#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgx h THR 10 N 0.00 0.30 -0.95 5.53 2.02 -2.06 -0.87 112.91 116.89 3fgx h THR 10 Ca 0.00 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.23 3fgx h THR 10 Cb 0.00 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 66.27 3fgx h THR 10 CO 0.00 0.05 -0.42 -0.78 0.37 0.00 0.00 175.52 174.74 3fgx h ASP 11 N 0.27 -1.55 -0.26 4.18 3.58 -2.06 0.13 116.42 120.71 3fgx h ASP 11 Ca 0.73 0.31 -0.19 0.00 0.42 0.00 0.00 57.03 58.30 3fgx h ASP 11 Cb 1.92 0.78 0.00 0.00 1.72 0.00 0.00 39.33 43.74 3fgx h ASP 11 CO -0.47 -0.28 -0.57 -0.33 -2.88 0.00 0.00 179.24 174.70 3fgx h GLU 12 N -0.02 0.84 -0.57 0.28 5.08 -1.61 -3.22 114.58 115.37 3fgx h GLU 12 Ca 0.30 -0.56 0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3fgx h GLU 12 Cb 0.56 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.78 3fgx h GLU 12 CO -0.94 1.19 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.96 3fgx h LEU 13 N 0.61 -0.79 0.29 1.33 3.38 -0.60 0.04 115.31 119.57 3fgx h LEU 13 Ca 0.00 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fgx h LEU 13 Cb 1.19 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3fgx h LEU 13 CO 0.13 -0.25 -0.24 0.50 0.09 0.00 0.00 178.44 178.66 3fgx h LYS 14 N -0.09 -0.53 -0.20 1.13 3.64 -1.16 -1.26 116.57 118.10 3fgx h LYS 14 Ca 0.26 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3fgx h LYS 14 Cb 0.49 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3fgx h LYS 14 CO -0.62 -0.35 -0.28 1.96 -2.27 0.00 0.00 179.45 177.88 3fgx h GLN 15 N -0.55 -0.20 -0.27 1.90 4.20 -1.36 0.36 115.11 119.19 3fgx h GLN 15 Ca -0.02 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3fgx h GLN 15 Cb 0.49 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3fgx h GLN 15 CO -0.02 -0.13 -0.25 -0.22 -0.67 0.00 0.00 178.83 177.53 3fgx h LYS 16 N -0.21 0.52 -0.00 1.46 3.64 -0.85 -3.10 116.57 118.04 3fgx h LYS 16 Ca 0.03 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3fgx h LYS 16 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3fgx h LYS 16 CO -0.29 0.74 -0.32 0.66 -2.27 0.00 0.00 179.45 177.96 3fgx n TYR 17 N -4.11 0.00 0.00 1.91 4.02 -0.49 -5.06 117.16 113.42 3fgx n TYR 17 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fgx n TYR 17 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3fgx n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fgx n GLY 18 N 1.05 1.42 2.94 2.72 0.00 0.13 -4.78 105.19 108.66 3fgx n GLY 18 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3fgx n GLY 18 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fgx s ARG 19 N 0.00 1.51 0.21 1.61 1.70 -1.26 -4.71 118.95 118.01 3fgx s ARG 19 Ca 0.00 -1.20 0.08 0.00 -0.47 0.00 0.00 55.73 54.14 3fgx s ARG 19 Cb 0.00 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 3fgx s ARG 19 CO 0.00 -0.72 0.03 0.08 -1.08 0.00 0.00 175.30 173.61 3fgx s VAL 20 N 1.31 3.75 -0.02 4.99 1.01 -1.26 -3.89 120.40 126.28 3fgx s VAL 20 Ca -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.43 3fgx s VAL 20 Cb -0.19 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3fgx s VAL 20 CO -0.09 -0.22 -0.06 -0.31 0.00 0.00 0.00 175.10 174.42 3fgx s TYR 21 N -1.96 0.69 -0.05 5.22 1.51 0.23 -4.89 117.35 118.11 3fgx s TYR 21 Ca 0.29 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 56.15 3fgx s TYR 21 Cb -0.08 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 3fgx s TYR 21 CO 0.20 -0.10 0.16 -2.00 -1.11 0.00 0.00 175.55 172.71 3fgx s GLU 22 N 0.34 3.43 -0.13 -0.62 -6.30 -1.26 -0.21 118.70 113.95 3fgx s GLU 22 Ca -0.04 -0.25 -0.04 0.00 -2.50 0.00 0.00 54.97 52.14 3fgx s GLU 22 Cb -0.09 -3.13 0.05 0.00 0.00 0.00 0.00 34.13 30.97 3fgx s GLU 22 CO 0.00 0.72 0.07 0.42 0.02 0.00 0.00 175.26 176.48 3fgx s ILE 23 N -1.21 0.04 0.33 -3.70 1.01 0.56 -4.98 121.20 113.26 3fgx s ILE 23 Ca 0.22 -0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 3fgx s ILE 23 Cb -0.12 -0.54 -0.10 0.00 0.01 0.00 0.00 42.46 41.71 3fgx s ILE 23 CO 0.13 -0.11 0.91 -0.13 0.00 0.00 0.00 174.94 175.73 3fgx s ARG 24 N 2.09 4.43 0.01 2.79 0.52 -1.26 -1.36 118.95 126.17 3fgx s ARG 24 Ca 0.03 1.19 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 3fgx s ARG 24 Cb -0.15 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 3fgx s ARG 24 CO -0.07 0.22 -0.01 0.42 0.02 0.00 0.00 175.30 175.87 3fgx s ILE 25 N -1.75 0.06 -0.11 1.52 1.01 0.28 -4.96 121.20 117.25 3fgx s ILE 25 Ca 0.52 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 3fgx s ILE 25 Cb -0.16 -0.13 0.05 0.00 0.01 0.00 0.00 42.46 42.23 3fgx s ILE 25 CO 0.21 -0.20 0.25 -1.61 0.00 0.00 0.00 174.94 173.58 3fgx s GLU 26 N -0.61 0.20 0.00 2.79 8.01 -1.26 -0.50 118.70 127.33 3fgx s GLU 26 Ca -0.06 0.55 0.00 0.00 0.01 0.00 0.00 54.97 55.47 3fgx s GLU 26 Cb -0.04 -0.11 0.00 0.00 -4.31 0.00 0.00 34.13 29.66 3fgx s GLU 26 CO -0.00 -0.17 0.00 0.41 0.01 0.00 0.00 175.26 175.50 3fgx n GLY 27 N 4.34 0.07 0.00 -1.39 0.00 -1.26 -5.04 105.19 101.91 3fgx n GLY 27 Ca -0.24 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3fgx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgx n ALA 36 N -1.09 1.68 -2.06 4.61 0.00 -1.26 -5.11 120.51 117.27 3fgx n ALA 36 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3fgx n ALA 36 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3fgx n ALA 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fgx s GLU 37 N 0.00 4.52 -0.00 0.00 2.12 -1.26 -5.01 118.70 119.07 3fgx s GLU 37 Ca 0.00 1.10 0.03 0.00 0.36 0.00 0.00 54.97 56.46 3fgx s GLU 37 Cb 0.00 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 3fgx s GLU 37 CO 0.00 0.54 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.11 3fgx s PHE 38 N -1.01 0.84 -0.17 5.30 0.40 0.34 -5.00 117.98 118.68 3fgx s PHE 38 Ca 0.35 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 3fgx s PHE 38 Cb -0.22 -0.54 0.05 0.00 0.51 0.00 0.00 43.02 42.82 3fgx s PHE 38 CO 0.25 -0.01 0.02 0.08 0.70 0.00 0.00 175.22 176.25 3fgx s VAL 39 N -0.31 0.58 0.30 -0.44 1.01 -1.26 0.10 120.40 120.37 3fgx s VAL 39 Ca 0.03 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3fgx s VAL 39 Cb -0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3fgx s VAL 39 CO -0.00 -0.07 0.02 -0.36 0.00 0.00 0.00 175.10 174.69 3fgx s PHE 40 N 1.85 2.64 0.05 5.22 0.40 -0.47 -4.93 117.98 122.74 3fgx s PHE 40 Ca 0.00 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3fgx s PHE 40 Cb -0.16 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 3fgx s PHE 40 CO -0.07 0.53 -0.13 0.71 0.70 0.00 0.00 175.22 176.97 3fgx s TYR 41 N -2.40 1.09 -0.01 0.36 1.51 -1.25 -0.32 117.35 116.32 3fgx s TYR 41 Ca 0.33 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3fgx s TYR 41 Cb -0.04 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3fgx s TYR 41 CO 0.20 0.02 0.04 -0.06 -1.11 0.00 0.00 175.55 174.64 3fgx s PHE 42 N -1.01 -0.01 0.44 2.71 0.40 0.71 -2.37 117.98 118.85 3fgx s PHE 42 Ca -0.01 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.11 3fgx s PHE 42 Cb -0.08 -0.01 -0.08 0.00 0.51 0.00 0.00 43.02 43.36 3fgx s PHE 42 CO 0.01 -0.05 1.31 0.99 0.70 0.00 0.00 175.22 178.18 3fgx s THR 43 N -0.20 2.54 0.23 0.64 2.01 -0.05 -0.60 115.64 120.21 3fgx s THR 43 Ca -0.02 0.46 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 3fgx s THR 43 Cb -0.02 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 3fgx s THR 43 CO 0.00 0.05 1.53 -0.60 -0.69 0.00 0.00 174.62 174.90 3fgx s ARG 44 N -2.43 4.21 0.72 4.92 3.52 -1.25 -4.84 118.95 123.80 3fgx s ARG 44 Ca 0.60 2.39 -0.15 0.00 -0.13 0.00 0.00 55.73 58.45 3fgx s ARG 44 Cb -0.38 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3fgx s ARG 44 CO 0.48 -0.54 1.18 -2.14 -0.81 0.00 0.00 175.30 173.47 3fgx s PRO 45 N 0.18 2.28 0.17 5.12 0.02 -1.26 -5.04 135.00 136.47 3fgx s PRO 45 Ca 0.64 1.66 0.09 0.00 0.02 0.00 0.00 61.00 63.41 3fgx s PRO 45 Cb -0.44 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 3fgx s PRO 45 CO 0.40 -1.70 -0.11 0.21 -0.33 0.00 0.00 177.00 175.47 3fgx s LYS 46 N -3.97 2.03 0.36 5.54 2.36 -1.26 -5.00 119.74 119.80 3fgx s LYS 46 Ca 0.72 -1.24 0.18 0.00 -2.55 0.00 0.00 55.97 53.08 3fgx s LYS 46 Cb -0.27 -2.16 1.26 0.00 -1.05 0.00 0.00 37.83 35.61 3fgx s LYS 46 CO 0.44 0.44 1.60 0.28 1.55 0.00 0.00 175.35 179.67 3fgx h VAL 47 N 2.88 0.06 -0.10 4.02 2.07 -1.99 0.68 116.25 123.88 3fgx h VAL 47 Ca -0.47 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3fgx h VAL 47 Cb 1.20 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3fgx h VAL 47 CO 0.53 0.01 0.03 0.28 0.02 0.00 0.00 177.57 178.44 3fgx h SER 48 N 0.07 0.03 -0.89 0.57 0.02 -2.00 0.57 113.55 111.92 3fgx h SER 48 Ca 0.81 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.92 3fgx h SER 48 Cb 2.06 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 64.54 3fgx h SER 48 CO -0.74 0.03 0.58 0.44 -1.14 0.00 0.00 176.83 176.00 3fgx h ASP 49 N 0.08 0.63 0.00 3.07 3.32 -0.05 -2.54 116.42 120.93 3fgx h ASP 49 Ca 0.04 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fgx h ASP 49 Cb 0.02 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3fgx h ASP 49 CO -0.05 0.31 -0.00 0.40 -1.72 0.00 0.00 179.24 178.18 3fgx h ILE 50 N 0.66 1.39 -0.61 0.35 2.04 -0.05 0.91 117.51 122.20 3fgx h ILE 50 Ca 0.45 -2.03 0.12 0.00 1.00 0.00 0.00 64.86 64.40 3fgx h ILE 50 Cb 0.77 2.61 -0.12 0.00 -0.74 0.00 0.00 36.82 39.35 3fgx h ILE 50 CO -0.21 0.47 -0.25 0.77 0.00 0.00 0.00 178.15 178.93 3fgx h SER 51 N -1.00 -0.88 -0.49 1.72 4.64 -1.01 0.59 113.55 117.12 3fgx h SER 51 Ca -0.00 0.21 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 3fgx h SER 51 Cb 0.77 0.49 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 3fgx h SER 51 CO 0.00 -0.27 0.03 -0.09 -0.87 0.00 0.00 176.83 175.63 3fgx h ARG 52 N -0.09 0.14 -0.95 4.77 2.43 -1.47 0.17 114.38 119.38 3fgx h ARG 52 Ca 0.27 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 3fgx h ARG 52 Cb 0.52 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.95 3fgx h ARG 52 CO -0.67 0.09 0.58 0.35 -1.51 0.00 0.00 179.97 178.81 3fgx h PHE 53 N 0.15 1.04 0.04 2.20 3.57 0.33 -2.51 116.94 121.75 3fgx h PHE 53 Ca 0.25 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.56 3fgx h PHE 53 Cb 0.36 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3fgx h PHE 53 CO -0.28 0.38 -1.01 1.15 -2.23 0.00 0.00 178.31 176.31 3fgx h THR 54 N 0.89 1.56 0.13 4.41 2.02 0.13 0.12 112.91 122.17 3fgx h THR 54 Ca 0.48 -2.96 -0.01 0.00 0.77 0.00 0.00 66.41 64.70 3fgx h THR 54 Cb 0.53 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3fgx h THR 54 CO -0.29 0.86 -0.06 0.11 0.37 0.00 0.00 175.52 176.51 3fgx h LYS 55 N 0.07 -0.17 -0.14 6.66 1.57 -0.55 -3.26 116.57 120.75 3fgx h LYS 55 Ca -0.06 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 3fgx h LYS 55 Cb 1.71 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.05 3fgx h LYS 55 CO 0.15 -0.03 -0.63 0.93 -0.57 0.00 0.00 179.45 179.30 3fgx h GLU 56 N -0.27 0.51 -1.39 3.15 5.08 -1.39 -3.27 114.58 116.99 3fgx h GLU 56 Ca -0.02 -0.36 0.42 0.00 -1.00 0.00 0.00 59.36 58.41 3fgx h GLU 56 Cb 0.22 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 3fgx h GLU 56 CO 0.03 0.97 0.95 1.25 -1.00 0.00 0.00 179.01 181.21 3fgx h LEU 57 N 0.37 0.17 0.03 1.33 5.85 -0.79 0.42 115.31 122.69 3fgx h LEU 57 Ca -0.01 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 3fgx h LEU 57 Cb 1.19 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3fgx h LEU 57 CO 0.11 -0.07 -0.95 0.78 -0.34 0.00 0.00 178.44 177.97 3fgx h ASN 58 N 0.09 0.10 0.19 1.25 4.21 -1.71 -3.25 115.58 116.47 3fgx h ASN 58 Ca 0.76 -0.74 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 3fgx h ASN 58 Cb 2.61 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 39.78 3fgx h ASN 58 CO -0.23 1.39 -0.09 -1.28 -1.29 0.00 0.00 177.43 175.93 3fgx h SER 59 N -0.81 -0.22 -2.46 5.81 0.87 -0.70 -3.40 113.55 112.64 3fgx h SER 59 Ca -0.24 -0.28 -0.60 0.00 -1.23 0.00 0.00 61.79 59.44 3fgx h SER 59 Cb 1.34 0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.96 3fgx h SER 59 CO -0.08 0.32 -0.79 0.29 -0.53 0.00 0.00 176.83 176.04 3fgx n LYS 60 N -4.95 1.39 0.16 2.24 5.02 0.11 -4.97 118.16 117.17 3fgx n LYS 60 Ca -0.07 -3.96 0.19 0.00 -2.02 0.00 0.00 58.31 52.44 3fgx n LYS 60 Cb 0.24 -1.91 0.79 0.00 -0.02 0.00 0.00 35.03 34.14 3fgx n LYS 60 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3fgx h PRO 61 N 4.84 0.00 -0.35 1.97 0.13 -1.47 0.24 132.00 137.36 3fgx h PRO 61 Ca 0.18 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.36 3fgx h PRO 61 Cb 0.79 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.84 3fgx h PRO 61 CO 0.61 0.00 -0.51 0.38 -0.23 0.00 0.00 178.00 178.25 3fgx h ASP 62 N 0.00 -1.68 0.76 1.44 3.04 -1.89 -2.83 116.42 115.25 3fgx h ASP 62 Ca 0.13 0.23 -0.25 0.00 -3.24 0.00 0.00 57.03 53.90 3fgx h ASP 62 Cb 0.78 0.70 -0.04 0.00 -1.04 0.00 0.00 39.33 39.73 3fgx h ASP 62 CO -0.00 -0.41 -1.34 0.24 -2.04 0.00 0.00 179.24 175.69 3fgx h MET 63 N -0.41 0.00 -0.94 4.15 2.86 -1.55 -2.23 114.93 116.81 3fgx h MET 63 Ca 0.09 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.89 3fgx h MET 63 Cb 0.61 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.11 3fgx h MET 63 CO -0.56 0.72 -0.30 0.00 1.06 0.00 0.00 176.91 177.83 3fgx n ALA 64 N -2.45 0.05 0.02 6.32 0.00 0.71 -1.02 120.51 124.14 3fgx n ALA 64 Ca -0.08 0.98 -0.19 0.00 0.00 0.00 0.00 53.44 54.15 3fgx n ALA 64 Cb 0.99 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 3fgx n ALA 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3fgx h MET 65 N 0.00 0.36 0.06 0.00 2.86 -1.36 -2.81 114.93 114.04 3fgx h MET 65 Ca 0.39 -0.47 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3fgx h MET 65 Cb 0.62 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3fgx h MET 65 CO -0.95 1.16 -0.16 -0.22 1.06 0.00 0.00 176.91 177.81 3fgx h LYS 66 N -0.22 -0.28 -0.05 1.72 3.64 -1.18 -2.56 116.57 117.64 3fgx h LYS 66 Ca -0.10 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 3fgx h LYS 66 Cb 1.46 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 3fgx h LYS 66 CO 0.13 -0.19 -0.69 -0.91 -2.27 0.00 0.00 179.45 175.53 3fgx h ASN 67 N -0.29 0.28 0.62 4.20 2.35 -1.16 -0.20 115.58 121.37 3fgx h ASN 67 Ca 0.03 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 3fgx h ASN 67 Cb 0.33 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3fgx h ASN 67 CO -0.11 0.88 -0.32 0.25 -1.65 0.00 0.00 177.43 176.48 3fgx h LEU 68 N 0.16 -0.76 -0.82 1.61 5.85 -1.51 -0.74 115.31 119.09 3fgx h LEU 68 Ca -0.02 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.92 3fgx h LEU 68 Cb 1.23 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 42.35 3fgx h LEU 68 CO 0.11 -0.52 0.30 0.74 -0.34 0.00 0.00 178.44 178.72 3fgx h THR 69 N -0.85 0.51 0.00 1.05 2.02 -1.29 0.80 112.91 115.15 3fgx h THR 69 Ca -0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3fgx h THR 69 Cb 0.66 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3fgx h THR 69 CO 0.13 0.07 -0.13 -0.26 0.37 0.00 0.00 175.52 175.69 3fgx h PHE 70 N 0.36 0.00 -0.43 3.16 0.04 -0.96 -1.34 116.94 117.77 3fgx h PHE 70 Ca 0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.26 3fgx h PHE 70 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3fgx h PHE 70 CO -0.19 0.13 0.00 -1.13 -0.60 0.00 0.00 178.31 176.52 3fgx n SER 71 N -3.21 2.82 0.00 2.17 3.41 0.25 -4.08 113.62 114.99 3fgx n SER 71 Ca 0.01 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3fgx n SER 71 Cb 0.45 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3fgx n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fgx n ILE 73 N -0.88 0.17 -1.68 0.00 0.13 -0.54 -0.87 119.36 115.68 3fgx n ILE 73 Ca 0.00 -0.04 -0.43 0.00 -1.10 0.00 0.00 62.75 61.17 3fgx n ILE 73 Cb 0.04 -1.09 -0.03 0.00 -0.84 0.00 0.00 39.64 37.72 3fgx n ILE 73 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 3fgx n VAL 74 N 2.63 0.40 0.13 9.51 0.24 -1.00 -4.79 118.33 125.45 3fgx n VAL 74 Ca 0.17 -0.07 0.19 0.00 -2.04 0.00 0.00 64.34 62.59 3fgx n VAL 74 Cb 0.24 -2.05 0.76 0.00 -1.47 0.00 0.00 33.84 31.31 3fgx n VAL 74 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3fgx h PRO 75 N 8.59 0.00 -0.07 7.34 0.13 -1.93 1.97 132.00 148.03 3fgx h PRO 75 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 3fgx h PRO 75 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 3fgx h PRO 75 CO 0.94 0.00 -0.42 1.49 -0.23 0.00 0.00 178.00 179.78 3fgx h GLU 76 N 0.00 -0.51 -0.06 0.86 4.57 -1.99 -2.58 114.58 114.87 3fgx h GLU 76 Ca 0.16 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3fgx h GLU 76 Cb 1.00 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3fgx h GLU 76 CO -0.00 -0.34 0.00 0.94 -1.18 0.00 0.00 179.01 178.43 3fgx n GLN 77 N -5.44 1.18 0.29 1.92 7.27 0.67 -4.33 117.38 118.94 3fgx n GLN 77 Ca -0.05 -0.28 0.17 0.00 0.07 0.00 0.00 57.00 56.91 3fgx n GLN 77 Cb 0.37 -1.20 0.90 0.00 2.41 0.00 0.00 30.24 32.71 3fgx n GLN 77 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3fgx h GLU 78 N 0.51 0.00 0.00 3.69 4.81 -1.16 -3.08 114.58 119.35 3fgx h GLU 78 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3fgx h GLU 78 Cb 0.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3fgx h GLU 78 CO 0.00 0.05 -0.47 1.49 -0.73 0.00 0.00 179.01 179.35 3fgx h GLU 79 N 0.00 0.00 -1.27 1.92 4.57 -1.83 -2.65 114.58 115.32 3fgx h GLU 79 Ca -0.00 0.00 0.45 0.00 -1.18 0.00 0.00 59.36 58.63 3fgx h GLU 79 Cb 0.22 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.67 3fgx h GLU 79 CO 0.01 0.87 0.79 1.49 -1.18 0.00 0.00 179.01 180.99 3fgx h GLU 80 N -1.00 0.03 -0.09 1.92 4.81 -1.88 0.56 114.58 118.94 3fgx h GLU 80 Ca -0.12 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 3fgx h GLU 80 Cb 1.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3fgx h GLU 80 CO -0.07 0.02 -0.38 1.25 -0.73 0.00 0.00 179.01 179.10 3fgx h LEU 81 N 0.03 0.48 -1.06 1.64 5.85 -1.63 -1.08 115.31 119.55 3fgx h LEU 81 Ca 0.86 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3fgx h LEU 81 Cb 2.62 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 43.48 3fgx h LEU 81 CO -0.53 1.04 0.13 0.03 -0.34 0.00 0.00 178.44 178.76 3fgx h ARG 82 N -0.04 0.80 0.01 1.25 3.08 0.33 -0.03 114.38 119.77 3fgx h ARG 82 Ca -0.02 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3fgx h ARG 82 Cb 1.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3fgx h ARG 82 CO 0.08 0.72 -0.07 0.37 -1.07 0.00 0.00 179.97 180.00 3fgx h GLN 83 N 0.77 -0.12 -0.28 0.04 4.15 -0.64 -2.93 115.11 116.10 3fgx h GLN 83 Ca 0.17 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.43 3fgx h GLN 83 Cb 0.29 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3fgx h GLN 83 CO -0.00 -0.08 -0.47 0.00 -1.93 0.00 0.00 178.83 176.35 3fgx h ALA 84 N 0.85 0.44 -0.11 3.38 0.00 -0.48 0.15 119.26 123.49 3fgx h ALA 84 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3fgx h ALA 84 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fgx h ALA 84 CO -0.07 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.81 3fgx h ALA 85 N 0.67 0.14 0.14 0.00 0.00 -1.11 2.15 119.26 121.26 3fgx h ALA 85 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fgx h ALA 85 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3fgx h ALA 85 CO 0.11 -0.24 -0.16 1.49 0.00 0.00 0.00 179.25 180.44 3fgx h GLU 86 N -0.02 -0.33 0.00 0.00 4.57 -1.52 0.62 114.58 117.90 3fgx h GLU 86 Ca 0.03 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3fgx h GLU 86 Cb 0.22 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3fgx h GLU 86 CO -0.00 -0.22 0.00 0.93 -1.18 0.00 0.00 179.01 178.54 3fgx h GLU 87 N -0.34 0.00 -2.18 1.92 5.08 -0.58 -3.28 114.58 115.20 3fgx h GLU 87 Ca 0.01 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.82 3fgx h GLU 87 Cb 0.33 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.22 3fgx h GLU 87 CO -0.06 0.00 -0.96 1.19 -1.00 0.00 0.00 179.01 178.19 3fgx n PHE 88 N -2.87 -1.10 -1.08 4.33 3.01 0.72 -5.03 117.46 115.45 3fgx n PHE 88 Ca -0.01 -3.18 -0.35 0.00 1.01 0.00 0.00 57.45 54.92 3fgx n PHE 88 Cb 0.16 0.28 0.09 0.00 -0.01 0.00 0.00 39.48 40.00 3fgx n PHE 88 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fgx n PRO 89 N 2.61 0.08 -0.65 -1.08 -0.04 0.21 -1.94 135.00 134.19 3fgx n PRO 89 Ca 0.27 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3fgx n PRO 89 Cb 0.50 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3fgx n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgx n GLY 90 N 1.47 0.98 0.08 0.55 0.00 -1.26 -4.91 105.19 102.10 3fgx n GLY 90 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3fgx n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fgx h LEU 91 N 0.00 0.10 -1.70 0.99 5.85 -1.68 -3.27 115.31 115.59 3fgx h LEU 91 Ca 0.00 -0.75 -0.04 0.00 0.84 0.00 0.00 57.88 57.93 3fgx h LEU 91 Cb 0.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3fgx h LEU 91 CO 0.00 0.83 -0.18 0.71 -0.34 0.00 0.00 178.44 179.46 3fgx h THR 92 N -0.63 0.90 -0.93 1.05 1.35 -1.90 0.97 112.91 113.72 3fgx h THR 92 Ca -0.01 -0.68 0.19 0.00 -0.55 0.00 0.00 66.41 65.36 3fgx h THR 92 Cb 0.84 1.39 -0.18 0.00 -1.73 0.00 0.00 68.15 68.48 3fgx h THR 92 CO 0.02 0.18 -0.21 0.15 -0.25 0.00 0.00 175.52 175.41 3fgx h PHE 93 N 0.00 -0.45 -0.27 4.73 3.57 -1.87 0.18 116.94 122.84 3fgx h PHE 93 Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3fgx h PHE 93 Cb 0.38 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3fgx h PHE 93 CO 0.00 -0.40 0.17 -0.97 -2.23 0.00 0.00 178.31 174.88 3fgx h ASN 94 N 0.00 0.31 0.00 0.41 -1.24 -0.89 -3.08 115.58 111.10 3fgx h ASN 94 Ca 0.46 -0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.29 3fgx h ASN 94 Cb 0.72 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 3fgx h ASN 94 CO -0.95 0.25 -0.79 0.71 -1.29 0.00 0.00 177.43 175.36 3fgx h THR 95 N 0.35 1.20 -0.55 -3.57 1.35 -1.38 -2.96 112.91 107.35 3fgx h THR 95 Ca 0.10 -2.20 0.10 0.00 -0.55 0.00 0.00 66.41 63.85 3fgx h THR 95 Cb -0.01 2.57 -0.10 0.00 -1.73 0.00 0.00 68.15 68.88 3fgx h THR 95 CO -0.02 0.41 -0.17 0.00 -0.25 0.00 0.00 175.52 175.49 3fgx n ALA 96 N -3.13 0.05 0.02 6.62 0.00 0.60 0.11 120.51 124.77 3fgx n ALA 96 Ca -0.24 0.59 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 3fgx n ALA 96 Cb 0.60 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 3fgx n ALA 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fgx h SER 97 N 0.00 -0.01 -0.51 0.00 0.87 -1.57 -1.55 113.55 110.79 3fgx h SER 97 Ca 0.24 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3fgx h SER 97 Cb 0.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3fgx h SER 97 CO -0.56 0.22 0.23 -0.09 -0.53 0.00 0.00 176.83 176.10 3fgx h ARG 98 N -0.24 0.78 0.14 2.24 9.65 -0.24 0.93 114.38 127.64 3fgx h ARG 98 Ca -0.00 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3fgx h ARG 98 Cb 0.23 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3fgx h ARG 98 CO 0.00 0.63 -0.07 -0.07 2.80 0.00 0.00 179.97 183.26 3fgx h LEU 99 N 0.77 -0.16 -0.17 3.80 3.38 0.91 -1.19 115.31 122.65 3fgx h LEU 99 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3fgx h LEU 99 Cb 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fgx h LEU 99 CO -0.02 -0.01 0.05 0.24 0.09 0.00 0.00 178.44 178.79 3fgx h MET 100 N -0.30 0.27 -0.95 1.13 2.86 -0.44 0.31 114.93 117.82 3fgx h MET 100 Ca -0.02 -0.06 0.27 0.00 -2.06 0.00 0.00 59.70 57.84 3fgx h MET 100 Cb 0.24 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3fgx h MET 100 CO 0.03 0.39 0.84 0.93 1.06 0.00 0.00 176.91 180.16 3fgx h GLU 101 N 0.10 0.00 0.11 1.72 5.08 0.94 0.24 114.58 122.77 3fgx h GLU 101 Ca 0.05 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 3fgx h GLU 101 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3fgx h GLU 101 CO -0.00 0.00 -1.47 0.97 -1.00 0.00 0.00 179.01 177.51 3fgx h ILE 102 N 0.00 1.23 0.03 3.13 6.09 0.87 -3.35 117.51 125.50 3fgx h ILE 102 Ca 0.45 -2.86 -0.25 0.00 -1.37 0.00 0.00 64.86 60.83 3fgx h ILE 102 Cb 2.13 2.79 0.01 0.00 0.47 0.00 0.00 36.82 42.22 3fgx h ILE 102 CO -0.00 0.83 -1.03 -0.37 -3.07 0.00 0.00 178.15 174.50 3fgx h VAL 103 N 0.06 1.38 0.00 2.19 -1.51 0.30 -3.47 116.25 115.20 3fgx h VAL 103 Ca -0.22 -2.49 0.00 0.00 -1.23 0.00 0.00 66.70 62.77 3fgx h VAL 103 Cb 2.00 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 33.66 3fgx h VAL 103 CO 0.17 0.75 0.00 0.61 -1.23 0.00 0.00 177.57 177.86 3fgx n GLY 104 N 1.08 0.02 3.56 5.19 0.00 -0.27 -5.10 105.19 109.69 3fgx n GLY 104 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3fgx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgx s ALA 105 N 0.00 2.06 0.03 4.61 0.00 -0.85 -4.84 121.76 122.77 3fgx s ALA 105 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3fgx s ALA 105 Cb 0.00 -4.26 0.02 0.00 0.00 0.00 0.00 23.12 18.88 3fgx s ALA 105 CO 0.00 -3.88 0.22 0.43 0.00 0.00 0.00 175.76 172.53 3fgx n SER 106 N 13.93 -0.35 -4.73 0.00 7.64 -1.26 -3.08 113.62 125.77 3fgx n SER 106 Ca 0.30 -1.17 -0.42 0.00 1.01 0.00 0.00 58.87 58.59 3fgx n SER 106 Cb 0.52 0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 64.27 3fgx n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fgx n ALA 107 N -2.54 1.98 -3.95 -0.43 0.00 -1.26 -5.06 120.51 109.25 3fgx n ALA 107 Ca -0.03 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 3fgx n ALA 107 Cb 0.12 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 3fgx n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgx n ALA 108 N 1.48 0.19 -2.37 0.00 0.00 -1.26 -5.19 120.51 113.36 3fgx n ALA 108 Ca 0.07 -1.48 -0.19 0.00 0.00 0.00 0.00 53.44 51.85 3fgx n ALA 108 Cb 0.36 1.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.90 3fgx n ALA 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fgx s THR 109 N -2.94 0.83 -0.03 0.00 2.01 -1.26 -5.18 115.64 109.07 3fgx s THR 109 Ca 0.29 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.03 3fgx s THR 109 Cb 0.00 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 69.88 3fgx s THR 109 CO 0.20 -0.01 0.56 -0.44 -0.69 0.00 0.00 174.62 174.24 3fgx s SER 110 N -3.38 -0.50 -0.19 3.53 0.01 -1.26 -5.17 113.70 106.75 3fgx s SER 110 Ca 0.37 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.00 3fgx s SER 110 Cb 0.08 0.47 0.06 0.00 0.21 0.00 0.00 66.02 66.84 3fgx s SER 110 CO 0.14 -0.57 0.46 -0.76 0.41 0.00 0.00 173.24 172.91 3fgx s LEU 111 N -1.31 -0.17 0.00 2.44 1.02 -1.26 -5.41 118.68 113.99 3fgx s LEU 111 Ca -0.11 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.02 3fgx s LEU 111 Cb -0.02 1.52 0.00 0.00 0.02 0.00 0.00 46.19 47.72 3fgx s LEU 111 CO 0.07 -0.20 0.00 0.29 0.02 0.00 0.00 176.35 176.54