0.00 0.00 175.55 175.58 2bw2 s ILE 75 N 2.61 4.19 -0.36 2.71 1.01 -1.02 -0.40 121.20 129.94 2bw2 s ILE 75 Ca -0.06 1.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 2bw2 s ILE 75 Cb -0.11 -4.24 0.07 0.00 0.01 0.00 0.00 42.46 38.18 2bw2 s ILE 75 CO -0.18 -0.55 0.12 -0.83 0.00 0.00 0.00 174.94 173.51 2bw2 s GLY 76 N 2.66 1.87 -0.17 6.18 0.00 0.99 -2.80 107.32 116.05 2bw2 s GLY 76 Ca 0.54 -2.00 -0.05 0.00 0.00 0.00 0.00 44.72 43.20 2bw2 s GLY 76 CO 0.23 0.84 0.01 0.14 0.00 0.00 0.00 173.10 174.33 2bw2 s VAL 77 N 1.30 4.29 0.41 1.40 1.01 -0.86 -2.37 120.40 125.57 2bw2 s VAL 77 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2bw2 s VAL 77 Cb -0.21 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2bw2 s VAL 77 CO -0.00 0.47 0.57 -0.44 0.00 0.00 0.00 175.10 175.70 2bw2 s SER 78 N 0.47 5.76 0.43 3.32 0.01 -1.00 -3.85 113.70 118.84 2bw2 s SER 78 Ca -0.00 -0.16 0.23 0.00 1.31 0.00 0.00 55.95 57.33 2bw2 s SER 78 Cb -0.13 -1.06 1.22 0.00 0.21 0.00 0.00 66.02 66.26 2bw2 s SER 78 CO 0.02 -0.67 1.75 -0.78 0.41 0.00 0.00 173.24 173.98 2bw2 h ASP 79 N 0.63 0.35 -0.06 2.44 3.58 -1.97 0.52 116.42 121.90 2bw2 h ASP 79 Ca -0.44 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2bw2 h ASP 79 Cb 1.27 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.35 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 -4.57 0.63 -0.64 2.28 3.02 -1.26 -4.34 115.26 110.39 2bw2 n ASN 80 Ca 0.27 -2.02 -0.04 0.00 -0.03 0.00 0.00 54.58 52.76 2bw2 n ASN 80 Cb 1.02 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.47 0.34 3.61 7.41 0.00 0.18 -3.00 105.19 114.20 2bw2 n GLY 81 Ca 0.02 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 3.93 -0.06 1.61 1.01 -1.02 -0.49 120.40 122.93 2bw2 s VAL 82 Ca 0.03 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2bw2 s VAL 82 Cb -0.01 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.31 2bw2 s VAL 82 CO 0.04 -0.62 1.69 -0.38 0.00 0.00 0.00 175.10 175.83 2bw2 n ILE 83 N 6.79 1.85 -3.52 2.22 2.08 0.12 -2.37 119.36 126.55 2bw2 n ILE 83 Ca 0.17 -0.57 -0.32 0.00 0.56 0.00 0.00 62.75 62.59 2bw2 n ILE 83 Cb 0.47 -1.28 -0.05 0.00 -0.75 0.00 0.00 39.64 38.03 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 1.29 6.57 0.17 4.38 0.15 -1.00 -4.22 113.70 121.05 2bw2 s SER 84 Ca 0.07 0.79 -0.12 0.00 0.70 0.00 0.00 55.95 57.39 2bw2 s SER 84 Cb 0.05 -2.17 -0.07 0.00 -1.71 0.00 0.00 66.02 62.12 2bw2 s SER 84 CO 0.00 -0.03 0.53 0.42 1.20 0.00 0.00 173.24 175.37 2bw2 s THR 85 N -1.76 4.91 0.14 6.45 -4.23 -1.26 -0.00 115.64 119.88 2bw2 s THR 85 Ca 0.45 0.65 0.06 0.00 -1.18 0.00 0.00 61.69 61.66 2bw2 s THR 85 Cb -0.12 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 2bw2 s THR 85 CO 0.23 0.12 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.93 2bw2 s PHE 86 N -1.60 1.43 -0.53 3.99 0.40 0.47 -1.71 117.98 120.43 2bw2 s PHE 86 Ca 0.41 -0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 2bw2 s PHE 86 Cb -0.13 -0.73 0.05 0.00 0.51 0.00 0.00 43.02 42.72 2bw2 s PHE 86 CO 0.20 0.17 0.75 -1.01 0.70 0.00 0.00 175.22 176.02 2bw2 s HIS 87 N -2.42 2.95 0.00 0.36 3.76 -1.20 -2.69 115.29 116.04 2bw2 s HIS 87 Ca 0.12 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2bw2 s HIS 87 Cb -0.03 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.90 2bw2 s HIS 87 CO 0.03 -1.17 0.00 0.41 -0.85 0.00 0.00 174.74 173.16 2bw2 n GLY 88 N 5.16 -0.03 3.64 -2.22 0.00 -1.22 -4.21 105.19 106.33 2bw2 n GLY 88 Ca -0.04 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.17 0.82 -2.19 1.61 5.12 -1.26 -4.54 116.66 116.04 2bw2 n ARG 89 Ca 0.00 0.33 -0.31 0.00 -1.93 0.00 0.00 57.85 55.94 2bw2 n ARG 89 Cb 0.00 -2.27 -0.04 0.00 -1.16 0.00 0.00 32.46 28.98 2bw2 n ARG 89 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2bw2 s PRO 90 N -3.10 2.86 0.11 5.56 0.02 -1.26 -4.58 135.00 134.60 2bw2 s PRO 90 Ca 0.77 -0.80 -0.02 0.00 0.02 0.00 0.00 61.00 60.96 2bw2 s PRO 90 Cb -0.38 -5.20 -0.03 0.00 0.02 0.00 0.00 34.50 28.90 2bw2 s PRO 90 CO 0.46 -3.21 0.06 -1.83 -0.33 0.00 0.00 177.00 172.15 2bw2 s GLU 91 N 6.26 0.85 0.16 5.54 -1.05 -1.26 -4.95 118.70 124.24 2bw2 s GLU 91 Ca 0.64 -1.31 0.18 0.00 -0.15 0.00 0.00 54.97 54.33 2bw2 s GLU 91 Cb -0.03 0.25 0.79 0.00 -0.44 0.00 0.00 34.13 34.70 2bw2 s GLU 91 CO 0.02 -0.23 1.55 -0.35 0.95 0.00 0.00 175.26 177.20 2bw2 n PRO 92 N -0.04 0.10 0.06 -4.83 -0.04 -1.26 -0.81 135.00 128.18 2bw2 n PRO 92 Ca -0.09 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2bw2 n PRO 92 Cb 0.63 -1.72 0.43 0.00 -0.04 0.00 0.00 33.50 32.79 2bw2 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bw2 n ALA 93 N -1.66 2.47 -2.89 0.55 0.00 -1.26 -4.73 120.51 112.99 2bw2 n ALA 93 Ca 0.02 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 2bw2 n ALA 93 Cb 0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.91 6.11 -0.06 0.00 0.01 0.01 -5.09 113.70 110.77 2bw2 s SER 94 Ca 0.11 0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2bw2 s SER 94 Cb 0.15 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2bw2 s SER 94 CO 0.60 0.10 0.40 -1.83 0.41 0.00 0.00 173.24 172.92 2bw2 s GLU 95 N -2.93 4.07 -0.55 12.44 -1.05 -1.26 -4.76 118.70 124.66 2bw2 s GLU 95 Ca 0.33 0.37 -0.27 0.00 -0.15 0.00 0.00 54.97 55.25 2bw2 s GLU 95 Cb -0.11 -3.31 0.03 0.00 -0.44 0.00 0.00 34.13 30.30 2bw2 s GLU 95 CO 0.27 0.49 1.08 -1.25 0.95 0.00 0.00 175.26 176.80 2bw2 s PRO 96 N -0.41 3.49 0.26 -4.83 0.04 -1.26 -3.21 135.00 129.07 2bw2 s PRO 96 Ca 0.23 0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.34 2bw2 s PRO 96 Cb -0.16 -4.00 0.29 0.00 0.04 0.00 0.00 34.50 30.67 2bw2 s PRO 96 CO 0.11 -1.54 1.93 0.82 0.04 0.00 0.00 177.00 178.36 2bw2 h ILE 97 N 6.12 1.25 -1.58 0.56 2.04 -1.71 -3.46 117.51 120.72 2bw2 h ILE 97 Ca -0.25 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2bw2 h ILE 97 Cb 1.06 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2bw2 h ILE 97 CO 1.13 0.25 0.00 0.00 0.00 0.00 0.00 178.15 179.53 2bw2 n GLN 98 N -4.38 0.00 -3.75 2.37 0.00 -1.26 -4.93 117.38 105.43 2bw2 n GLN 98 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.99 2bw2 n GLN 98 Cb 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.15 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 0.18 -0.28 0.00 2.61 0.15 -1.26 -4.66 113.70 110.44 2bw2 s SER 99 Ca 0.00 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2bw2 s SER 99 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2bw2 s SER 99 CO 0.00 -0.13 0.00 0.49 1.20 0.00 0.00 173.24 174.80 2bw2 n PHE 100 N 3.63 0.00 -4.36 3.44 3.72 -1.26 -5.02 117.46 117.61 2bw2 n PHE 100 Ca -0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.02 2bw2 n PHE 100 Cb 0.56 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.67 1.74 -0.18 1.38 0.40 -1.26 -4.98 117.98 114.41 2bw2 s PHE 101 Ca 0.00 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 2bw2 s PHE 101 Cb 0.00 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.71 2bw2 s PHE 101 CO 0.00 0.34 -0.20 -0.65 0.70 0.00 0.00 175.22 175.41 2bw2 s GLN 102 N -3.66 2.93 0.29 0.44 -0.21 -1.23 -0.70 119.66 117.52 2bw2 s GLN 102 Ca 0.24 -0.81 0.11 0.00 0.02 0.00 0.00 55.36 54.91 2bw2 s GLN 102 Cb -0.00 -2.53 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 2bw2 s GLN 102 CO 0.08 -0.21 -0.16 0.96 -2.12 0.00 0.00 175.29 173.83 2bw2 s ILE 103 N 1.31 2.32 -0.55 1.08 -4.36 0.35 -3.20 121.20 118.15 2bw2 s ILE 103 Ca 0.05 -2.33 -0.28 0.00 -0.26 0.00 0.00 60.65 57.82 2bw2 s ILE 103 Cb -0.13 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 41.24 2bw2 s ILE 103 CO -0.13 -0.37 1.18 -0.62 0.24 0.00 0.00 174.94 175.25 2bw2 s ASP 104 N -3.51 6.50 0.33 4.36 2.15 -1.24 -2.45 116.67 122.82 2bw2 s ASP 104 Ca 0.30 0.24 0.05 0.00 0.43 0.00 0.00 52.55 53.57 2bw2 s ASP 104 Cb -0.02 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.64 2bw2 s ASP 104 CO 0.14 -1.41 1.85 -0.07 -0.17 0.00 0.00 175.17 175.51 2bw2 h LEU 105 N 11.72 0.42 -0.01 -1.34 3.38 -1.88 -0.34 115.31 127.26 2bw2 h LEU 105 Ca -0.24 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2bw2 h LEU 105 Cb 1.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2bw2 h LEU 105 CO 1.17 0.56 0.00 -1.84 0.09 0.00 0.00 178.44 178.42 2bw2 n GLU 106 N -4.24 0.01 0.11 1.13 0.28 -1.26 -1.72 120.64 114.95 2bw2 n GLU 106 Ca 0.01 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.24 2bw2 n GLU 106 Cb 0.29 -1.52 0.08 0.00 1.43 0.00 0.00 31.44 31.72 2bw2 n GLU 106 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2bw2 h ARG 107 N 0.00 0.00 -7.06 3.44 0.11 -1.46 -3.46 114.38 105.95 2bw2 h ARG 107 Ca 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.68 2bw2 h ARG 107 Cb 0.40 0.00 0.22 0.00 1.11 0.00 0.00 29.97 31.70 2bw2 h ARG 107 CO 0.00 0.00 -0.08 -0.51 0.10 0.00 0.00 179.97 179.48 2bw2 s LEU 108 N -5.13 -0.41 0.00 0.08 1.02 -0.70 -5.03 118.68 108.51 2bw2 s LEU 108 Ca 0.03 1.15 0.00 0.00 0.02 0.00 0.00 54.13 55.33 2bw2 s LEU 108 Cb 0.10 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.55 2bw2 s LEU 108 CO 0.75 -4.98 0.09 -0.62 0.02 0.00 0.00 176.35 171.61 2bw2 n GLU 109 N -5.41 0.00 0.00 1.70 1.02 -1.26 -5.05 120.64 111.64 2bw2 n GLU 109 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2bw2 n GLU 109 Cb 0.57 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.14 0.00 0.14 1.62 7.64 -1.26 -4.99 113.62 116.64 2bw2 n SER 110 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2bw2 n SER 110 Cb 0.00 0.07 0.44 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.31 1.43 2.07 -1.98 -3.07 115.15 113.28 2bw2 h HIS 111 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 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 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.91 2bw2 h MET 112 N 0.00 0.52 -0.25 5.12 3.00 -1.99 0.24 114.93 121.57 2bw2 h MET 112 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 59.70 59.43 2bw2 h MET 112 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 31.60 32.13 2bw2 h MET 112 CO 0.00 0.62 -0.37 -0.56 0.00 0.00 0.00 176.91 176.60 2bw2 h GLN 113 N 0.35 0.56 0.00 -0.10 -0.00 -1.90 -2.16 115.11 111.86 2bw2 h GLN 113 Ca 0.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 58.46 2bw2 h GLN 113 Cb 0.36 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.83 2bw2 h GLN 113 CO 0.01 0.85 -0.09 0.87 -0.00 0.00 0.00 178.83 180.46 2bw2 h LYS 114 N 0.47 0.00 -0.40 0.06 1.57 -1.46 0.41 116.57 117.22 2bw2 h LYS 114 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2bw2 h LYS 114 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2bw2 h LYS 114 CO 0.07 0.09 -0.31 -0.97 -0.57 0.00 0.00 179.45 177.76 2bw2 h ASN 115 N 0.00 0.97 0.10 0.86 -1.24 -0.31 -2.00 115.58 113.96 2bw2 h ASN 115 Ca -0.00 -0.44 -0.08 0.00 0.71 0.00 0.00 56.30 56.49 2bw2 h ASN 115 Cb 0.17 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2bw2 h ASN 115 CO 0.01 1.20 -0.27 -0.07 -1.29 0.00 0.00 177.43 177.02 2bw2 h LEU 116 N 0.74 0.28 -0.84 0.34 3.38 -0.91 -0.68 115.31 117.63 2bw2 h LEU 116 Ca 0.08 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2bw2 h LEU 116 Cb 0.89 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2bw2 h LEU 116 CO 0.08 0.55 -0.41 -0.07 0.09 0.00 0.00 178.44 178.69 2bw2 h LEU 117 N 0.25 0.38 0.00 1.67 3.38 -0.69 -2.26 115.31 118.04 2bw2 h LEU 117 Ca 0.04 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2bw2 h LEU 117 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2bw2 h LEU 117 CO 0.04 0.75 -1.08 0.07 0.09 0.00 0.00 178.44 178.32 2bw2 h LYS 118 N 0.30 0.00 0.00 1.13 2.10 -0.88 -3.41 116.57 115.81 2bw2 h LYS 118 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2bw2 h LYS 118 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2bw2 h LYS 118 CO 0.07 0.30 0.00 0.41 -2.00 0.00 0.00 179.45 178.23 2bw2 n GLY 119 N 1.31 3.00 3.67 0.07 0.00 -0.31 -4.47 105.19 108.47 2bw2 n GLY 119 Ca -0.05 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 5.00 -0.23 -0.61 -1.09 -1.12 -4.87 121.20 118.28 2bw2 s ILE 120 Ca 0.00 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 2bw2 s ILE 120 Cb 0.00 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2bw2 s ILE 120 CO 0.00 0.12 0.45 -0.81 -1.23 0.00 0.00 174.94 173.47 2bw2 n PRO 121 N 4.86 0.51 -1.16 2.79 -0.04 -1.26 -2.44 135.00 138.26 2bw2 n PRO 121 Ca -0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2bw2 n PRO 121 Cb 0.50 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.63 -3.01 -4.09 0.54 3.01 -1.23 -4.88 117.46 108.43 2bw2 n PHE 122 Ca 0.00 1.58 -0.13 0.00 1.01 0.00 0.00 57.45 59.91 2bw2 n PHE 122 Cb 0.23 -2.74 -0.05 0.00 -0.01 0.00 0.00 39.48 36.91 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 -3.02 1.75 0.90 -1.08 0.52 -1.26 -5.07 118.95 111.68 2bw2 s ARG 123 Ca 0.00 -1.65 -0.14 0.00 -0.52 0.00 0.00 55.73 53.42 2bw2 s ARG 123 Cb 0.00 0.42 0.15 0.00 0.52 0.00 0.00 34.95 36.05 2bw2 s ARG 123 CO 0.00 -0.71 1.27 0.99 0.02 0.00 0.00 175.30 176.87 2bw2 s THR 124 N -3.40 2.00 0.18 0.02 2.01 -1.26 -4.58 115.64 110.61 2bw2 s THR 124 Ca 0.30 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.16 2bw2 s THR 124 Cb 0.00 -3.00 0.11 0.00 0.01 0.00 0.00 72.50 69.63 2bw2 s THR 124 CO 0.17 0.00 1.69 0.07 -0.69 0.00 0.00 174.62 175.86 2bw2 h LYS 125 N -1.41 0.10 0.00 4.92 2.10 -1.97 0.47 116.57 120.77 2bw2 h LYS 125 Ca -0.45 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.11 2bw2 h LYS 125 Cb 1.27 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2bw2 h LYS 125 CO 0.49 0.07 -0.40 0.00 -2.00 0.00 0.00 179.45 177.60 2bw2 h ALA 126 N 1.42 0.84 0.00 0.07 0.00 -1.92 -1.05 119.26 118.61 2bw2 h ALA 126 Ca 0.23 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2bw2 h ALA 126 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2bw2 h ALA 126 CO -0.39 0.51 -0.88 0.93 0.00 0.00 0.00 179.25 179.41 2bw2 h GLU 127 N 0.00 0.00 0.02 0.00 5.08 -1.44 -1.07 114.58 117.17 2bw2 h GLU 127 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bw2 h GLU 127 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2bw2 h GLU 127 CO 0.05 0.69 -0.01 0.35 -1.00 0.00 0.00 179.01 179.10 2bw2 h PHE 128 N 0.00 -0.02 0.00 4.33 3.04 0.26 -2.50 116.94 122.04 2bw2 h PHE 128 Ca -0.04 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2bw2 h PHE 128 Cb 1.61 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 40.13 2bw2 h PHE 128 CO 0.00 0.65 -0.03 1.05 -2.02 0.00 0.00 178.31 177.96 2bw2 h GLU 129 N -0.72 0.00 -0.25 1.11 4.11 -1.23 0.33 114.58 117.93 2bw2 h GLU 129 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2bw2 h GLU 129 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2bw2 h GLU 129 CO 0.00 0.03 -0.04 0.22 0.07 0.00 0.00 179.01 179.29 2bw2 h ASP 130 N 0.00 0.48 -0.03 3.06 1.82 -1.10 0.22 116.42 120.87 2bw2 h ASP 130 Ca -0.00 -0.35 -0.22 0.00 -0.39 0.00 0.00 57.03 56.07 2bw2 h ASP 130 Cb 0.35 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.24 2bw2 h ASP 130 CO 0.00 0.72 -0.80 1.62 -1.61 0.00 0.00 179.24 179.17 2bw2 h VAL 131 N 0.23 1.30 -0.62 2.25 3.04 -0.98 -3.10 116.25 118.37 2bw2 h VAL 131 Ca 0.07 -2.05 -0.05 0.00 -1.01 0.00 0.00 66.70 63.65 2bw2 h VAL 131 Cb 0.50 2.06 -0.03 0.00 -2.01 0.00 0.00 31.29 31.81 2bw2 h VAL 131 CO 0.02 0.64 0.17 0.40 -1.01 0.00 0.00 177.57 177.79 2bw2 h ILE 132 N 0.46 1.24 -0.06 3.17 5.03 -0.87 -0.48 117.51 126.00 2bw2 h ILE 132 Ca -0.06 -0.85 -0.08 0.00 -0.12 0.00 0.00 64.86 63.75 2bw2 h ILE 132 Cb 1.42 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.78 2bw2 h ILE 132 CO 0.16 0.33 -0.34 1.05 -0.68 0.00 0.00 178.15 178.67 2bw2 h GLU 133 N 0.92 0.12 -0.02 2.37 4.11 -0.60 -0.10 114.58 121.37 2bw2 h GLU 133 Ca 0.20 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.38 2bw2 h GLU 133 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2bw2 h GLU 133 CO -0.00 0.44 -0.88 1.25 0.07 0.00 0.00 179.01 179.89 2bw2 h HIS 134 N 0.10 0.59 -0.28 2.06 2.76 -1.31 -2.33 115.15 116.74 2bw2 h HIS 134 Ca 0.01 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 57.86 2bw2 h HIS 134 Cb 0.65 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 2bw2 h HIS 134 CO 0.01 1.10 0.08 0.52 -1.30 0.00 0.00 177.93 178.34 2bw2 h MET 135 N 0.24 0.44 0.00 5.26 2.86 -0.55 -2.96 114.93 120.23 2bw2 h MET 135 Ca -0.06 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2bw2 h MET 135 Cb 1.50 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2bw2 h MET 135 CO 0.15 0.51 0.00 1.57 1.06 0.00 0.00 176.91 180.20 2bw2 h LYS 136 N 0.29 0.00 0.00 1.72 2.10 -0.97 -2.02 116.57 117.69 2bw2 h LYS 136 Ca 0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 2bw2 h LYS 136 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2bw2 h LYS 136 CO -0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.33 2bw2 h THR 137 N 0.00 0.70 0.00 0.07 1.03 -1.24 -2.88 112.91 110.60 2bw2 h THR 137 Ca 0.00 -0.49 -0.02 0.00 -0.01 0.00 0.00 66.41 65.89 2bw2 h THR 137 Cb 0.47 1.30 -0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2bw2 h THR 137 CO 0.00 0.12 -0.20 1.88 -0.01 0.00 0.00 175.52 177.31 2bw2 h TYR 138 N 0.00 0.00 -0.57 0.00 0.05 -1.49 -3.47 116.97 111.49 2bw2 h TYR 138 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 2bw2 h TYR 138 Cb 0.29 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 2bw2 h TYR 138 CO 0.00 0.27 -0.14 -1.13 -1.05 0.00 0.00 178.16 176.11 2bw2 n SER 139 N -4.69 -4.52 0.00 3.88 3.41 -1.06 -4.92 113.62 105.72 2bw2 n SER 139 Ca -0.05 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2bw2 n SER 139 Cb 0.19 -3.36 0.00 0.00 -0.26 0.00 0.00 64.21 60.78 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49