#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic n LYS 3 N 0.00 2.00 -1.13 0.54 5.02 -1.26 -4.87 118.16 118.45 3fic n LYS 3 Ca 0.00 0.61 -0.37 0.00 -2.02 0.00 0.00 58.31 56.52 3fic n LYS 3 Cb 0.00 -3.03 0.03 0.00 -0.02 0.00 0.00 35.03 32.01 3fic n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fic n LYS 4 N 8.29 0.03 -3.95 1.97 3.00 -1.26 -4.44 118.16 121.80 3fic n LYS 4 Ca 0.29 0.01 -0.15 0.00 -0.00 0.00 0.00 58.31 58.46 3fic n LYS 4 Cb 0.39 -1.11 -0.15 0.00 0.00 0.00 0.00 35.03 34.16 3fic n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3fic s VAL 5 N -2.00 0.17 0.18 3.15 1.01 -1.25 -1.76 120.40 119.89 3fic s VAL 5 Ca 0.51 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.59 3fic s VAL 5 Cb -0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3fic s VAL 5 CO 0.72 0.10 -0.19 -0.76 0.00 0.00 0.00 175.10 174.97 3fic s LEU 6 N 0.53 2.45 -0.08 3.92 1.43 0.25 -4.93 118.68 122.25 3fic s LEU 6 Ca -0.05 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.22 3fic s LEU 6 Cb -0.08 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 3fic s LEU 6 CO -0.01 -0.01 -0.22 -0.89 0.23 0.00 0.00 176.35 175.45 3fic s THR 7 N -2.04 2.26 0.08 5.49 2.01 -1.26 -0.83 115.64 121.36 3fic s THR 7 Ca 0.18 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 3fic s THR 7 Cb -0.06 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.66 3fic s THR 7 CO 0.08 0.56 0.81 0.61 -0.69 0.00 0.00 174.62 175.99 3fic n GLY 8 N 3.14 0.63 3.63 4.40 0.00 -1.12 -4.28 105.19 111.59 3fic n GLY 8 Ca -0.18 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3fic n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 9 N -2.15 3.69 -0.53 1.61 1.01 -0.15 -1.17 120.40 122.70 3fic s VAL 9 Ca 0.19 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 3fic s VAL 9 Cb -0.02 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3fic s VAL 9 CO 0.02 0.17 1.10 -0.69 0.00 0.00 0.00 175.10 175.70 3fic s VAL 10 N -1.21 4.19 -0.66 2.92 1.01 -0.70 -0.30 120.40 125.65 3fic s VAL 10 Ca 0.22 0.85 0.15 0.00 0.00 0.00 0.00 61.98 63.20 3fic s VAL 10 Cb -0.11 -4.63 0.49 0.00 0.00 0.00 0.00 36.38 32.13 3fic s VAL 10 CO 0.14 -1.15 1.41 1.33 0.00 0.00 0.00 175.10 176.83 3fic n VAL 11 N 6.60 1.72 -3.62 2.92 0.24 -0.36 0.17 118.33 126.00 3fic n VAL 11 Ca 0.08 -1.40 -0.08 0.00 -2.04 0.00 0.00 64.34 60.90 3fic n VAL 11 Cb 0.49 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.91 3fic n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fic s SER 12 N -1.35 -0.30 0.00 -1.34 0.15 -1.25 -4.96 113.70 104.66 3fic s SER 12 Ca 0.37 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3fic s SER 12 Cb 0.26 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 3fic s SER 12 CO 0.15 -0.18 0.00 -0.90 1.20 0.00 0.00 173.24 173.51 3fic n ASP 13 N 1.32 0.00 -2.26 5.45 5.75 -1.26 -2.50 116.55 123.05 3fic n ASP 13 Ca -0.10 -0.95 -0.06 0.00 -0.01 0.00 0.00 54.79 53.67 3fic n ASP 13 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 3fic n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fic n LYS 14 N 0.00 0.98 -3.83 0.11 5.02 -1.26 -4.69 118.16 114.49 3fic n LYS 14 Ca 0.00 -0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 55.70 3fic n LYS 14 Cb 0.24 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 3fic n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3fic s MET 15 N 2.04 1.01 -0.12 1.97 -1.94 -1.26 -5.13 119.30 115.86 3fic s MET 15 Ca 0.33 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 53.12 3fic s MET 15 Cb 0.16 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.35 3fic s MET 15 CO -0.00 -0.36 0.67 -0.65 -0.01 0.00 0.00 175.02 174.67 3fic s GLN 16 N -3.88 4.34 -1.50 2.03 -0.21 -1.26 -4.16 119.66 115.02 3fic s GLN 16 Ca 0.08 0.77 -0.14 0.00 0.02 0.00 0.00 55.36 56.09 3fic s GLN 16 Cb 0.03 -3.50 0.11 0.00 1.00 0.00 0.00 33.01 30.66 3fic s GLN 16 CO -0.08 -0.06 0.71 1.63 -2.12 0.00 0.00 175.29 175.38 3fic n LYS 17 N 4.30 -3.72 -3.70 2.91 5.02 -1.26 -4.93 118.16 116.78 3fic n LYS 17 Ca -0.01 0.45 -0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3fic n LYS 17 Cb 0.51 -5.21 -0.07 0.00 -0.02 0.00 0.00 35.03 30.24 3fic n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3fic s THR 18 N -3.14 0.07 0.06 -0.18 2.01 -1.26 -2.61 115.64 110.59 3fic s THR 18 Ca 0.60 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3fic s THR 18 Cb -0.32 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3fic s THR 18 CO 0.74 -0.30 -0.05 0.68 -0.69 0.00 0.00 174.62 175.00 3fic s VAL 19 N -2.55 0.41 -0.16 3.82 -7.23 -0.02 -4.57 120.40 110.11 3fic s VAL 19 Ca -0.05 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3fic s VAL 19 Cb -0.01 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 3fic s VAL 19 CO -0.03 -0.77 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.03 3fic s THR 20 N -3.00 3.54 -0.27 5.32 2.01 -1.04 -1.36 115.64 120.84 3fic s THR 20 Ca 0.02 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3fic s THR 20 Cb 0.01 -2.54 0.05 0.00 0.01 0.00 0.00 72.50 70.03 3fic s THR 20 CO -0.05 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.60 3fic s VAL 21 N 0.54 2.47 0.09 3.82 1.01 0.77 -1.23 120.40 127.87 3fic s VAL 21 Ca -0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 3fic s VAL 21 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3fic s VAL 21 CO 0.03 -0.01 1.00 -0.22 0.00 0.00 0.00 175.10 175.90 3fic s LEU 22 N 1.17 4.46 -0.13 3.92 2.96 0.59 -0.31 118.68 131.33 3fic s LEU 22 Ca -0.07 1.82 -0.00 0.00 -0.22 0.00 0.00 54.13 55.66 3fic s LEU 22 Cb -0.19 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.94 3fic s LEU 22 CO -0.04 -0.17 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.06 3fic s VAL 23 N 0.30 1.04 0.38 1.68 1.01 0.53 -0.98 120.40 124.36 3fic s VAL 23 Ca 0.49 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 3fic s VAL 23 Cb -0.24 -1.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 3fic s VAL 23 CO 0.30 0.31 0.81 -1.61 0.00 0.00 0.00 175.10 174.91 3fic s GLU 24 N 1.69 3.99 -0.26 2.72 2.02 -1.26 -0.34 118.70 127.26 3fic s GLU 24 Ca 0.04 0.74 -0.15 0.00 0.02 0.00 0.00 54.97 55.62 3fic s GLU 24 Cb -0.13 -2.35 0.07 0.00 0.10 0.00 0.00 34.13 31.83 3fic s GLU 24 CO -0.08 0.04 0.63 -0.98 0.02 0.00 0.00 175.26 174.89 3fic s ARG 25 N -3.31 0.65 0.37 1.61 1.70 -0.90 -4.92 118.95 114.15 3fic s ARG 25 Ca 0.55 1.13 0.08 0.00 -0.47 0.00 0.00 55.73 57.02 3fic s ARG 25 Cb -0.10 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.35 3fic s ARG 25 CO 0.21 -0.15 0.09 1.14 -1.08 0.00 0.00 175.30 175.51 3fic s GLN 26 N 1.53 2.16 -0.27 3.89 -2.07 -1.26 0.15 119.66 123.79 3fic s GLN 26 Ca -0.09 -1.78 -0.29 0.00 -1.82 0.00 0.00 55.36 51.38 3fic s GLN 26 Cb -0.06 -1.96 0.18 0.00 -1.09 0.00 0.00 33.01 30.08 3fic s GLN 26 CO -0.18 0.03 1.30 -0.59 -1.32 0.00 0.00 175.29 174.54 3fic s PHE 27 N -2.55 -0.11 0.27 9.60 -0.12 -0.71 -4.95 117.98 119.41 3fic s PHE 27 Ca 0.37 0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 57.15 3fic s PHE 27 Cb 0.02 0.48 -0.11 0.00 -0.63 0.00 0.00 43.02 42.78 3fic s PHE 27 CO 0.21 -0.09 1.51 -2.14 -0.05 0.00 0.00 175.22 174.66 3fic s PRO 28 N -0.84 4.20 0.06 1.99 0.02 -1.26 -1.42 135.00 137.74 3fic s PRO 28 Ca 0.07 2.42 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 3fic s PRO 28 Cb -0.02 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 3fic s PRO 28 CO -0.07 -0.52 1.53 -1.58 -0.33 0.00 0.00 177.00 176.03 3fic s HIS 29 N 0.01 2.71 -1.51 6.54 2.46 -0.89 -4.86 115.29 119.75 3fic s HIS 29 Ca 0.61 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.72 3fic s HIS 29 Cb -0.44 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 3fic s HIS 29 CO 0.45 -3.19 0.18 -0.35 -2.47 0.00 0.00 174.74 169.36 3fic n PRO 30 N 5.21 0.00 0.00 2.88 -0.04 -1.26 -2.08 135.00 139.71 3fic n PRO 30 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3fic n PRO 30 Cb 0.42 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 3fic n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3fic n LEU 31 N -0.62 0.00 -0.05 1.53 7.94 -1.26 -4.93 117.00 119.62 3fic n LEU 31 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3fic n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3fic n LEU 31 CO 0.00 0.00 0.26 -1.22 -1.11 0.00 0.00 177.39 175.32 3fic n TYR 32 N 0.00 0.00 0.00 1.96 0.53 -1.20 -5.05 117.16 113.40 3fic n TYR 32 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3fic n TYR 32 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3fic n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3fic n GLY 33 N 0.12 2.24 0.86 2.72 0.00 -0.88 -4.93 105.19 105.32 3fic n GLY 33 Ca 0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3fic n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fic n LYS 34 N 0.00 0.00 -2.45 1.61 4.81 -1.26 -2.26 118.16 118.61 3fic n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3fic n LYS 34 Cb 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 35.03 34.76 3fic n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fic s VAL 35 N -0.23 4.20 -0.13 3.15 1.01 -1.26 -2.09 120.40 125.04 3fic s VAL 35 Ca 0.17 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3fic s VAL 35 Cb -0.24 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3fic s VAL 35 CO 0.14 0.03 -0.18 0.27 0.00 0.00 0.00 175.10 175.36 3fic s ILE 36 N 1.96 2.54 0.13 2.22 -4.36 -0.51 -4.90 121.20 118.28 3fic s ILE 36 Ca 0.57 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.95 3fic s ILE 36 Cb -0.26 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.34 3fic s ILE 36 CO 0.24 0.53 0.59 -0.54 0.24 0.00 0.00 174.94 176.00 3fic s LYS 37 N 0.55 4.11 0.00 0.37 1.02 -1.26 -1.74 119.74 122.80 3fic s LYS 37 Ca -0.11 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.53 3fic s LYS 37 Cb -0.16 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3fic s LYS 37 CO 0.04 0.53 0.00 -2.13 -0.92 0.00 0.00 175.35 172.87 3fic n ARG 38 N 1.16 1.41 -3.57 1.68 3.00 0.40 -4.94 116.66 115.80 3fic n ARG 38 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.73 3fic n ARG 38 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.95 3fic n ARG 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3fic s SER 39 N -0.49 -0.22 -0.14 6.15 1.04 -1.26 -2.11 113.70 116.67 3fic s SER 39 Ca 0.00 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 3fic s SER 39 Cb 0.00 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.46 3fic s SER 39 CO 0.00 -0.45 0.67 -0.75 0.98 0.00 0.00 173.24 173.70 3fic s LYS 40 N -2.77 0.94 -0.10 4.02 2.20 0.53 -4.94 119.74 119.62 3fic s LYS 40 Ca 0.08 0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 56.17 3fic s LYS 40 Cb -0.01 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 3fic s LYS 40 CO -0.06 -0.23 0.15 0.15 -0.36 0.00 0.00 175.35 175.00 3fic s LYS 41 N -0.55 3.44 -0.02 4.03 1.02 -1.25 0.20 119.74 126.62 3fic s LYS 41 Ca -0.07 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 55.81 3fic s LYS 41 Cb -0.02 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3fic s LYS 41 CO 0.06 0.76 -0.15 0.71 -0.92 0.00 0.00 175.35 175.81 3fic s TYR 42 N -1.08 1.36 -0.82 3.18 1.51 0.57 -4.91 117.35 117.17 3fic s TYR 42 Ca 0.17 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.74 3fic s TYR 42 Cb -0.12 -0.89 0.11 0.00 -0.11 0.00 0.00 41.96 40.94 3fic s TYR 42 CO 0.06 -0.05 1.06 -0.51 -1.11 0.00 0.00 175.55 175.00 3fic s LEU 43 N -0.24 4.81 0.30 -1.29 1.43 -1.26 -0.16 118.68 122.26 3fic s LEU 43 Ca 0.04 -1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 51.28 3fic s LEU 43 Cb -0.07 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 3fic s LEU 43 CO -0.00 -1.21 0.85 0.00 0.23 0.00 0.00 176.35 176.23 3fic s ALA 44 N 3.21 3.27 -0.23 4.21 0.00 -0.46 -4.25 121.76 127.51 3fic s ALA 44 Ca 0.28 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 3fic s ALA 44 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 3fic s ALA 44 CO -0.02 0.23 0.50 -1.58 0.00 0.00 0.00 175.76 174.89 3fic s HIS 45 N -1.68 3.33 -0.60 0.00 2.46 -0.54 -0.84 115.29 117.42 3fic s HIS 45 Ca 0.49 0.69 0.04 0.00 0.47 0.00 0.00 55.06 56.76 3fic s HIS 45 Cb -0.16 -2.67 0.15 0.00 -0.13 0.00 0.00 32.58 29.77 3fic s HIS 45 CO 0.21 -0.16 0.39 0.34 -2.47 0.00 0.00 174.74 173.04 3fic s ASP 46 N 1.31 4.29 0.00 9.88 3.68 -1.07 -3.28 116.67 131.48 3fic s ASP 46 Ca 0.22 -3.42 0.06 0.00 2.13 0.00 0.00 52.55 51.54 3fic s ASP 46 Cb -0.15 -1.48 0.28 0.00 -1.45 0.00 0.00 42.92 40.11 3fic s ASP 46 CO 0.09 -0.15 1.04 -0.81 0.13 0.00 0.00 175.17 175.47 3fic n PRO 47 N 2.54 0.07 0.00 4.34 -0.04 -1.26 -1.95 135.00 138.70 3fic n PRO 47 Ca 0.15 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3fic n PRO 47 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3fic n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3fic n GLU 48 N -1.31 1.12 -4.13 0.54 1.02 -1.26 -4.99 120.64 111.63 3fic n GLU 48 Ca 0.03 -0.99 -0.28 0.00 -0.02 0.00 0.00 57.16 55.90 3fic n GLU 48 Cb 0.05 -0.95 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 3fic n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fic n GLU 49 N -0.25 -0.94 0.00 3.49 1.02 -0.82 -4.81 120.64 118.33 3fic n GLU 49 Ca 0.00 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.31 3fic n GLU 49 Cb 0.16 -3.25 -0.06 0.00 -0.02 0.00 0.00 31.44 28.28 3fic n GLU 49 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3fic n LYS 50 N -4.18 1.36 -3.67 3.49 2.85 -1.26 -4.88 118.16 111.87 3fic n LYS 50 Ca -0.27 -0.40 -0.37 0.00 -1.05 0.00 0.00 58.31 56.21 3fic n LYS 50 Cb 0.61 -1.34 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 3fic n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3fic s TYR 51 N -2.41 3.26 0.41 5.58 1.51 -1.26 -5.08 117.35 119.36 3fic s TYR 51 Ca 0.11 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 3fic s TYR 51 Cb 0.14 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 3fic s TYR 51 CO 0.60 -0.03 0.46 -1.59 -1.11 0.00 0.00 175.55 173.88 3fic s LYS 52 N 1.28 2.71 0.25 -0.62 0.00 -1.26 -5.03 119.74 117.06 3fic s LYS 52 Ca 0.07 -1.36 -0.30 0.00 0.00 0.00 0.00 55.97 54.37 3fic s LYS 52 Cb -0.14 -2.57 -0.14 0.00 0.00 0.00 0.00 37.83 34.97 3fic s LYS 52 CO 0.06 -0.19 1.22 -0.11 0.00 0.00 0.00 175.35 176.33 3fic n LEU 53 N -1.67 2.39 -0.18 2.77 7.94 -1.26 -3.34 117.00 123.65 3fic n LEU 53 Ca 0.05 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3fic n LEU 53 Cb 0.60 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.21 3fic n LEU 53 CO 0.41 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 3fic n GLY 54 N 1.67 0.61 3.49 -3.96 0.00 0.12 -4.81 105.19 102.32 3fic n GLY 54 Ca 0.11 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3fic n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fic s ASP 55 N -2.97 4.31 -0.20 1.61 1.01 -1.21 -2.70 116.67 116.52 3fic s ASP 55 Ca 0.00 -0.16 -0.25 0.00 0.71 0.00 0.00 52.55 52.85 3fic s ASP 55 Cb 0.00 -1.20 -0.01 0.00 1.01 0.00 0.00 42.92 42.72 3fic s ASP 55 CO 0.00 0.30 0.83 -0.69 0.21 0.00 0.00 175.17 175.82 3fic s VAL 56 N -0.43 4.87 0.33 -1.27 1.01 -0.86 -1.71 120.40 122.33 3fic s VAL 56 Ca 0.06 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.67 3fic s VAL 56 Cb -0.12 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3fic s VAL 56 CO 0.02 -0.01 0.11 0.68 0.00 0.00 0.00 175.10 175.90 3fic s VAL 57 N 2.40 0.69 -0.08 2.92 -7.23 -0.32 -1.10 120.40 117.67 3fic s VAL 57 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3fic s VAL 57 Cb -0.16 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3fic s VAL 57 CO 0.10 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.19 3fic s GLU 58 N -3.85 2.84 -0.10 4.82 2.02 -0.60 -2.78 118.70 121.06 3fic s GLU 58 Ca 0.33 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.77 3fic s GLU 58 Cb 0.06 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 3fic s GLU 58 CO 0.15 0.57 -0.23 0.42 0.02 0.00 0.00 175.26 176.20 3fic s ILE 59 N -0.57 2.17 -0.06 -1.63 -1.09 -0.01 -0.31 121.20 119.70 3fic s ILE 59 Ca 0.08 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 3fic s ILE 59 Cb -0.12 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3fic s ILE 59 CO 0.02 0.56 -0.15 -0.51 -1.23 0.00 0.00 174.94 173.62 3fic s ILE 60 N 0.25 2.95 0.32 2.92 2.07 -0.68 -0.58 121.20 128.45 3fic s ILE 60 Ca -0.15 -0.75 -0.28 0.00 -1.41 0.00 0.00 60.65 58.06 3fic s ILE 60 Cb -0.17 -2.16 -0.13 0.00 0.13 0.00 0.00 42.46 40.13 3fic s ILE 60 CO 0.08 0.58 1.18 1.21 -1.91 0.00 0.00 174.94 176.07 3fic n GLU 61 N 2.59 1.82 -3.75 3.50 2.13 -0.72 -2.12 120.64 124.08 3fic n GLU 61 Ca -0.17 0.64 -0.10 0.00 0.66 0.00 0.00 57.16 58.18 3fic n GLU 61 Cb 0.52 -2.13 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 3fic n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3fic s SER 62 N -0.40 -0.07 0.29 4.31 0.01 -1.18 -4.80 113.70 111.86 3fic s SER 62 Ca 0.57 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 3fic s SER 62 Cb -0.62 0.39 -0.12 0.00 0.21 0.00 0.00 66.02 65.88 3fic s SER 62 CO 0.61 -0.75 1.51 -1.14 0.41 0.00 0.00 173.24 173.88 3fic n ARG 63 N 0.02 2.47 -1.49 12.44 0.00 -1.26 -4.48 116.66 124.35 3fic n ARG 63 Ca -0.16 0.88 -0.56 0.00 -0.00 0.00 0.00 57.85 58.00 3fic n ARG 63 Cb 0.62 -2.60 -0.07 0.00 0.00 0.00 0.00 32.46 30.41 3fic n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3fic n PRO 64 N 1.80 0.10 -0.09 -0.14 -0.02 -1.26 -4.79 135.00 130.61 3fic n PRO 64 Ca 0.08 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3fic n PRO 64 Cb 0.35 -1.45 -0.09 0.00 -0.02 0.00 0.00 33.50 32.29 3fic n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3fic n ILE 65 N 1.28 1.04 -3.30 4.25 -0.00 -0.37 -5.03 119.36 117.24 3fic n ILE 65 Ca 0.19 -0.43 -0.01 0.00 -0.00 0.00 0.00 62.75 62.50 3fic n ILE 65 Cb 0.12 -1.07 0.00 0.00 -0.00 0.00 0.00 39.64 38.69 3fic n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3fic n SER 66 N -2.96 -0.12 -4.14 4.38 3.41 -1.14 -5.04 113.62 108.01 3fic n SER 66 Ca -0.31 -1.11 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 3fic n SER 66 Cb 0.86 0.21 0.21 0.00 -0.26 0.00 0.00 64.21 65.23 3fic n SER 66 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3fic s LYS 67 N -2.03 -0.34 0.00 4.33 2.20 -1.26 -3.06 119.74 119.59 3fic s LYS 67 Ca 0.01 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 3fic s LYS 67 Cb -0.00 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 3fic s LYS 67 CO 0.01 -3.14 0.00 -2.13 -0.36 0.00 0.00 175.35 169.73 3fic n ARG 68 N -4.37 0.00 -3.94 4.03 3.00 -1.26 -4.72 116.66 109.40 3fic n ARG 68 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.66 3fic n ARG 68 Cb 0.59 -0.97 -0.15 0.00 0.00 0.00 0.00 32.46 31.93 3fic n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3fic s LYS 69 N 0.00 1.43 -0.33 -0.14 2.20 -1.17 -4.36 119.74 117.36 3fic s LYS 69 Ca 0.00 -1.89 0.13 0.00 -0.36 0.00 0.00 55.97 53.85 3fic s LYS 69 Cb 0.00 -2.96 0.46 0.00 -1.51 0.00 0.00 37.83 33.82 3fic s LYS 69 CO 0.00 -0.99 1.08 0.54 -0.36 0.00 0.00 175.35 175.62 3fic n ARG 70 N 4.10 2.47 -3.51 4.03 3.00 -1.26 -1.24 116.66 124.25 3fic n ARG 70 Ca 0.03 -3.87 -0.17 0.00 -0.01 0.00 0.00 57.85 53.84 3fic n ARG 70 Cb 0.40 -1.84 -0.05 0.00 0.00 0.00 0.00 32.46 30.97 3fic n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3fic s PHE 71 N -3.50 -0.62 0.21 -1.55 0.08 -1.26 -3.07 117.98 108.28 3fic s PHE 71 Ca 0.38 0.92 0.11 0.00 0.12 0.00 0.00 56.93 58.47 3fic s PHE 71 Cb 0.40 0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 43.24 3fic s PHE 71 CO -0.04 -0.66 -0.22 1.03 -0.10 0.00 0.00 175.22 175.23 3fic s ARG 72 N -1.77 1.52 -1.28 0.44 0.52 -0.90 -1.47 118.95 116.02 3fic s ARG 72 Ca -0.08 -1.58 -0.14 0.00 -0.52 0.00 0.00 55.73 53.40 3fic s ARG 72 Cb -0.00 -1.72 0.13 0.00 0.52 0.00 0.00 34.95 33.87 3fic s ARG 72 CO 0.05 0.35 1.68 0.28 0.02 0.00 0.00 175.30 177.68 3fic n VAL 73 N 0.00 4.09 0.00 3.52 0.31 -1.20 -1.68 118.33 123.37 3fic n VAL 73 Ca -0.10 -4.31 0.00 0.00 -0.01 0.00 0.00 64.34 59.91 3fic n VAL 73 Cb 0.57 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 3fic n VAL 73 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3fic n LEU 74 N 6.25 0.00 0.00 7.52 -0.00 0.58 -4.80 117.00 126.55 3fic n LEU 74 Ca 0.43 0.41 -0.06 0.00 -0.00 0.00 0.00 56.01 56.79 3fic n LEU 74 Cb 0.42 -0.17 -0.01 0.00 -0.00 0.00 0.00 43.42 43.67 3fic n LEU 74 CO 0.73 -0.17 0.07 -2.11 -0.00 0.00 0.00 177.39 175.92 3fic n ARG 75 N -1.92 0.29 -2.80 1.96 1.85 -1.24 -5.00 116.66 109.81 3fic n ARG 75 Ca 0.00 -1.12 -0.22 0.00 -1.00 0.00 0.00 57.85 55.51 3fic n ARG 75 Cb 0.00 1.09 0.02 0.00 -1.05 0.00 0.00 32.46 32.52 3fic n ARG 75 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3fic s LEU 76 N 0.00 3.45 0.04 2.89 2.96 -1.26 -1.55 118.68 125.21 3fic s LEU 76 Ca 0.11 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3fic s LEU 76 Cb -0.00 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.64 3fic s LEU 76 CO 0.08 -0.93 0.00 0.52 -1.32 0.00 0.00 176.35 174.71 3fic n VAL 77 N -2.23 0.15 -3.70 1.68 0.31 -0.26 -4.75 118.33 109.53 3fic n VAL 77 Ca 0.04 0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3fic n VAL 77 Cb 0.59 -0.68 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3fic n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3fic s GLU 78 N -1.21 1.01 0.00 5.55 -1.05 -1.09 -4.99 118.70 116.92 3fic s GLU 78 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3fic s GLU 78 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3fic s GLU 78 CO 0.00 -0.38 0.00 0.45 0.95 0.00 0.00 175.26 176.28 3fic n SER 79 N -0.18 0.00 0.00 0.83 2.88 -1.26 -2.04 113.62 113.85 3fic n SER 79 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3fic n SER 79 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 3fic n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fic n GLY 80 N 5.00 0.00 2.72 0.46 0.00 -1.26 -4.69 105.19 107.42 3fic n GLY 80 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3fic n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fic n ARG 81 N 0.00 1.39 -0.00 1.61 1.74 -1.10 -4.93 116.66 115.36 3fic n ARG 81 Ca 0.00 -2.23 0.23 0.00 -0.77 0.00 0.00 57.85 55.08 3fic n ARG 81 Cb 0.00 -0.44 0.72 0.00 -1.02 0.00 0.00 32.46 31.72 3fic n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3fic h MET 82 N 1.93 0.00 -0.46 5.56 2.86 -1.89 -2.60 114.93 120.34 3fic h MET 82 Ca -0.28 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 3fic h MET 82 Cb 1.27 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.86 3fic h MET 82 CO 0.03 0.00 -0.50 0.38 1.06 0.00 0.00 176.91 177.88 3fic h ASP 83 N 0.00 -1.71 -0.74 1.22 2.03 -1.96 1.57 116.42 116.83 3fic h ASP 83 Ca 0.28 0.23 0.15 0.00 -0.73 0.00 0.00 57.03 56.96 3fic h ASP 83 Cb 1.37 0.71 -0.10 0.00 -0.83 0.00 0.00 39.33 40.48 3fic h ASP 83 CO -0.00 -0.33 0.23 -0.07 -1.03 0.00 0.00 179.24 178.04 3fic h LEU 84 N -0.29 0.12 -0.32 0.15 3.38 -1.89 0.53 115.31 117.00 3fic h LEU 84 Ca 0.08 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3fic h LEU 84 Cb 0.50 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3fic h LEU 84 CO -0.59 0.01 0.14 0.58 0.09 0.00 0.00 178.44 178.68 3fic h VAL 85 N 0.33 0.96 -0.51 1.22 2.07 -0.33 -1.11 116.25 118.88 3fic h VAL 85 Ca 0.42 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.90 3fic h VAL 85 Cb 0.69 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3fic h VAL 85 CO -0.47 0.06 -0.52 -0.33 0.02 0.00 0.00 177.57 176.32 3fic h GLU 86 N 0.30 -0.30 -0.67 1.57 4.39 0.71 0.41 114.58 120.99 3fic h GLU 86 Ca 0.14 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.95 3fic h GLU 86 Cb 0.07 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.68 3fic h GLU 86 CO -0.11 -0.20 -0.47 0.87 -1.16 0.00 0.00 179.01 177.94 3fic h LYS 87 N -0.31 -0.18 -0.78 2.33 1.79 -0.37 0.30 116.57 119.34 3fic h LYS 87 Ca 0.11 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.74 3fic h LYS 87 Cb 0.57 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.17 3fic h LYS 87 CO -0.65 -0.12 0.33 -0.92 -1.08 0.00 0.00 179.45 177.00 3fic h TYR 88 N -0.19 0.56 0.20 -1.35 3.20 0.58 -0.82 116.97 119.14 3fic h TYR 88 Ca 0.18 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3fic h TYR 88 Cb 0.55 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3fic h TYR 88 CO -0.78 0.07 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.65 3fic h LEU 89 N 0.47 -0.23 -0.36 2.82 3.38 0.32 -1.77 115.31 119.93 3fic h LEU 89 Ca 0.43 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3fic h LEU 89 Cb 0.66 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3fic h LEU 89 CO -0.41 0.29 0.06 0.40 0.09 0.00 0.00 178.44 178.88 3fic h ILE 90 N -0.87 0.81 -0.78 1.22 1.08 -0.94 1.63 117.51 119.66 3fic h ILE 90 Ca -0.03 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.51 3fic h ILE 90 Cb 0.51 0.61 -0.14 0.00 -3.07 0.00 0.00 36.82 34.73 3fic h ILE 90 CO 0.04 0.03 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.09 3fic h ARG 91 N 0.18 -0.08 0.96 2.37 2.43 -1.20 0.45 114.38 119.49 3fic h ARG 91 Ca 0.17 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3fic h ARG 91 Cb 0.21 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3fic h ARG 91 CO -0.24 -0.05 -0.46 -0.09 -1.51 0.00 0.00 179.97 177.62 3fic h ARG 92 N -0.08 -1.24 -1.39 0.20 2.43 0.40 -2.70 114.38 111.99 3fic h ARG 92 Ca 0.29 0.08 0.46 0.00 -0.81 0.00 0.00 59.98 60.01 3fic h ARG 92 Cb 0.57 0.28 -0.12 0.00 -0.42 0.00 0.00 29.97 30.29 3fic h ARG 92 CO -0.83 -0.83 0.92 0.94 -1.51 0.00 0.00 179.97 178.67 3fic n GLN 93 N -5.64 -0.03 0.20 0.20 7.27 0.52 0.01 117.38 119.92 3fic n GLN 93 Ca -0.16 1.15 -0.15 0.00 0.07 0.00 0.00 57.00 57.90 3fic n GLN 93 Cb 0.51 -2.32 -0.08 0.00 2.41 0.00 0.00 30.24 30.76 3fic n GLN 93 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 3fic h ASN 94 N 0.00 -1.06 0.00 1.69 4.21 0.09 -3.25 115.58 117.26 3fic h ASN 94 Ca 0.84 0.10 0.00 0.00 1.21 0.00 0.00 56.30 58.45 3fic h ASN 94 Cb 2.82 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 40.39 3fic h ASN 94 CO -0.36 -0.51 0.00 -1.22 -1.29 0.00 0.00 177.43 174.05 3fic n TYR 95 N -5.47 0.00 -0.28 1.19 4.01 0.10 -0.12 117.16 116.58 3fic n TYR 95 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3fic n TYR 95 Cb 0.38 -0.26 0.09 0.00 -0.31 0.00 0.00 39.34 39.24 3fic n TYR 95 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3fic n GLU 96 N -2.42 -0.09 0.00 -0.72 2.13 -1.23 0.91 120.64 119.21 3fic n GLU 96 Ca 0.00 1.21 0.07 0.00 0.66 0.00 0.00 57.16 59.10 3fic n GLU 96 Cb 0.00 -1.81 0.41 0.00 0.27 0.00 0.00 31.44 30.31 3fic n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fic n SER 97 N -5.25 0.00 -0.00 4.31 3.41 0.83 -2.66 113.62 114.26 3fic n SER 97 Ca 0.12 -0.55 0.10 0.00 -0.26 0.00 0.00 58.87 58.28 3fic n SER 97 Cb 0.37 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3fic n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fic n LEU 98 N -0.94 0.93 0.00 1.04 4.77 0.26 -4.90 117.00 118.16 3fic n LEU 98 Ca 0.10 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3fic n LEU 98 Cb 0.05 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3fic n LEU 98 CO 0.08 0.23 0.00 -1.54 -1.33 0.00 0.00 177.39 174.83 3fic n SER 99 N -1.53 0.00 -3.19 -1.43 3.41 -1.09 -4.99 113.62 104.81 3fic n SER 99 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.44 3fic n SER 99 Cb 0.34 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 3fic n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fic n LYS 100 N 0.00 0.85 0.00 4.33 4.76 -1.26 -5.17 118.16 121.68 3fic n LYS 100 Ca 0.00 -3.30 0.00 0.00 -2.87 0.00 0.00 58.31 52.14 3fic n LYS 100 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3fic n LYS 100 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90