#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2efi s SER 2 N 0.00 -0.21 -0.36 1.61 0.01 -1.26 -5.13 113.70 108.37 2efi s SER 2 Ca 0.00 0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.62 2efi s SER 2 Cb 0.00 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.67 2efi s SER 2 CO 0.00 -0.10 0.13 -0.94 0.41 0.00 0.00 173.24 172.74 2efi s SER 3 N 0.46 5.29 0.00 2.44 1.04 -1.26 -5.02 113.70 116.65 2efi s SER 3 Ca -0.03 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2efi s SER 3 Cb -0.04 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2efi s SER 3 CO -0.02 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2efi n GLY 4 N 4.77 4.20 0.36 7.32 0.00 -1.26 -4.86 105.19 115.72 2efi n GLY 4 Ca -0.11 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.84 2efi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2efi n SER 5 N 0.00 1.00 0.02 1.61 3.41 -1.26 -4.21 113.62 114.19 2efi n SER 5 Ca 0.00 -2.02 -0.00 0.00 -0.26 0.00 0.00 58.87 56.59 2efi n SER 5 Cb 0.00 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2efi n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2efi n SER 6 N -0.00 0.58 -3.92 4.04 3.41 -1.26 -4.97 113.62 111.50 2efi n SER 6 Ca 0.06 0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 2efi n SER 6 Cb 0.17 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2efi n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2efi n GLY 7 N 3.46 -0.96 3.57 5.00 0.00 -1.26 -4.94 105.19 110.06 2efi n GLY 7 Ca -0.00 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2efi n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2efi s MET 8 N -6.26 0.62 0.41 1.61 0.00 -1.26 -5.14 119.30 109.28 2efi s MET 8 Ca 0.27 0.15 -0.25 0.00 0.00 0.00 0.00 55.69 55.86 2efi s MET 8 Cb -0.15 0.29 -0.08 0.00 0.00 0.00 0.00 34.83 34.89 2efi s MET 8 CO 0.88 -0.19 1.23 0.00 0.00 0.00 0.00 175.02 176.93 2efi s ALA 9 N -1.11 3.17 -0.62 4.11 0.00 -1.26 -4.92 121.76 121.12 2efi s ALA 9 Ca -0.02 1.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 2efi s ALA 9 Cb -0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2efi s ALA 9 CO 0.02 -0.70 1.87 -1.25 0.00 0.00 0.00 175.76 175.70 2efi s PRO 10 N -2.33 2.62 0.46 0.00 0.04 -1.26 -4.96 135.00 129.58 2efi s PRO 10 Ca 0.58 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.24 2efi s PRO 10 Cb -0.34 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.74 2efi s PRO 10 CO 0.43 -2.76 0.01 0.15 0.04 0.00 0.00 177.00 174.87 2efi s LYS 11 N 7.05 2.08 0.36 4.56 -0.14 -1.26 -5.10 119.74 127.29 2efi s LYS 11 Ca 0.67 -2.26 -0.28 0.00 -1.36 0.00 0.00 55.97 52.74 2efi s LYS 11 Cb -0.12 -1.55 -0.11 0.00 -1.68 0.00 0.00 37.83 34.36 2efi s LYS 11 CO 0.20 -0.22 1.47 0.00 -0.76 0.00 0.00 175.35 176.03 2efi n GLN 12 N -1.12 2.59 -3.59 1.68 10.64 -1.26 -5.00 117.38 121.31 2efi n GLN 12 Ca -0.12 0.91 -0.09 0.00 -1.83 0.00 0.00 57.00 55.87 2efi n GLN 12 Cb 0.67 -2.62 -0.05 0.00 -0.86 0.00 0.00 30.24 27.38 2efi n GLN 12 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 2efi s ASP 13 N -0.09 -0.31 0.86 2.61 1.47 -1.26 -5.07 116.67 114.88 2efi s ASP 13 Ca 0.55 0.37 -0.11 0.00 1.18 0.00 0.00 52.55 54.54 2efi s ASP 13 Cb -0.49 0.30 0.11 0.00 -0.34 0.00 0.00 42.92 42.49 2efi s ASP 13 CO 0.62 -0.27 1.09 -2.16 0.68 0.00 0.00 175.17 175.13 2efi s PRO 14 N -0.96 1.55 -0.12 2.11 0.04 -1.26 -5.05 135.00 131.32 2efi s PRO 14 Ca 0.01 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.91 2efi s PRO 14 Cb -0.01 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2efi s PRO 14 CO -0.01 -2.07 0.11 0.21 0.04 0.00 0.00 177.00 175.29 2efi s LYS 15 N -4.93 3.39 0.91 4.56 2.20 -1.26 -5.01 119.74 119.60 2efi s LYS 15 Ca 0.63 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.94 2efi s LYS 15 Cb -0.18 -3.13 0.13 0.00 -1.51 0.00 0.00 37.83 33.15 2efi s LYS 15 CO 0.57 0.75 1.09 -1.25 -0.36 0.00 0.00 175.35 176.15 2efi s PRO 16 N -0.95 1.17 -0.23 4.03 0.04 -1.26 -5.02 135.00 132.78 2efi s PRO 16 Ca 0.14 0.80 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2efi s PRO 16 Cb -0.12 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 2efi s PRO 16 CO 0.03 -2.29 -0.27 1.63 0.04 0.00 0.00 177.00 176.14 2efi n LYS 17 N -3.91 0.52 -2.52 4.56 5.02 -1.26 -5.00 118.16 115.56 2efi n LYS 17 Ca 0.07 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.23 2efi n LYS 17 Cb 0.55 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 2efi n LYS 17 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2efi s PHE 18 N -2.44 3.45 0.21 2.13 0.40 -1.26 -5.08 117.98 115.38 2efi s PHE 18 Ca -0.32 1.39 0.09 0.00 -0.60 0.00 0.00 56.93 57.48 2efi s PHE 18 Cb 0.11 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 2efi s PHE 18 CO 0.45 -0.29 -0.04 -0.65 0.70 0.00 0.00 175.22 175.38 2efi s GLN 19 N -3.96 2.23 0.22 0.44 -0.21 -1.26 -5.06 119.66 112.05 2efi s GLN 19 Ca 0.57 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 2efi s GLN 19 Cb -0.10 -2.21 -0.09 0.00 1.00 0.00 0.00 33.01 31.60 2efi s GLN 19 CO 0.30 0.42 1.39 -1.21 -2.12 0.00 0.00 175.29 174.07 2efi s GLU 20 N -3.13 4.31 0.00 2.91 2.02 -1.26 -2.56 118.70 121.00 2efi s GLU 20 Ca 0.28 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2efi s GLU 20 Cb -0.08 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.00 2efi s GLU 20 CO 0.18 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.50 2efi n GLY 21 N 2.43 2.64 3.68 -1.39 0.00 0.73 -5.00 105.19 108.27 2efi n GLY 21 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2efi n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2efi s GLU 22 N -0.97 4.31 0.41 1.61 2.12 -1.06 -4.84 118.70 120.30 2efi s GLU 22 Ca 0.00 0.93 -0.26 0.00 0.36 0.00 0.00 54.97 56.00 2efi s GLU 22 Cb 0.00 -3.55 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 2efi s GLU 22 CO 0.00 -0.24 1.30 -2.13 -0.54 0.00 0.00 175.26 173.65 2efi n ARG 23 N 4.91 2.01 -3.86 4.30 0.63 -1.26 -3.05 116.66 120.34 2efi n ARG 23 Ca 0.02 0.71 -0.09 0.00 -0.92 0.00 0.00 57.85 57.57 2efi n ARG 23 Cb 0.49 -2.41 -0.05 0.00 0.45 0.00 0.00 32.46 30.95 2efi n ARG 23 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2efi s VAL 24 N -1.18 0.03 -0.20 5.15 -7.23 -0.64 -4.64 120.40 111.67 2efi s VAL 24 Ca 0.60 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 2efi s VAL 24 Cb -0.51 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2efi s VAL 24 CO 0.59 -0.12 0.00 -0.76 -0.31 0.00 0.00 175.10 174.50 2efi s LEU 25 N -2.93 3.26 0.10 1.32 1.43 -1.25 -2.28 118.68 118.32 2efi s LEU 25 Ca 0.14 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2efi s LEU 25 Cb -0.00 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2efi s LEU 25 CO 0.01 0.05 0.26 0.00 0.23 0.00 0.00 176.35 176.91 2efi s PHE 27 N -1.59 3.41 -0.26 0.00 0.08 -1.01 -3.20 117.98 115.40 2efi s PHE 27 Ca 0.36 -1.85 0.10 0.00 0.12 0.00 0.00 56.93 55.67 2efi s PHE 27 Cb -0.12 -3.10 0.49 0.00 -0.57 0.00 0.00 43.02 39.71 2efi s PHE 27 CO 0.27 -0.91 1.41 1.58 -0.10 0.00 0.00 175.22 177.48 2efi n HIS 28 N 4.82 0.87 -0.99 0.36 -0.00 -1.26 -5.03 115.22 113.99 2efi n HIS 28 Ca -0.08 -1.50 0.00 0.00 0.46 0.00 0.00 57.72 56.60 2efi n HIS 28 Cb 0.42 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2efi n HIS 28 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2efi n GLY 29 N -1.08 0.54 0.00 1.57 0.00 -1.26 -4.85 105.19 100.11 2efi n GLY 29 Ca 0.29 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.74 2efi n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2efi n PRO 30 N 0.00 0.49 -4.08 1.61 -0.04 -1.26 -4.69 135.00 127.04 2efi n PRO 30 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2efi n PRO 30 Cb 0.00 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.99 2efi n PRO 30 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2efi s LEU 31 N -1.71 2.28 0.10 1.53 1.43 -1.26 -4.88 118.68 116.17 2efi s LEU 31 Ca 0.17 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2efi s LEU 31 Cb 0.08 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2efi s LEU 31 CO 0.13 -0.22 0.27 -0.76 0.23 0.00 0.00 176.35 176.00 2efi s LEU 32 N -1.71 4.33 0.02 1.79 1.43 -1.26 -4.00 118.68 119.26 2efi s LEU 32 Ca -0.08 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2efi s LEU 32 Cb -0.09 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 2efi s LEU 32 CO 0.00 0.12 -0.09 -0.31 0.23 0.00 0.00 176.35 176.30 2efi s TYR 33 N -1.58 0.83 0.22 0.29 1.51 -1.20 -4.84 117.35 112.59 2efi s TYR 33 Ca 0.37 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 2efi s TYR 33 Cb -0.13 -0.51 -0.09 0.00 -0.11 0.00 0.00 41.96 41.12 2efi s TYR 33 CO 0.27 -0.01 1.37 -2.00 -1.11 0.00 0.00 175.55 174.07 2efi s GLU 34 N -0.76 4.33 0.33 -0.62 2.12 -1.26 -3.09 118.70 119.75 2efi s GLU 34 Ca -0.00 2.17 -0.10 0.00 0.36 0.00 0.00 54.97 57.40 2efi s GLU 34 Cb -0.06 -3.15 0.04 0.00 0.26 0.00 0.00 34.13 31.22 2efi s GLU 34 CO 0.00 -0.33 0.61 0.00 -0.54 0.00 0.00 175.26 175.00 2efi n ALA 35 N 2.48 -1.17 -3.18 6.30 0.00 -0.96 -2.88 120.51 121.09 2efi n ALA 35 Ca 0.06 -1.18 -0.12 0.00 0.00 0.00 0.00 53.44 52.20 2efi n ALA 35 Cb 0.42 0.94 -0.10 0.00 0.00 0.00 0.00 19.45 20.71 2efi n ALA 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2efi s LYS 36 N -2.25 0.54 -0.44 0.00 2.36 -1.25 -1.63 119.74 117.08 2efi s LYS 36 Ca 0.17 -0.17 -0.28 0.00 -2.55 0.00 0.00 55.97 53.13 2efi s LYS 36 Cb -0.03 0.24 -0.00 0.00 -1.05 0.00 0.00 37.83 36.98 2efi s LYS 36 CO 0.12 -0.13 1.59 0.00 1.55 0.00 0.00 175.35 178.48 2efi n VAL 38 N 7.17 0.12 -3.49 0.00 0.24 -0.89 -0.19 118.33 121.28 2efi n VAL 38 Ca 0.18 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 2efi n VAL 38 Cb 0.48 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 2efi n VAL 38 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2efi s LYS 39 N -3.48 1.08 -0.14 7.34 1.02 -1.25 -4.93 119.74 119.38 2efi s LYS 39 Ca -0.06 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2efi s LYS 39 Cb 0.13 0.50 0.04 0.00 -0.52 0.00 0.00 37.83 37.99 2efi s LYS 39 CO 0.89 -0.40 -0.01 0.08 -0.92 0.00 0.00 175.35 174.99 2efi s VAL 40 N -2.25 0.66 0.26 3.17 1.01 -1.26 -0.56 120.40 121.43 2efi s VAL 40 Ca -0.05 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.69 2efi s VAL 40 Cb -0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2efi s VAL 40 CO -0.00 0.07 -0.17 0.00 0.00 0.00 0.00 175.10 174.99 2efi s ALA 41 N 1.83 2.48 -0.07 5.51 0.00 -1.19 -5.02 121.76 125.31 2efi s ALA 41 Ca 0.02 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.16 2efi s ALA 41 Cb -0.15 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2efi s ALA 41 CO -0.07 0.18 -0.01 0.42 0.00 0.00 0.00 175.76 176.28 2efi s ILE 42 N -2.70 0.41 0.20 0.00 1.01 -1.26 -0.63 121.20 118.24 2efi s ILE 42 Ca 0.27 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 2efi s ILE 42 Cb -0.03 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.92 2efi s ILE 42 CO 0.12 0.25 0.49 -0.54 0.00 0.00 0.00 174.94 175.26 2efi s LYS 43 N 1.73 1.38 -1.27 2.79 1.02 -0.04 -4.92 119.74 120.43 2efi s LYS 43 Ca 0.01 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 2efi s LYS 43 Cb -0.13 0.50 0.04 0.00 -0.52 0.00 0.00 37.83 37.72 2efi s LYS 43 CO -0.04 -0.58 0.37 -3.47 -0.92 0.00 0.00 175.35 170.71 2efi n ASP 44 N -0.33 -4.22 -1.98 2.83 2.03 -1.26 0.30 116.55 113.91 2efi n ASP 44 Ca -0.08 -0.20 -0.20 0.00 0.52 0.00 0.00 54.79 54.83 2efi n ASP 44 Cb 0.62 -3.50 -0.04 0.00 -0.72 0.00 0.00 41.12 37.49 2efi n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2efi n LYS 45 N -3.51 -1.51 -4.07 -0.67 4.01 -1.26 -4.97 118.16 106.18 2efi n LYS 45 Ca -0.07 1.05 -0.12 0.00 -0.51 0.00 0.00 58.31 58.66 2efi n LYS 45 Cb 0.58 -5.55 -0.11 0.00 -0.51 0.00 0.00 35.03 29.43 2efi n LYS 45 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2efi s GLN 46 N -4.50 0.55 -0.27 1.97 -2.07 0.15 -5.00 119.66 110.49 2efi s GLN 46 Ca 0.00 -0.87 -0.09 0.00 -1.82 0.00 0.00 55.36 52.58 2efi s GLN 46 Cb 0.00 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.69 2efi s GLN 46 CO 0.00 0.01 0.14 0.08 -1.32 0.00 0.00 175.29 174.20 2efi s VAL 47 N -1.94 4.86 0.52 3.63 1.01 -1.26 -0.86 120.40 126.36 2efi s VAL 47 Ca -0.06 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2efi s VAL 47 Cb -0.06 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2efi s VAL 47 CO -0.01 0.28 0.50 -0.54 0.00 0.00 0.00 175.10 175.33 2efi s LYS 48 N 1.69 2.34 -0.22 2.72 1.02 0.20 -1.47 119.74 126.02 2efi s LYS 48 Ca 0.07 -1.81 -0.08 0.00 0.02 0.00 0.00 55.97 54.17 2efi s LYS 48 Cb -0.16 -2.30 0.10 0.00 -0.52 0.00 0.00 37.83 34.95 2efi s LYS 48 CO 0.08 -0.58 0.48 0.71 -0.92 0.00 0.00 175.35 175.12 2efi s TYR 49 N -2.67 -0.92 -0.30 3.18 1.51 0.41 -3.14 117.35 115.42 2efi s TYR 49 Ca 0.44 1.72 -0.28 0.00 -1.01 0.00 0.00 57.07 57.94 2efi s TYR 49 Cb -0.03 0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 42.21 2efi s TYR 49 CO 0.27 -0.52 2.02 0.12 -1.11 0.00 0.00 175.55 176.34 2efi s PHE 50 N 2.54 1.48 -0.08 2.71 5.36 0.28 -2.13 117.98 128.14 2efi s PHE 50 Ca -0.04 0.65 -0.21 0.00 -0.96 0.00 0.00 56.93 56.37 2efi s PHE 50 Cb -0.11 -4.01 -0.04 0.00 -0.34 0.00 0.00 43.02 38.52 2efi s PHE 50 CO -0.14 -3.40 0.58 0.42 -1.46 0.00 0.00 175.22 171.22 2efi s ILE 51 N 7.89 5.09 -0.56 3.12 -1.09 -0.27 -2.10 121.20 133.28 2efi s ILE 51 Ca 0.89 1.19 -0.03 0.00 -2.23 0.00 0.00 60.65 60.47 2efi s ILE 51 Cb -0.26 -3.92 0.15 0.00 -1.58 0.00 0.00 42.46 36.84 2efi s ILE 51 CO 0.33 0.31 0.38 -2.28 -1.23 0.00 0.00 174.94 172.46 2efi s HIS 52 N 0.56 3.47 -0.35 3.97 5.65 -1.16 -3.15 115.29 124.28 2efi s HIS 52 Ca 0.31 -2.58 -0.32 0.00 0.25 0.00 0.00 55.06 52.72 2efi s HIS 52 Cb -0.17 -3.24 -0.10 0.00 -1.18 0.00 0.00 32.58 27.90 2efi s HIS 52 CO 0.14 -0.89 2.24 0.66 -0.65 0.00 0.00 174.74 176.24 2efi n TYR 53 N 3.86 1.64 -1.53 3.88 4.01 -1.26 -3.77 117.16 123.99 2efi n TYR 53 Ca 0.04 0.16 -0.29 0.00 -0.16 0.00 0.00 57.90 57.65 2efi n TYR 53 Cb 0.39 -2.59 -0.09 0.00 -0.31 0.00 0.00 39.34 36.74 2efi n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2efi n SER 54 N 10.87 1.23 -3.46 7.72 2.88 -1.14 -4.73 113.62 126.98 2efi n SER 54 Ca 0.39 -0.62 0.04 0.00 -1.33 0.00 0.00 58.87 57.34 2efi n SER 54 Cb 0.31 -1.32 0.01 0.00 -0.75 0.00 0.00 64.21 62.46 2efi n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2efi n GLY 55 N 6.25 0.15 0.01 0.46 0.00 -1.26 -5.02 105.19 105.79 2efi n GLY 55 Ca 0.50 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2efi n GLY 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2efi h TRP 56 N 1.81 -0.03 -2.14 1.61 7.01 -2.03 -3.42 115.95 118.76 2efi h TRP 56 Ca -0.16 -0.00 -0.60 0.00 2.11 0.00 0.00 58.89 60.24 2efi h TRP 56 Cb 0.95 0.01 0.03 0.00 -2.10 0.00 0.00 29.16 28.05 2efi h TRP 56 CO 0.00 -0.02 1.02 0.09 -2.79 0.00 0.00 178.44 176.74 2efi n ASN 57 N -2.11 3.41 -0.00 2.65 4.13 -1.26 -4.85 115.26 117.22 2efi n ASN 57 Ca -0.00 1.00 0.09 0.00 1.68 0.00 0.00 54.58 57.35 2efi n ASN 57 Cb 0.01 -1.40 -0.12 0.00 -1.54 0.00 0.00 39.78 36.73 2efi n ASN 57 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2efi n LYS 58 N 5.73 0.58 -0.12 3.52 0.00 -1.26 -4.37 118.16 122.25 2efi n LYS 58 Ca 0.21 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.36 2efi n LYS 58 Cb 0.30 -1.43 0.01 0.00 -0.00 0.00 0.00 35.03 33.91 2efi n LYS 58 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2efi h ASN 59 N 0.00 0.95 -0.03 -5.58 -0.73 -1.99 -2.77 115.58 105.44 2efi h ASN 59 Ca 0.00 -0.40 0.01 0.00 1.87 0.00 0.00 56.30 57.78 2efi h ASN 59 Cb 0.58 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.90 2efi h ASN 59 CO 0.00 1.17 0.44 -0.25 -0.37 0.00 0.00 177.43 178.43 2efi h TRP 60 N 0.76 0.00 -1.58 0.67 7.01 -1.99 -3.42 115.95 117.41 2efi h TRP 60 Ca 0.08 0.00 -0.44 0.00 2.11 0.00 0.00 58.89 60.64 2efi h TRP 60 Cb 0.88 0.00 0.23 0.00 -2.10 0.00 0.00 29.16 28.17 2efi h TRP 60 CO 0.05 0.00 -1.83 -0.40 -2.79 0.00 0.00 178.44 173.47 2efi n ASP 61 N -2.87 -2.71 -3.62 2.65 5.68 -1.05 -4.96 116.55 109.68 2efi n ASP 61 Ca -0.01 -0.08 -0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2efi n ASP 61 Cb 0.49 -0.70 -0.01 0.00 -1.14 0.00 0.00 41.12 39.76 2efi n ASP 61 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2efi s GLU 62 N -2.67 0.44 -0.16 0.11 -1.05 -1.19 -5.05 118.70 109.13 2efi s GLU 62 Ca 0.43 -0.23 -0.08 0.00 -0.15 0.00 0.00 54.97 54.94 2efi s GLU 62 Cb 0.00 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2efi s GLU 62 CO 0.62 -0.20 0.12 -1.58 0.95 0.00 0.00 175.26 175.16 2efi s TRP 63 N -2.50 3.45 0.09 4.83 0.52 -1.26 -1.12 118.94 122.96 2efi s TRP 63 Ca 0.13 0.37 0.06 0.00 0.02 0.00 0.00 56.10 56.68 2efi s TRP 63 Cb 0.03 -2.04 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2efi s TRP 63 CO -0.04 0.47 -0.16 0.14 0.02 0.00 0.00 176.95 177.38 2efi s VAL 64 N -0.27 1.31 0.00 4.03 -7.23 -0.91 -4.90 120.40 112.43 2efi s VAL 64 Ca 0.10 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2efi s VAL 64 Cb -0.12 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2efi s VAL 64 CO 0.01 -0.23 0.00 -0.81 -0.31 0.00 0.00 175.10 173.76 2efi n PRO 65 N 1.06 -0.54 0.07 4.82 -0.04 -1.26 0.16 135.00 139.27 2efi n PRO 65 Ca -0.19 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2efi n PRO 65 Cb 0.55 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.25 2efi n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2efi n GLU 66 N -1.15 0.28 0.09 0.54 2.13 -0.54 -3.57 120.64 118.42 2efi n GLU 66 Ca 0.00 0.13 0.12 0.00 0.66 0.00 0.00 57.16 58.06 2efi n GLU 66 Cb 0.00 -1.72 0.03 0.00 0.27 0.00 0.00 31.44 30.01 2efi n GLU 66 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2efi n SER 67 N -2.16 0.80 0.01 4.31 7.64 -1.26 -3.76 113.62 119.20 2efi n SER 67 Ca 0.04 0.25 0.12 0.00 1.01 0.00 0.00 58.87 60.30 2efi n SER 67 Cb 0.44 0.44 0.33 0.00 -1.01 0.00 0.00 64.21 64.41 2efi n SER 67 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2efi n ARG 68 N -2.53 0.04 -4.15 1.43 1.74 -1.23 -4.85 116.66 107.11 2efi n ARG 68 Ca 0.01 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 2efi n ARG 68 Cb 0.52 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 2efi n ARG 68 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2efi s VAL 69 N -3.02 4.63 0.37 1.55 1.01 -1.25 -2.41 120.40 121.28 2efi s VAL 69 Ca 0.11 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.78 2efi s VAL 69 Cb 0.17 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2efi s VAL 69 CO 0.66 0.39 0.02 -0.76 0.00 0.00 0.00 175.10 175.42 2efi s LEU 70 N -1.59 2.94 0.00 3.92 1.43 -0.96 -4.94 118.68 119.48 2efi s LEU 70 Ca 0.21 -1.11 0.24 0.00 -1.03 0.00 0.00 54.13 52.43 2efi s LEU 70 Cb -0.12 -1.22 1.42 0.00 0.03 0.00 0.00 46.19 46.30 2efi s LEU 70 CO 0.12 -0.32 1.90 0.29 0.23 0.00 0.00 176.35 178.56 2efi n LYS 71 N -0.98 0.97 -3.91 1.70 4.01 -1.26 -3.85 118.16 114.84 2efi n LYS 71 Ca -0.04 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.50 2efi n LYS 71 Cb 0.64 -1.38 -0.01 0.00 -0.51 0.00 0.00 35.03 33.77 2efi n LYS 71 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2efi n TYR 72 N -0.88 -1.68 -4.24 2.13 4.19 -1.26 -4.94 117.16 110.48 2efi n TYR 72 Ca 0.18 0.70 -0.24 0.00 3.31 0.00 0.00 57.90 61.84 2efi n TYR 72 Cb 0.08 -3.71 -0.07 0.00 0.49 0.00 0.00 39.34 36.13 2efi n TYR 72 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2efi s VAL 73 N -3.89 3.67 0.23 2.97 -7.23 -1.26 -4.91 120.40 109.98 2efi s VAL 73 Ca 0.07 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2efi s VAL 73 Cb -0.03 -2.91 0.30 0.00 0.56 0.00 0.00 36.38 34.30 2efi s VAL 73 CO 0.88 -0.25 1.13 -0.90 -0.31 0.00 0.00 175.10 175.65 2efi n ASP 74 N -0.57 -0.04 0.50 4.85 5.68 -1.26 0.31 116.55 126.01 2efi n ASP 74 Ca -0.08 1.22 -0.20 0.00 -0.50 0.00 0.00 54.79 55.22 2efi n ASP 74 Cb 0.57 -0.46 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 2efi n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2efi h THR 75 N 0.00 0.03 0.00 2.12 2.02 -2.00 -2.04 112.91 113.04 2efi h THR 75 Ca 0.46 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.63 2efi h THR 75 Cb 0.98 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2efi h THR 75 CO -0.66 0.00 -0.01 0.78 0.37 0.00 0.00 175.52 176.00 2efi h ASN 76 N -1.29 0.00 -0.45 4.18 2.35 -0.53 -1.93 115.58 117.92 2efi h ASN 76 Ca -0.13 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 2efi h ASN 76 Cb 1.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 2efi h ASN 76 CO 0.19 0.01 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.88 2efi h LEU 77 N 0.00 0.80 -1.06 1.61 3.38 0.26 -2.64 115.31 117.66 2efi h LEU 77 Ca -0.00 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2efi h LEU 77 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2efi h LEU 77 CO 0.00 0.93 0.72 0.06 0.09 0.00 0.00 178.44 180.25 2efi h GLN 78 N 0.65 0.00 0.00 1.13 3.07 -0.65 -1.54 115.11 117.77 2efi h GLN 78 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 2efi h GLN 78 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2efi h GLN 78 CO 0.03 0.00 -0.64 1.17 0.09 0.00 0.00 178.83 179.48 2efi n LYS 79 N -2.85 0.45 -0.27 0.06 4.81 -1.01 -3.16 118.16 116.20 2efi n LYS 79 Ca 0.03 0.41 0.24 0.00 -0.87 0.00 0.00 58.31 58.12 2efi n LYS 79 Cb 0.80 -1.56 0.43 0.00 0.02 0.00 0.00 35.03 34.71 2efi n LYS 79 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2efi n GLN 80 N -4.46 -0.03 -0.07 1.64 0.00 -0.61 0.62 117.38 114.47 2efi n GLN 80 Ca -0.09 0.87 -0.11 0.00 -0.00 0.00 0.00 57.00 57.67 2efi n GLN 80 Cb 0.33 -1.64 -0.08 0.00 0.00 0.00 0.00 30.24 28.85 2efi n GLN 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2efi h ARG 81 N 0.00 0.00 -1.23 3.69 0.11 -1.67 -3.00 114.38 112.28 2efi h ARG 81 Ca 0.58 0.00 0.38 0.00 0.10 0.00 0.00 59.98 61.04 2efi h ARG 81 Cb 1.72 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.68 2efi h ARG 81 CO -0.40 0.60 0.79 1.05 0.10 0.00 0.00 179.97 182.12 2efi h GLU 82 N -1.00 0.17 0.19 0.08 4.11 0.23 0.17 114.58 118.53 2efi h GLU 82 Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2efi h GLU 82 Cb 0.73 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2efi h GLU 82 CO -0.04 0.11 -0.09 -0.07 0.07 0.00 0.00 179.01 178.98 2efi h LEU 83 N 0.17 -0.22 -1.95 3.06 3.38 -1.11 0.13 115.31 118.77 2efi h LEU 83 Ca 0.75 -0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.99 2efi h LEU 83 Cb 2.25 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 43.02 2efi h LEU 83 CO -0.39 0.26 0.77 1.56 0.09 0.00 0.00 178.44 180.74 2efi h GLN 84 N -1.06 0.00 0.00 1.13 4.20 -1.07 0.77 115.11 119.08 2efi h GLN 84 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2efi h GLN 84 Cb 0.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2efi h GLN 84 CO 0.04 0.00 -1.51 0.36 -0.67 0.00 0.00 178.83 177.05 2efi n LYS 85 N -4.09 0.63 -0.06 1.46 2.85 0.47 -4.22 118.16 115.21 2efi n LYS 85 Ca 0.21 -0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.34 2efi n LYS 85 Cb 1.12 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 33.75 2efi n LYS 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2efi h ALA 86 N 1.90 0.23 -3.20 0.58 0.00 0.33 -3.39 119.26 115.71 2efi h ALA 86 Ca -0.04 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 2efi h ALA 86 Cb 1.12 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 2efi h ALA 86 CO 0.01 0.07 -0.69 -0.80 0.00 0.00 0.00 179.25 177.83 2efi s ASN 87 N -6.05 4.01 0.03 0.00 0.01 -0.64 -4.94 114.94 107.36 2efi s ASN 87 Ca -0.14 -2.74 -0.17 0.00 -0.71 0.00 0.00 52.86 49.10 2efi s ASN 87 Cb 0.06 -1.33 -0.31 0.00 0.41 0.00 0.00 41.25 40.07 2efi s ASN 87 CO 0.75 -0.26 1.04 1.56 -1.51 0.00 0.00 177.10 178.67 2efi h GLN 88 N 6.71 0.54 -0.04 -0.60 4.20 -1.77 -3.04 115.11 121.11 2efi h GLN 88 Ca -0.05 -0.79 0.03 0.00 0.06 0.00 0.00 58.65 57.91 2efi h GLN 88 Cb 0.92 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 2efi h GLN 88 CO 0.58 1.36 -0.17 0.93 -0.67 0.00 0.00 178.83 180.85 2efi h GLU 89 N 0.10 -0.26 0.16 1.46 4.39 -1.94 0.20 114.58 118.70 2efi h GLU 89 Ca -0.19 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2efi h GLU 89 Cb 1.91 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2efi h GLU 89 CO 0.23 -0.17 -0.14 1.96 -1.16 0.00 0.00 179.01 179.73 2efi h GLN 90 N -0.26 -0.31 -0.45 2.33 1.08 -1.99 0.17 115.11 115.68 2efi h GLN 90 Ca 0.07 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.35 2efi h GLN 90 Cb 0.36 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 2efi h GLN 90 CO -0.19 -0.21 0.12 -0.92 -0.95 0.00 0.00 178.83 176.69 2efi h TYR 91 N -0.32 0.21 0.18 2.96 5.03 -1.38 -2.66 116.97 121.00 2efi h TYR 91 Ca -0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 2efi h TYR 91 Cb 0.30 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2efi h TYR 91 CO -0.12 0.05 -0.09 0.00 -1.32 0.00 0.00 178.16 176.69 2efi h ALA 92 N 1.32 -0.24 -0.98 1.82 0.00 -0.36 -2.82 119.26 117.99 2efi h ALA 92 Ca 0.22 -0.10 0.35 0.00 0.00 0.00 0.00 54.91 55.37 2efi h ALA 92 Cb 0.25 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.96 2efi h ALA 92 CO -0.25 -0.58 0.41 1.49 0.00 0.00 0.00 179.25 180.32 2efi h GLU 93 N -0.36 0.09 0.48 0.00 4.81 -0.32 -0.12 114.58 119.16 2efi h GLU 93 Ca -0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2efi h GLU 93 Cb 0.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2efi h GLU 93 CO 0.04 0.06 -0.23 0.78 -0.73 0.00 0.00 179.01 178.93 2efi h GLY 94 N 0.10 -0.67 -1.81 1.92 0.00 -1.25 -3.45 103.07 97.90 2efi h GLY 94 Ca 0.74 0.25 -0.49 0.00 0.00 0.00 0.00 47.33 47.83 2efi h GLY 94 CO -0.75 -0.24 -1.24 0.28 0.00 0.00 0.00 176.54 174.58 2efi n LYS 95 N -5.26 -0.88 -4.37 4.80 5.02 -0.06 -5.03 118.16 112.38 2efi n LYS 95 Ca -0.11 -0.24 -0.19 0.00 -2.02 0.00 0.00 58.31 55.76 2efi n LYS 95 Cb 0.31 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 2efi n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2efi s MET 96 N -3.17 1.42 0.49 1.97 0.23 -1.26 -4.98 119.30 113.99 2efi s MET 96 Ca 0.52 -1.70 -0.08 0.00 -1.03 0.00 0.00 55.69 53.40 2efi s MET 96 Cb -0.12 -0.95 -0.05 0.00 -1.53 0.00 0.00 34.83 32.19 2efi s MET 96 CO 0.68 0.02 0.84 1.03 -2.03 0.00 0.00 175.02 175.56 2efi s ARG 97 N -3.76 3.63 0.00 3.16 0.52 -1.26 -4.71 118.95 116.53 2efi s ARG 97 Ca 0.27 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 2efi s ARG 97 Cb 0.04 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2efi s ARG 97 CO 0.09 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.59 2efi n GLY 98 N -2.09 0.61 3.46 -3.53 0.00 -1.26 -5.14 105.19 97.24 2efi n GLY 98 Ca 0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2efi n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2efi s ALA 99 N -1.25 0.67 -0.95 4.61 0.00 -1.26 -5.28 121.76 118.31 2efi s ALA 99 Ca 0.00 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.60 2efi s ALA 99 Cb 0.00 1.19 0.06 0.00 0.00 0.00 0.00 23.12 24.37 2efi s ALA 99 CO 0.00 -0.77 0.74 0.00 0.00 0.00 0.00 175.76 175.73