#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 0.91 0.28 0.00 2.56 -1.26 -5.11 118.70 116.07 2bw2 s GLU 2 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.74 2bw2 s GLU 2 Cb 0.00 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.54 2bw2 s GLU 2 CO 0.00 -0.30 0.00 0.28 -0.56 0.00 0.00 175.26 174.68 2bw2 n VAL 3 N 0.69 0.00 -2.91 3.70 0.31 -1.26 -4.64 118.33 114.23 2bw2 n VAL 3 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 2bw2 n VAL 3 Cb 0.59 -0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 33.24 2bw2 n VAL 3 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 4 N -1.51 3.21 0.42 5.55 -1.05 -1.26 -5.02 118.70 119.04 2bw2 s GLU 4 Ca 0.00 -0.59 -0.03 0.00 -0.15 0.00 0.00 54.97 54.19 2bw2 s GLU 4 Cb 0.00 -4.13 0.09 0.00 -0.44 0.00 0.00 34.13 29.65 2bw2 s GLU 4 CO 0.00 -1.56 0.57 0.72 0.95 0.00 0.00 175.26 175.95 2bw2 n HIS 5 N 7.30 -3.47 1.05 4.83 8.25 -1.26 -4.98 115.22 126.93 2bw2 n HIS 5 Ca -0.02 -0.78 0.12 0.00 -0.26 0.00 0.00 57.72 56.77 2bw2 n HIS 5 Cb 0.46 -0.43 0.18 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.43 0.00 -2.41 4.41 4.02 -1.26 -4.92 117.16 114.57 2bw2 n TYR 6 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 2bw2 n TYR 6 Cb 0.30 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 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 -2.87 3.74 0.97 -0.72 0.41 -1.26 -4.99 118.70 113.98 2bw2 s GLU 7 Ca 0.13 1.22 -0.16 0.00 -0.41 0.00 0.00 54.97 55.75 2bw2 s GLU 7 Cb 0.18 -2.09 0.21 0.00 -1.78 0.00 0.00 34.13 30.64 2bw2 s GLU 7 CO 0.69 -0.47 1.32 -1.25 -0.49 0.00 0.00 175.26 175.07 2bw2 s PRO 8 N -3.61 0.54 -0.20 0.39 0.04 -1.26 -4.82 135.00 126.08 2bw2 s PRO 8 Ca 0.64 -0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.28 2bw2 s PRO 8 Cb -0.14 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2bw2 s PRO 8 CO 0.26 -2.48 -0.15 -1.17 0.04 0.00 0.00 177.00 173.50 2bw2 s LEU 9 N -5.94 2.48 -0.35 -3.56 1.98 0.15 -4.83 118.68 108.61 2bw2 s LEU 9 Ca 0.74 -0.89 -0.29 0.00 -2.89 0.00 0.00 54.13 50.81 2bw2 s LEU 9 Cb -0.04 -1.43 0.00 0.00 0.66 0.00 0.00 46.19 45.39 2bw2 s LEU 9 CO 0.53 -0.08 1.43 -1.10 -1.89 0.00 0.00 176.35 175.23 2bw2 s GLN 10 N 1.28 3.69 -0.18 1.98 -0.21 -1.26 -0.59 119.66 124.37 2bw2 s GLN 10 Ca -0.00 1.14 -0.01 0.00 0.02 0.00 0.00 55.36 56.51 2bw2 s GLN 10 Cb -0.16 -3.99 -0.00 0.00 1.00 0.00 0.00 33.01 29.86 2bw2 s GLN 10 CO -0.10 -1.42 -0.13 0.08 -2.12 0.00 0.00 175.29 171.60 2bw2 s VAL 11 N 5.18 2.77 -0.60 1.09 1.01 0.79 -4.26 120.40 126.38 2bw2 s VAL 11 Ca 0.62 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 2bw2 s VAL 11 Cb -0.16 -2.20 0.14 0.00 0.00 0.00 0.00 36.38 34.15 2bw2 s VAL 11 CO 0.29 0.49 0.59 -2.28 0.00 0.00 0.00 175.10 174.20 2bw2 s HIS 12 N 1.07 3.26 -0.27 5.22 2.46 0.74 -0.89 115.29 126.87 2bw2 s HIS 12 Ca -0.00 -1.31 -0.11 0.00 0.47 0.00 0.00 55.06 54.11 2bw2 s HIS 12 Cb -0.15 -3.86 -0.05 0.00 -0.13 0.00 0.00 32.58 28.39 2bw2 s HIS 12 CO -0.03 -1.09 0.19 0.54 -2.47 0.00 0.00 174.74 171.88 2bw2 s VAL 13 N 1.68 5.32 -0.21 0.89 0.11 0.98 -0.58 120.40 128.59 2bw2 s VAL 13 Ca 0.07 0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.20 2bw2 s VAL 13 Cb -0.26 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 2bw2 s VAL 13 CO 0.02 0.27 0.21 -1.58 -3.33 0.00 0.00 175.10 170.69 2bw2 s GLN 14 N 1.59 4.15 -0.16 1.54 -0.44 0.55 -0.94 119.66 125.96 2bw2 s GLN 14 Ca 0.08 -0.12 -0.00 0.00 -2.50 0.00 0.00 55.36 52.82 2bw2 s GLN 14 Cb -0.15 -3.49 -0.00 0.00 -1.64 0.00 0.00 33.01 27.73 2bw2 s GLN 14 CO 0.09 0.14 -0.14 -0.51 0.50 0.00 0.00 175.29 175.37 2bw2 s LEU 15 N 0.81 2.51 -0.26 3.68 2.01 -0.19 -0.43 118.68 126.81 2bw2 s LEU 15 Ca 0.11 -0.46 -0.10 0.00 0.01 0.00 0.00 54.13 53.69 2bw2 s LEU 15 Cb -0.13 -1.58 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 2bw2 s LEU 15 CO 0.03 0.08 0.15 -1.61 1.01 0.00 0.00 176.35 176.01 2bw2 s GLU 16 N 0.86 3.91 -0.55 1.70 2.02 0.10 -0.32 118.70 126.42 2bw2 s GLU 16 Ca -0.04 -0.35 -0.20 0.00 0.02 0.00 0.00 54.97 54.41 2bw2 s GLU 16 Cb -0.15 -3.55 0.07 0.00 0.10 0.00 0.00 34.13 30.61 2bw2 s GLU 16 CO -0.01 -0.12 0.70 0.15 0.02 0.00 0.00 175.26 176.00 2bw2 s LYS 17 N 1.54 3.10 -0.64 1.61 3.01 0.39 -0.26 119.74 128.49 2bw2 s LYS 17 Ca 0.07 -1.01 -0.24 0.00 -1.01 0.00 0.00 55.97 53.78 2bw2 s LYS 17 Cb -0.15 -4.17 0.05 0.00 -1.01 0.00 0.00 37.83 32.55 2bw2 s LYS 17 CO 0.08 -1.40 1.02 0.08 0.51 0.00 0.00 175.35 175.64 2bw2 s VAL 18 N 2.83 4.23 0.52 3.17 1.01 -1.24 -2.48 120.40 128.44 2bw2 s VAL 18 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2bw2 s VAL 18 Cb -0.21 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 2bw2 s VAL 18 CO 0.10 -1.43 0.88 -0.31 0.00 0.00 0.00 175.10 174.34 2bw2 s TYR 19 N 4.34 3.57 0.27 5.22 1.51 -1.25 -4.62 117.35 126.40 2bw2 s TYR 19 Ca 0.27 1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 57.35 2bw2 s TYR 19 Cb -0.14 -2.49 0.36 0.00 -0.11 0.00 0.00 41.96 39.58 2bw2 s TYR 19 CO 0.14 -0.40 1.84 -0.07 -1.11 0.00 0.00 175.55 175.94 2bw2 h LEU 20 N 0.21 0.86 -1.03 -1.29 4.07 -1.85 -3.03 115.31 113.25 2bw2 h LEU 20 Ca -0.46 -0.13 0.07 0.00 0.08 0.00 0.00 57.88 57.45 2bw2 h LEU 20 Cb 1.20 -0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.64 2bw2 h LEU 20 CO 0.62 0.79 0.64 -0.78 -1.08 0.00 0.00 178.44 178.63 2bw2 h ASP 21 N 0.92 1.00 0.00 -0.43 3.58 -1.94 -3.47 116.42 116.09 2bw2 h ASP 21 Ca 0.21 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2bw2 h ASP 21 Cb 0.22 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2bw2 h ASP 21 CO -0.01 0.62 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 2bw2 n GLY 22 N -1.37 1.06 3.71 -0.78 0.00 -1.15 -4.59 105.19 102.08 2bw2 n GLY 22 Ca 0.16 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.65 7.27 0.22 1.61 2.15 -1.26 -4.64 116.67 121.36 2bw2 s ASP 23 Ca 0.00 1.54 0.10 0.00 0.43 0.00 0.00 52.55 54.62 2bw2 s ASP 23 Cb 0.00 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2bw2 s ASP 23 CO 0.00 -0.21 -0.10 0.68 -0.17 0.00 0.00 175.17 175.37 2bw2 s VAL 24 N 0.89 3.08 -0.20 1.11 -7.23 -1.26 -3.87 120.40 112.91 2bw2 s VAL 24 Ca 0.48 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2bw2 s VAL 24 Cb -0.20 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2bw2 s VAL 24 CO 0.25 -0.22 0.14 -0.44 -0.31 0.00 0.00 175.10 174.52 2bw2 s SER 25 N -3.13 6.21 -0.21 4.85 0.01 -1.04 -4.90 113.70 115.49 2bw2 s SER 25 Ca 0.27 0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.67 2bw2 s SER 25 Cb -0.08 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2bw2 s SER 25 CO 0.16 0.17 0.10 -0.63 0.41 0.00 0.00 173.24 173.45 2bw2 s ILE 26 N 0.44 5.01 -0.00 1.44 -1.09 -1.26 -0.46 121.20 125.27 2bw2 s ILE 26 Ca 0.08 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.59 2bw2 s ILE 26 Cb -0.11 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2bw2 s ILE 26 CO -0.01 0.41 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.31 2bw2 s GLU 27 N 0.72 2.49 -0.26 2.79 2.56 0.56 -4.92 118.70 122.64 2bw2 s GLU 27 Ca 0.05 -0.74 0.02 0.00 0.00 0.00 0.00 54.97 54.31 2bw2 s GLU 27 Cb -0.13 -2.45 0.07 0.00 2.00 0.00 0.00 34.13 33.62 2bw2 s GLU 27 CO 0.02 0.60 -0.07 -1.01 -0.56 0.00 0.00 175.26 174.23 2bw2 s HIS 28 N -0.93 3.08 -0.05 5.30 3.76 -1.26 -1.02 115.29 124.16 2bw2 s HIS 28 Ca 0.15 -2.25 0.06 0.00 -0.15 0.00 0.00 55.06 52.88 2bw2 s HIS 28 Cb -0.11 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 2bw2 s HIS 28 CO 0.06 -0.86 -0.25 0.15 -0.85 0.00 0.00 174.74 172.99 2bw2 s LYS 29 N 1.16 2.51 -0.19 1.40 -0.14 -0.12 -4.98 119.74 119.38 2bw2 s LYS 29 Ca -0.06 -0.90 0.01 0.00 -1.36 0.00 0.00 55.97 53.67 2bw2 s LYS 29 Cb -0.20 -2.16 0.03 0.00 -1.68 0.00 0.00 37.83 33.82 2bw2 s LYS 29 CO -0.06 0.41 -0.16 -3.38 -0.76 0.00 0.00 175.35 171.40 2bw2 s HIS 30 N -0.23 2.69 0.00 3.18 -3.43 -1.26 -0.01 115.29 116.23 2bw2 s HIS 30 Ca -0.01 -1.68 0.01 0.00 -0.80 0.00 0.00 55.06 52.57 2bw2 s HIS 30 Cb -0.13 -1.81 -0.00 0.00 -1.43 0.00 0.00 32.58 29.20 2bw2 s HIS 30 CO 0.03 -0.79 -0.02 -1.83 -2.00 0.00 0.00 174.74 170.13 2bw2 s GLU 31 N 1.31 0.18 -0.49 -0.38 -1.05 -0.07 -4.95 118.70 113.25 2bw2 s GLU 31 Ca 0.02 -0.12 -0.16 0.00 -0.15 0.00 0.00 54.97 54.55 2bw2 s GLU 31 Cb -0.15 -0.14 0.07 0.00 -0.44 0.00 0.00 34.13 33.47 2bw2 s GLU 31 CO -0.10 0.04 0.46 0.15 0.95 0.00 0.00 175.26 176.75 2bw2 s LYS 32 N -0.17 3.02 -0.16 -4.83 1.02 -1.24 -0.15 119.74 117.22 2bw2 s LYS 32 Ca -0.00 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.66 2bw2 s LYS 32 Cb -0.02 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 2bw2 s LYS 32 CO -0.00 -1.10 0.06 0.54 -0.92 0.00 0.00 175.35 173.94 2bw2 s VAL 33 N 1.90 4.82 -0.08 3.17 0.11 0.24 -4.62 120.40 125.95 2bw2 s VAL 33 Ca 0.07 -0.03 0.30 0.00 -2.93 0.00 0.00 61.98 59.39 2bw2 s VAL 33 Cb -0.23 -3.15 0.37 0.00 -1.53 0.00 0.00 36.38 31.84 2bw2 s VAL 33 CO 0.08 0.49 1.86 -0.26 -3.33 0.00 0.00 175.10 173.94 2bw2 h PHE 34 N 6.33 0.00 -2.81 1.54 -1.00 -1.87 0.43 116.94 119.55 2bw2 h PHE 34 Ca -0.40 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.16 2bw2 h PHE 34 Cb 1.18 0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.41 2bw2 h PHE 34 CO 0.59 0.00 -0.53 0.45 -1.61 0.00 0.00 178.31 177.21 2bw2 s SER 35 N -5.87 0.41 0.55 2.17 0.15 -1.26 -4.72 113.70 105.13 2bw2 s SER 35 Ca 0.03 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.50 2bw2 s SER 35 Cb 0.08 0.70 1.45 0.00 -1.71 0.00 0.00 66.02 66.54 2bw2 s SER 35 CO 0.59 -0.25 1.95 0.24 1.20 0.00 0.00 173.24 176.97 2bw2 h MET 36 N 8.29 0.00 -0.78 5.44 2.86 -1.98 0.16 114.93 128.91 2bw2 h MET 36 Ca -0.14 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 36 Cb 1.12 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.72 2bw2 h MET 36 CO 0.15 0.00 0.46 0.22 1.06 0.00 0.00 176.91 178.80 2bw2 h ASP 37 N 0.00 0.70 0.12 1.22 1.82 -1.97 0.72 116.42 119.03 2bw2 h ASP 37 Ca 0.29 0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.79 2bw2 h ASP 37 Cb 1.23 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 2bw2 h ASP 37 CO -0.00 0.44 -0.62 -0.78 -1.61 0.00 0.00 179.24 176.67 2bw2 h ASP 38 N 0.83 0.56 -0.46 2.28 3.58 -1.38 -2.23 116.42 119.59 2bw2 h ASP 38 Ca 0.35 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2bw2 h ASP 38 Cb 0.22 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2bw2 h ASP 38 CO -0.19 1.05 0.13 0.15 -2.88 0.00 0.00 179.24 177.49 2bw2 h PHE 39 N 0.36 0.76 -0.67 0.28 3.04 -1.13 0.06 116.94 119.66 2bw2 h PHE 39 Ca -0.01 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 2bw2 h PHE 39 Cb 1.18 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 2bw2 h PHE 39 CO 0.05 0.69 0.15 -1.49 -2.02 0.00 0.00 178.31 175.68 2bw2 h TRP 40 N 0.62 1.12 -0.08 0.41 -0.00 -0.73 -0.54 115.95 116.75 2bw2 h TRP 40 Ca 0.15 -0.13 -0.13 0.00 -0.00 0.00 0.00 58.89 58.77 2bw2 h TRP 40 Cb 0.30 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.13 2bw2 h TRP 40 CO 0.02 0.92 -0.53 0.00 -0.00 0.00 0.00 178.44 178.85 2bw2 h ALA 41 N 1.14 0.95 -0.37 1.49 0.00 -1.19 0.23 119.26 121.51 2bw2 h ALA 41 Ca 0.21 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2bw2 h ALA 41 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bw2 h ALA 41 CO 0.00 0.68 -0.38 0.00 0.00 0.00 0.00 179.25 179.55 2bw2 h ALA 42 N 1.27 0.61 -0.39 0.00 0.00 -0.38 -3.22 119.26 117.15 2bw2 h ALA 42 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bw2 h ALA 42 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bw2 h ALA 42 CO 0.08 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.67 2bw2 n TYR 43 N -4.05 0.94 0.31 0.00 4.02 -0.26 -4.56 117.16 113.54 2bw2 n TYR 43 Ca -0.02 -0.68 0.19 0.00 -0.01 0.00 0.00 57.90 57.38 2bw2 n TYR 43 Cb 0.54 -0.21 1.04 0.00 -0.02 0.00 0.00 39.34 40.70 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 2.46 1.31 0.00 -0.72 0.00 -0.55 0.05 119.26 121.81 2bw2 h ALA 44 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2bw2 h ALA 44 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2bw2 h ALA 44 CO 0.16 -0.06 -0.47 0.78 0.00 0.00 0.00 179.25 179.66 2bw2 h GLY 45 N 0.00 0.00 -1.37 0.00 0.00 -1.84 -3.45 103.07 96.42 2bw2 h GLY 45 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.83 2bw2 h GLY 45 CO -0.00 0.00 0.39 -0.98 0.00 0.00 0.00 176.54 175.95 2bw2 s TRP 46 N -3.14 3.35 -0.26 5.60 0.52 0.00 -4.98 118.94 120.03 2bw2 s TRP 46 Ca 0.03 1.37 -0.19 0.00 0.02 0.00 0.00 56.10 57.33 2bw2 s TRP 46 Cb 0.09 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.57 2bw2 s TRP 46 CO 0.73 -0.97 0.55 0.99 0.02 0.00 0.00 176.95 178.26 2bw2 s THR 47 N -3.08 5.04 -0.41 2.01 2.01 0.44 -4.86 115.64 116.79 2bw2 s THR 47 Ca 0.57 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 2bw2 s THR 47 Cb -0.13 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2bw2 s THR 47 CO 0.54 0.05 1.22 -0.22 -0.69 0.00 0.00 174.62 175.52 2bw2 s LEU 48 N 2.37 3.70 -0.18 4.42 1.98 -1.26 -0.75 118.68 128.96 2bw2 s LEU 48 Ca 0.22 0.75 -0.19 0.00 -2.89 0.00 0.00 54.13 52.03 2bw2 s LEU 48 Cb -0.16 -3.55 -0.22 0.00 0.66 0.00 0.00 46.19 42.93 2bw2 s LEU 48 CO 0.09 -1.22 0.30 0.58 -1.89 0.00 0.00 176.35 174.21 2bw2 h VAL 49 N 6.18 0.91 -2.60 1.68 2.07 -1.17 -3.49 116.25 119.83 2bw2 h VAL 49 Ca -0.24 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 64.99 2bw2 h VAL 49 Cb 1.08 2.37 -0.16 0.00 -1.52 0.00 0.00 31.29 33.06 2bw2 h VAL 49 CO 1.09 0.47 0.12 -1.83 0.02 0.00 0.00 177.57 177.44 2bw2 s GLU 50 N -2.41 1.09 -0.06 1.57 -1.05 -1.06 -5.03 118.70 111.76 2bw2 s GLU 50 Ca -0.26 -0.14 -0.04 0.00 -0.15 0.00 0.00 54.97 54.37 2bw2 s GLU 50 Cb 0.05 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.27 2bw2 s GLU 50 CO 0.65 -0.40 0.15 1.14 0.95 0.00 0.00 175.26 177.75 2bw2 s GLN 51 N -2.35 0.15 0.22 -4.83 -2.07 -1.26 -0.05 119.66 109.46 2bw2 s GLN 51 Ca -0.06 0.28 0.01 0.00 -1.82 0.00 0.00 55.36 53.77 2bw2 s GLN 51 Cb -0.01 -0.01 -0.05 0.00 -1.09 0.00 0.00 33.01 31.86 2bw2 s GLN 51 CO -0.01 -0.07 0.06 -1.59 -1.32 0.00 0.00 175.29 172.36 2bw2 s LYS 52 N 0.48 1.26 -0.46 9.60 -2.85 0.25 -5.01 119.74 123.02 2bw2 s LYS 52 Ca -0.03 -1.65 -0.28 0.00 -1.00 0.00 0.00 55.97 53.01 2bw2 s LYS 52 Cb -0.05 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.51 2bw2 s LYS 52 CO -0.02 -0.24 1.75 0.21 0.10 0.00 0.00 175.35 177.15 2bw2 s LYS 53 N -4.00 3.11 0.00 1.78 2.36 -1.26 -2.23 119.74 119.50 2bw2 s LYS 53 Ca 0.32 1.01 0.00 0.00 -2.55 0.00 0.00 55.97 54.75 2bw2 s LYS 53 Cb 0.07 -4.24 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 2bw2 s LYS 53 CO 0.09 -2.14 0.00 0.41 1.55 0.00 0.00 175.35 175.26 2bw2 n GLY 54 N 5.47 1.84 2.87 5.54 0.00 -1.26 -5.05 105.19 114.59 2bw2 n GLY 54 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -1.86 -0.05 -0.01 1.61 6.14 -0.95 -0.19 117.35 122.05 2bw2 s TYR 55 Ca 0.00 0.21 0.04 0.00 0.64 0.00 0.00 57.07 57.96 2bw2 s TYR 55 Cb 0.00 -0.10 -0.01 0.00 0.42 0.00 0.00 41.96 42.27 2bw2 s TYR 55 CO 0.00 -0.08 -0.14 0.08 0.64 0.00 0.00 175.55 176.05 2bw2 s VAL 56 N 0.67 1.11 -0.22 3.14 1.01 0.26 -0.58 120.40 125.78 2bw2 s VAL 56 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2bw2 s VAL 56 Cb -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.41 2bw2 s VAL 56 CO -0.02 0.32 -0.13 -0.22 0.00 0.00 0.00 175.10 175.05 2bw2 s LEU 57 N -0.27 2.81 0.25 3.92 2.96 0.93 -0.33 118.68 128.95 2bw2 s LEU 57 Ca 0.04 -0.87 0.11 0.00 -0.22 0.00 0.00 54.13 53.19 2bw2 s LEU 57 Cb -0.06 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 2bw2 s LEU 57 CO -0.00 -0.08 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.39 2bw2 s PHE 58 N 1.27 2.17 0.03 5.38 0.08 0.43 -0.54 117.98 126.81 2bw2 s PHE 58 Ca 0.00 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2bw2 s PHE 58 Cb -0.16 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 2bw2 s PHE 58 CO -0.08 0.60 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.57 2bw2 s ARG 59 N -3.35 0.63 -0.19 0.44 1.70 0.07 -0.72 118.95 117.52 2bw2 s ARG 59 Ca 0.26 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.80 2bw2 s ARG 59 Cb -0.05 -0.53 0.09 0.00 -0.57 0.00 0.00 34.95 33.90 2bw2 s ARG 59 CO 0.12 0.12 0.40 0.21 -1.08 0.00 0.00 175.30 175.08 2bw2 s LYS 60 N -1.18 0.31 -0.40 3.89 2.47 0.64 -0.42 119.74 125.05 2bw2 s LYS 60 Ca -0.04 0.99 -0.10 0.00 -1.56 0.00 0.00 55.97 55.26 2bw2 s LYS 60 Cb -0.08 0.27 0.05 0.00 -1.46 0.00 0.00 37.83 36.61 2bw2 s LYS 60 CO 0.01 -0.27 0.24 1.14 0.16 0.00 0.00 175.35 176.62 2bw2 s GLN 61 N 2.60 2.73 -0.45 4.03 0.00 -1.26 -3.58 119.66 123.72 2bw2 s GLN 61 Ca -0.01 -1.26 0.06 0.00 -0.00 0.00 0.00 55.36 54.15 2bw2 s GLN 61 Cb -0.12 -3.77 0.18 0.00 0.00 0.00 0.00 33.01 29.30 2bw2 s GLN 61 CO -0.13 -0.82 0.56 0.00 0.00 0.00 0.00 175.29 174.90 2bw2 s MET 62 N 1.50 0.93 0.00 9.60 0.23 -1.26 -4.93 119.30 125.37 2bw2 s MET 62 Ca 0.02 -1.23 0.00 0.00 -1.03 0.00 0.00 55.69 53.46 2bw2 s MET 62 Cb -0.21 -0.51 0.00 0.00 -1.53 0.00 0.00 34.83 32.58 2bw2 s MET 62 CO 0.05 -1.31 0.00 -3.47 -2.03 0.00 0.00 175.02 168.26 2bw2 n ASP 63 N 3.29 0.00 0.00 -1.18 -0.08 -1.26 -5.11 116.55 112.21 2bw2 n ASP 63 Ca 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2bw2 n ASP 63 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2bw2 n ASP 64 N 0.03 0.00 -4.78 1.67 5.68 -1.26 -4.89 116.55 113.00 2bw2 n ASP 64 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 2bw2 n ASP 64 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2bw2 s ILE 65 N 1.10 3.85 0.54 2.12 -4.36 -1.26 -2.88 121.20 120.31 2bw2 s ILE 65 Ca 0.00 -1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 58.63 2bw2 s ILE 65 Cb 0.00 -3.18 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 2bw2 s ILE 65 CO 0.00 -0.29 1.34 -1.20 0.24 0.00 0.00 174.94 175.03 2bw2 n SER 66 N -1.16 2.63 -0.21 4.36 7.64 -1.26 -4.85 113.62 120.76 2bw2 n SER 66 Ca -0.06 0.98 -0.03 0.00 1.01 0.00 0.00 58.87 60.78 2bw2 n SER 66 Cb 0.59 -1.57 0.08 0.00 -1.01 0.00 0.00 64.21 62.30 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 1.46 0.64 0.06 1.43 0.13 -1.98 -1.83 132.00 131.91 2bw2 h PRO 67 Ca -0.51 -0.04 -0.27 0.00 -0.87 0.00 0.00 66.00 64.31 2bw2 h PRO 67 Cb 1.31 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2bw2 h PRO 67 CO 0.57 0.42 -1.38 1.25 -0.23 0.00 0.00 178.00 178.63 2bw2 h LEU 68 N 0.66 0.20 -2.29 1.56 7.12 -2.00 -3.25 115.31 117.32 2bw2 h LEU 68 Ca 0.27 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2bw2 h LEU 68 Cb 0.13 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.20 2bw2 h LEU 68 CO -0.16 1.23 -0.05 0.28 -0.13 0.00 0.00 178.44 179.61 2bw2 h SER 69 N 0.04 0.00 0.52 1.25 0.02 -1.84 0.44 113.55 113.97 2bw2 h SER 69 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2bw2 h SER 69 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2bw2 h SER 69 CO 0.14 0.05 -0.54 2.29 -1.14 0.00 0.00 176.83 177.63 2bw2 n LYS 70 N -3.53 0.03 0.00 3.45 2.85 -0.72 0.14 118.16 120.38 2bw2 n LYS 70 Ca -0.02 0.01 -0.02 0.00 -1.05 0.00 0.00 58.31 57.23 2bw2 n LYS 70 Cb 0.16 -1.52 -0.11 0.00 -0.65 0.00 0.00 35.03 32.91 2bw2 n LYS 70 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2bw2 n VAL 71 N -1.57 1.16 -0.04 0.58 0.24 0.02 -4.51 118.33 114.23 2bw2 n VAL 71 Ca 0.05 -0.71 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 2bw2 n VAL 71 Cb 0.35 -0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.83 0.92 -0.16 -1.34 2.85 -0.49 -5.04 115.26 109.18 2bw2 n ASN 72 Ca -0.14 0.34 -0.01 0.00 -0.11 0.00 0.00 54.58 54.66 2bw2 n ASN 72 Cb 0.89 -0.66 -0.00 0.00 1.24 0.00 0.00 39.78 41.25 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 1.61 0.34 3.30 8.20 0.00 0.12 -4.14 105.19 114.61 2bw2 n GLY 73 Ca -0.05 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.07 3.31 -0.18 1.61 1.51 -1.18 -3.58 117.35 116.76 2bw2 s TYR 74 Ca 0.00 -1.38 -0.18 0.00 -1.01 0.00 0.00 57.07 54.50 2bw2 s TYR 74 Cb 0.00 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 2bw2 s TYR 74 CO 0.00 -0.79 0.50 0.42 -1.11 0.00 0.00 175.55 174.57 2bw2 s ILE 75 N 1.45 5.13 -0.19 2.71 1.01 -1.26 -2.38 121.20 127.68 2bw2 s ILE 75 Ca 0.02 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.62 2bw2 s ILE 75 Cb -0.22 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2bw2 s ILE 75 CO 0.03 0.22 -0.19 -0.83 0.00 0.00 0.00 174.94 174.17 2bw2 s GLY 76 N 1.01 1.42 -0.18 6.18 0.00 0.64 -3.08 107.32 113.32 2bw2 s GLY 76 Ca 0.24 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2bw2 s GLY 76 CO 0.10 0.31 -0.07 0.14 0.00 0.00 0.00 173.10 173.57 2bw2 s VAL 77 N 1.29 3.34 0.56 1.40 1.01 -0.37 -2.29 120.40 125.34 2bw2 s VAL 77 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2bw2 s VAL 77 Cb -0.13 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2bw2 s VAL 77 CO -0.12 0.47 0.78 -0.44 0.00 0.00 0.00 175.10 175.79 2bw2 s SER 78 N 0.86 5.16 0.46 3.32 0.01 -0.98 -3.78 113.70 118.76 2bw2 s SER 78 Ca -0.02 -0.25 0.25 0.00 1.31 0.00 0.00 55.95 57.24 2bw2 s SER 78 Cb -0.15 -0.54 1.27 0.00 0.21 0.00 0.00 66.02 66.81 2bw2 s SER 78 CO 0.01 -1.22 1.82 0.44 0.41 0.00 0.00 173.24 174.70 2bw2 h ASP 79 N 0.08 0.25 -0.26 2.44 3.32 -1.97 0.53 116.42 120.82 2bw2 h ASP 79 Ca -0.39 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2bw2 h ASP 79 Cb 1.29 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2bw2 h ASP 79 CO 0.47 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.65 2bw2 n ASN 80 N -4.43 2.44 -0.89 6.45 3.02 -1.26 -4.56 115.26 116.02 2bw2 n ASN 80 Ca 0.22 -2.24 -0.06 0.00 -0.03 0.00 0.00 54.58 52.47 2bw2 n ASN 80 Cb 0.92 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.51 0.24 3.60 7.41 0.00 0.18 -3.18 105.19 113.95 2bw2 n GLY 81 Ca 0.11 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.53 4.00 -0.06 1.61 1.01 -1.04 -0.42 120.40 122.97 2bw2 s VAL 82 Ca 0.05 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2bw2 s VAL 82 Cb -0.02 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.13 2bw2 s VAL 82 CO 0.06 -0.78 1.62 -0.38 0.00 0.00 0.00 175.10 175.62 2bw2 n ILE 83 N 6.91 1.78 -3.58 2.22 2.08 0.71 -2.31 119.36 127.18 2bw2 n ILE 83 Ca 0.15 -0.53 -0.28 0.00 0.56 0.00 0.00 62.75 62.65 2bw2 n ILE 83 Cb 0.48 -1.24 -0.03 0.00 -0.75 0.00 0.00 39.64 38.10 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 1.22 6.40 0.17 4.38 0.01 -0.97 -4.23 113.70 120.67 2bw2 s SER 84 Ca 0.07 0.49 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 2bw2 s SER 84 Cb 0.06 -2.05 -0.07 0.00 0.21 0.00 0.00 66.02 64.17 2bw2 s SER 84 CO 0.00 -0.10 0.53 0.42 0.41 0.00 0.00 173.24 174.51 2bw2 s THR 85 N -1.95 4.91 0.35 1.44 -4.23 -1.26 -0.26 115.64 114.64 2bw2 s THR 85 Ca 0.40 0.66 0.05 0.00 -1.18 0.00 0.00 61.69 61.62 2bw2 s THR 85 Cb -0.11 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2bw2 s THR 85 CO 0.29 0.14 0.19 -0.36 -0.54 0.00 0.00 174.62 174.34 2bw2 s PHE 86 N -1.58 1.72 -0.53 3.99 0.40 -1.00 -2.31 117.98 118.67 2bw2 s PHE 86 Ca 0.41 -1.44 -0.17 0.00 -0.60 0.00 0.00 56.93 55.13 2bw2 s PHE 86 Cb -0.14 -0.92 0.11 0.00 0.51 0.00 0.00 43.02 42.58 2bw2 s PHE 86 CO 0.20 -0.55 0.51 -1.01 0.70 0.00 0.00 175.22 175.07 2bw2 s HIS 87 N -3.41 3.20 0.00 0.36 3.76 -1.26 -4.53 115.29 113.41 2bw2 s HIS 87 Ca 0.33 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2bw2 s HIS 87 Cb 0.03 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 30.06 2bw2 s HIS 87 CO 0.20 -1.01 0.00 0.41 -0.85 0.00 0.00 174.74 173.49 2bw2 n GLY 88 N 5.24 0.38 3.68 -2.22 0.00 -1.26 -4.75 105.19 106.26 2bw2 n GLY 88 Ca -0.12 -0.88 -0.51 0.00 0.00 0.00 0.00 46.02 44.50 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 2.47 1.81 -2.25 1.61 5.12 -1.26 -4.80 116.66 119.36 2bw2 n ARG 89 Ca 0.00 0.65 -0.43 0.00 -1.93 0.00 0.00 57.85 56.15 2bw2 n ARG 89 Cb 0.00 -2.48 -0.02 0.00 -1.16 0.00 0.00 32.46 28.80 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 4.10 3.42 0.13 5.56 0.04 -1.26 -4.81 135.00 142.17 2bw2 s PRO 90 Ca 0.96 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 2bw2 s PRO 90 Cb -0.81 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 2bw2 s PRO 90 CO 0.56 -1.77 0.06 -1.83 0.04 0.00 0.00 177.00 174.06 2bw2 s GLU 91 N 5.33 0.91 0.40 4.56 -1.05 -1.26 -4.89 118.70 122.70 2bw2 s GLU 91 Ca 0.65 -1.40 0.28 0.00 -0.15 0.00 0.00 54.97 54.35 2bw2 s GLU 91 Cb -0.15 0.25 1.32 0.00 -0.44 0.00 0.00 34.13 35.11 2bw2 s GLU 91 CO 0.31 -0.26 1.86 -1.00 0.95 0.00 0.00 175.26 177.12 2bw2 h PRO 92 N 2.87 0.00 -0.03 -4.83 0.13 -2.03 0.03 132.00 128.15 2bw2 h PRO 92 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2bw2 h PRO 92 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bw2 h PRO 92 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2bw2 n ALA 93 N -1.89 2.58 -2.69 -0.56 0.00 -1.26 -4.85 120.51 111.84 2bw2 n ALA 93 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 2bw2 n ALA 93 Cb 0.18 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.96 6.01 -0.31 0.00 0.15 -0.00 -5.08 113.70 112.50 2bw2 s SER 94 Ca 0.38 -0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.77 2bw2 s SER 94 Cb 0.21 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2bw2 s SER 94 CO 0.33 -0.26 0.30 -1.61 1.20 0.00 0.00 173.24 173.21 2bw2 s GLU 95 N -4.06 3.78 0.08 5.44 2.02 -1.26 -4.87 118.70 119.84 2bw2 s GLU 95 Ca 0.39 -0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.78 2bw2 s GLU 95 Cb -0.09 -3.73 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 2bw2 s GLU 95 CO 0.29 -0.36 1.64 -2.14 0.02 0.00 0.00 175.26 174.71 2bw2 s PRO 96 N 1.92 4.20 0.09 0.39 0.02 -1.26 -4.41 135.00 135.95 2bw2 s PRO 96 Ca 0.11 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 2bw2 s PRO 96 Cb -0.16 -3.53 -0.16 0.00 0.02 0.00 0.00 34.50 30.67 2bw2 s PRO 96 CO 0.11 -0.71 1.29 0.82 -0.33 0.00 0.00 177.00 178.18 2bw2 h ILE 97 N 4.68 1.30 -2.36 2.83 2.04 -1.85 -3.48 117.51 120.67 2bw2 h ILE 97 Ca -0.43 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 2bw2 h ILE 97 Cb 1.20 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2bw2 h ILE 97 CO 0.93 0.60 0.10 0.00 0.00 0.00 0.00 178.15 179.78 2bw2 n GLN 98 N -4.01 0.40 -3.68 2.37 0.00 -1.26 -4.80 117.38 106.39 2bw2 n GLN 98 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 57.00 55.99 2bw2 n GLN 98 Cb 0.71 0.99 -0.14 0.00 0.00 0.00 0.00 30.24 31.81 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 -1.74 0.23 0.00 2.61 0.15 -1.26 -4.46 113.70 109.23 2bw2 s SER 99 Ca 0.06 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2bw2 s SER 99 Cb -0.02 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2bw2 s SER 99 CO 0.04 -0.22 0.00 0.49 1.20 0.00 0.00 173.24 174.76 2bw2 n PHE 100 N 5.00 0.00 -4.46 3.44 3.72 -1.26 -5.02 117.46 118.89 2bw2 n PHE 100 Ca -0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 2bw2 n PHE 100 Cb 0.51 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.84 2.06 -0.11 1.38 0.40 -1.26 -4.97 117.98 114.63 2bw2 s PHE 101 Ca 0.00 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.67 2bw2 s PHE 101 Cb 0.00 -1.18 0.02 0.00 0.51 0.00 0.00 43.02 42.37 2bw2 s PHE 101 CO 0.00 0.34 -0.09 -0.65 0.70 0.00 0.00 175.22 175.52 2bw2 s GLN 102 N -3.71 1.68 0.43 0.44 -0.21 -1.23 -0.21 119.66 116.86 2bw2 s GLN 102 Ca 0.30 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.39 2bw2 s GLN 102 Cb 0.04 -1.65 -0.02 0.00 1.00 0.00 0.00 33.01 32.37 2bw2 s GLN 102 CO 0.13 -0.22 0.09 0.96 -2.12 0.00 0.00 175.29 174.13 2bw2 s ILE 103 N 1.53 0.79 -0.41 1.08 -4.36 0.44 -4.48 121.20 115.79 2bw2 s ILE 103 Ca 0.02 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.22 2bw2 s ILE 103 Cb -0.13 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.27 2bw2 s ILE 103 CO -0.07 0.00 0.60 -1.81 0.24 0.00 0.00 174.94 173.90 2bw2 s ASP 104 N -3.68 6.32 0.40 4.36 1.01 -1.26 -2.68 116.67 121.13 2bw2 s ASP 104 Ca 0.19 -0.28 0.16 0.00 0.71 0.00 0.00 52.55 53.34 2bw2 s ASP 104 Cb 0.03 -2.30 0.83 0.00 1.01 0.00 0.00 42.92 42.49 2bw2 s ASP 104 CO 0.11 -0.69 1.85 -0.07 0.21 0.00 0.00 175.17 176.58 2bw2 h LEU 105 N 9.48 0.00 -0.38 1.23 3.38 -1.89 -0.27 115.31 126.87 2bw2 h LEU 105 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bw2 h LEU 105 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 105 CO 0.86 0.33 0.00 -1.84 0.09 0.00 0.00 178.44 177.88 2bw2 n GLU 106 N -3.91 0.10 -0.00 1.13 0.28 -1.26 -1.47 120.64 115.52 2bw2 n GLU 106 Ca -0.02 0.35 0.09 0.00 -0.16 0.00 0.00 57.16 57.42 2bw2 n GLU 106 Cb 0.40 -1.69 -0.11 0.00 1.43 0.00 0.00 31.44 31.47 2bw2 n GLU 106 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2bw2 n ARG 107 N -1.88 0.83 -1.09 3.44 1.85 -0.16 -4.90 116.66 114.76 2bw2 n ARG 107 Ca 0.03 -0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.56 2bw2 n ARG 107 Cb 0.19 -1.38 0.11 0.00 -1.05 0.00 0.00 32.46 30.33 2bw2 n ARG 107 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bw2 s LEU 108 N -2.97 2.98 0.00 2.89 2.01 -0.54 -5.02 118.68 118.03 2bw2 s LEU 108 Ca 0.06 1.94 -0.11 0.00 0.01 0.00 0.00 54.13 56.02 2bw2 s LEU 108 Cb 0.14 -4.54 -0.06 0.00 0.01 0.00 0.00 46.19 41.74 2bw2 s LEU 108 CO 0.77 -2.37 0.83 1.05 1.01 0.00 0.00 176.35 177.64 2bw2 h GLU 109 N -1.36 -0.40 0.00 1.70 -0.00 -1.91 -3.49 114.58 109.13 2bw2 h GLU 109 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.95 2bw2 h GLU 109 Cb 1.24 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 30.08 2bw2 h GLU 109 CO 0.48 -0.26 0.00 0.43 -0.00 0.00 0.00 179.01 179.66 2bw2 n SER 110 N -3.53 0.00 0.12 3.06 7.64 -1.26 -5.00 113.62 114.64 2bw2 n SER 110 Ca -0.05 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.83 2bw2 n SER 110 Cb 0.16 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2bw2 h HIS 111 N 0.00 0.00 -0.06 1.43 3.86 -1.99 -3.22 115.15 115.17 2bw2 h HIS 111 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2bw2 h HIS 111 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 2bw2 h HIS 111 CO 0.00 0.63 -0.25 0.52 0.86 0.00 0.00 177.93 179.70 2bw2 h MET 112 N 0.00 -0.34 -0.34 2.45 2.86 -1.97 0.40 114.93 117.99 2bw2 h MET 112 Ca -0.01 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 112 Cb 1.46 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 2bw2 h MET 112 CO 0.08 -0.23 -0.20 -0.56 1.06 0.00 0.00 176.91 177.06 2bw2 h GLN 113 N -0.35 0.66 -0.04 1.72 3.07 -1.91 -2.44 115.11 115.82 2bw2 h GLN 113 Ca 0.08 -0.24 -0.07 0.00 0.09 0.00 0.00 58.65 58.51 2bw2 h GLN 113 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 2bw2 h GLN 113 CO -0.26 0.81 -0.28 0.87 0.09 0.00 0.00 178.83 180.06 2bw2 h LYS 114 N 0.58 0.08 -0.11 0.06 1.79 -1.40 0.67 116.57 118.24 2bw2 h LYS 114 Ca 0.09 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.36 2bw2 h LYS 114 Cb 0.67 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2bw2 h LYS 114 CO 0.05 0.36 -0.65 -0.91 -1.08 0.00 0.00 179.45 177.22 2bw2 h ASN 115 N 0.07 0.48 0.76 0.86 2.35 -0.49 -2.70 115.58 116.91 2bw2 h ASN 115 Ca 0.01 -0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.36 2bw2 h ASN 115 Cb 0.54 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2bw2 h ASN 115 CO 0.04 1.00 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.22 2bw2 h LEU 116 N 0.30 0.00 -0.80 1.61 3.38 -0.92 0.36 115.31 119.24 2bw2 h LEU 116 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2bw2 h LEU 116 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2bw2 h LEU 116 CO 0.11 0.53 0.16 -0.07 0.09 0.00 0.00 178.44 179.27 2bw2 h LEU 117 N 0.00 1.00 -0.09 1.67 3.38 -0.67 -0.91 115.31 119.70 2bw2 h LEU 117 Ca -0.01 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.54 2bw2 h LEU 117 Cb 1.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2bw2 h LEU 117 CO 0.07 0.96 -1.02 0.11 0.09 0.00 0.00 178.44 178.65 2bw2 h LYS 118 N 1.01 0.17 0.00 1.13 1.57 -1.26 -3.36 116.57 115.83 2bw2 h LYS 118 Ca 0.21 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2bw2 h LYS 118 Cb 0.36 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2bw2 h LYS 118 CO 0.00 1.05 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 2bw2 n GLY 119 N 1.19 0.79 3.72 3.86 0.00 0.10 -4.08 105.19 110.78 2bw2 n GLY 119 Ca -0.04 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2bw2 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bw2 s ILE 120 N -1.07 3.47 -1.50 -0.61 -1.09 -1.18 -4.83 121.20 114.40 2bw2 s ILE 120 Ca 0.00 1.11 0.23 0.00 -2.23 0.00 0.00 60.65 59.76 2bw2 s ILE 120 Cb 0.00 -3.71 0.44 0.00 -1.58 0.00 0.00 42.46 37.61 2bw2 s ILE 120 CO 0.00 0.11 1.76 -0.81 -1.23 0.00 0.00 174.94 174.78 2bw2 n PRO 121 N 3.48 0.38 -3.64 2.79 -0.04 -1.26 -3.11 135.00 133.61 2bw2 n PRO 121 Ca 0.09 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2bw2 n PRO 121 Cb 0.44 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2bw2 n PRO 121 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2bw2 s PHE 122 N -2.50 -0.50 -0.05 0.54 -0.12 -1.24 -4.70 117.98 109.42 2bw2 s PHE 122 Ca 0.24 1.18 -0.18 0.00 -0.05 0.00 0.00 56.93 58.12 2bw2 s PHE 122 Cb 0.16 0.36 0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2bw2 s PHE 122 CO 0.34 -0.24 0.40 1.03 -0.05 0.00 0.00 175.22 176.70 2bw2 s ARG 123 N 0.38 0.70 0.41 1.99 1.81 -1.25 -4.95 118.95 118.04 2bw2 s ARG 123 Ca 0.02 0.06 0.07 0.00 -1.72 0.00 0.00 55.73 54.16 2bw2 s ARG 123 Cb -0.05 0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 34.72 2bw2 s ARG 123 CO -0.07 -0.18 0.16 0.99 -0.68 0.00 0.00 175.30 175.51 2bw2 s THR 124 N -0.97 2.32 0.30 0.02 2.01 -1.26 -4.85 115.64 113.20 2bw2 s THR 124 Ca -0.10 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.18 2bw2 s THR 124 Cb -0.04 -2.99 0.15 0.00 0.01 0.00 0.00 72.50 69.63 2bw2 s THR 124 CO 0.05 -0.01 1.84 0.07 -0.69 0.00 0.00 174.62 175.87 2bw2 h LYS 125 N 1.47 0.73 0.00 4.92 5.09 -1.99 0.41 116.57 127.20 2bw2 h LYS 125 Ca -0.43 -0.15 -0.09 0.00 0.09 0.00 0.00 60.65 60.06 2bw2 h LYS 125 Cb 1.25 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 33.46 2bw2 h LYS 125 CO 0.70 0.69 -0.45 0.00 -2.09 0.00 0.00 179.45 178.31 2bw2 h ALA 126 N 1.39 0.91 0.00 0.07 0.00 -2.00 -2.61 119.26 117.02 2bw2 h ALA 126 Ca 0.15 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2bw2 h ALA 126 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2bw2 h ALA 126 CO 0.00 0.56 -1.04 0.93 0.00 0.00 0.00 179.25 179.70 2bw2 h GLU 127 N 0.00 0.00 0.36 0.00 5.08 -1.70 -2.09 114.58 116.23 2bw2 h GLU 127 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bw2 h GLU 127 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2bw2 h GLU 127 CO 0.06 0.81 -0.17 0.35 -1.00 0.00 0.00 179.01 179.06 2bw2 h PHE 128 N 0.00 -0.45 0.00 4.33 3.57 -0.60 0.12 116.94 123.91 2bw2 h PHE 128 Ca -0.06 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2bw2 h PHE 128 Cb 1.73 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 2bw2 h PHE 128 CO 0.00 -0.21 -0.20 1.05 -2.23 0.00 0.00 178.31 176.72 2bw2 h GLU 129 N -0.60 0.00 -0.20 1.11 4.11 -1.52 0.11 114.58 117.59 2bw2 h GLU 129 Ca -0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2bw2 h GLU 129 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2bw2 h GLU 129 CO 0.08 0.20 -0.38 0.22 0.07 0.00 0.00 179.01 179.20 2bw2 h ASP 130 N 0.00 0.68 0.09 3.06 3.58 -1.05 -0.06 116.42 122.71 2bw2 h ASP 130 Ca -0.00 -0.54 -0.21 0.00 0.42 0.00 0.00 57.03 56.69 2bw2 h ASP 130 Cb 0.39 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2bw2 h ASP 130 CO 0.03 1.10 -0.79 1.62 -2.88 0.00 0.00 179.24 178.31 2bw2 h VAL 131 N 0.29 1.33 -0.49 2.25 3.04 -0.46 -2.92 116.25 119.29 2bw2 h VAL 131 Ca 0.01 -2.11 -0.07 0.00 -1.01 0.00 0.00 66.70 63.52 2bw2 h VAL 131 Cb 0.98 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 2bw2 h VAL 131 CO 0.09 0.65 0.04 0.40 -1.01 0.00 0.00 177.57 177.73 2bw2 h ILE 132 N 0.39 1.24 0.00 3.17 5.03 -0.93 -0.36 117.51 126.05 2bw2 h ILE 132 Ca -0.05 -0.95 -0.03 0.00 -0.12 0.00 0.00 64.86 63.71 2bw2 h ILE 132 Cb 1.40 0.82 -0.00 0.00 -3.03 0.00 0.00 36.82 36.01 2bw2 h ILE 132 CO 0.15 0.34 -0.12 1.05 -0.68 0.00 0.00 178.15 178.89 2bw2 h GLU 133 N 0.76 0.00 0.19 2.37 4.11 -0.98 -0.14 114.58 120.89 2bw2 h GLU 133 Ca 0.15 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.28 2bw2 h GLU 133 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 2bw2 h GLU 133 CO 0.01 0.12 -1.36 1.25 0.07 0.00 0.00 179.01 179.11 2bw2 h HIS 134 N 0.00 0.73 -0.25 2.06 2.76 -1.10 -2.75 115.15 116.59 2bw2 h HIS 134 Ca -0.00 -0.53 -0.04 0.00 -2.20 0.00 0.00 60.37 57.60 2bw2 h HIS 134 Cb 0.58 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2bw2 h HIS 134 CO 0.00 1.41 0.00 0.52 -1.30 0.00 0.00 177.93 178.57 2bw2 h MET 135 N 0.11 0.44 0.00 5.26 2.86 -0.55 -2.79 114.93 120.26 2bw2 h MET 135 Ca -0.19 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2bw2 h MET 135 Cb 2.07 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.69 2bw2 h MET 135 CO 0.24 0.61 0.00 1.57 1.06 0.00 0.00 176.91 180.39 2bw2 h LYS 136 N 0.22 0.00 0.00 1.72 2.10 -1.12 -0.10 116.57 119.40 2bw2 h LYS 136 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2bw2 h LYS 136 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2bw2 h LYS 136 CO 0.01 0.00 0.00 1.15 -2.00 0.00 0.00 179.45 178.61 2bw2 h THR 137 N 0.00 0.00 0.00 0.07 2.02 -1.20 -3.14 112.91 110.66 2bw2 h THR 137 Ca 0.00 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 2bw2 h THR 137 Cb 0.47 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2bw2 h THR 137 CO 0.00 0.00 -0.81 1.88 0.37 0.00 0.00 175.52 176.96 2bw2 h TYR 138 N 0.00 0.00 -3.58 3.16 0.05 -1.01 -3.48 116.97 112.11 2bw2 h TYR 138 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 2bw2 h TYR 138 Cb 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 2bw2 h TYR 138 CO 0.00 0.69 -0.18 -1.13 -1.05 0.00 0.00 178.16 176.49 2bw2 n SER 139 N -4.54 -2.58 0.00 3.88 3.41 -0.99 -4.93 113.62 107.88 2bw2 n SER 139 Ca -0.18 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 58.80 2bw2 n SER 139 Cb 0.44 -2.33 0.56 0.00 -0.26 0.00 0.00 64.21 62.62 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49