#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa7 s ARG 2 N 0.00 1.40 -0.38 0.03 1.70 -1.26 -5.11 118.95 115.33 1fa7 s ARG 2 Ca 0.00 -0.74 -0.28 0.00 -0.47 0.00 0.00 55.73 54.24 1fa7 s ARG 2 Cb 0.00 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1fa7 s ARG 2 CO 0.00 -0.64 1.05 -1.17 -1.08 0.00 0.00 175.30 173.47 1fa7 s LEU 3 N -2.88 3.86 -0.12 -1.89 0.20 -1.26 -4.93 118.68 111.66 1fa7 s LEU 3 Ca 0.10 0.73 -0.08 0.00 0.69 0.00 0.00 54.13 55.57 1fa7 s LEU 3 Cb -0.03 -3.47 -0.07 0.00 -0.43 0.00 0.00 46.19 42.19 1fa7 s LEU 3 CO 0.02 -1.00 0.16 -0.07 -0.29 0.00 0.00 176.35 175.18 1fa7 h LEU 4 N 10.45 0.00 -7.61 -0.68 3.38 -1.94 -3.34 115.31 115.56 1fa7 h LEU 4 Ca -0.22 -0.25 0.15 0.00 0.09 0.00 0.00 57.88 57.66 1fa7 h LEU 4 Cb 1.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1fa7 h LEU 4 CO 1.05 0.68 0.44 -1.38 0.09 0.00 0.00 178.44 179.32 1fa7 s HIS 5 N -1.81 -0.17 -0.14 1.13 -3.43 -1.26 -0.96 115.29 108.65 1fa7 s HIS 5 Ca -0.07 -0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1fa7 s HIS 5 Cb -0.00 0.64 0.01 0.00 -1.43 0.00 0.00 32.58 31.79 1fa7 s HIS 5 CO 0.20 -0.85 -0.21 0.99 -2.00 0.00 0.00 174.74 172.87 1fa7 s THR 6 N -3.36 2.00 -0.17 -5.38 2.01 -0.48 -4.92 115.64 105.34 1fa7 s THR 6 Ca 0.11 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 1fa7 s THR 6 Cb -0.02 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1fa7 s THR 6 CO 0.01 0.54 0.23 -0.32 -0.69 0.00 0.00 174.62 174.39 1fa7 s MET 7 N 0.88 4.19 -0.03 4.92 0.00 -1.26 -0.46 119.30 127.54 1fa7 s MET 7 Ca -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 55.69 55.64 1fa7 s MET 7 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 34.83 31.27 1fa7 s MET 7 CO -0.03 0.29 -0.11 -0.51 0.00 0.00 0.00 175.02 174.66 1fa7 s LEU 8 N 0.33 1.83 -0.06 4.11 1.43 0.58 -4.94 118.68 121.97 1fa7 s LEU 8 Ca 0.14 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 1fa7 s LEU 8 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1fa7 s LEU 8 CO 0.02 0.09 0.86 -0.13 0.23 0.00 0.00 176.35 177.43 1fa7 s ARG 9 N 0.12 4.47 0.15 1.70 0.52 -1.26 -0.38 118.95 124.27 1fa7 s ARG 9 Ca -0.03 1.17 0.10 0.00 -0.52 0.00 0.00 55.73 56.46 1fa7 s ARG 9 Cb -0.09 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1fa7 s ARG 9 CO 0.01 -0.07 -0.19 0.14 0.02 0.00 0.00 175.30 175.20 1fa7 s VAL 10 N 1.19 2.70 -0.40 3.52 -7.23 -0.07 -4.88 120.40 115.22 1fa7 s VAL 10 Ca 0.45 -1.71 0.22 0.00 -1.81 0.00 0.00 61.98 59.13 1fa7 s VAL 10 Cb -0.19 -2.27 0.30 0.00 0.56 0.00 0.00 36.38 34.78 1fa7 s VAL 10 CO 0.21 0.00 1.58 1.23 -0.31 0.00 0.00 175.10 177.81 1fa7 h GLY 11 N 3.46 0.00 -6.31 2.32 0.00 -1.81 -3.41 103.07 97.32 1fa7 h GLY 11 Ca -0.49 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1fa7 h GLY 11 CO 0.47 0.00 -0.44 -0.35 0.00 0.00 0.00 176.54 176.21 1fa7 s ASP 12 N -6.22 -0.16 0.14 0.19 -1.08 -1.26 -4.25 116.67 104.03 1fa7 s ASP 12 Ca 0.06 0.22 -0.25 0.00 -0.52 0.00 0.00 52.55 52.06 1fa7 s ASP 12 Cb 0.05 1.38 -0.00 0.00 -1.46 0.00 0.00 42.92 42.89 1fa7 s ASP 12 CO 0.68 -0.30 1.61 0.25 0.52 0.00 0.00 175.17 177.92 1fa7 h LEU 13 N 8.13 -1.02 -1.02 -1.34 5.85 -1.94 -1.08 115.31 122.88 1fa7 h LEU 13 Ca -0.17 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1fa7 h LEU 13 Cb 1.15 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 1fa7 h LEU 13 CO 0.26 -0.35 0.01 -0.61 -0.34 0.00 0.00 178.44 177.41 1fa7 h GLN 14 N -0.36 0.71 -0.71 1.25 5.75 -1.98 0.17 115.11 119.94 1fa7 h GLN 14 Ca 0.11 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1fa7 h GLN 14 Cb 0.54 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1fa7 h GLN 14 CO -0.40 0.72 0.46 -0.09 -2.65 0.00 0.00 178.83 176.87 1fa7 h ARG 15 N 0.67 0.89 -0.07 1.69 2.43 -1.87 0.26 114.38 118.39 1fa7 h ARG 15 Ca 0.14 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1fa7 h ARG 15 Cb 0.40 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1fa7 h ARG 15 CO 0.01 0.59 -0.16 0.77 -1.51 0.00 0.00 179.97 179.67 1fa7 h SER 16 N 0.92 0.26 -0.18 -3.80 0.02 -0.83 -2.81 113.55 107.13 1fa7 h SER 16 Ca 0.27 -0.59 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1fa7 h SER 16 Cb -0.06 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1fa7 h SER 16 CO -0.08 0.80 -0.23 0.40 -1.14 0.00 0.00 176.83 176.59 1fa7 h ILE 17 N -0.27 0.43 -0.75 3.27 2.04 -0.30 -1.38 117.51 120.54 1fa7 h ILE 17 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1fa7 h ILE 17 Cb 0.77 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 1fa7 h ILE 17 CO 0.04 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.95 1fa7 h ASP 18 N -0.26 0.35 0.18 1.72 3.32 -0.52 -0.99 116.42 120.22 1fa7 h ASP 18 Ca 0.12 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1fa7 h ASP 18 Cb 0.44 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1fa7 h ASP 18 CO -0.33 0.15 -0.09 0.15 -1.72 0.00 0.00 179.24 177.40 1fa7 h PHE 19 N 0.50 -0.23 -0.32 4.55 3.57 -1.08 0.61 116.94 124.53 1fa7 h PHE 19 Ca 0.41 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.75 1fa7 h PHE 19 Cb 0.57 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1fa7 h PHE 19 CO -0.14 -0.10 -0.38 1.88 -2.23 0.00 0.00 178.31 177.33 1fa7 h TYR 20 N -0.30 0.91 0.00 0.41 -1.99 -1.12 0.22 116.97 115.11 1fa7 h TYR 20 Ca -0.03 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1fa7 h TYR 20 Cb 0.23 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1fa7 h TYR 20 CO -0.05 1.02 -0.01 1.79 -0.00 0.00 0.00 178.16 180.91 1fa7 h THR 21 N 0.63 0.00 -0.93 -2.88 1.35 -1.15 0.48 112.91 110.42 1fa7 h THR 21 Ca 0.06 -0.20 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 1fa7 h THR 21 Cb 0.93 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.30 1fa7 h THR 21 CO 0.08 0.00 0.61 0.11 -0.25 0.00 0.00 175.52 176.07 1fa7 h LYS 22 N -0.20 1.18 0.01 4.72 1.57 0.07 0.13 116.57 124.04 1fa7 h LYS 22 Ca 0.00 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 1fa7 h LYS 22 Cb 0.01 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 1fa7 h LYS 22 CO 0.00 0.78 -1.69 0.28 -0.57 0.00 0.00 179.45 178.25 1fa7 n VAL 23 N -4.47 1.55 1.05 0.50 0.31 -0.64 -4.42 118.33 112.21 1fa7 n VAL 23 Ca 0.11 -0.19 0.14 0.00 -0.01 0.00 0.00 64.34 64.39 1fa7 n VAL 23 Cb 0.06 -1.96 0.55 0.00 -0.91 0.00 0.00 33.84 31.58 1fa7 n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1fa7 n LEU 24 N -4.28 0.13 0.00 7.52 4.77 -0.03 -4.93 117.00 120.19 1fa7 n LEU 24 Ca -0.38 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1fa7 n LEU 24 Cb 0.77 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1fa7 n LEU 24 CO 0.17 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1fa7 n GLY 25 N 1.48 0.78 3.67 -0.72 0.00 0.43 -4.94 105.19 105.89 1fa7 n GLY 25 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1fa7 n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fa7 s MET 26 N -0.27 -0.55 0.01 1.61 -1.94 0.13 -4.92 119.30 113.38 1fa7 s MET 26 Ca 0.00 -0.02 0.06 0.00 -1.71 0.00 0.00 55.69 54.02 1fa7 s MET 26 Cb 0.00 -1.67 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 1fa7 s MET 26 CO 0.00 -3.27 -0.19 0.15 -0.01 0.00 0.00 175.02 171.70 1fa7 s LYS 27 N -5.42 1.40 -0.39 2.03 -0.14 -0.67 -4.30 119.74 112.25 1fa7 s LYS 27 Ca 0.70 -0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 54.27 1fa7 s LYS 27 Cb -0.10 -1.41 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 1fa7 s LYS 27 CO 0.56 0.38 1.50 -1.17 -0.76 0.00 0.00 175.35 175.85 1fa7 s LEU 28 N -0.73 3.58 -0.01 3.17 2.96 -1.26 -2.46 118.68 123.92 1fa7 s LEU 28 Ca 0.07 0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 54.80 1fa7 s LEU 28 Cb -0.08 -3.54 -0.33 0.00 0.50 0.00 0.00 46.19 42.75 1fa7 s LEU 28 CO 0.00 -1.49 0.82 -0.07 -1.32 0.00 0.00 176.35 174.30 1fa7 h LEU 29 N 12.49 0.73 -7.00 -0.68 3.38 0.79 -3.49 115.31 121.53 1fa7 h LEU 29 Ca -0.29 -0.93 0.22 0.00 0.09 0.00 0.00 57.88 56.97 1fa7 h LEU 29 Cb 1.12 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.44 1fa7 h LEU 29 CO 1.07 1.75 0.76 0.00 0.09 0.00 0.00 178.44 182.11 1fa7 s ARG 30 N -2.58 0.38 0.11 1.13 1.70 -1.17 -4.96 118.95 113.55 1fa7 s ARG 30 Ca -0.13 -0.11 0.02 0.00 -0.47 0.00 0.00 55.73 55.05 1fa7 s ARG 30 Cb 0.05 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1fa7 s ARG 30 CO 0.90 -0.16 -0.06 0.95 -1.08 0.00 0.00 175.30 175.84 1fa7 s THR 31 N -2.28 0.73 0.20 4.99 -4.23 -1.26 0.48 115.64 114.26 1fa7 s THR 31 Ca 0.08 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 1fa7 s THR 31 Cb -0.01 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 72.15 1fa7 s THR 31 CO -0.05 -0.83 0.69 -0.94 -0.54 0.00 0.00 174.62 172.95 1fa7 s SER 32 N -3.06 -0.41 -0.06 3.99 1.04 -0.70 -4.98 113.70 109.52 1fa7 s SER 32 Ca 0.13 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 1fa7 s SER 32 Cb 0.05 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1fa7 s SER 32 CO -0.04 -1.09 0.15 -1.83 0.98 0.00 0.00 173.24 171.41 1fa7 s GLU 33 N -3.75 0.14 -0.26 4.02 4.04 -1.26 -0.91 118.70 120.72 1fa7 s GLU 33 Ca 0.06 0.28 0.02 0.00 0.04 0.00 0.00 54.97 55.37 1fa7 s GLU 33 Cb -0.03 -0.03 0.06 0.00 0.02 0.00 0.00 34.13 34.14 1fa7 s GLU 33 CO -0.04 -0.08 -0.10 1.21 -1.84 0.00 0.00 175.26 174.40 1fa7 s ASN 34 N 0.57 4.41 0.19 0.83 3.84 -0.44 -5.00 114.94 119.34 1fa7 s ASN 34 Ca -0.04 -1.33 -0.02 0.00 0.21 0.00 0.00 52.86 51.68 1fa7 s ASN 34 Cb -0.06 -1.56 0.12 0.00 -0.55 0.00 0.00 41.25 39.20 1fa7 s ASN 34 CO -0.03 -0.18 1.50 1.55 -2.79 0.00 0.00 177.10 177.15 1fa7 h PRO 35 N 7.81 0.49 0.19 0.43 0.13 -1.96 0.21 132.00 139.29 1fa7 h PRO 35 Ca -0.21 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1fa7 h PRO 35 Cb 1.05 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1fa7 h PRO 35 CO 0.48 0.94 -0.16 1.49 -0.23 0.00 0.00 178.00 180.52 1fa7 h GLU 36 N 0.37 -0.35 -0.01 0.86 4.81 -1.97 -2.98 114.58 115.32 1fa7 h GLU 36 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1fa7 h GLU 36 Cb 1.14 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1fa7 h GLU 36 CO 0.11 -0.23 -0.34 0.66 -0.73 0.00 0.00 179.01 178.47 1fa7 n TYR 37 N -5.28 0.00 -3.26 0.92 4.02 -1.23 -5.00 117.16 107.33 1fa7 n TYR 37 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 1fa7 n TYR 37 Cb 0.20 -0.15 0.04 0.00 -0.02 0.00 0.00 39.34 39.41 1fa7 n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fa7 n LYS 38 N -0.87 -1.77 -3.87 -0.72 5.02 0.70 -4.95 118.16 111.70 1fa7 n LYS 38 Ca 0.10 1.02 -0.09 0.00 -2.02 0.00 0.00 58.31 57.32 1fa7 n LYS 38 Cb 0.35 -5.45 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 1fa7 n LYS 38 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fa7 s TYR 39 N -3.25 0.20 -0.02 2.13 -0.85 -0.90 -2.10 117.35 112.55 1fa7 s TYR 39 Ca 0.29 -0.58 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 1fa7 s TYR 39 Cb -0.05 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.30 1fa7 s TYR 39 CO 0.77 -0.67 -0.07 -1.12 -1.52 0.00 0.00 175.55 172.94 1fa7 s SER 40 N -2.90 0.95 0.17 -0.18 0.01 0.64 -1.33 113.70 111.05 1fa7 s SER 40 Ca 0.10 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.33 1fa7 s SER 40 Cb 0.03 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1fa7 s SER 40 CO -0.06 0.05 -0.24 -0.76 0.41 0.00 0.00 173.24 172.64 1fa7 s LEU 41 N 0.17 2.40 -0.04 2.44 1.43 -0.09 -0.36 118.68 124.62 1fa7 s LEU 41 Ca -0.02 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1fa7 s LEU 41 Cb -0.07 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1fa7 s LEU 41 CO 0.00 0.11 0.08 0.00 0.23 0.00 0.00 176.35 176.77 1fa7 s ALA 42 N -1.53 0.02 -0.22 4.21 0.00 -0.78 -1.72 121.76 121.73 1fa7 s ALA 42 Ca 0.17 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1fa7 s ALA 42 Cb -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1fa7 s ALA 42 CO 0.08 -0.31 0.11 -0.06 0.00 0.00 0.00 175.76 175.58 1fa7 s PHE 43 N 1.63 3.23 0.02 0.00 0.40 0.18 -0.59 117.98 122.85 1fa7 s PHE 43 Ca -0.03 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.41 1fa7 s PHE 43 Cb -0.12 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 1fa7 s PHE 43 CO -0.04 -0.01 -0.24 0.14 0.70 0.00 0.00 175.22 175.77 1fa7 s VAL 44 N 0.99 1.89 0.04 -0.44 -7.23 -0.47 0.13 120.40 115.31 1fa7 s VAL 44 Ca 0.06 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 1fa7 s VAL 44 Cb -0.14 -1.61 0.10 0.00 0.56 0.00 0.00 36.38 35.30 1fa7 s VAL 44 CO 0.03 0.38 1.18 -0.83 -0.31 0.00 0.00 175.10 175.55 1fa7 s GLY 45 N -0.96 -0.35 0.00 2.32 0.00 -1.03 -0.18 107.32 107.12 1fa7 s GLY 45 Ca 0.09 0.53 0.21 0.00 0.00 0.00 0.00 44.72 45.55 1fa7 s GLY 45 CO 0.01 0.09 1.60 -1.72 0.00 0.00 0.00 173.10 173.08 1fa7 n TYR 46 N -0.48 0.16 -3.77 1.90 4.02 -1.26 -1.68 117.16 116.05 1fa7 n TYR 46 Ca -0.08 -0.08 -0.05 0.00 -0.01 0.00 0.00 57.90 57.68 1fa7 n TYR 46 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.92 1fa7 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1fa7 s GLY 47 N -1.61 -0.20 0.53 2.72 0.00 -1.26 -5.00 107.32 102.49 1fa7 s GLY 47 Ca 0.32 0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.84 1fa7 s GLY 47 CO 0.26 -0.01 1.17 -4.14 0.00 0.00 0.00 173.10 170.38 1fa7 s PRO 48 N -3.55 3.40 0.55 2.90 0.01 -1.26 -4.73 135.00 132.32 1fa7 s PRO 48 Ca 0.11 1.74 0.33 0.00 0.01 0.00 0.00 61.00 63.18 1fa7 s PRO 48 Cb -0.03 -2.13 1.49 0.00 0.01 0.00 0.00 34.50 33.83 1fa7 s PRO 48 CO 0.03 -0.84 1.85 0.93 0.01 0.00 0.00 177.00 178.98 1fa7 h GLU 49 N 1.43 0.00 0.00 5.54 5.08 -1.96 0.24 114.58 124.91 1fa7 h GLU 49 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1fa7 h GLU 49 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1fa7 h GLU 49 CO 0.58 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 180.38 1fa7 h THR 50 N 0.00 0.00 0.00 1.13 1.35 -1.98 -3.34 112.91 110.07 1fa7 h THR 50 Ca 0.44 -0.65 -0.37 0.00 -0.55 0.00 0.00 66.41 65.28 1fa7 h THR 50 Cb 1.83 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 69.80 1fa7 h THR 50 CO -0.00 0.00 -2.39 -0.62 -0.25 0.00 0.00 175.52 172.25 1fa7 n GLU 51 N -2.69 0.69 -3.20 4.72 1.02 0.75 -5.08 120.64 116.85 1fa7 n GLU 51 Ca 0.04 0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1fa7 n GLU 51 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 1fa7 n GLU 51 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1fa7 n GLU 52 N -3.05 0.24 -3.12 3.49 -0.58 -0.62 -5.00 120.64 112.01 1fa7 n GLU 52 Ca -0.40 -1.81 -0.39 0.00 -0.42 0.00 0.00 57.16 54.14 1fa7 n GLU 52 Cb 1.03 1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 33.35 1fa7 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa7 s ALA 53 N -2.70 3.51 0.13 0.62 0.00 -1.26 -4.53 121.76 117.54 1fa7 s ALA 53 Ca 0.21 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1fa7 s ALA 53 Cb 0.01 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1fa7 s ALA 53 CO 0.15 0.34 0.05 1.33 0.00 0.00 0.00 175.76 177.63 1fa7 n VAL 54 N 1.67 0.00 -5.09 0.00 0.24 -0.14 -4.68 118.33 110.33 1fa7 n VAL 54 Ca -0.08 -0.78 -0.30 0.00 -2.04 0.00 0.00 64.34 61.14 1fa7 n VAL 54 Cb 0.50 0.28 -0.17 0.00 -1.47 0.00 0.00 33.84 32.98 1fa7 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fa7 s ILE 55 N -2.05 1.84 -0.36 1.34 1.01 0.75 -1.38 121.20 122.34 1fa7 s ILE 55 Ca 0.07 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1fa7 s ILE 55 Cb 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1fa7 s ILE 55 CO 0.05 0.51 0.29 -0.70 0.00 0.00 0.00 174.94 175.09 1fa7 s GLU 56 N 0.24 3.36 -0.29 2.79 2.12 0.39 -1.37 118.70 125.95 1fa7 s GLU 56 Ca -0.13 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.33 1fa7 s GLU 56 Cb -0.16 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1fa7 s GLU 56 CO 0.06 -0.56 0.50 -0.51 -0.54 0.00 0.00 175.26 174.22 1fa7 s LEU 57 N 1.80 4.12 -0.20 2.70 1.43 0.24 -0.31 118.68 128.46 1fa7 s LEU 57 Ca 0.07 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1fa7 s LEU 57 Cb -0.18 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1fa7 s LEU 57 CO 0.11 -0.33 0.02 -0.89 0.23 0.00 0.00 176.35 175.49 1fa7 s THR 58 N 2.31 4.14 -0.28 5.49 2.01 0.49 -1.87 115.64 127.93 1fa7 s THR 58 Ca 0.20 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1fa7 s THR 58 Cb -0.16 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.51 1fa7 s THR 58 CO 0.10 0.42 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.98 1fa7 s TYR 59 N 0.96 3.16 -0.32 4.92 5.04 0.51 -0.89 117.35 130.73 1fa7 s TYR 59 Ca 0.02 -1.59 -0.22 0.00 -2.44 0.00 0.00 57.07 52.84 1fa7 s TYR 59 Cb -0.14 -2.11 -0.00 0.00 0.35 0.00 0.00 41.96 40.05 1fa7 s TYR 59 CO 0.02 -0.74 0.69 -0.80 -1.34 0.00 0.00 175.55 173.39 1fa7 s ASN 60 N 1.33 6.54 0.05 4.32 0.01 -1.26 -0.26 114.94 125.66 1fa7 s ASN 60 Ca -0.02 0.46 -0.38 0.00 -0.71 0.00 0.00 52.86 52.22 1fa7 s ASN 60 Cb -0.18 -2.36 -0.17 0.00 0.41 0.00 0.00 41.25 38.95 1fa7 s ASN 60 CO -0.02 -0.56 1.30 0.79 -1.51 0.00 0.00 177.10 177.10 1fa7 n TRP 61 N 6.05 1.34 -0.79 2.20 8.01 -0.89 -0.43 117.44 132.92 1fa7 n TRP 61 Ca 0.01 0.74 0.00 0.00 -1.31 0.00 0.00 57.50 56.93 1fa7 n TRP 61 Cb 0.48 -2.28 0.00 0.00 -2.01 0.00 0.00 31.31 27.50 1fa7 n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fa7 n GLY 62 N 2.36 1.30 3.42 6.99 0.00 -1.26 -5.00 105.19 113.00 1fa7 n GLY 62 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1fa7 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fa7 s VAL 63 N -3.65 4.48 -0.54 1.61 1.01 0.43 -4.95 120.40 118.78 1fa7 s VAL 63 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1fa7 s VAL 63 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.19 1fa7 s VAL 63 CO 0.00 0.09 0.88 -0.90 0.00 0.00 0.00 175.10 175.17 1fa7 n ASP 64 N 4.96 1.91 -3.69 3.32 5.68 -1.26 -4.59 116.55 122.88 1fa7 n ASP 64 Ca -0.14 -1.59 -0.14 0.00 -0.50 0.00 0.00 54.79 52.42 1fa7 n ASP 64 Cb 0.49 -0.05 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 1fa7 n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1fa7 s LYS 65 N -0.70 0.66 0.44 0.11 2.47 -1.26 -4.33 119.74 117.12 1fa7 s LYS 65 Ca 0.08 0.57 0.03 0.00 -1.56 0.00 0.00 55.97 55.09 1fa7 s LYS 65 Cb 0.05 0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1fa7 s LYS 65 CO 0.07 -0.11 0.10 0.71 0.16 0.00 0.00 175.35 176.28 1fa7 s TYR 66 N -0.07 1.81 -0.36 4.03 1.51 -1.26 -5.04 117.35 117.97 1fa7 s TYR 66 Ca -0.03 -1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 54.72 1fa7 s TYR 66 Cb -0.03 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1fa7 s TYR 66 CO 0.02 -0.17 0.18 -1.21 -1.11 0.00 0.00 175.55 173.26 1fa7 s GLU 67 N -3.74 2.79 0.38 -0.62 2.02 -1.26 -4.97 118.70 113.30 1fa7 s GLU 67 Ca 0.19 -1.09 0.07 0.00 0.02 0.00 0.00 54.97 54.16 1fa7 s GLU 67 Cb 0.02 -3.66 0.80 0.00 0.10 0.00 0.00 34.13 31.39 1fa7 s GLU 67 CO 0.12 -0.68 1.99 1.25 0.02 0.00 0.00 175.26 177.95 1fa7 h LEU 68 N 8.38 0.59 0.00 1.80 5.85 -1.99 -3.49 115.31 126.45 1fa7 h LEU 68 Ca -0.25 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.62 1fa7 h LEU 68 Cb 1.10 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1fa7 h LEU 68 CO 0.65 0.39 -0.21 0.61 -0.34 0.00 0.00 178.44 179.55 1fa7 n GLY 69 N -1.46 -1.88 0.16 3.75 0.00 -1.26 -4.68 105.19 99.82 1fa7 n GLY 69 Ca 0.09 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.87 1fa7 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa7 n THR 70 N -2.31 0.00 0.04 2.61 -2.24 -1.26 -4.77 114.28 106.35 1fa7 n THR 70 Ca 0.00 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1fa7 n THR 70 Cb 0.26 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1fa7 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fa7 h ALA 71 N 1.70 -0.20 -2.23 6.98 0.00 -2.02 -3.45 119.26 120.03 1fa7 h ALA 71 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 1fa7 h ALA 71 Cb 0.32 0.08 0.06 0.00 0.00 0.00 0.00 17.79 18.24 1fa7 h ALA 71 CO 0.00 -0.19 0.80 0.98 0.00 0.00 0.00 179.25 180.83 1fa7 n TYR 72 N -4.91 2.24 0.00 0.00 9.36 -1.26 -4.95 117.16 117.64 1fa7 n TYR 72 Ca -0.03 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.46 1fa7 n TYR 72 Cb 0.10 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.27 1fa7 n TYR 72 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fa7 n GLY 73 N 3.42 0.92 3.18 2.98 0.00 -1.26 -5.04 105.19 109.39 1fa7 n GLY 73 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1fa7 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fa7 n HIS 74 N -0.90 -0.55 -5.19 1.61 1.44 -1.26 -4.52 115.22 105.84 1fa7 n HIS 74 Ca 0.00 -0.69 -0.32 0.00 -2.01 0.00 0.00 57.72 54.70 1fa7 n HIS 74 Cb 0.00 0.32 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 1fa7 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fa7 s ILE 75 N -2.07 2.21 -0.14 0.61 1.01 -1.13 -4.98 121.20 116.71 1fa7 s ILE 75 Ca 0.23 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1fa7 s ILE 75 Cb -0.01 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1fa7 s ILE 75 CO 0.01 0.56 0.08 0.00 0.00 0.00 0.00 174.94 175.59 1fa7 s ALA 76 N -0.00 3.55 0.07 9.38 0.00 -1.26 -0.85 121.76 132.65 1fa7 s ALA 76 Ca -0.08 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1fa7 s ALA 76 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1fa7 s ALA 76 CO 0.05 0.42 -0.22 -0.51 0.00 0.00 0.00 175.76 175.50 1fa7 s LEU 77 N -0.37 2.21 0.24 0.00 1.43 0.31 -4.94 118.68 117.56 1fa7 s LEU 77 Ca 0.10 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1fa7 s LEU 77 Cb -0.12 -1.01 -0.08 0.00 0.03 0.00 0.00 46.19 45.01 1fa7 s LEU 77 CO 0.02 0.15 0.65 -0.94 0.23 0.00 0.00 176.35 176.46 1fa7 s SER 78 N -1.44 6.82 0.06 2.29 1.04 -1.26 -1.47 113.70 119.73 1fa7 s SER 78 Ca 0.08 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.71 1fa7 s SER 78 Cb -0.09 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1fa7 s SER 78 CO 0.03 -0.06 -0.06 0.68 0.98 0.00 0.00 173.24 174.81 1fa7 s VAL 79 N -1.73 0.51 -0.02 5.02 -7.23 -0.57 -4.88 120.40 111.51 1fa7 s VAL 79 Ca 0.47 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.02 1fa7 s VAL 79 Cb -0.13 -1.15 -0.31 0.00 0.56 0.00 0.00 36.38 35.36 1fa7 s VAL 79 CO 0.19 -0.69 0.80 0.44 -0.31 0.00 0.00 175.10 175.53 1fa7 h ASP 80 N 3.68 0.59 -2.88 4.85 3.45 -1.91 -1.94 116.42 122.26 1fa7 h ASP 80 Ca -0.35 -0.80 -0.57 0.00 0.43 0.00 0.00 57.03 55.74 1fa7 h ASP 80 Cb 1.18 -0.19 -0.40 0.00 -0.56 0.00 0.00 39.33 39.36 1fa7 h ASP 80 CO 0.54 1.66 -0.80 0.21 -1.57 0.00 0.00 179.24 179.29 1fa7 s ASN 81 N -7.25 3.43 0.21 6.45 3.04 -1.26 -4.64 114.94 114.93 1fa7 s ASN 81 Ca -0.12 -1.87 -0.09 0.00 0.04 0.00 0.00 52.86 50.81 1fa7 s ASN 81 Cb 0.06 -0.56 0.24 0.00 -1.54 0.00 0.00 41.25 39.45 1fa7 s ASN 81 CO 0.87 -0.36 1.83 0.00 -3.04 0.00 0.00 177.10 176.40 1fa7 h ALA 82 N 7.60 0.95 -0.50 1.71 0.00 -1.95 -1.24 119.26 125.82 1fa7 h ALA 82 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fa7 h ALA 82 Cb 0.98 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1fa7 h ALA 82 CO 0.39 0.14 0.31 0.00 0.00 0.00 0.00 179.25 180.09 1fa7 h ALA 83 N 1.34 0.64 -0.45 0.00 0.00 -1.95 -0.98 119.26 117.87 1fa7 h ALA 83 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1fa7 h ALA 83 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1fa7 h ALA 83 CO -0.16 0.11 0.23 1.49 0.00 0.00 0.00 179.25 180.92 1fa7 h GLU 84 N 0.68 0.64 -0.97 0.00 4.81 -1.89 -2.69 114.58 115.15 1fa7 h GLU 84 Ca 0.18 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1fa7 h GLU 84 Cb -0.03 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 1fa7 h GLU 84 CO -0.04 0.53 0.63 0.00 -0.73 0.00 0.00 179.01 179.41 1fa7 h ALA 85 N 1.07 1.31 -0.23 2.92 0.00 -0.85 -1.36 119.26 122.12 1fa7 h ALA 85 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1fa7 h ALA 85 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1fa7 h ALA 85 CO -0.02 0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1fa7 h GLU 87 N 0.17 0.33 0.04 0.00 4.39 -1.14 0.51 114.58 118.88 1fa7 h GLU 87 Ca 0.10 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1fa7 h GLU 87 Cb 0.08 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1fa7 h GLU 87 CO -0.11 0.34 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.66 1fa7 h LYS 88 N 0.24 -0.33 0.14 2.33 3.64 -1.05 -2.08 116.57 119.46 1fa7 h LYS 88 Ca 0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1fa7 h LYS 88 Cb 0.12 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1fa7 h LYS 88 CO -0.01 -0.22 -0.14 0.82 -2.27 0.00 0.00 179.45 177.63 1fa7 h ILE 89 N -0.34 0.68 -0.18 2.00 2.04 -0.69 -1.56 117.51 119.46 1fa7 h ILE 89 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1fa7 h ILE 89 Cb 0.39 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1fa7 h ILE 89 CO -0.15 0.00 0.17 0.08 0.00 0.00 0.00 178.15 178.24 1fa7 h ARG 90 N -0.31 0.00 -0.10 2.37 0.11 -0.80 0.31 114.38 115.95 1fa7 h ARG 90 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1fa7 h ARG 90 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1fa7 h ARG 90 CO -0.04 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.07 1fa7 n GLN 91 N -4.08 2.18 -3.16 0.08 6.02 -0.79 -4.61 117.38 113.01 1fa7 n GLN 91 Ca 0.02 -1.73 -0.19 0.00 -0.01 0.00 0.00 57.00 55.09 1fa7 n GLN 91 Cb 0.29 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1fa7 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fa7 n ASN 92 N 1.05 1.17 0.00 1.08 4.13 0.01 -4.94 115.26 117.77 1fa7 n ASN 92 Ca 0.16 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.35 1fa7 n ASN 92 Cb 0.53 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1fa7 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fa7 n GLY 93 N 0.23 1.55 0.97 7.41 0.00 -1.25 -4.90 105.19 109.20 1fa7 n GLY 93 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 1fa7 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa7 n GLY 94 N -2.00 2.70 3.26 -0.02 0.00 -0.69 -3.68 105.19 104.76 1fa7 n GLY 94 Ca 0.00 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1fa7 n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fa7 s ASN 95 N -1.84 -0.45 -0.24 1.61 2.47 -0.85 -4.42 114.94 111.22 1fa7 s ASN 95 Ca 0.10 0.82 -0.18 0.00 0.42 0.00 0.00 52.86 54.02 1fa7 s ASN 95 Cb -0.01 0.75 -0.03 0.00 -1.45 0.00 0.00 41.25 40.51 1fa7 s ASN 95 CO 0.06 -0.17 0.49 -0.69 -3.72 0.00 0.00 177.10 173.07 1fa7 s VAL 96 N 0.93 5.11 -0.16 -5.21 1.01 -1.26 0.43 120.40 121.24 1fa7 s VAL 96 Ca -0.06 0.85 0.17 0.00 0.00 0.00 0.00 61.98 62.94 1fa7 s VAL 96 Cb -0.06 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 1fa7 s VAL 96 CO -0.07 0.14 0.10 0.35 0.00 0.00 0.00 175.10 175.62 1fa7 n THR 97 N 4.87 1.12 -3.66 3.92 -2.24 0.02 -4.86 114.28 113.45 1fa7 n THR 97 Ca -0.05 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 1fa7 n THR 97 Cb 0.50 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 1fa7 n THR 97 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1fa7 s ARG 98 N -2.54 0.48 0.54 -0.78 3.00 -0.38 -4.95 118.95 114.32 1fa7 s ARG 98 Ca -0.09 -0.71 -0.19 0.00 -1.00 0.00 0.00 55.73 53.75 1fa7 s ARG 98 Cb 0.06 -1.70 -0.10 0.00 0.00 0.00 0.00 34.95 33.21 1fa7 s ARG 98 CO 0.75 -0.92 0.51 0.39 0.00 0.00 0.00 175.30 176.03 1fa7 n GLU 99 N 5.05 0.52 -1.89 5.12 -0.58 -1.26 -2.18 120.64 125.42 1fa7 n GLU 99 Ca -0.05 0.20 -0.41 0.00 -0.42 0.00 0.00 57.16 56.48 1fa7 n GLU 99 Cb 0.43 -1.64 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1fa7 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa7 s ALA 100 N -1.68 3.59 0.00 0.62 0.00 -1.26 -4.63 121.76 118.39 1fa7 s ALA 100 Ca 0.67 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1fa7 s ALA 100 Cb -0.48 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1fa7 s ALA 100 CO 0.56 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1fa7 n GLY 101 N 0.95 1.62 3.73 0.00 0.00 -0.62 -4.94 105.19 105.92 1fa7 n GLY 101 Ca 0.02 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1fa7 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa7 s PRO 102 N -2.00 2.30 0.29 1.61 0.04 -1.26 -1.25 135.00 134.73 1fa7 s PRO 102 Ca 0.00 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 1fa7 s PRO 102 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1fa7 s PRO 102 CO 0.00 -1.74 0.85 0.14 0.04 0.00 0.00 177.00 176.29 1fa7 s VAL 103 N -1.78 4.38 -0.01 -0.36 -7.23 -0.96 -4.86 120.40 109.58 1fa7 s VAL 103 Ca 0.77 1.56 -0.38 0.00 -1.81 0.00 0.00 61.98 62.12 1fa7 s VAL 103 Cb -0.32 -3.91 -0.17 0.00 0.56 0.00 0.00 36.38 32.55 1fa7 s VAL 103 CO 0.43 0.12 1.44 1.17 -0.31 0.00 0.00 175.10 177.95 1fa7 n LYS 104 N 0.50 1.12 -2.07 4.82 4.81 -1.26 -0.11 118.16 125.97 1fa7 n LYS 104 Ca 0.01 0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 57.74 1fa7 n LYS 104 Cb 0.51 -2.06 -0.01 0.00 0.02 0.00 0.00 35.03 33.49 1fa7 n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa7 n GLY 105 N 2.93 0.12 3.67 3.14 0.00 -1.26 -5.00 105.19 108.79 1fa7 n GLY 105 Ca 0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1fa7 n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fa7 s GLY 106 N -2.56 0.51 -0.01 -0.02 0.00 0.84 -5.05 107.32 101.03 1fa7 s GLY 106 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 43.97 1fa7 s GLY 106 CO 0.00 -0.51 0.27 -1.30 0.00 0.00 0.00 173.10 171.56 1fa7 n THR 107 N -0.45 0.00 -1.82 0.90 -2.24 -1.26 -4.10 114.28 105.30 1fa7 n THR 107 Ca -0.03 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1fa7 n THR 107 Cb 0.61 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1fa7 n THR 107 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1fa7 s THR 108 N -2.13 2.97 -0.01 4.28 2.01 -1.26 -4.73 115.64 116.77 1fa7 s THR 108 Ca 0.00 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 1fa7 s THR 108 Cb 0.06 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1fa7 s THR 108 CO 0.33 -0.01 0.81 -0.69 -0.69 0.00 0.00 174.62 174.38 1fa7 s VAL 109 N 3.26 4.88 0.08 3.82 1.01 -1.26 -2.28 120.40 129.90 1fa7 s VAL 109 Ca 0.79 1.71 -0.10 0.00 0.00 0.00 0.00 61.98 64.37 1fa7 s VAL 109 Cb -0.41 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.82 1fa7 s VAL 109 CO 0.35 0.26 0.23 0.27 0.00 0.00 0.00 175.10 176.21 1fa7 s ILE 110 N 0.58 0.12 0.13 2.22 -4.36 -0.38 -0.92 121.20 118.59 1fa7 s ILE 110 Ca 0.42 -0.99 -0.07 0.00 -0.26 0.00 0.00 60.65 59.76 1fa7 s ILE 110 Cb -0.20 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 1fa7 s ILE 110 CO 0.23 -0.55 0.20 0.00 0.24 0.00 0.00 174.94 175.06 1fa7 s ALA 111 N -3.40 0.15 -0.07 2.27 0.00 -0.24 -1.59 121.76 118.88 1fa7 s ALA 111 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1fa7 s ALA 111 Cb 0.03 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1fa7 s ALA 111 CO -0.09 -0.57 -0.14 -0.06 0.00 0.00 0.00 175.76 174.91 1fa7 s PHE 112 N -3.96 1.56 0.34 0.00 0.40 -0.93 0.21 117.98 115.62 1fa7 s PHE 112 Ca 0.15 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1fa7 s PHE 112 Cb 0.05 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1fa7 s PHE 112 CO -0.03 -0.28 0.12 0.14 0.70 0.00 0.00 175.22 175.88 1fa7 s VAL 113 N 0.58 0.61 -0.04 -0.44 -7.23 -0.36 -0.80 120.40 112.73 1fa7 s VAL 113 Ca -0.14 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1fa7 s VAL 113 Cb -0.16 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1fa7 s VAL 113 CO 0.04 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.06 1fa7 s GLU 114 N -3.81 1.64 0.48 4.82 2.02 0.17 -0.51 118.70 123.51 1fa7 s GLU 114 Ca 0.32 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.66 1fa7 s GLU 114 Cb 0.05 -1.45 0.12 0.00 0.10 0.00 0.00 34.13 32.95 1fa7 s GLU 114 CO 0.16 0.24 0.56 -0.40 0.02 0.00 0.00 175.26 175.83 1fa7 n ASP 115 N 3.13 -0.55 0.30 -0.19 3.85 0.02 -2.02 116.55 121.08 1fa7 n ASP 115 Ca -0.18 -1.05 0.16 0.00 -0.71 0.00 0.00 54.79 53.00 1fa7 n ASP 115 Cb 0.53 -0.46 0.93 0.00 -1.35 0.00 0.00 41.12 40.78 1fa7 n ASP 115 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1fa7 h PRO 116 N 0.00 0.00 -0.38 0.11 0.11 -1.91 -1.24 132.00 128.69 1fa7 h PRO 116 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1fa7 h PRO 116 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1fa7 h PRO 116 CO 0.13 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.67 1fa7 n ASP 117 N -3.81 3.01 0.00 -2.05 9.92 -1.26 -4.92 116.55 117.45 1fa7 n ASP 117 Ca -0.03 -1.93 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 1fa7 n ASP 117 Cb 0.09 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1fa7 n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fa7 n GLY 118 N 1.41 0.76 3.69 0.44 0.00 -0.47 -4.99 105.19 106.04 1fa7 n GLY 118 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1fa7 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa7 s TYR 119 N -2.67 2.73 0.18 1.61 1.51 -1.26 -4.60 117.35 114.85 1fa7 s TYR 119 Ca 0.00 0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 56.37 1fa7 s TYR 119 Cb 0.00 -3.81 -0.08 0.00 -0.11 0.00 0.00 41.96 37.95 1fa7 s TYR 119 CO 0.00 -3.11 1.31 0.15 -1.11 0.00 0.00 175.55 172.79 1fa7 s LYS 120 N 2.25 4.39 -0.09 -0.62 1.02 -1.26 -0.80 119.74 124.63 1fa7 s LYS 120 Ca 0.69 2.04 0.01 0.00 0.02 0.00 0.00 55.97 58.73 1fa7 s LYS 120 Cb -0.37 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 1fa7 s LYS 120 CO 0.30 -0.27 -0.12 0.42 -0.92 0.00 0.00 175.35 174.76 1fa7 s ILE 121 N 0.29 1.18 -0.12 2.17 1.01 0.33 -2.82 121.20 123.24 1fa7 s ILE 121 Ca 0.58 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1fa7 s ILE 121 Cb -0.36 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1fa7 s ILE 121 CO 0.37 0.38 0.37 -0.70 0.00 0.00 0.00 174.94 175.35 1fa7 s GLU 122 N 1.03 4.21 -0.26 2.79 2.12 -0.03 -1.22 118.70 127.34 1fa7 s GLU 122 Ca -0.07 0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 1fa7 s GLU 122 Cb -0.15 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1fa7 s GLU 122 CO -0.01 0.30 0.07 -0.51 -0.54 0.00 0.00 175.26 174.56 1fa7 s LEU 123 N 0.24 3.50 -0.21 2.70 1.43 0.13 -0.53 118.68 125.95 1fa7 s LEU 123 Ca 0.21 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1fa7 s LEU 123 Cb -0.14 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1fa7 s LEU 123 CO 0.07 -0.07 -0.07 -0.63 0.23 0.00 0.00 176.35 175.88 1fa7 s ILE 124 N 1.58 3.15 0.10 -0.59 1.01 -0.55 -1.08 121.20 124.83 1fa7 s ILE 124 Ca 0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1fa7 s ILE 124 Cb -0.16 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1fa7 s ILE 124 CO 0.03 0.45 1.15 -0.70 0.00 0.00 0.00 174.94 175.87 1fa7 s GLU 125 N 1.34 4.50 0.12 2.79 2.12 -0.10 -1.51 118.70 127.96 1fa7 s GLU 125 Ca 0.04 1.73 0.23 0.00 0.36 0.00 0.00 54.97 57.33 1fa7 s GLU 125 Cb -0.14 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 30.95 1fa7 s GLU 125 CO -0.04 -0.12 1.02 -0.85 -0.54 0.00 0.00 175.26 174.72 1fa7 n GLU 126 N 3.31 0.48 -1.02 4.30 0.28 -0.73 -4.62 120.64 122.64 1fa7 n GLU 126 Ca 0.06 0.05 -0.22 0.00 -0.16 0.00 0.00 57.16 56.89 1fa7 n GLU 126 Cb 0.47 -1.71 0.10 0.00 1.43 0.00 0.00 31.44 31.72 1fa7 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fa7 n GLY 134 N 1.26 4.44 0.00 -1.84 0.00 -1.26 -4.91 105.19 102.88 1fa7 n GLY 134 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1fa7 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48