#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa8 s ARG 2 N 0.00 1.22 -0.31 0.03 1.70 -1.26 -5.11 118.95 115.21 1fa8 s ARG 2 Ca 0.00 -0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 54.35 1fa8 s ARG 2 Cb 0.00 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1fa8 s ARG 2 CO 0.00 -0.51 1.02 -1.17 -1.08 0.00 0.00 175.30 173.56 1fa8 s LEU 3 N -2.79 3.97 -0.14 -1.89 0.20 -1.26 -4.95 118.68 111.82 1fa8 s LEU 3 Ca 0.03 1.00 -0.10 0.00 0.69 0.00 0.00 54.13 55.74 1fa8 s LEU 3 Cb 0.00 -3.46 -0.07 0.00 -0.43 0.00 0.00 46.19 42.23 1fa8 s LEU 3 CO -0.11 -0.82 0.06 -0.07 -0.29 0.00 0.00 176.35 175.12 1fa8 h LEU 4 N 9.95 0.00 -7.73 -0.68 3.38 -1.94 -3.30 115.31 114.98 1fa8 h LEU 4 Ca -0.21 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1fa8 h LEU 4 Cb 1.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 1fa8 h LEU 4 CO 1.00 0.81 0.36 -1.38 0.09 0.00 0.00 178.44 179.33 1fa8 s HIS 5 N -2.03 -0.19 -0.16 1.13 -3.43 -1.26 -0.67 115.29 108.68 1fa8 s HIS 5 Ca -0.13 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 1fa8 s HIS 5 Cb 0.01 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 1fa8 s HIS 5 CO 0.26 -0.99 -0.16 0.99 -2.00 0.00 0.00 174.74 172.85 1fa8 s THR 6 N -3.57 2.59 -0.19 -5.38 2.01 -0.96 -4.94 115.64 105.20 1fa8 s THR 6 Ca 0.11 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1fa8 s THR 6 Cb -0.03 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1fa8 s THR 6 CO 0.03 0.52 0.16 -0.32 -0.69 0.00 0.00 174.62 174.31 1fa8 s MET 7 N 0.88 4.20 -0.02 4.92 0.00 -1.26 -0.78 119.30 127.25 1fa8 s MET 7 Ca -0.04 -0.17 0.06 0.00 0.00 0.00 0.00 55.69 55.54 1fa8 s MET 7 Cb -0.15 -3.42 -0.01 0.00 0.00 0.00 0.00 34.83 31.24 1fa8 s MET 7 CO -0.01 0.28 -0.20 -0.51 0.00 0.00 0.00 175.02 174.58 1fa8 s LEU 8 N 0.40 2.02 0.02 4.11 1.43 -0.22 -4.97 118.68 121.48 1fa8 s LEU 8 Ca 0.09 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1fa8 s LEU 8 Cb -0.11 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1fa8 s LEU 8 CO -0.01 0.23 0.56 -0.13 0.23 0.00 0.00 176.35 177.23 1fa8 s ARG 9 N -0.37 4.22 0.15 1.70 0.52 -1.26 -1.33 118.95 122.59 1fa8 s ARG 9 Ca 0.05 0.68 0.08 0.00 -0.52 0.00 0.00 55.73 56.03 1fa8 s ARG 9 Cb -0.09 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1fa8 s ARG 9 CO -0.00 0.51 -0.18 0.14 0.02 0.00 0.00 175.30 175.79 1fa8 s VAL 10 N -0.65 1.77 -0.74 3.52 -7.23 0.71 -4.88 120.40 112.90 1fa8 s VAL 10 Ca 0.29 -1.85 0.25 0.00 -1.81 0.00 0.00 61.98 58.86 1fa8 s VAL 10 Cb -0.18 -1.78 0.13 0.00 0.56 0.00 0.00 36.38 35.10 1fa8 s VAL 10 CO 0.17 -0.28 1.52 0.61 -0.31 0.00 0.00 175.10 176.80 1fa8 n GLY 11 N 0.42 -1.49 2.96 2.32 0.00 -1.26 -4.44 105.19 103.70 1fa8 n GLY 11 Ca -0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1fa8 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fa8 s ASP 12 N -4.07 -0.02 0.10 1.61 -1.08 -1.26 -4.36 116.67 107.59 1fa8 s ASP 12 Ca 0.09 0.04 -0.33 0.00 -0.52 0.00 0.00 52.55 51.83 1fa8 s ASP 12 Cb 0.14 1.30 -0.13 0.00 -1.46 0.00 0.00 42.92 42.77 1fa8 s ASP 12 CO 0.67 -0.32 1.58 0.25 0.52 0.00 0.00 175.17 177.87 1fa8 h LEU 13 N 8.14 -1.31 -0.71 -1.34 5.85 -1.94 -1.38 115.31 122.62 1fa8 h LEU 13 Ca -0.14 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1fa8 h LEU 13 Cb 1.14 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 1fa8 h LEU 13 CO 0.26 -0.54 0.45 -0.61 -0.34 0.00 0.00 178.44 177.66 1fa8 h GLN 14 N -0.75 0.87 -0.94 1.25 5.75 -1.98 0.22 115.11 119.52 1fa8 h GLN 14 Ca -0.00 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1fa8 h GLN 14 Cb 0.74 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.02 1fa8 h GLN 14 CO -0.20 0.57 0.60 -0.09 -2.65 0.00 0.00 178.83 177.06 1fa8 h ARG 15 N 0.89 1.05 -0.16 1.69 2.43 -1.94 0.28 114.38 118.62 1fa8 h ARG 15 Ca 0.28 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1fa8 h ARG 15 Cb -0.01 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1fa8 h ARG 15 CO -0.10 0.69 -0.09 0.77 -1.51 0.00 0.00 179.97 179.74 1fa8 h SER 16 N 1.08 0.35 -0.40 -3.80 0.02 -0.14 -2.24 113.55 108.42 1fa8 h SER 16 Ca 0.41 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1fa8 h SER 16 Cb 0.19 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1fa8 h SER 16 CO -0.18 0.70 0.08 0.40 -1.14 0.00 0.00 176.83 176.69 1fa8 h ILE 17 N 0.00 0.79 -0.60 3.27 2.04 0.01 -1.28 117.51 121.73 1fa8 h ILE 17 Ca 0.03 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1fa8 h ILE 17 Cb 0.58 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1fa8 h ILE 17 CO 0.03 0.04 0.27 0.44 0.00 0.00 0.00 178.15 178.92 1fa8 h ASP 18 N 0.20 0.33 0.48 1.72 3.32 -0.40 -1.09 116.42 120.99 1fa8 h ASP 18 Ca 0.19 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1fa8 h ASP 18 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1fa8 h ASP 18 CO -0.26 0.21 -0.23 0.15 -1.72 0.00 0.00 179.24 177.39 1fa8 h PHE 19 N 0.49 -0.60 -0.53 4.55 3.57 -0.70 0.07 116.94 123.79 1fa8 h PHE 19 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1fa8 h PHE 19 Cb 0.28 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1fa8 h PHE 19 CO -0.13 -0.33 0.25 1.88 -2.23 0.00 0.00 178.31 177.75 1fa8 h TYR 20 N -0.72 0.73 0.00 0.41 -1.99 -1.10 -1.30 116.97 112.99 1fa8 h TYR 20 Ca -0.07 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1fa8 h TYR 20 Cb 0.53 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1fa8 h TYR 20 CO -0.03 0.54 -0.08 1.79 -0.00 0.00 0.00 178.16 180.39 1fa8 h THR 21 N 0.75 0.00 -0.48 -2.88 1.35 -1.18 0.12 112.91 110.58 1fa8 h THR 21 Ca 0.19 -0.41 -0.08 0.00 -0.55 0.00 0.00 66.41 65.55 1fa8 h THR 21 Cb 0.08 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.48 1fa8 h THR 21 CO -0.02 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.33 1fa8 h LYS 22 N -0.41 0.81 0.08 4.72 1.57 -1.10 -0.45 116.57 121.78 1fa8 h LYS 22 Ca 0.00 -0.23 -0.32 0.00 -1.87 0.00 0.00 60.65 58.23 1fa8 h LYS 22 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1fa8 h LYS 22 CO 0.00 0.83 -1.75 0.28 -0.57 0.00 0.00 179.45 178.24 1fa8 n VAL 23 N -4.20 1.69 1.11 0.50 0.31 -0.70 -4.46 118.33 112.57 1fa8 n VAL 23 Ca 0.02 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1fa8 n VAL 23 Cb 0.32 -1.85 0.23 0.00 -0.91 0.00 0.00 33.84 31.63 1fa8 n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1fa8 n LEU 24 N -3.84 1.03 0.00 7.52 4.77 -0.57 -4.87 117.00 121.04 1fa8 n LEU 24 Ca -0.33 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1fa8 n LEU 24 Cb 0.91 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1fa8 n LEU 24 CO 0.33 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1fa8 n GLY 25 N 1.41 0.50 3.91 -0.72 0.00 -0.19 -4.94 105.19 105.16 1fa8 n GLY 25 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1fa8 n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fa8 s MET 26 N -0.52 1.66 0.12 1.61 -1.94 0.39 -4.91 119.30 115.71 1fa8 s MET 26 Ca 0.00 -0.07 0.10 0.00 -1.71 0.00 0.00 55.69 54.01 1fa8 s MET 26 Cb 0.00 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1fa8 s MET 26 CO 0.00 -1.76 -0.22 0.15 -0.01 0.00 0.00 175.02 173.18 1fa8 s LYS 27 N -5.62 1.62 -0.47 2.03 1.02 0.17 -4.15 119.74 114.35 1fa8 s LYS 27 Ca 0.65 -1.25 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 1fa8 s LYS 27 Cb -0.09 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1fa8 s LYS 27 CO 0.49 0.47 1.08 -1.17 -0.92 0.00 0.00 175.35 175.30 1fa8 s LEU 28 N -2.12 3.74 0.01 3.17 2.96 -1.26 -2.30 118.68 122.87 1fa8 s LEU 28 Ca 0.16 0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1fa8 s LEU 28 Cb -0.10 -3.45 -0.28 0.00 0.50 0.00 0.00 46.19 42.85 1fa8 s LEU 28 CO 0.08 -1.19 0.88 -0.07 -1.32 0.00 0.00 176.35 174.73 1fa8 h LEU 29 N 11.02 0.44 0.00 -0.68 3.38 -1.21 -3.49 115.31 124.76 1fa8 h LEU 29 Ca -0.23 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1fa8 h LEU 29 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1fa8 h LEU 29 CO 1.10 1.48 0.00 -2.11 0.09 0.00 0.00 178.44 179.00 1fa8 n ARG 30 N -3.49 0.00 -4.17 1.13 1.85 -1.19 -5.00 116.66 105.79 1fa8 n ARG 30 Ca -0.16 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.58 1fa8 n ARG 30 Cb 1.05 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.36 1fa8 n ARG 30 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1fa8 s THR 31 N -2.00 0.21 0.09 8.89 -4.23 -1.26 -0.91 115.64 116.43 1fa8 s THR 31 Ca 0.00 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.33 1fa8 s THR 31 Cb 0.00 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.84 1fa8 s THR 31 CO 0.00 -0.45 0.65 -0.94 -0.54 0.00 0.00 174.62 173.34 1fa8 s SER 32 N -3.08 -0.57 0.08 3.99 1.04 -0.48 -4.99 113.70 109.69 1fa8 s SER 32 Ca 0.25 0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1fa8 s SER 32 Cb 0.07 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 1fa8 s SER 32 CO 0.03 -0.85 -0.18 -1.61 0.98 0.00 0.00 173.24 171.61 1fa8 s GLU 33 N -3.08 1.04 -0.40 4.02 0.41 -1.26 -0.25 118.70 119.17 1fa8 s GLU 33 Ca -0.01 -1.01 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 1fa8 s GLU 33 Cb -0.01 -1.17 0.13 0.00 -1.78 0.00 0.00 34.13 31.31 1fa8 s GLU 33 CO -0.07 0.27 0.21 1.21 -0.49 0.00 0.00 175.26 176.40 1fa8 s ASN 34 N -1.64 3.51 0.27 -0.19 3.84 0.51 -4.97 114.94 116.26 1fa8 s ASN 34 Ca 0.03 -2.39 -0.04 0.00 0.21 0.00 0.00 52.86 50.67 1fa8 s ASN 34 Cb -0.10 -0.84 0.34 0.00 -0.55 0.00 0.00 41.25 40.10 1fa8 s ASN 34 CO 0.03 -0.30 1.92 -0.65 -2.79 0.00 0.00 177.10 175.31 1fa8 h PRO 35 N 6.97 1.18 -0.28 0.43 0.11 -1.97 0.25 132.00 138.69 1fa8 h PRO 35 Ca -0.01 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 66.04 1fa8 h PRO 35 Cb 0.95 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1fa8 h PRO 35 CO 0.42 0.81 0.07 1.49 -0.21 0.00 0.00 178.00 180.58 1fa8 h GLU 36 N 1.20 0.17 -0.07 1.05 4.81 -1.95 -3.01 114.58 116.78 1fa8 h GLU 36 Ca 0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1fa8 h GLU 36 Cb -0.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1fa8 h GLU 36 CO -0.06 0.11 0.00 0.66 -0.73 0.00 0.00 179.01 178.99 1fa8 n TYR 37 N -5.07 0.06 -3.21 0.92 4.02 -1.13 -5.01 117.16 107.73 1fa8 n TYR 37 Ca -0.01 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.90 57.72 1fa8 n TYR 37 Cb 0.12 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.50 1fa8 n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fa8 n LYS 38 N 1.27 -2.13 -3.64 -0.72 5.02 0.84 -4.91 118.16 113.90 1fa8 n LYS 38 Ca 0.15 0.92 -0.11 0.00 -2.02 0.00 0.00 58.31 57.25 1fa8 n LYS 38 Cb 0.58 -5.78 -0.05 0.00 -0.02 0.00 0.00 35.03 29.76 1fa8 n LYS 38 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fa8 s TYR 39 N -3.35 -0.24 -0.01 2.13 -0.85 -0.95 -1.09 117.35 112.98 1fa8 s TYR 39 Ca 0.41 0.05 0.04 0.00 -0.52 0.00 0.00 57.07 57.05 1fa8 s TYR 39 Cb -0.05 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.53 1fa8 s TYR 39 CO 0.73 -0.66 -0.14 -1.12 -1.52 0.00 0.00 175.55 172.85 1fa8 s SER 40 N -2.48 1.63 0.12 -0.18 0.01 0.96 -0.36 113.70 113.39 1fa8 s SER 40 Ca -0.00 -0.25 0.10 0.00 1.31 0.00 0.00 55.95 57.10 1fa8 s SER 40 Cb 0.01 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1fa8 s SER 40 CO -0.08 0.17 -0.23 -0.76 0.41 0.00 0.00 173.24 172.75 1fa8 s LEU 41 N -0.32 2.47 -0.06 2.44 1.43 0.65 -0.76 118.68 124.52 1fa8 s LEU 41 Ca 0.05 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1fa8 s LEU 41 Cb -0.05 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.84 1fa8 s LEU 41 CO -0.01 0.19 0.15 0.00 0.23 0.00 0.00 176.35 176.91 1fa8 s ALA 42 N -1.07 -0.31 -0.20 4.21 0.00 -0.30 -1.38 121.76 122.71 1fa8 s ALA 42 Ca 0.15 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1fa8 s ALA 42 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1fa8 s ALA 42 CO 0.07 -0.12 -0.07 -0.06 0.00 0.00 0.00 175.76 175.58 1fa8 s PHE 43 N 0.69 2.92 0.05 0.00 0.40 -0.09 0.52 117.98 122.47 1fa8 s PHE 43 Ca -0.05 -0.95 0.08 0.00 -0.60 0.00 0.00 56.93 55.40 1fa8 s PHE 43 Cb -0.07 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1fa8 s PHE 43 CO -0.03 -0.51 -0.21 0.14 0.70 0.00 0.00 175.22 175.31 1fa8 s VAL 44 N 1.25 1.70 0.09 -0.44 -7.23 -0.27 -0.59 120.40 114.91 1fa8 s VAL 44 Ca 0.03 -1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1fa8 s VAL 44 Cb -0.14 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.36 1fa8 s VAL 44 CO -0.03 0.19 0.68 0.61 -0.31 0.00 0.00 175.10 176.24 1fa8 n GLY 45 N 1.76 0.76 0.11 2.32 0.00 -0.97 -0.65 105.19 108.51 1fa8 n GLY 45 Ca -0.17 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 44.91 1fa8 n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fa8 n TYR 46 N -0.48 0.00 -3.81 1.61 4.02 -1.26 -0.66 117.16 116.58 1fa8 n TYR 46 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 1fa8 n TYR 46 Cb 0.37 -0.06 0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1fa8 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1fa8 s GLY 47 N -2.86 0.34 0.46 2.72 0.00 -1.26 -4.95 107.32 101.78 1fa8 s GLY 47 Ca 0.12 -0.72 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 1fa8 s GLY 47 CO 0.75 -0.17 1.35 -4.14 0.00 0.00 0.00 173.10 170.89 1fa8 s PRO 48 N -2.34 3.65 0.48 2.90 0.02 -1.26 -4.81 135.00 133.63 1fa8 s PRO 48 Ca 0.16 2.25 0.18 0.00 0.02 0.00 0.00 61.00 63.61 1fa8 s PRO 48 Cb -0.05 -2.57 1.19 0.00 0.02 0.00 0.00 34.50 33.08 1fa8 s PRO 48 CO 0.11 -0.79 2.00 0.93 -0.33 0.00 0.00 177.00 178.92 1fa8 h GLU 49 N 2.20 0.22 0.00 5.54 5.08 -1.97 -1.10 114.58 124.56 1fa8 h GLU 49 Ca -0.50 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1fa8 h GLU 49 Cb 1.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1fa8 h GLU 49 CO 0.61 0.14 -0.07 1.79 -1.00 0.00 0.00 179.01 180.48 1fa8 h THR 50 N 0.22 1.01 0.00 1.13 1.35 -1.99 -3.20 112.91 111.43 1fa8 h THR 50 Ca 0.25 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1fa8 h THR 50 Cb 0.69 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1fa8 h THR 50 CO -0.05 0.07 -1.69 -0.62 -0.25 0.00 0.00 175.52 172.99 1fa8 n GLU 51 N -4.38 0.49 -3.94 4.72 1.02 -0.49 -5.07 120.64 112.99 1fa8 n GLU 51 Ca -0.03 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 1fa8 n GLU 51 Cb 0.15 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1fa8 n GLU 51 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1fa8 s GLU 52 N -3.01 1.43 0.37 3.49 -1.05 -0.75 -5.03 118.70 114.15 1fa8 s GLU 52 Ca -0.05 -1.16 -0.26 0.00 -0.15 0.00 0.00 54.97 53.35 1fa8 s GLU 52 Cb 0.09 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 1fa8 s GLU 52 CO 0.61 -0.58 1.10 0.00 0.95 0.00 0.00 175.26 177.34 1fa8 s ALA 53 N -3.98 3.17 0.11 -0.84 0.00 -1.25 -4.43 121.76 114.56 1fa8 s ALA 53 Ca 0.19 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1fa8 s ALA 53 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1fa8 s ALA 53 CO 0.05 -0.30 0.05 1.33 0.00 0.00 0.00 175.76 176.89 1fa8 n VAL 54 N 0.25 0.00 -4.79 0.00 0.24 0.15 -4.78 118.33 109.40 1fa8 n VAL 54 Ca 0.03 -0.70 -0.33 0.00 -2.04 0.00 0.00 64.34 61.31 1fa8 n VAL 54 Cb 0.48 0.27 -0.13 0.00 -1.47 0.00 0.00 33.84 32.99 1fa8 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fa8 s ILE 55 N -2.07 3.19 -0.24 1.34 1.01 0.17 -2.25 121.20 122.35 1fa8 s ILE 55 Ca 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1fa8 s ILE 55 Cb 0.00 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1fa8 s ILE 55 CO 0.05 0.56 0.02 -0.70 0.00 0.00 0.00 174.94 174.87 1fa8 s GLU 56 N -0.30 3.41 -0.21 2.79 2.12 0.04 -1.11 118.70 125.44 1fa8 s GLU 56 Ca 0.03 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 1fa8 s GLU 56 Cb -0.13 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1fa8 s GLU 56 CO 0.03 -0.24 0.13 -0.51 -0.54 0.00 0.00 175.26 174.12 1fa8 s LEU 57 N 1.53 4.09 -0.13 2.70 1.43 0.19 -1.05 118.68 127.43 1fa8 s LEU 57 Ca 0.05 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1fa8 s LEU 57 Cb -0.15 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1fa8 s LEU 57 CO 0.00 0.13 -0.17 -0.89 0.23 0.00 0.00 176.35 175.65 1fa8 s THR 58 N 0.67 2.63 -0.17 5.49 2.01 -0.44 -1.15 115.64 124.68 1fa8 s THR 58 Ca 0.07 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1fa8 s THR 58 Cb -0.12 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.33 1fa8 s THR 58 CO 0.01 0.53 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.81 1fa8 s TYR 59 N 0.46 2.73 -0.28 4.92 5.04 0.06 -0.21 117.35 130.07 1fa8 s TYR 59 Ca -0.12 -1.60 -0.14 0.00 -2.44 0.00 0.00 57.07 52.77 1fa8 s TYR 59 Cb -0.16 -1.89 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 1fa8 s TYR 59 CO 0.05 -0.78 0.35 -0.80 -1.34 0.00 0.00 175.55 173.03 1fa8 s ASN 60 N 1.26 6.21 -0.26 4.32 0.01 -1.26 -0.03 114.94 125.19 1fa8 s ASN 60 Ca 0.04 0.18 -0.40 0.00 -0.71 0.00 0.00 52.86 51.97 1fa8 s ASN 60 Cb -0.13 -2.20 -0.16 0.00 0.41 0.00 0.00 41.25 39.17 1fa8 s ASN 60 CO -0.12 -0.19 1.68 0.79 -1.51 0.00 0.00 177.10 177.76 1fa8 n TRP 61 N 5.31 1.96 -0.45 2.20 8.01 -0.25 -0.91 117.44 133.30 1fa8 n TRP 61 Ca -0.09 0.61 0.00 0.00 -1.31 0.00 0.00 57.50 56.70 1fa8 n TRP 61 Cb 0.51 -2.42 0.00 0.00 -2.01 0.00 0.00 31.31 27.38 1fa8 n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fa8 n GLY 62 N 3.98 1.04 3.36 6.99 0.00 -1.26 -5.01 105.19 114.30 1fa8 n GLY 62 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1fa8 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fa8 s VAL 63 N -3.05 4.48 -1.12 1.61 1.01 -0.09 -4.94 120.40 118.30 1fa8 s VAL 63 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.20 1fa8 s VAL 63 Cb 0.00 -3.50 0.19 0.00 0.00 0.00 0.00 36.38 33.07 1fa8 s VAL 63 CO 0.00 -0.23 1.05 -0.90 0.00 0.00 0.00 175.10 175.02 1fa8 n ASP 64 N 4.98 2.40 -3.72 3.32 5.68 -1.26 -4.52 116.55 123.43 1fa8 n ASP 64 Ca -0.12 -1.73 -0.14 0.00 -0.50 0.00 0.00 54.79 52.31 1fa8 n ASP 64 Cb 0.46 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.24 1fa8 n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1fa8 s LYS 65 N -0.95 0.61 0.32 0.11 2.47 -1.26 -4.38 119.74 116.66 1fa8 s LYS 65 Ca 0.18 0.32 0.03 0.00 -1.56 0.00 0.00 55.97 54.94 1fa8 s LYS 65 Cb 0.10 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 1fa8 s LYS 65 CO 0.14 -0.12 0.12 0.71 0.16 0.00 0.00 175.35 176.36 1fa8 s TYR 66 N -0.38 1.70 -0.37 4.03 1.51 -1.26 -5.04 117.35 117.54 1fa8 s TYR 66 Ca -0.05 -1.22 -0.12 0.00 -1.01 0.00 0.00 57.07 54.66 1fa8 s TYR 66 Cb -0.03 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1fa8 s TYR 66 CO 0.03 -0.32 0.23 -1.21 -1.11 0.00 0.00 175.55 173.17 1fa8 s GLU 67 N -3.86 3.02 0.28 -0.62 2.02 -1.26 -4.97 118.70 113.30 1fa8 s GLU 67 Ca 0.34 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 1fa8 s GLU 67 Cb 0.06 -3.79 0.46 0.00 0.10 0.00 0.00 34.13 30.96 1fa8 s GLU 67 CO 0.16 -0.64 1.87 1.25 0.02 0.00 0.00 175.26 177.92 1fa8 h LEU 68 N 8.49 0.99 0.00 1.80 5.85 -1.99 -3.49 115.31 126.96 1fa8 h LEU 68 Ca -0.28 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1fa8 h LEU 68 Cb 1.12 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1fa8 h LEU 68 CO 0.68 0.61 -0.03 0.61 -0.34 0.00 0.00 178.44 179.96 1fa8 n GLY 69 N -1.37 -2.10 0.00 3.75 0.00 -1.26 -4.66 105.19 99.55 1fa8 n GLY 69 Ca 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1fa8 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa8 n THR 70 N -0.85 0.00 -0.06 2.61 -2.24 -1.26 -4.80 114.28 107.68 1fa8 n THR 70 Ca 0.00 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.26 1fa8 n THR 70 Cb 0.04 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1fa8 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fa8 h ALA 71 N 0.00 0.00 -2.64 6.98 0.00 -2.02 -3.46 119.26 118.13 1fa8 h ALA 71 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 1fa8 h ALA 71 Cb 0.03 0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.88 1fa8 h ALA 71 CO 0.00 0.01 1.02 0.98 0.00 0.00 0.00 179.25 181.26 1fa8 n TYR 72 N -4.71 2.74 0.00 0.00 9.36 -1.26 -4.97 117.16 118.32 1fa8 n TYR 72 Ca -0.04 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1fa8 n TYR 72 Cb 0.18 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.21 1fa8 n TYR 72 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fa8 n GLY 73 N 4.00 0.55 2.87 2.98 0.00 -1.26 -5.05 105.19 109.28 1fa8 n GLY 73 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1fa8 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fa8 n HIS 74 N -1.12 -0.25 -5.03 1.61 1.44 -1.26 -4.53 115.22 106.08 1fa8 n HIS 74 Ca 0.00 -0.48 -0.29 0.00 -2.01 0.00 0.00 57.72 54.94 1fa8 n HIS 74 Cb 0.00 0.21 -0.16 0.00 0.12 0.00 0.00 29.99 30.16 1fa8 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fa8 s ILE 75 N -2.04 1.73 -0.09 0.61 1.01 -1.15 -5.00 121.20 116.27 1fa8 s ILE 75 Ca 0.22 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1fa8 s ILE 75 Cb -0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1fa8 s ILE 75 CO -0.01 0.49 -0.00 0.00 0.00 0.00 0.00 174.94 175.42 1fa8 s ALA 76 N 0.12 3.26 0.07 9.38 0.00 -1.26 -0.62 121.76 132.72 1fa8 s ALA 76 Ca -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1fa8 s ALA 76 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1fa8 s ALA 76 CO 0.04 0.55 -0.15 -0.51 0.00 0.00 0.00 175.76 175.70 1fa8 s LEU 77 N -0.75 2.28 0.35 0.00 1.43 0.42 -4.93 118.68 117.49 1fa8 s LEU 77 Ca 0.12 -0.63 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 1fa8 s LEU 77 Cb -0.12 -0.54 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 1fa8 s LEU 77 CO 0.02 -0.07 0.88 -0.94 0.23 0.00 0.00 176.35 176.47 1fa8 s SER 78 N -1.77 7.02 -0.01 2.29 1.04 -1.26 -0.77 113.70 120.25 1fa8 s SER 78 Ca -0.01 1.61 0.03 0.00 0.48 0.00 0.00 55.95 58.06 1fa8 s SER 78 Cb -0.10 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1fa8 s SER 78 CO 0.02 -0.20 -0.11 0.68 0.98 0.00 0.00 173.24 174.61 1fa8 s VAL 79 N -1.91 0.89 0.12 5.02 -7.23 -0.06 -4.78 120.40 112.44 1fa8 s VAL 79 Ca 0.55 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 60.09 1fa8 s VAL 79 Cb -0.13 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 1fa8 s VAL 79 CO 0.18 0.25 1.57 0.44 -0.31 0.00 0.00 175.10 177.23 1fa8 h ASP 80 N 5.90 0.65 -2.53 4.85 3.32 -1.97 -3.34 116.42 123.29 1fa8 h ASP 80 Ca -0.32 -0.30 -0.46 0.00 0.02 0.00 0.00 57.03 55.97 1fa8 h ASP 80 Cb 1.17 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.17 1fa8 h ASP 80 CO 0.49 0.79 -0.73 0.21 -1.72 0.00 0.00 179.24 178.28 1fa8 s ASN 81 N -6.15 2.79 0.12 6.45 3.84 -1.26 -4.94 114.94 115.79 1fa8 s ASN 81 Ca -0.13 -1.16 -0.25 0.00 0.21 0.00 0.00 52.86 51.54 1fa8 s ASN 81 Cb 0.10 -0.02 -0.05 0.00 -0.55 0.00 0.00 41.25 40.72 1fa8 s ASN 81 CO 0.78 -0.41 1.65 0.00 -2.79 0.00 0.00 177.10 176.34 1fa8 h ALA 82 N 8.25 -0.25 -0.09 1.71 0.00 -1.94 0.14 119.26 127.07 1fa8 h ALA 82 Ca -0.16 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1fa8 h ALA 82 Cb 1.03 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1fa8 h ALA 82 CO 0.39 -0.70 -0.21 0.00 0.00 0.00 0.00 179.25 178.73 1fa8 h ALA 83 N 0.57 -0.20 -0.55 0.00 0.00 -1.96 0.22 119.26 117.35 1fa8 h ALA 83 Ca 0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1fa8 h ALA 83 Cb 0.41 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1fa8 h ALA 83 CO -0.20 -0.68 0.31 1.49 0.00 0.00 0.00 179.25 180.17 1fa8 h GLU 84 N -0.29 0.59 -0.98 0.00 4.22 -1.93 -1.84 114.58 114.36 1fa8 h GLU 84 Ca 0.09 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.52 1fa8 h GLU 84 Cb 0.41 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1fa8 h GLU 84 CO -0.26 0.39 0.64 0.00 -2.18 0.00 0.00 179.01 177.60 1fa8 h ALA 85 N 1.26 1.33 -0.72 2.92 0.00 -0.08 -1.34 119.26 122.64 1fa8 h ALA 85 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fa8 h ALA 85 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1fa8 h ALA 85 CO -0.12 0.59 0.47 0.00 0.00 0.00 0.00 179.25 180.20 1fa8 h GLU 87 N 0.96 -0.09 -0.86 0.00 4.39 -0.81 0.38 114.58 118.55 1fa8 h GLU 87 Ca 0.27 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.06 1fa8 h GLU 87 Cb -0.09 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 1fa8 h GLU 87 CO -0.07 0.03 0.51 -0.22 -1.16 0.00 0.00 179.01 178.10 1fa8 h LYS 88 N -0.19 0.85 -0.18 2.33 3.64 -1.03 -0.66 116.57 121.34 1fa8 h LYS 88 Ca -0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1fa8 h LYS 88 Cb 0.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1fa8 h LYS 88 CO 0.02 0.57 -0.03 0.82 -2.27 0.00 0.00 179.45 178.55 1fa8 h ILE 89 N 0.88 1.28 -0.73 2.00 2.04 -0.59 -2.58 117.51 119.81 1fa8 h ILE 89 Ca 0.40 -0.98 0.16 0.00 1.00 0.00 0.00 64.86 65.44 1fa8 h ILE 89 Cb 0.31 1.58 -0.13 0.00 -0.74 0.00 0.00 36.82 37.83 1fa8 h ILE 89 CO -0.22 0.29 -0.05 -0.09 0.00 0.00 0.00 178.15 178.08 1fa8 h ARG 90 N 0.05 0.07 -0.98 2.37 2.43 0.85 0.37 114.38 119.54 1fa8 h ARG 90 Ca 0.05 -0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.66 1fa8 h ARG 90 Cb 0.46 -0.02 -0.30 0.00 -0.42 0.00 0.00 29.97 29.70 1fa8 h ARG 90 CO 0.02 0.04 0.68 1.04 -1.51 0.00 0.00 179.97 180.24 1fa8 n GLN 91 N -5.38 2.36 -2.77 0.20 6.02 -0.36 -4.51 117.38 112.94 1fa8 n GLN 91 Ca 0.12 -3.10 -0.10 0.00 -0.01 0.00 0.00 57.00 53.91 1fa8 n GLN 91 Cb 0.43 -2.20 0.07 0.00 1.02 0.00 0.00 30.24 29.56 1fa8 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fa8 n ASN 92 N -1.08 -0.71 0.00 1.08 3.02 0.07 -4.98 115.26 112.66 1fa8 n ASN 92 Ca 0.60 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 1fa8 n ASN 92 Cb 1.38 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.12 1fa8 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fa8 n GLY 93 N -0.11 0.87 3.83 7.41 0.00 -1.25 -4.89 105.19 111.06 1fa8 n GLY 93 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1fa8 n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fa8 s GLY 94 N -2.00 2.30 -0.07 -0.02 0.00 -0.93 -4.48 107.32 102.12 1fa8 s GLY 94 Ca 0.00 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.01 1fa8 s GLY 94 CO 0.00 -1.86 -0.21 -1.31 0.00 0.00 0.00 173.10 169.72 1fa8 s ASN 95 N -4.09 2.71 -0.49 1.64 0.01 -1.21 -4.42 114.94 109.10 1fa8 s ASN 95 Ca 0.41 -0.47 -0.17 0.00 -0.71 0.00 0.00 52.86 51.92 1fa8 s ASN 95 Cb -0.00 -0.98 0.06 0.00 0.41 0.00 0.00 41.25 40.74 1fa8 s ASN 95 CO 0.24 0.17 0.51 -0.69 -1.51 0.00 0.00 177.10 175.82 1fa8 s VAL 96 N 0.16 5.05 -0.31 1.60 1.01 -1.26 -1.27 120.40 125.37 1fa8 s VAL 96 Ca -0.10 -0.73 0.22 0.00 0.00 0.00 0.00 61.98 61.37 1fa8 s VAL 96 Cb -0.15 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.15 1fa8 s VAL 96 CO 0.05 -0.68 1.27 0.71 0.00 0.00 0.00 175.10 176.45 1fa8 h THR 97 N 5.81 0.05 -2.14 3.92 1.35 -1.36 -3.43 112.91 117.11 1fa8 h THR 97 Ca -0.28 -1.08 -0.28 0.00 -0.55 0.00 0.00 66.41 64.22 1fa8 h THR 97 Cb 1.10 1.75 -0.33 0.00 -1.73 0.00 0.00 68.15 68.95 1fa8 h THR 97 CO 0.92 0.03 -0.60 -0.60 -0.25 0.00 0.00 175.52 175.02 1fa8 s ARG 98 N -3.27 0.31 0.61 4.72 3.52 -0.60 -4.91 118.95 119.33 1fa8 s ARG 98 Ca 0.03 0.08 -0.18 0.00 -0.13 0.00 0.00 55.73 55.52 1fa8 s ARG 98 Cb 0.08 -0.70 -0.05 0.00 -1.56 0.00 0.00 34.95 32.71 1fa8 s ARG 98 CO 0.74 -0.89 0.80 0.39 -0.81 0.00 0.00 175.30 175.53 1fa8 n GLU 99 N 5.33 0.69 -1.81 5.12 -0.58 -1.26 -1.37 120.64 126.76 1fa8 n GLU 99 Ca -0.03 0.27 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 1fa8 n GLU 99 Cb 0.48 -2.01 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 1fa8 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa8 s ALA 100 N -1.63 3.82 -0.26 0.62 0.00 -1.26 -4.64 121.76 118.42 1fa8 s ALA 100 Ca 0.73 1.52 -0.38 0.00 0.00 0.00 0.00 51.96 53.84 1fa8 s ALA 100 Cb -0.41 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.21 1fa8 s ALA 100 CO 0.50 -0.90 1.36 0.20 0.00 0.00 0.00 175.76 176.92 1fa8 s GLY 101 N 0.88 -0.24 0.39 0.00 0.00 -0.48 -4.94 107.32 102.92 1fa8 s GLY 101 Ca 0.69 1.78 -0.26 0.00 0.00 0.00 0.00 44.72 46.93 1fa8 s GLY 101 CO 0.38 0.58 1.18 -1.05 0.00 0.00 0.00 173.10 174.19 1fa8 n PRO 102 N -0.07 1.77 -1.74 2.90 -0.02 -1.26 -1.20 135.00 135.39 1fa8 n PRO 102 Ca 0.03 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1fa8 n PRO 102 Cb 0.57 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1fa8 n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fa8 s VAL 103 N -1.18 3.06 0.04 -1.45 0.11 0.94 -4.81 120.40 117.10 1fa8 s VAL 103 Ca 0.60 0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 59.86 1fa8 s VAL 103 Cb -0.55 -3.04 -0.08 0.00 -1.53 0.00 0.00 36.38 31.17 1fa8 s VAL 103 CO 0.59 -0.29 1.85 -0.75 -3.33 0.00 0.00 175.10 173.17 1fa8 s LYS 104 N -4.00 4.15 0.00 1.54 2.20 -1.26 -1.39 119.74 120.98 1fa8 s LYS 104 Ca 0.69 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.80 1fa8 s LYS 104 Cb -0.22 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1fa8 s LYS 104 CO 0.41 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 1fa8 n GLY 105 N 4.35 0.64 0.00 5.54 0.00 -1.26 -4.99 105.19 109.47 1fa8 n GLY 105 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fa8 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa8 n GLY 106 N -2.69 5.09 0.00 -0.02 0.00 -0.49 -5.07 105.19 102.00 1fa8 n GLY 106 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1fa8 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa8 n THR 107 N 0.00 0.00 -1.67 2.61 -2.24 -1.26 -4.45 114.28 107.26 1fa8 n THR 107 Ca 0.00 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.30 1fa8 n THR 107 Cb 0.00 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1fa8 n THR 107 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fa8 n THR 108 N -1.24 0.31 -2.69 4.28 -1.04 -1.26 -4.48 114.28 108.15 1fa8 n THR 108 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1fa8 n THR 108 Cb 0.18 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 1fa8 n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fa8 s VAL 109 N 2.61 4.82 0.20 12.58 1.01 -1.26 -0.04 120.40 140.31 1fa8 s VAL 109 Ca 0.87 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.88 1fa8 s VAL 109 Cb -0.71 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1fa8 s VAL 109 CO 0.46 0.13 0.10 0.27 0.00 0.00 0.00 175.10 176.07 1fa8 s ILE 110 N 1.18 0.20 0.19 2.22 -4.36 -0.34 -1.07 121.20 119.21 1fa8 s ILE 110 Ca 0.52 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.70 1fa8 s ILE 110 Cb -0.21 -2.43 0.06 0.00 1.25 0.00 0.00 42.46 41.13 1fa8 s ILE 110 CO 0.26 -0.11 0.61 0.00 0.24 0.00 0.00 174.94 175.94 1fa8 s ALA 111 N -4.01 -1.46 -0.02 2.27 0.00 -0.45 -1.39 121.76 116.71 1fa8 s ALA 111 Ca 0.35 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1fa8 s ALA 111 Cb 0.07 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1fa8 s ALA 111 CO 0.10 -0.83 -0.12 -0.06 0.00 0.00 0.00 175.76 174.85 1fa8 s PHE 112 N -3.80 1.16 0.28 0.00 0.40 -0.47 -0.36 117.98 115.20 1fa8 s PHE 112 Ca 0.04 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1fa8 s PHE 112 Cb -0.02 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 1fa8 s PHE 112 CO -0.08 -0.06 0.29 0.14 0.70 0.00 0.00 175.22 176.21 1fa8 s VAL 113 N -0.12 0.00 -0.02 -0.44 -7.23 -0.31 -0.91 120.40 111.37 1fa8 s VAL 113 Ca 0.02 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1fa8 s VAL 113 Cb -0.07 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 1fa8 s VAL 113 CO 0.00 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.03 1fa8 s GLU 114 N -3.66 1.29 1.03 4.82 2.02 -0.40 -0.10 118.70 123.70 1fa8 s GLU 114 Ca 0.36 -0.55 -0.17 0.00 0.02 0.00 0.00 54.97 54.63 1fa8 s GLU 114 Cb 0.03 -1.23 0.24 0.00 0.10 0.00 0.00 34.13 33.27 1fa8 s GLU 114 CO 0.19 0.32 1.33 -0.40 0.02 0.00 0.00 175.26 176.71 1fa8 n ASP 115 N 2.76 -0.15 0.29 -0.19 3.85 -0.07 -3.29 116.55 119.74 1fa8 n ASP 115 Ca -0.15 -1.45 0.17 0.00 -0.71 0.00 0.00 54.79 52.65 1fa8 n ASP 115 Cb 0.54 -1.03 0.95 0.00 -1.35 0.00 0.00 41.12 40.23 1fa8 n ASP 115 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1fa8 h PRO 116 N 0.00 0.00 -0.54 0.11 0.11 -1.91 -0.93 132.00 128.84 1fa8 h PRO 116 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1fa8 h PRO 116 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fa8 h PRO 116 CO 0.30 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.84 1fa8 n ASP 117 N -3.65 3.53 0.00 -2.05 9.92 -1.26 -4.93 116.55 118.10 1fa8 n ASP 117 Ca -0.02 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1fa8 n ASP 117 Cb 0.15 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1fa8 n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fa8 n GLY 118 N 1.55 0.70 3.77 0.44 0.00 -0.35 -5.03 105.19 106.27 1fa8 n GLY 118 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1fa8 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa8 s TYR 119 N -2.78 2.96 0.12 1.61 1.51 -1.26 -4.68 117.35 114.83 1fa8 s TYR 119 Ca 0.00 1.39 -0.23 0.00 -1.01 0.00 0.00 57.07 57.22 1fa8 s TYR 119 Cb 0.00 -3.71 -0.07 0.00 -0.11 0.00 0.00 41.96 38.07 1fa8 s TYR 119 CO 0.00 -2.01 0.70 0.15 -1.11 0.00 0.00 175.55 173.28 1fa8 s LYS 120 N -1.92 4.43 -0.06 -0.62 1.02 -1.26 -0.89 119.74 120.43 1fa8 s LYS 120 Ca 0.51 0.99 0.01 0.00 0.02 0.00 0.00 55.97 57.50 1fa8 s LYS 120 Cb -0.40 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1fa8 s LYS 120 CO 0.53 0.56 -0.08 0.42 -0.92 0.00 0.00 175.35 175.87 1fa8 s ILE 121 N -1.01 0.80 -0.17 2.17 1.01 0.86 -2.91 121.20 121.96 1fa8 s ILE 121 Ca 0.33 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1fa8 s ILE 121 Cb -0.21 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1fa8 s ILE 121 CO 0.23 0.29 0.17 -0.70 0.00 0.00 0.00 174.94 174.93 1fa8 s GLU 122 N 0.92 4.00 -0.18 2.79 2.12 0.21 -1.16 118.70 127.40 1fa8 s GLU 122 Ca -0.11 -0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1fa8 s GLU 122 Cb -0.15 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1fa8 s GLU 122 CO 0.01 0.42 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.60 1fa8 s LEU 123 N -0.02 3.05 -0.19 2.70 1.43 0.52 -0.43 118.68 125.74 1fa8 s LEU 123 Ca 0.11 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1fa8 s LEU 123 Cb -0.12 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1fa8 s LEU 123 CO 0.01 0.08 -0.14 -0.63 0.23 0.00 0.00 176.35 175.91 1fa8 s ILE 124 N 0.87 1.78 -0.63 -0.59 1.01 0.05 -1.34 121.20 122.34 1fa8 s ILE 124 Ca -0.01 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 1fa8 s ILE 124 Cb -0.15 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1fa8 s ILE 124 CO 0.01 0.31 1.52 -0.70 0.00 0.00 0.00 174.94 176.09 1fa8 s GLU 125 N 1.36 3.05 0.00 2.79 2.12 -0.23 -0.88 118.70 126.90 1fa8 s GLU 125 Ca 0.01 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1fa8 s GLU 125 Cb -0.15 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1fa8 s GLU 125 CO -0.10 -2.26 0.00 -1.91 -0.54 0.00 0.00 175.26 170.45 1fa8 n GLU 126 N 9.06 3.20 0.00 4.30 2.13 -1.25 -4.46 120.64 133.63 1fa8 n GLU 126 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1fa8 n GLU 126 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1fa8 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fa8 n GLY 134 N 5.00 0.00 0.56 8.31 0.00 -1.26 -5.10 105.19 112.70 1fa8 n GLY 134 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1fa8 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48