#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 1.09 0.71 0.00 1.03 -1.26 -4.79 118.70 115.48 2bw2 s GLU 2 Ca 0.00 -0.80 -0.08 0.00 0.03 0.00 0.00 54.97 54.12 2bw2 s GLU 2 Cb 0.00 0.45 0.05 0.00 -0.80 0.00 0.00 34.13 33.84 2bw2 s GLU 2 CO 0.00 -0.42 1.04 0.14 -1.33 0.00 0.00 175.26 174.69 2bw2 s VAL 3 N -3.83 2.49 -0.15 1.83 -7.23 -1.26 -4.96 120.40 107.29 2bw2 s VAL 3 Ca 0.05 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 2bw2 s VAL 3 Cb 0.02 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2bw2 s VAL 3 CO -0.10 -0.11 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.76 2bw2 s GLU 4 N -5.29 2.96 2.21 4.82 2.02 -1.26 -5.03 118.70 119.13 2bw2 s GLU 4 Ca 0.60 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2bw2 s GLU 4 Cb -0.11 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.70 2bw2 s GLU 4 CO 0.46 -0.06 0.00 0.72 0.02 0.00 0.00 175.26 176.41 2bw2 n HIS 5 N 4.19 -0.89 0.71 1.61 8.25 -1.26 -3.88 115.22 123.95 2bw2 n HIS 5 Ca -0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.38 2bw2 n HIS 5 Cb 0.51 0.13 0.30 0.00 1.12 0.00 0.00 29.99 32.05 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bw2 n TYR 6 N -0.37 0.48 -1.03 4.41 4.01 -1.26 -4.90 117.16 118.49 2bw2 n TYR 6 Ca 0.00 0.14 -0.33 0.00 -0.16 0.00 0.00 57.90 57.55 2bw2 n TYR 6 Cb 0.00 -0.64 0.13 0.00 -0.31 0.00 0.00 39.34 38.53 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 -3.10 1.53 0.88 -0.72 2.02 -1.25 -5.00 118.70 113.06 2bw2 s GLU 7 Ca 0.09 1.67 -0.13 0.00 0.02 0.00 0.00 54.97 56.63 2bw2 s GLU 7 Cb 0.15 -1.77 0.12 0.00 0.10 0.00 0.00 34.13 32.72 2bw2 s GLU 7 CO 0.66 -2.28 1.18 -1.25 0.02 0.00 0.00 175.26 173.59 2bw2 s PRO 8 N -4.29 1.40 -0.24 0.39 0.04 -1.26 -4.59 135.00 126.45 2bw2 s PRO 8 Ca 0.71 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 2bw2 s PRO 8 Cb -0.26 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2bw2 s PRO 8 CO 0.52 -1.98 -0.04 -1.17 0.04 0.00 0.00 177.00 174.37 2bw2 s LEU 9 N -5.83 3.05 -0.63 -3.56 1.98 0.14 -4.81 118.68 109.02 2bw2 s LEU 9 Ca 0.64 -0.58 -0.27 0.00 -2.89 0.00 0.00 54.13 51.04 2bw2 s LEU 9 Cb -0.12 -1.72 0.00 0.00 0.66 0.00 0.00 46.19 45.01 2bw2 s LEU 9 CO 0.51 -0.07 1.56 -1.10 -1.89 0.00 0.00 176.35 175.37 2bw2 s GLN 10 N 1.43 2.99 -0.14 1.98 -0.21 -1.26 -0.74 119.66 123.71 2bw2 s GLN 10 Ca 0.04 0.33 -0.05 0.00 0.02 0.00 0.00 55.36 55.69 2bw2 s GLN 10 Cb -0.15 -4.25 -0.04 0.00 1.00 0.00 0.00 33.01 29.57 2bw2 s GLN 10 CO -0.03 -2.32 0.04 0.08 -2.12 0.00 0.00 175.29 170.93 2bw2 s VAL 11 N 7.21 4.62 -0.36 1.09 1.01 0.77 -4.55 120.40 130.19 2bw2 s VAL 11 Ca 0.54 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 2bw2 s VAL 11 Cb -0.11 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.30 2bw2 s VAL 11 CO 0.20 0.53 0.15 -1.00 0.00 0.00 0.00 175.10 174.98 2bw2 s HIS 12 N -0.22 3.31 -0.12 5.22 3.76 0.71 -0.22 115.29 127.73 2bw2 s HIS 12 Ca 0.07 -1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 53.30 2bw2 s HIS 12 Cb -0.12 -2.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 2bw2 s HIS 12 CO 0.02 -0.78 0.28 0.14 -0.85 0.00 0.00 174.74 173.54 2bw2 s VAL 13 N 1.38 5.29 -0.37 -0.90 -7.23 0.53 -0.86 120.40 118.25 2bw2 s VAL 13 Ca 0.00 0.53 -0.10 0.00 -1.81 0.00 0.00 61.98 60.60 2bw2 s VAL 13 Cb -0.21 -3.59 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2bw2 s VAL 13 CO 0.02 0.48 0.18 -1.58 -0.31 0.00 0.00 175.10 173.90 2bw2 s GLN 14 N -0.21 2.78 -0.38 4.82 -0.44 0.27 -0.89 119.66 125.60 2bw2 s GLN 14 Ca 0.17 -1.10 -0.09 0.00 -2.50 0.00 0.00 55.36 51.84 2bw2 s GLN 14 Cb -0.14 -3.67 0.05 0.00 -1.64 0.00 0.00 33.01 27.61 2bw2 s GLN 14 CO 0.06 -0.69 0.20 -0.51 0.50 0.00 0.00 175.29 174.85 2bw2 s LEU 15 N 1.52 4.81 0.01 3.68 1.43 0.72 -1.19 118.68 129.66 2bw2 s LEU 15 Ca 0.01 -1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 51.68 2bw2 s LEU 15 Cb -0.19 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 2bw2 s LEU 15 CO 0.06 -0.44 0.54 -1.61 0.23 0.00 0.00 176.35 175.14 2bw2 s GLU 16 N 1.47 4.22 -0.41 1.70 2.02 -0.06 -0.77 118.70 126.85 2bw2 s GLU 16 Ca 0.02 0.65 -0.08 0.00 0.02 0.00 0.00 54.97 55.58 2bw2 s GLU 16 Cb -0.21 -3.30 0.09 0.00 0.10 0.00 0.00 34.13 30.81 2bw2 s GLU 16 CO 0.04 0.49 0.24 0.15 0.02 0.00 0.00 175.26 176.20 2bw2 s LYS 17 N -0.57 2.47 -0.50 1.61 -0.14 0.46 0.21 119.74 123.29 2bw2 s LYS 17 Ca 0.29 -1.54 -0.21 0.00 -1.36 0.00 0.00 55.97 53.14 2bw2 s LYS 17 Cb -0.18 -3.72 0.04 0.00 -1.68 0.00 0.00 37.83 32.29 2bw2 s LYS 17 CO 0.16 -0.98 0.74 0.08 -0.76 0.00 0.00 175.35 174.60 2bw2 s VAL 18 N 1.36 4.69 0.52 3.17 1.01 0.19 -2.26 120.40 129.07 2bw2 s VAL 18 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2bw2 s VAL 18 Cb -0.23 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2bw2 s VAL 18 CO 0.00 -0.85 0.85 -0.31 0.00 0.00 0.00 175.10 174.80 2bw2 s TYR 19 N 3.14 3.58 0.20 5.22 1.51 -1.26 -1.22 117.35 128.50 2bw2 s TYR 19 Ca 0.23 0.96 -0.11 0.00 -1.01 0.00 0.00 57.07 57.13 2bw2 s TYR 19 Cb -0.15 -2.43 0.16 0.00 -0.11 0.00 0.00 41.96 39.43 2bw2 s TYR 19 CO 0.17 -0.38 1.83 -0.07 -1.11 0.00 0.00 175.55 175.99 2bw2 h LEU 20 N 0.13 0.63 -1.46 -1.29 3.38 -1.70 -3.06 115.31 111.94 2bw2 h LEU 20 Ca -0.46 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.69 2bw2 h LEU 20 Cb 1.20 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2bw2 h LEU 20 CO 0.62 0.44 0.57 -0.78 0.09 0.00 0.00 178.44 179.38 2bw2 h ASP 21 N 0.76 0.47 0.00 -0.43 3.58 -1.93 -3.46 116.42 115.41 2bw2 h ASP 21 Ca 0.25 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2bw2 h ASP 21 Cb 0.02 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2bw2 h ASP 21 CO -0.10 0.21 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 2bw2 n GLY 22 N -1.49 1.26 3.60 -0.78 0.00 -1.16 -4.63 105.19 102.00 2bw2 n GLY 22 Ca 0.18 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2bw2 n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw2 s ASP 23 N -0.54 6.67 0.28 1.61 2.15 -1.26 -4.78 116.67 120.80 2bw2 s ASP 23 Ca 0.00 0.53 0.07 0.00 0.43 0.00 0.00 52.55 53.58 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 -1.16 0.25 0.68 -0.17 0.00 0.00 175.17 174.77 2bw2 s VAL 24 N 4.22 4.23 -0.24 1.11 -7.23 -1.26 -4.36 120.40 116.87 2bw2 s VAL 24 Ca 0.46 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.19 2bw2 s VAL 24 Cb -0.08 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2bw2 s VAL 24 CO 0.28 -0.29 0.15 -0.55 -0.31 0.00 0.00 175.10 174.38 2bw2 s SER 25 N -3.91 6.02 -0.34 4.85 0.15 -0.96 -4.91 113.70 114.59 2bw2 s SER 25 Ca 0.36 0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 2bw2 s SER 25 Cb -0.07 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2bw2 s SER 25 CO 0.26 0.06 0.25 -0.63 1.20 0.00 0.00 173.24 174.38 2bw2 s ILE 26 N 1.08 5.28 0.06 6.45 -1.09 -1.26 -0.40 121.20 131.32 2bw2 s ILE 26 Ca 0.07 -0.23 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 2bw2 s ILE 26 Cb -0.14 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2bw2 s ILE 26 CO 0.05 -0.03 -0.13 -0.70 -1.23 0.00 0.00 174.94 172.90 2bw2 s GLU 27 N 1.73 2.15 -0.22 2.79 2.56 0.05 -4.96 118.70 122.81 2bw2 s GLU 27 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 54.97 54.05 2bw2 s GLU 27 Cb -0.17 -2.28 0.06 0.00 2.00 0.00 0.00 34.13 33.74 2bw2 s GLU 27 CO 0.11 0.53 0.02 -1.01 -0.56 0.00 0.00 175.26 174.35 2bw2 s HIS 28 N -1.07 1.44 0.21 5.30 3.76 -1.26 -0.20 115.29 123.48 2bw2 s HIS 28 Ca 0.18 -1.18 0.09 0.00 -0.15 0.00 0.00 55.06 54.00 2bw2 s HIS 28 Cb -0.11 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2bw2 s HIS 28 CO 0.09 -0.68 -0.09 0.15 -0.85 0.00 0.00 174.74 173.36 2bw2 s LYS 29 N 1.72 2.05 -0.21 1.40 1.02 -0.07 -4.96 119.74 120.68 2bw2 s LYS 29 Ca -0.01 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 54.63 2bw2 s LYS 29 Cb -0.18 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2bw2 s LYS 29 CO -0.09 0.41 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.25 2bw2 s HIS 30 N -1.92 2.63 -0.03 3.18 -3.43 -1.26 -0.34 115.29 114.11 2bw2 s HIS 30 Ca 0.27 -1.75 0.03 0.00 -0.80 0.00 0.00 55.06 52.80 2bw2 s HIS 30 Cb -0.08 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 29.35 2bw2 s HIS 30 CO 0.16 -0.78 -0.11 -1.83 -2.00 0.00 0.00 174.74 170.18 2bw2 s GLU 31 N 1.32 1.17 -0.27 -0.38 -1.05 0.69 -4.95 118.70 115.22 2bw2 s GLU 31 Ca -0.02 -0.38 -0.14 0.00 -0.15 0.00 0.00 54.97 54.28 2bw2 s GLU 31 Cb -0.17 -1.06 -0.04 0.00 -0.44 0.00 0.00 34.13 32.42 2bw2 s GLU 31 CO -0.08 0.15 0.34 0.15 0.95 0.00 0.00 175.26 176.76 2bw2 s LYS 32 N 0.15 3.99 -0.06 -4.83 1.02 -1.25 -0.16 119.74 118.60 2bw2 s LYS 32 Ca -0.03 -0.05 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2bw2 s LYS 32 Cb -0.09 -3.66 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2bw2 s LYS 32 CO 0.01 -0.27 -0.20 0.54 -0.92 0.00 0.00 175.35 174.51 2bw2 s VAL 33 N 2.01 1.68 -0.29 3.17 0.11 0.08 -4.74 120.40 122.41 2bw2 s VAL 33 Ca 0.13 -0.83 0.19 0.00 -2.93 0.00 0.00 61.98 58.54 2bw2 s VAL 33 Cb -0.16 -1.44 0.18 0.00 -1.53 0.00 0.00 36.38 33.43 2bw2 s VAL 33 CO 0.10 0.47 1.48 -0.26 -3.33 0.00 0.00 175.10 173.57 2bw2 h PHE 34 N 6.41 0.00 -3.25 1.54 -1.00 -1.87 0.41 116.94 119.18 2bw2 h PHE 34 Ca -0.29 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.04 2bw2 h PHE 34 Cb 1.19 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.37 2bw2 h PHE 34 CO 0.45 0.26 -0.76 0.45 -1.61 0.00 0.00 178.31 177.09 2bw2 s SER 35 N -6.28 1.76 0.52 2.17 0.15 -1.26 -4.84 113.70 105.91 2bw2 s SER 35 Ca 0.05 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.69 2bw2 s SER 35 Cb 0.07 -0.44 1.28 0.00 -1.71 0.00 0.00 66.02 65.21 2bw2 s SER 35 CO 0.72 -0.22 2.12 0.24 1.20 0.00 0.00 173.24 177.30 2bw2 h MET 36 N 8.33 0.02 -0.14 5.44 2.86 -1.87 -0.47 114.93 129.11 2bw2 h MET 36 Ca -0.19 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.34 2bw2 h MET 36 Cb 1.12 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2bw2 h MET 36 CO 0.27 0.01 -0.42 0.22 1.06 0.00 0.00 176.91 178.05 2bw2 h ASP 37 N 0.02 0.33 -0.57 1.22 3.58 -1.95 0.25 116.42 119.30 2bw2 h ASP 37 Ca 0.05 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 2bw2 h ASP 37 Cb 0.18 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2bw2 h ASP 37 CO -0.00 0.72 -0.05 -0.78 -2.88 0.00 0.00 179.24 176.25 2bw2 h ASP 38 N 0.26 1.04 -0.32 2.28 3.58 -1.52 -0.46 116.42 121.28 2bw2 h ASP 38 Ca 0.02 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 2bw2 h ASP 38 Cb 0.86 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2bw2 h ASP 38 CO 0.07 1.11 0.17 0.15 -2.88 0.00 0.00 179.24 177.86 2bw2 h PHE 39 N 0.93 0.45 -0.65 0.28 3.04 -0.88 0.14 116.94 120.25 2bw2 h PHE 39 Ca 0.16 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 2bw2 h PHE 39 Cb 0.61 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 2bw2 h PHE 39 CO 0.04 0.37 0.20 -1.49 -2.02 0.00 0.00 178.31 175.41 2bw2 h TRP 40 N 0.39 1.02 0.00 0.41 -0.00 -0.63 -0.89 115.95 116.24 2bw2 h TRP 40 Ca 0.11 -0.09 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 2bw2 h TRP 40 Cb 0.08 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 28.93 2bw2 h TRP 40 CO -0.03 0.82 -0.49 0.00 -0.00 0.00 0.00 178.44 178.74 2bw2 h ALA 41 N 1.26 1.04 -0.12 1.49 0.00 -0.80 0.18 119.26 122.31 2bw2 h ALA 41 Ca 0.21 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2bw2 h ALA 41 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bw2 h ALA 41 CO -0.01 0.62 -0.68 0.00 0.00 0.00 0.00 179.25 179.17 2bw2 h ALA 42 N 1.51 0.59 -0.19 0.00 0.00 0.35 -3.27 119.26 118.25 2bw2 h ALA 42 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2bw2 h ALA 42 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bw2 h ALA 42 CO 0.06 0.73 0.00 0.66 0.00 0.00 0.00 179.25 180.70 2bw2 n TYR 43 N -3.89 0.62 -0.31 0.00 4.01 -0.45 -4.71 117.16 112.43 2bw2 n TYR 43 Ca -0.04 -0.85 0.28 0.00 -0.16 0.00 0.00 57.90 57.13 2bw2 n TYR 43 Cb 0.68 -0.23 0.62 0.00 -0.31 0.00 0.00 39.34 40.10 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bw2 h ALA 44 N 1.31 2.61 0.00 -0.72 0.00 -0.68 -0.29 119.26 121.48 2bw2 h ALA 44 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2bw2 h ALA 44 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2bw2 h ALA 44 CO 0.13 -0.98 -0.34 0.78 0.00 0.00 0.00 179.25 178.84 2bw2 h GLY 45 N 0.21 0.00 -1.40 0.00 0.00 -1.86 -3.45 103.07 96.58 2bw2 h GLY 45 Ca 0.57 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.40 2bw2 h GLY 45 CO -0.17 0.00 0.37 -0.98 0.00 0.00 0.00 176.54 175.76 2bw2 s TRP 46 N -3.36 3.08 -0.30 5.60 0.52 -0.12 -4.97 118.94 119.39 2bw2 s TRP 46 Ca 0.02 1.44 -0.19 0.00 0.02 0.00 0.00 56.10 57.39 2bw2 s TRP 46 Cb 0.09 -2.91 -0.01 0.00 -1.15 0.00 0.00 33.47 29.49 2bw2 s TRP 46 CO 0.69 -1.22 0.58 0.99 0.02 0.00 0.00 176.95 178.01 2bw2 s THR 47 N -2.94 4.98 -0.37 2.01 2.01 0.12 -4.88 115.64 116.57 2bw2 s THR 47 Ca 0.59 0.80 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2bw2 s THR 47 Cb -0.14 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2bw2 s THR 47 CO 0.52 -0.09 1.15 -0.22 -0.69 0.00 0.00 174.62 175.29 2bw2 s LEU 48 N 2.50 3.81 -0.21 4.42 1.98 -1.26 -0.71 118.68 129.21 2bw2 s LEU 48 Ca 0.23 0.88 -0.19 0.00 -2.89 0.00 0.00 54.13 52.15 2bw2 s LEU 48 Cb -0.15 -3.54 -0.18 0.00 0.66 0.00 0.00 46.19 42.97 2bw2 s LEU 48 CO 0.11 -1.06 0.14 0.52 -1.89 0.00 0.00 176.35 174.17 2bw2 n VAL 49 N 6.31 1.55 -3.57 1.68 0.31 -0.02 -5.00 118.33 119.59 2bw2 n VAL 49 Ca 0.13 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2bw2 n VAL 49 Cb 0.48 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 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 -2.40 1.13 -0.09 5.55 -1.05 -1.06 -5.02 118.70 115.75 2bw2 s GLU 50 Ca -0.30 -0.60 -0.08 0.00 -0.15 0.00 0.00 54.97 53.84 2bw2 s GLU 50 Cb 0.07 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 2bw2 s GLU 50 CO 0.59 -0.45 0.24 1.14 0.95 0.00 0.00 175.26 177.73 2bw2 s GLN 51 N -3.66 0.28 0.34 -4.83 -2.07 -1.26 -0.23 119.66 108.23 2bw2 s GLN 51 Ca 0.02 0.36 0.05 0.00 -1.82 0.00 0.00 55.36 53.96 2bw2 s GLN 51 Cb 0.01 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 2bw2 s GLN 51 CO -0.11 -0.05 0.21 -1.59 -1.32 0.00 0.00 175.29 172.43 2bw2 s LYS 52 N 0.23 1.76 -0.72 9.60 -2.85 0.53 -5.01 119.74 123.28 2bw2 s LYS 52 Ca -0.01 -2.03 -0.26 0.00 -1.00 0.00 0.00 55.97 52.67 2bw2 s LYS 52 Cb -0.02 -0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.67 2bw2 s LYS 52 CO -0.01 -0.56 2.05 0.21 0.10 0.00 0.00 175.35 177.15 2bw2 s LYS 53 N -3.62 2.37 0.00 1.78 2.47 -1.26 -2.32 119.74 119.16 2bw2 s LYS 53 Ca 0.35 0.38 0.00 0.00 -1.56 0.00 0.00 55.97 55.14 2bw2 s LYS 53 Cb 0.03 -4.72 0.00 0.00 -1.46 0.00 0.00 37.83 31.68 2bw2 s LYS 53 CO 0.21 -3.30 0.00 0.41 0.16 0.00 0.00 175.35 172.84 2bw2 n GLY 54 N 6.32 0.41 2.90 5.54 0.00 -1.26 -5.04 105.19 114.05 2bw2 n GLY 54 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 -0.11 0.01 1.61 6.14 -0.98 -0.20 117.35 121.81 2bw2 s TYR 55 Ca 0.00 0.35 0.05 0.00 0.64 0.00 0.00 57.07 58.11 2bw2 s TYR 55 Cb 0.00 -0.09 -0.01 0.00 0.42 0.00 0.00 41.96 42.27 2bw2 s TYR 55 CO 0.00 -0.12 -0.15 0.08 0.64 0.00 0.00 175.55 176.00 2bw2 s VAL 56 N 0.90 1.17 -0.26 3.14 1.01 -0.04 -0.35 120.40 125.99 2bw2 s VAL 56 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2bw2 s VAL 56 Cb -0.09 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.33 2bw2 s VAL 56 CO -0.04 0.23 -0.08 -0.22 0.00 0.00 0.00 175.10 174.99 2bw2 s LEU 57 N -0.60 3.38 0.01 3.92 2.96 0.68 -0.56 118.68 128.47 2bw2 s LEU 57 Ca 0.05 -1.21 0.09 0.00 -0.22 0.00 0.00 54.13 52.84 2bw2 s LEU 57 Cb -0.06 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2bw2 s LEU 57 CO 0.00 -0.18 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.23 2bw2 s PHE 58 N 1.19 2.33 -0.06 5.38 0.08 -0.34 -0.84 117.98 125.73 2bw2 s PHE 58 Ca -0.05 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.62 2bw2 s PHE 58 Cb -0.19 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2bw2 s PHE 58 CO -0.05 0.04 -0.22 -0.98 -0.10 0.00 0.00 175.22 173.91 2bw2 s ARG 59 N -0.91 2.32 -0.19 0.44 1.70 0.11 -0.88 118.95 121.55 2bw2 s ARG 59 Ca 0.11 -0.78 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2bw2 s ARG 59 Cb -0.10 -1.95 0.03 0.00 -0.57 0.00 0.00 34.95 32.36 2bw2 s ARG 59 CO 0.00 0.30 -0.17 0.21 -1.08 0.00 0.00 175.30 174.56 2bw2 s LYS 60 N 0.00 2.72 0.13 3.89 2.47 0.13 0.12 119.74 129.21 2bw2 s LYS 60 Ca -0.06 -0.87 0.01 0.00 -1.56 0.00 0.00 55.97 53.48 2bw2 s LYS 60 Cb -0.14 -2.55 -0.04 0.00 -1.46 0.00 0.00 37.83 33.65 2bw2 s LYS 60 CO 0.04 -0.28 0.29 1.14 0.16 0.00 0.00 175.35 176.70 2bw2 s GLN 61 N 1.29 3.47 0.23 4.03 0.00 -1.26 -0.64 119.66 126.78 2bw2 s GLN 61 Ca 0.03 -0.47 0.01 0.00 -0.00 0.00 0.00 55.36 54.92 2bw2 s GLN 61 Cb -0.14 -2.95 -0.05 0.00 0.00 0.00 0.00 33.01 29.87 2bw2 s GLN 61 CO -0.11 0.52 0.09 0.00 0.00 0.00 0.00 175.29 175.78 2bw2 s MET 62 N -3.01 1.29 0.20 9.60 0.23 -0.36 -4.84 119.30 122.42 2bw2 s MET 62 Ca 0.36 -1.68 0.23 0.00 -1.03 0.00 0.00 55.69 53.57 2bw2 s MET 62 Cb -0.12 -0.12 0.17 0.00 -1.53 0.00 0.00 34.83 33.23 2bw2 s MET 62 CO 0.28 -0.29 1.21 0.22 -2.03 0.00 0.00 175.02 174.41 2bw2 h ASP 63 N 2.51 0.00 -3.09 -1.18 3.58 -1.99 -3.35 116.42 112.89 2bw2 h ASP 63 Ca -0.37 -0.08 -0.47 0.00 0.42 0.00 0.00 57.03 56.53 2bw2 h ASP 63 Cb 1.24 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.32 2bw2 h ASP 63 CO 0.59 0.04 -0.01 -0.62 -2.88 0.00 0.00 179.24 176.37 2bw2 s ASP 64 N -5.02 5.87 0.49 2.28 2.15 -1.26 -4.80 116.67 116.38 2bw2 s ASP 64 Ca 0.03 0.50 0.06 0.00 0.43 0.00 0.00 52.55 53.56 2bw2 s ASP 64 Cb 0.10 -1.72 0.03 0.00 -0.30 0.00 0.00 42.92 41.04 2bw2 s ASP 64 CO 0.75 -0.74 0.68 0.27 -0.17 0.00 0.00 175.17 175.96 2bw2 s ILE 65 N -2.67 2.75 0.31 4.11 -4.36 -1.26 -3.61 121.20 116.47 2bw2 s ILE 65 Ca 0.49 -0.88 -0.29 0.00 -0.26 0.00 0.00 60.65 59.70 2bw2 s ILE 65 Cb -0.10 -2.87 -0.11 0.00 1.25 0.00 0.00 42.46 40.63 2bw2 s ILE 65 CO 0.40 0.00 1.47 -0.44 0.24 0.00 0.00 174.94 176.61 2bw2 s SER 66 N -4.43 6.52 0.16 4.36 0.01 -1.26 -4.91 113.70 114.14 2bw2 s SER 66 Ca 0.57 2.85 -0.16 0.00 1.31 0.00 0.00 55.95 60.52 2bw2 s SER 66 Cb -0.09 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.54 2bw2 s SER 66 CO 0.36 -0.77 1.80 1.55 0.41 0.00 0.00 173.24 176.58 2bw2 h PRO 67 N 4.15 0.46 0.00 12.44 0.13 -1.96 -1.55 132.00 145.68 2bw2 h PRO 67 Ca -0.48 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 2bw2 h PRO 67 Cb 1.23 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2bw2 h PRO 67 CO 0.72 0.31 -0.69 1.25 -0.23 0.00 0.00 178.00 179.36 2bw2 h LEU 68 N 0.48 0.00 -1.77 1.56 7.12 -2.00 -2.31 115.31 118.40 2bw2 h LEU 68 Ca 0.16 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 2bw2 h LEU 68 Cb 0.02 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.14 2bw2 h LEU 68 CO -0.08 0.69 -0.12 0.28 -0.13 0.00 0.00 178.44 179.08 2bw2 h SER 69 N 0.00 0.00 0.15 1.25 0.02 -1.78 -1.58 113.55 111.62 2bw2 h SER 69 Ca -0.01 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2bw2 h SER 69 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2bw2 h SER 69 CO 0.09 0.12 -0.54 0.11 -1.14 0.00 0.00 176.83 175.46 2bw2 h LYS 70 N 0.00 0.42 0.00 3.45 1.57 -0.71 0.71 116.57 122.01 2bw2 h LYS 70 Ca -0.00 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 2bw2 h LYS 70 Cb 0.42 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2bw2 h LYS 70 CO 0.02 0.85 -0.55 -0.39 -0.57 0.00 0.00 179.45 178.81 2bw2 h VAL 71 N 0.32 1.13 0.00 0.50 -1.51 -1.29 -3.31 116.25 112.10 2bw2 h VAL 71 Ca 0.01 -2.09 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2bw2 h VAL 71 Cb 1.05 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 2bw2 h VAL 71 CO 0.09 0.54 0.00 -3.20 -1.23 0.00 0.00 177.57 173.77 2bw2 n ASN 72 N -3.50 0.00 -1.23 4.19 5.15 -0.82 -5.00 115.26 114.05 2bw2 n ASN 72 Ca 0.00 0.39 -0.09 0.00 -0.60 0.00 0.00 54.58 54.28 2bw2 n ASN 72 Cb 0.64 -0.37 0.01 0.00 -0.53 0.00 0.00 39.78 39.53 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bw2 n GLY 73 N 2.02 0.11 3.37 8.20 0.00 0.25 -4.52 105.19 114.63 2bw2 n GLY 73 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.65 2.45 -0.02 1.61 1.51 -1.24 -2.44 117.35 116.56 2bw2 s TYR 74 Ca 0.07 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2bw2 s TYR 74 Cb -0.03 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2bw2 s TYR 74 CO 0.09 0.07 -0.14 0.42 -1.11 0.00 0.00 175.55 174.87 2bw2 s ILE 75 N -0.69 1.17 -0.00 2.71 1.01 -1.26 -3.58 121.20 120.55 2bw2 s ILE 75 Ca 0.11 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2bw2 s ILE 75 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2bw2 s ILE 75 CO 0.00 0.34 -0.02 -0.83 0.00 0.00 0.00 174.94 174.43 2bw2 s GLY 76 N -0.15 0.14 0.03 6.18 0.00 0.30 -3.09 107.32 110.73 2bw2 s GLY 76 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.67 2bw2 s GLY 76 CO 0.00 -0.04 0.01 -1.34 0.00 0.00 0.00 173.10 171.73 2bw2 s VAL 77 N 0.02 4.16 0.61 1.40 -7.23 -0.85 -2.18 120.40 116.34 2bw2 s VAL 77 Ca 0.00 -0.72 -0.01 0.00 -1.81 0.00 0.00 61.98 59.44 2bw2 s VAL 77 Cb -0.02 -2.91 0.05 0.00 0.56 0.00 0.00 36.38 34.06 2bw2 s VAL 77 CO -0.00 0.28 0.86 -0.44 -0.31 0.00 0.00 175.10 175.49 2bw2 s SER 78 N -1.85 5.05 0.43 4.85 0.01 -1.03 -4.70 113.70 116.46 2bw2 s SER 78 Ca 0.22 0.08 0.25 0.00 1.31 0.00 0.00 55.95 57.81 2bw2 s SER 78 Cb -0.12 -0.85 1.27 0.00 0.21 0.00 0.00 66.02 66.53 2bw2 s SER 78 CO 0.14 -1.34 1.73 -0.78 0.41 0.00 0.00 173.24 173.40 2bw2 h ASP 79 N -0.17 0.32 -0.20 2.44 3.58 -1.97 0.48 116.42 120.89 2bw2 h ASP 79 Ca -0.42 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2bw2 h ASP 79 Cb 1.30 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2bw2 h ASP 79 CO 0.53 -0.01 0.00 0.59 -2.88 0.00 0.00 179.24 177.47 2bw2 n ASN 80 N -4.58 2.00 -2.30 2.28 3.02 -1.26 -4.56 115.26 109.86 2bw2 n ASN 80 Ca 0.29 -2.18 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 2bw2 n ASN 80 Cb 1.11 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.46 0.08 3.65 7.41 0.00 0.17 -1.62 105.19 115.33 2bw2 n GLY 81 Ca 0.08 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2bw2 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw2 s VAL 82 N -3.19 4.19 -0.01 1.61 1.01 -1.06 -1.23 120.40 121.73 2bw2 s VAL 82 Ca 0.30 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2bw2 s VAL 82 Cb -0.13 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2bw2 s VAL 82 CO 0.42 -0.26 1.64 -0.38 0.00 0.00 0.00 175.10 176.51 2bw2 n ILE 83 N 5.72 1.67 -3.46 2.22 2.08 0.15 -2.47 119.36 125.27 2bw2 n ILE 83 Ca 0.14 -0.36 -0.32 0.00 0.56 0.00 0.00 62.75 62.78 2bw2 n ILE 83 Cb 0.45 -1.31 -0.05 0.00 -0.75 0.00 0.00 39.64 37.99 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 1.56 6.60 0.13 4.38 1.04 -0.92 -4.33 113.70 122.16 2bw2 s SER 84 Ca 0.01 0.86 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 2bw2 s SER 84 Cb 0.01 -2.20 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 2bw2 s SER 84 CO 0.00 -0.05 0.54 0.42 0.98 0.00 0.00 173.24 175.13 2bw2 s THR 85 N -1.79 4.87 0.26 2.02 -4.23 -1.26 -0.54 115.64 114.97 2bw2 s THR 85 Ca 0.46 0.83 0.01 0.00 -1.18 0.00 0.00 61.69 61.82 2bw2 s THR 85 Cb -0.11 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 2bw2 s THR 85 CO 0.22 0.27 0.09 -0.36 -0.54 0.00 0.00 174.62 174.31 2bw2 s PHE 86 N -1.43 1.55 -0.33 3.99 0.40 -1.23 -1.15 117.98 119.77 2bw2 s PHE 86 Ca 0.37 -1.17 -0.09 0.00 -0.60 0.00 0.00 56.93 55.44 2bw2 s PHE 86 Cb -0.15 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.48 2bw2 s PHE 86 CO 0.19 -0.32 0.14 -1.58 0.70 0.00 0.00 175.22 174.34 2bw2 s HIS 87 N -3.74 3.20 0.00 0.36 5.65 -1.26 -4.31 115.29 115.19 2bw2 s HIS 87 Ca 0.38 -0.96 0.00 0.00 0.25 0.00 0.00 55.06 54.73 2bw2 s HIS 87 Cb 0.08 -2.34 0.00 0.00 -1.18 0.00 0.00 32.58 29.14 2bw2 s HIS 87 CO 0.14 -0.60 0.00 0.41 -0.65 0.00 0.00 174.74 174.04 2bw2 n GLY 88 N 4.92 -1.86 3.62 1.59 0.00 -1.26 -4.81 105.19 107.40 2bw2 n GLY 88 Ca -0.13 -1.49 -0.47 0.00 0.00 0.00 0.00 46.02 43.93 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 2.00 -2.37 1.61 5.12 -1.26 -4.84 116.66 116.92 2bw2 n ARG 89 Ca 0.00 0.67 -0.36 0.00 -1.93 0.00 0.00 57.85 56.23 2bw2 n ARG 89 Cb 0.00 -2.79 -0.03 0.00 -1.16 0.00 0.00 32.46 28.48 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 5.06 3.27 0.28 5.56 0.04 -1.26 -4.89 135.00 143.06 2bw2 s PRO 90 Ca 0.97 -1.14 0.03 0.00 0.04 0.00 0.00 61.00 60.91 2bw2 s PRO 90 Cb -0.61 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 28.58 2bw2 s PRO 90 CO 0.46 -2.77 0.44 -1.83 0.04 0.00 0.00 177.00 173.35 2bw2 s GLU 91 N 5.51 3.47 0.11 4.56 -1.05 -1.26 -4.84 118.70 125.20 2bw2 s GLU 91 Ca 0.57 -0.55 0.18 0.00 -0.15 0.00 0.00 54.97 55.02 2bw2 s GLU 91 Cb -0.01 -2.79 0.76 0.00 -0.44 0.00 0.00 34.13 31.65 2bw2 s GLU 91 CO -0.00 0.31 1.56 -0.35 0.95 0.00 0.00 175.26 177.73 2bw2 n PRO 92 N -1.49 0.08 -0.23 -4.83 -0.04 -1.26 -1.00 135.00 126.22 2bw2 n PRO 92 Ca -0.07 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2bw2 n PRO 92 Cb 0.56 -1.66 0.27 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.62 2.43 -2.10 0.55 0.00 -1.26 -4.90 120.51 113.60 2bw2 n ALA 93 Ca 0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 2bw2 n ALA 93 Cb 0.19 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.25 4.94 -0.23 0.00 0.15 -0.17 -5.10 113.70 112.03 2bw2 s SER 94 Ca 0.39 -0.99 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 2bw2 s SER 94 Cb 0.21 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2bw2 s SER 94 CO 0.29 -1.39 0.03 -1.61 1.20 0.00 0.00 173.24 171.76 2bw2 s GLU 95 N -4.65 3.60 0.19 5.44 2.02 -1.26 -4.94 118.70 119.10 2bw2 s GLU 95 Ca 0.58 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 2bw2 s GLU 95 Cb -0.05 -3.22 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 2bw2 s GLU 95 CO 0.37 -0.15 1.10 -1.25 0.02 0.00 0.00 175.26 175.35 2bw2 s PRO 96 N 1.46 4.60 0.18 0.39 0.04 -1.26 -4.51 135.00 135.89 2bw2 s PRO 96 Ca 0.05 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 2bw2 s PRO 96 Cb -0.15 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.19 2bw2 s PRO 96 CO 0.02 0.09 1.45 0.82 0.04 0.00 0.00 177.00 179.42 2bw2 h ILE 97 N 3.64 1.34 -0.94 0.56 2.04 -1.51 -3.48 117.51 119.16 2bw2 h ILE 97 Ca -0.45 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2bw2 h ILE 97 Cb 1.21 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2bw2 h ILE 97 CO 0.72 0.60 0.00 0.00 0.00 0.00 0.00 178.15 179.47 2bw2 n GLN 98 N -3.90 0.00 -3.81 2.37 0.00 -1.26 -4.88 117.38 105.90 2bw2 n GLN 98 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.84 2bw2 n GLN 98 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.80 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 1.80 -0.16 0.00 2.61 0.15 -1.26 -4.54 113.70 112.30 2bw2 s SER 99 Ca 0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2bw2 s SER 99 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2bw2 s SER 99 CO 0.00 -0.23 0.00 0.49 1.20 0.00 0.00 173.24 174.70 2bw2 n PHE 100 N 2.24 0.00 -3.99 3.44 3.72 -1.26 -5.00 117.46 116.60 2bw2 n PHE 100 Ca -0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.10 2bw2 n PHE 100 Cb 0.57 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 2bw2 n PHE 100 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bw2 s PHE 101 N -0.68 0.81 -0.05 1.38 5.36 -1.26 -4.97 117.98 118.57 2bw2 s PHE 101 Ca 0.00 -1.19 0.03 0.00 -0.96 0.00 0.00 56.93 54.81 2bw2 s PHE 101 Cb 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 2bw2 s PHE 101 CO 0.00 -1.33 -0.14 -0.65 -1.46 0.00 0.00 175.22 171.64 2bw2 s GLN 102 N -2.61 1.63 0.07 10.12 -0.21 -1.25 -0.68 119.66 126.73 2bw2 s GLN 102 Ca 0.26 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 55.18 2bw2 s GLN 102 Cb -0.02 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.57 2bw2 s GLN 102 CO 0.19 0.13 -0.08 0.96 -2.12 0.00 0.00 175.29 174.37 2bw2 s ILE 103 N 0.31 0.68 -0.31 1.08 -4.36 -0.36 -4.23 121.20 114.01 2bw2 s ILE 103 Ca -0.08 -1.48 -0.27 0.00 -0.26 0.00 0.00 60.65 58.55 2bw2 s ILE 103 Cb -0.13 -1.13 0.01 0.00 1.25 0.00 0.00 42.46 42.46 2bw2 s ILE 103 CO 0.03 -0.58 0.98 -1.81 0.24 0.00 0.00 174.94 173.80 2bw2 s ASP 104 N -2.25 6.86 0.38 4.36 1.01 0.29 -2.21 116.67 125.11 2bw2 s ASP 104 Ca 0.01 0.94 0.14 0.00 0.71 0.00 0.00 52.55 54.34 2bw2 s ASP 104 Cb -0.03 -2.50 0.76 0.00 1.01 0.00 0.00 42.92 42.16 2bw2 s ASP 104 CO -0.01 -0.79 1.84 -0.07 0.21 0.00 0.00 175.17 176.35 2bw2 h LEU 105 N 9.86 0.00 -1.28 1.23 3.38 -1.87 0.23 115.31 126.85 2bw2 h LEU 105 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2bw2 h LEU 105 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2bw2 h LEU 105 CO 0.98 0.35 0.00 1.05 0.09 0.00 0.00 178.44 180.92 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.92 -1.41 114.58 116.49 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 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2bw2 h GLU 106 CO 0.05 0.00 -1.40 2.89 0.07 0.00 0.00 179.01 180.62 2bw2 n ARG 107 N -2.52 0.51 -0.69 1.06 1.85 0.03 -4.95 116.66 111.95 2bw2 n ARG 107 Ca 0.00 -0.04 -0.31 0.00 -1.00 0.00 0.00 57.85 56.50 2bw2 n ARG 107 Cb 0.18 -1.63 0.16 0.00 -1.05 0.00 0.00 32.46 30.13 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 -2.27 1.72 0.00 2.89 7.99 -0.53 -5.00 117.00 121.80 2bw2 n LEU 108 Ca -0.01 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 2bw2 n LEU 108 Cb 0.52 -1.36 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 2bw2 n LEU 108 CO 0.43 -2.73 0.33 -0.62 -1.51 0.00 0.00 177.39 173.29 2bw2 n GLU 109 N -3.45 0.00 0.00 3.23 -0.58 -1.26 -5.02 120.64 113.55 2bw2 n GLU 109 Ca 0.09 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 2bw2 n GLU 109 Cb 0.53 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2bw2 n SER 110 N -1.53 0.00 0.24 1.62 2.88 -1.26 -4.99 113.62 110.59 2bw2 n SER 110 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2bw2 n SER 110 Cb 0.00 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.03 2bw2 n SER 110 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2bw2 h HIS 111 N 0.00 0.00 -0.20 0.66 2.07 -1.99 -3.09 115.15 112.60 2bw2 h HIS 111 Ca 0.00 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.57 2bw2 h HIS 111 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 2bw2 h HIS 111 CO 0.00 0.18 -0.39 0.52 -3.07 0.00 0.00 177.93 175.17 2bw2 h MET 112 N 0.00 -0.41 -0.15 5.12 2.07 -1.98 0.18 114.93 119.77 2bw2 h MET 112 Ca -0.00 0.03 -0.11 0.00 -2.07 0.00 0.00 59.70 57.54 2bw2 h MET 112 Cb 0.60 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 2bw2 h MET 112 CO 0.02 -0.27 -0.41 -0.56 1.07 0.00 0.00 176.91 176.77 2bw2 h GLN 113 N -0.42 0.33 -0.08 1.72 3.07 -1.89 -2.55 115.11 115.29 2bw2 h GLN 113 Ca 0.10 -0.16 -0.09 0.00 0.09 0.00 0.00 58.65 58.59 2bw2 h GLN 113 Cb 0.60 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2bw2 h GLN 113 CO -0.43 0.69 -0.38 0.87 0.09 0.00 0.00 178.83 179.66 2bw2 h LYS 114 N 0.27 0.16 0.00 0.06 1.57 -1.37 0.10 116.57 117.36 2bw2 h LYS 114 Ca 0.02 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2bw2 h LYS 114 Cb 0.84 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2bw2 h LYS 114 CO 0.07 0.52 -0.66 -0.91 -0.57 0.00 0.00 179.45 177.89 2bw2 h ASN 115 N 0.14 0.00 0.53 0.86 2.35 -0.36 -2.64 115.58 116.45 2bw2 h ASN 115 Ca 0.01 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 2bw2 h ASN 115 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2bw2 h ASN 115 CO 0.06 0.66 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.74 2bw2 h LEU 116 N 0.00 0.17 0.21 1.61 3.38 -0.91 0.41 115.31 120.19 2bw2 h LEU 116 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2bw2 h LEU 116 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2bw2 h LEU 116 CO 0.09 0.81 -0.10 -0.07 0.09 0.00 0.00 178.44 179.25 2bw2 h LEU 117 N 0.10 -0.24 0.00 1.67 3.38 -0.50 -2.25 115.31 117.46 2bw2 h LEU 117 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bw2 h LEU 117 Cb 1.23 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2bw2 h LEU 117 CO 0.10 -0.16 -0.58 2.29 0.09 0.00 0.00 178.44 180.19 2bw2 n LYS 118 N -5.21 0.19 -0.01 1.13 -0.00 -1.02 -4.33 118.16 108.91 2bw2 n LYS 118 Ca -0.09 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2bw2 n LYS 118 Cb 0.14 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 2bw2 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 119 N 1.40 0.67 3.71 2.58 0.00 0.13 -4.23 105.19 109.45 2bw2 n GLY 119 Ca 0.04 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 2bw2 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bw2 n ILE 120 N 2.32 0.41 1.02 -0.61 2.08 -1.18 -4.83 119.36 118.57 2bw2 n ILE 120 Ca 0.00 -0.10 0.10 0.00 0.56 0.00 0.00 62.75 63.31 2bw2 n ILE 120 Cb 0.00 -1.84 0.54 0.00 -0.75 0.00 0.00 39.64 37.59 2bw2 n ILE 120 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2bw2 n PRO 121 N 3.11 0.33 -3.64 0.38 -0.04 -1.26 -3.68 135.00 130.20 2bw2 n PRO 121 Ca 0.13 0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2bw2 n PRO 121 Cb 0.34 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.53 -0.19 -0.20 0.54 5.36 -1.02 -4.87 117.98 115.07 2bw2 s PHE 122 Ca 0.21 0.45 -0.15 0.00 -0.96 0.00 0.00 56.93 56.48 2bw2 s PHE 122 Cb 0.14 0.45 0.06 0.00 -0.34 0.00 0.00 43.02 43.33 2bw2 s PHE 122 CO 0.31 -0.10 0.52 0.50 -1.46 0.00 0.00 175.22 174.99 2bw2 s ARG 123 N -0.06 0.56 0.45 10.12 3.52 -1.16 -4.85 118.95 127.53 2bw2 s ARG 123 Ca 0.06 0.83 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 2bw2 s ARG 123 Cb -0.04 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 2bw2 s ARG 123 CO -0.11 -0.11 0.19 0.99 -0.81 0.00 0.00 175.30 175.45 2bw2 s THR 124 N 0.83 1.99 0.26 4.11 2.01 -1.26 -4.63 115.64 118.94 2bw2 s THR 124 Ca -0.04 -1.71 -0.05 0.00 0.31 0.00 0.00 61.69 60.20 2bw2 s THR 124 Cb -0.05 -2.70 0.21 0.00 0.01 0.00 0.00 72.50 69.98 2bw2 s THR 124 CO -0.07 0.00 1.88 0.07 -0.69 0.00 0.00 174.62 175.81 2bw2 h LYS 125 N 1.29 1.15 0.00 4.92 2.10 -1.96 -0.91 116.57 123.16 2bw2 h LYS 125 Ca -0.42 -0.13 -0.17 0.00 -2.00 0.00 0.00 60.65 57.93 2bw2 h LYS 125 Cb 1.27 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 2bw2 h LYS 125 CO 0.68 0.84 -0.79 0.00 -2.00 0.00 0.00 179.45 178.19 2bw2 h ALA 126 N 1.34 0.55 -0.01 0.07 0.00 -1.97 -2.53 119.26 116.72 2bw2 h ALA 126 Ca 0.29 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2bw2 h ALA 126 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bw2 h ALA 126 CO -0.05 0.99 -0.67 0.93 0.00 0.00 0.00 179.25 180.45 2bw2 h GLU 127 N 0.00 0.03 0.25 0.00 5.08 -1.86 -0.93 114.58 117.15 2bw2 h GLU 127 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2bw2 h GLU 127 Cb 1.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2bw2 h GLU 127 CO 0.10 0.69 -0.12 0.35 -1.00 0.00 0.00 179.01 179.04 2bw2 h PHE 128 N 0.02 -0.31 0.00 4.33 3.04 -0.85 -0.66 116.94 122.51 2bw2 h PHE 128 Ca -0.01 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2bw2 h PHE 128 Cb 1.20 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 2bw2 h PHE 128 CO 0.00 -0.03 -0.18 1.05 -2.02 0.00 0.00 178.31 177.13 2bw2 h GLU 129 N -0.57 0.00 -0.12 1.11 4.11 -1.36 0.52 114.58 118.27 2bw2 h GLU 129 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2bw2 h GLU 129 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2bw2 h GLU 129 CO 0.06 0.18 -0.04 0.22 0.07 0.00 0.00 179.01 179.50 2bw2 h ASP 130 N 0.00 0.24 -0.33 3.06 1.82 -0.95 0.15 116.42 120.41 2bw2 h ASP 130 Ca -0.00 -0.39 -0.16 0.00 -0.39 0.00 0.00 57.03 56.08 2bw2 h ASP 130 Cb 0.51 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2bw2 h ASP 130 CO 0.02 0.58 -0.42 1.62 -1.61 0.00 0.00 179.24 179.43 2bw2 h VAL 131 N -0.10 1.27 -0.67 2.25 3.04 -0.80 -2.47 116.25 118.77 2bw2 h VAL 131 Ca 0.03 -1.60 -0.08 0.00 -1.01 0.00 0.00 66.70 64.04 2bw2 h VAL 131 Cb 0.48 1.45 -0.03 0.00 -2.01 0.00 0.00 31.29 31.18 2bw2 h VAL 131 CO 0.01 0.53 0.12 0.40 -1.01 0.00 0.00 177.57 177.63 2bw2 h ILE 132 N 0.72 1.26 0.00 3.17 5.03 -0.83 0.17 117.51 127.04 2bw2 h ILE 132 Ca 0.05 -1.02 -0.05 0.00 -0.12 0.00 0.00 64.86 63.72 2bw2 h ILE 132 Cb 1.01 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 35.42 2bw2 h ILE 132 CO 0.10 0.38 -0.25 1.05 -0.68 0.00 0.00 178.15 178.76 2bw2 h GLU 133 N 1.03 0.00 0.09 2.37 4.11 -0.70 -1.77 114.58 119.71 2bw2 h GLU 133 Ca 0.21 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.37 2bw2 h GLU 133 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2bw2 h GLU 133 CO 0.01 0.25 -1.25 1.25 0.07 0.00 0.00 179.01 179.33 2bw2 h HIS 134 N 0.00 0.34 -0.75 2.06 2.76 -0.88 -3.17 115.15 115.51 2bw2 h HIS 134 Ca -0.00 -0.25 -0.05 0.00 -2.20 0.00 0.00 60.37 57.87 2bw2 h HIS 134 Cb 0.64 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 2bw2 h HIS 134 CO 0.00 1.22 0.27 0.52 -1.30 0.00 0.00 177.93 178.64 2bw2 h MET 135 N 0.05 1.14 0.00 5.26 2.86 -0.11 -2.20 114.93 121.93 2bw2 h MET 135 Ca -0.13 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2bw2 h MET 135 Cb 1.93 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.42 2bw2 h MET 135 CO 0.17 0.95 0.00 1.57 1.06 0.00 0.00 176.91 180.66 2bw2 h LYS 136 N 1.10 0.00 0.00 1.72 2.10 -1.38 -1.27 116.57 118.83 2bw2 h LYS 136 Ca 0.25 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.85 2bw2 h LYS 136 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2bw2 h LYS 136 CO -0.01 0.00 -0.21 1.79 -2.00 0.00 0.00 179.45 179.02 2bw2 h THR 137 N 0.00 0.91 0.00 0.07 1.35 -1.36 -3.25 112.91 110.62 2bw2 h THR 137 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2bw2 h THR 137 Cb 0.40 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2bw2 h THR 137 CO 0.00 0.20 -0.10 1.88 -0.25 0.00 0.00 175.52 177.25 2bw2 h TYR 138 N 0.00 0.00 -1.07 4.73 -1.99 -1.34 -3.47 116.97 113.83 2bw2 h TYR 138 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 2bw2 h TYR 138 Cb 0.43 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.10 2bw2 h TYR 138 CO 0.00 0.00 -0.14 0.45 -0.00 0.00 0.00 178.16 178.47 2bw2 n SER 139 N -3.44 -2.79 0.00 3.88 2.88 -0.80 -4.95 113.62 108.39 2bw2 n SER 139 Ca -0.01 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2bw2 n SER 139 Cb 0.05 -2.46 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42