#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvg s ILE 28 N 0.00 5.02 0.46 -0.18 1.01 -1.26 -4.53 121.20 121.71 1fvg s ILE 28 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 60.65 61.69 1fvg s ILE 28 Cb 0.00 -3.97 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 1fvg s ILE 28 CO 0.00 0.13 0.50 0.55 0.00 0.00 0.00 174.94 176.12 1fvg n VAL 29 N 4.52 1.75 -1.85 2.92 3.14 -1.26 -4.94 118.33 122.62 1fvg n VAL 29 Ca -0.01 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.56 1fvg n VAL 29 Cb 0.50 -0.54 0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1fvg n VAL 29 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1fvg s SER 30 N -0.99 5.98 0.29 6.55 1.04 -1.26 -4.85 113.70 120.46 1fvg s SER 30 Ca 0.64 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.42 1fvg s SER 30 Cb -0.56 -2.35 0.43 0.00 0.10 0.00 0.00 66.02 63.63 1fvg s SER 30 CO 0.58 -1.02 1.93 -0.65 0.98 0.00 0.00 173.24 175.06 1fvg h PRO 31 N -0.43 1.04 0.00 4.02 0.11 -1.96 -0.31 132.00 134.47 1fvg h PRO 31 Ca -0.44 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1fvg h PRO 31 Cb 1.21 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1fvg h PRO 31 CO 0.62 0.73 -0.22 -0.56 -0.21 0.00 0.00 178.00 178.36 1fvg h GLN 32 N 1.06 0.00 0.00 1.05 -0.00 -2.02 -3.11 115.11 112.08 1fvg h GLN 32 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1fvg h GLN 32 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1fvg h GLN 32 CO -0.05 0.22 -0.87 0.39 -0.00 0.00 0.00 178.83 178.52 1fvg n GLU 33 N -3.29 0.33 -1.70 0.06 1.02 -0.58 -4.94 120.64 111.55 1fvg n GLU 33 Ca 0.01 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 1fvg n GLU 33 Cb 0.49 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1fvg n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fvg n ALA 34 N -1.87 1.45 -1.75 0.62 0.00 -0.23 -4.91 120.51 113.82 1fvg n ALA 34 Ca 0.02 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 1fvg n ALA 34 Cb 0.45 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.64 1fvg n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fvg s LEU 35 N -0.43 3.80 0.33 0.00 1.43 -0.38 -4.95 118.68 118.47 1fvg s LEU 35 Ca 0.63 2.63 0.14 0.00 -1.03 0.00 0.00 54.13 56.49 1fvg s LEU 35 Cb -0.59 -4.37 0.55 0.00 0.03 0.00 0.00 46.19 41.81 1fvg s LEU 35 CO 0.54 -1.56 1.70 1.55 0.23 0.00 0.00 176.35 178.81 1fvg h PRO 36 N 1.30 0.00 0.00 1.29 0.13 -1.92 -3.36 132.00 129.44 1fvg h PRO 36 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1fvg h PRO 36 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1fvg h PRO 36 CO 0.57 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 1fvg n GLY 37 N 0.06 0.62 3.72 1.56 0.00 -1.26 -4.24 105.19 105.64 1fvg n GLY 37 Ca -0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 1fvg n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fvg s ARG 38 N 0.00 1.34 0.04 1.61 1.70 -0.80 -4.97 118.95 117.88 1fvg s ARG 38 Ca 0.00 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1fvg s ARG 38 Cb 0.00 0.49 -0.25 0.00 -0.57 0.00 0.00 34.95 34.61 1fvg s ARG 38 CO 0.00 -0.61 0.99 0.87 -1.08 0.00 0.00 175.30 175.48 1fvg h LYS 39 N 2.00 0.15 -6.33 3.89 1.57 -1.92 -3.37 116.57 112.56 1fvg h LYS 39 Ca -0.23 -0.26 -0.55 0.00 -1.87 0.00 0.00 60.65 57.73 1fvg h LYS 39 Cb 1.25 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1fvg h LYS 39 CO 0.27 1.02 0.67 -1.21 -0.57 0.00 0.00 179.45 179.62 1fvg s GLU 40 N -2.65 4.37 0.44 3.15 2.02 -1.26 -4.99 118.70 119.79 1fvg s GLU 40 Ca -0.05 1.65 -0.21 0.00 0.02 0.00 0.00 54.97 56.38 1fvg s GLU 40 Cb 0.08 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.68 1fvg s GLU 40 CO 0.85 -0.41 0.99 -2.14 0.02 0.00 0.00 175.26 174.57 1fvg s PRO 41 N 2.06 4.07 0.71 0.39 0.02 -1.26 -4.87 135.00 136.12 1fvg s PRO 41 Ca 0.55 1.27 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 1fvg s PRO 41 Cb -0.24 -2.22 0.03 0.00 0.02 0.00 0.00 34.50 32.09 1fvg s PRO 41 CO 0.22 -0.18 1.17 -0.51 -0.33 0.00 0.00 177.00 177.37 1fvg s LEU 42 N -3.19 3.32 -0.11 -5.54 1.43 -1.26 -5.01 118.68 108.32 1fvg s LEU 42 Ca 0.63 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.94 1fvg s LEU 42 Cb -0.14 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 1fvg s LEU 42 CO 0.18 -2.08 -0.06 -0.69 0.23 0.00 0.00 176.35 173.93 1fvg s VAL 43 N -2.14 3.78 0.27 -1.59 1.01 -1.26 -4.95 120.40 115.53 1fvg s VAL 43 Ca 0.71 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1fvg s VAL 43 Cb -0.26 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1fvg s VAL 43 CO 0.44 0.55 0.08 0.68 0.00 0.00 0.00 175.10 176.85 1fvg s VAL 44 N -0.23 0.78 0.44 2.92 -7.23 -1.26 -4.19 120.40 111.63 1fvg s VAL 44 Ca 0.04 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 1fvg s VAL 44 Cb -0.13 -2.65 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 1fvg s VAL 44 CO 0.02 -0.03 1.28 0.00 -0.31 0.00 0.00 175.10 176.06 1fvg s ALA 45 N -3.59 3.12 -0.97 1.32 0.00 -1.26 -4.93 121.76 115.44 1fvg s ALA 45 Ca 0.36 1.17 0.28 0.00 0.00 0.00 0.00 51.96 53.78 1fvg s ALA 45 Cb 0.08 -3.47 1.11 0.00 0.00 0.00 0.00 23.12 20.83 1fvg s ALA 45 CO 0.14 -0.86 1.85 0.00 0.00 0.00 0.00 175.76 176.89 1fvg n ALA 46 N -0.19 2.48 -2.59 0.00 0.00 -1.26 -4.70 120.51 114.25 1fvg n ALA 46 Ca 0.06 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1fvg n ALA 46 Cb 0.45 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1fvg n ALA 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fvg s LYS 47 N -3.01 2.50 0.27 0.00 3.01 -1.26 -2.01 119.74 119.24 1fvg s LYS 47 Ca 0.13 -0.84 -0.30 0.00 -1.01 0.00 0.00 55.97 53.95 1fvg s LYS 47 Cb 0.18 -2.22 -0.10 0.00 -1.01 0.00 0.00 37.83 34.68 1fvg s LYS 47 CO 0.56 0.47 1.41 -1.58 0.51 0.00 0.00 175.35 176.72 1fvg s HIS 48 N -0.37 3.02 0.41 3.18 2.46 0.11 -4.88 115.29 119.23 1fvg s HIS 48 Ca 0.03 1.12 0.17 0.00 0.47 0.00 0.00 55.06 56.85 1fvg s HIS 48 Cb -0.12 -3.79 1.04 0.00 -0.13 0.00 0.00 32.58 29.57 1fvg s HIS 48 CO 0.02 -2.48 1.97 1.25 -2.47 0.00 0.00 174.74 173.03 1fvg h HIS 49 N 4.62 0.00 0.00 3.88 2.76 -1.91 -0.89 115.15 123.61 1fvg h HIS 49 Ca -0.47 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.68 1fvg h HIS 49 Cb 1.22 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.18 1fvg h HIS 49 CO 0.59 0.22 -0.29 0.28 -1.30 0.00 0.00 177.93 177.42 1fvg h VAL 50 N 0.00 0.27 -0.16 5.26 2.07 -1.94 -3.43 116.25 118.32 1fvg h VAL 50 Ca -0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1fvg h VAL 50 Cb 0.42 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1fvg h VAL 50 CO 0.03 0.09 0.00 -0.46 0.02 0.00 0.00 177.57 177.25 1fvg n ASN 51 N -4.67 2.47 0.00 0.57 0.23 -1.25 -4.99 115.26 107.62 1fvg n ASN 51 Ca -0.06 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 1fvg n ASN 51 Cb 0.20 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1fvg n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fvg n GLY 52 N 0.75 0.44 3.76 4.83 0.00 -0.34 -4.94 105.19 109.69 1fvg n GLY 52 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1fvg n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fvg s ASN 53 N -2.37 3.81 0.35 1.61 0.01 -1.26 -4.27 114.94 112.82 1fvg s ASN 53 Ca 0.00 1.30 -0.28 0.00 -0.71 0.00 0.00 52.86 53.17 1fvg s ASN 53 Cb 0.00 -1.99 -0.11 0.00 0.41 0.00 0.00 41.25 39.57 1fvg s ASN 53 CO 0.00 -2.40 1.43 -0.60 -1.51 0.00 0.00 177.10 174.02 1fvg s ARG 54 N -5.08 4.20 0.00 -0.60 3.52 -1.26 0.08 118.95 119.81 1fvg s ARG 54 Ca 0.63 2.44 0.11 0.00 -0.13 0.00 0.00 55.73 58.78 1fvg s ARG 54 Cb -0.16 -3.01 0.06 0.00 -1.56 0.00 0.00 34.95 30.28 1fvg s ARG 54 CO 0.55 -0.42 0.79 0.25 -0.81 0.00 0.00 175.30 175.66 1fvg n THR 55 N 0.76 0.00 -4.16 4.11 -2.24 -0.85 -4.78 114.28 107.12 1fvg n THR 55 Ca 0.01 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1fvg n THR 55 Cb 0.40 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 1fvg n THR 55 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1fvg s VAL 56 N -1.07 0.75 0.66 2.28 -7.23 -1.26 -4.92 120.40 109.61 1fvg s VAL 56 Ca 0.12 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 1fvg s VAL 56 Cb 0.09 -1.50 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 1fvg s VAL 56 CO 0.18 -0.75 1.27 -1.61 -0.31 0.00 0.00 175.10 173.88 1fvg s GLU 57 N -3.36 2.49 0.39 4.82 2.02 -1.26 -4.35 118.70 119.46 1fvg s GLU 57 Ca 0.08 1.99 -0.04 0.00 0.02 0.00 0.00 54.97 57.03 1fvg s GLU 57 Cb 0.02 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1fvg s GLU 57 CO -0.03 -1.63 0.66 -1.25 0.02 0.00 0.00 175.26 173.03 1fvg s PRO 58 N -3.47 3.56 0.50 0.39 0.04 -1.26 -5.18 135.00 129.57 1fvg s PRO 58 Ca 0.81 0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.89 1fvg s PRO 58 Cb -0.35 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.68 1fvg s PRO 58 CO 0.40 0.01 0.69 -0.06 0.04 0.00 0.00 177.00 178.08 1fvg s PHE 59 N -2.44 2.77 0.36 0.56 0.40 -1.26 -5.02 117.98 113.35 1fvg s PHE 59 Ca 0.44 -0.21 -0.27 0.00 -0.60 0.00 0.00 56.93 56.30 1fvg s PHE 59 Cb -0.10 -2.58 -0.12 0.00 0.51 0.00 0.00 43.02 40.73 1fvg s PHE 59 CO 0.38 -0.69 1.12 -2.30 0.70 0.00 0.00 175.22 174.42 1fvg n PRO 60 N -2.13 1.65 -1.67 0.24 -0.02 -1.26 -4.86 135.00 126.95 1fvg n PRO 60 Ca 0.08 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 1fvg n PRO 60 Cb 0.59 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1fvg n PRO 60 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1fvg n GLU 61 N 0.43 2.05 0.00 -0.52 2.13 -1.26 -1.58 120.64 121.89 1fvg n GLU 61 Ca 0.08 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1fvg n GLU 61 Cb 0.36 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1fvg n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fvg n GLY 62 N 1.95 3.28 3.81 8.31 0.00 -1.26 -5.05 105.19 116.22 1fvg n GLY 62 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1fvg n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fvg s THR 63 N -3.00 3.71 0.00 2.61 -4.23 -0.62 -4.49 115.64 109.63 1fvg s THR 63 Ca 0.00 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1fvg s THR 63 Cb 0.00 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1fvg s THR 63 CO 0.00 -0.72 0.00 0.00 -0.54 0.00 0.00 174.62 173.36 1fvg n GLN 64 N -3.27 2.01 -3.65 3.99 6.02 0.72 -4.94 117.38 118.26 1fvg n GLN 64 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1fvg n GLN 64 Cb 0.54 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.74 1fvg n GLN 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fvg s ALA 66 N -2.00 -2.20 -0.12 -1.58 0.00 -0.50 -0.33 121.76 115.04 1fvg s ALA 66 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1fvg s ALA 66 Cb 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1fvg s ALA 66 CO 0.00 -0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.58 1fvg s VAL 67 N -0.40 1.27 0.00 0.00 1.01 -1.25 0.10 120.40 121.13 1fvg s VAL 67 Ca 0.09 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1fvg s VAL 67 Cb -0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1fvg s VAL 67 CO -0.13 0.40 -0.14 -0.36 0.00 0.00 0.00 175.10 174.87 1fvg s PHE 68 N 1.39 1.24 0.22 5.22 0.40 -0.14 -1.30 117.98 125.01 1fvg s PHE 68 Ca 0.00 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1fvg s PHE 68 Cb -0.13 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1fvg s PHE 68 CO -0.06 -0.00 0.07 0.20 0.70 0.00 0.00 175.22 176.13 1fvg s GLY 69 N -0.55 1.62 0.00 4.36 0.00 0.11 -0.31 107.32 112.55 1fvg s GLY 69 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1fvg s GLY 69 CO -0.00 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.25 1fvg n GLY 71 N -0.63 0.03 3.69 0.20 0.00 -1.21 -0.68 105.19 106.58 1fvg n GLY 71 Ca -0.08 -1.35 -0.52 0.00 0.00 0.00 0.00 46.02 44.07 1fvg n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvg n PHE 73 N 5.66 0.77 0.15 0.00 1.16 -1.26 -3.08 117.46 120.85 1fvg n PHE 73 Ca 0.24 0.34 -0.14 0.00 -1.87 0.00 0.00 57.45 56.01 1fvg n PHE 73 Cb 0.22 -1.04 -0.08 0.00 -1.61 0.00 0.00 39.48 36.97 1fvg n PHE 73 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 1fvg h TRP 74 N 0.00 -0.31 -0.16 2.97 6.55 -1.92 -1.20 115.95 121.88 1fvg h TRP 74 Ca 0.00 -0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.72 1fvg h TRP 74 Cb 0.22 0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 1fvg h TRP 74 CO 0.00 -0.07 -0.39 0.78 -1.05 0.00 0.00 178.44 177.71 1fvg h GLY 75 N -0.51 0.38 0.97 1.49 0.00 -1.95 -3.00 103.07 100.45 1fvg h GLY 75 Ca -0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1fvg h GLY 75 CO 0.06 0.32 0.13 0.00 0.00 0.00 0.00 176.54 177.05 1fvg h ALA 76 N 1.30 0.28 -0.92 3.60 0.00 -1.47 -2.79 119.26 119.25 1fvg h ALA 76 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fvg h ALA 76 Cb 0.82 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1fvg h ALA 76 CO 0.07 -0.22 0.52 1.49 0.00 0.00 0.00 179.25 181.10 1fvg h GLU 77 N 0.27 1.27 0.00 0.00 4.81 -1.08 -1.50 114.58 118.35 1fvg h GLU 77 Ca 0.08 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1fvg h GLU 77 Cb 0.01 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1fvg h GLU 77 CO -0.01 0.92 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.07 1fvg h ARG 78 N 1.28 0.00 0.00 1.92 2.43 -1.43 -0.96 114.38 117.62 1fvg h ARG 78 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1fvg h ARG 78 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1fvg h ARG 78 CO -0.06 0.03 0.00 0.87 -1.51 0.00 0.00 179.97 179.30 1fvg h LYS 79 N 0.00 0.00 0.00 0.20 1.57 -1.00 -3.31 116.57 114.03 1fvg h LYS 79 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1fvg h LYS 79 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1fvg h LYS 79 CO 0.00 0.00 -1.84 1.19 -0.57 0.00 0.00 179.45 178.24 1fvg n PHE 80 N -2.93 0.00 0.29 -1.35 3.01 -0.41 -4.64 117.46 111.42 1fvg n PHE 80 Ca -0.00 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.64 1fvg n PHE 80 Cb 0.23 -0.58 0.97 0.00 -0.01 0.00 0.00 39.48 40.09 1fvg n PHE 80 CO 0.00 0.00 0.00 0.11 1.01 0.00 0.00 176.76 177.88 1fvg h TRP 81 N 0.00 0.00 -0.01 1.38 0.09 -1.53 -2.04 115.95 113.83 1fvg h TRP 81 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.65 1fvg h TRP 81 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.87 1fvg h TRP 81 CO 0.01 0.00 -0.15 0.25 0.09 0.00 0.00 178.44 178.64 1fvg n THR 82 N -3.37 0.00 -2.71 0.12 -2.24 -1.26 -4.94 114.28 99.88 1fvg n THR 82 Ca -0.01 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 1fvg n THR 82 Cb 0.23 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 1fvg n THR 82 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fvg s LEU 83 N -2.24 4.34 0.45 3.22 1.43 -0.77 -5.02 118.68 120.10 1fvg s LEU 83 Ca 0.29 1.92 -0.25 0.00 -1.03 0.00 0.00 54.13 55.06 1fvg s LEU 83 Cb 0.20 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1fvg s LEU 83 CO 0.43 -0.14 1.41 0.29 0.23 0.00 0.00 176.35 178.57 1fvg n LYS 84 N 0.57 2.20 0.00 1.70 5.02 -1.26 -2.30 118.16 124.09 1fvg n LYS 84 Ca 0.02 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1fvg n LYS 84 Cb 0.49 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 1fvg n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fvg n GLY 85 N 0.61 2.36 3.49 0.72 0.00 -1.26 -4.60 105.19 106.51 1fvg n GLY 85 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1fvg n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fvg s VAL 86 N -2.70 4.89 0.02 1.61 1.01 -0.97 -0.37 120.40 123.89 1fvg s VAL 86 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1fvg s VAL 86 Cb 0.00 -4.20 -0.21 0.00 0.00 0.00 0.00 36.38 31.98 1fvg s VAL 86 CO 0.00 -0.62 1.16 0.22 0.00 0.00 0.00 175.10 175.87 1fvg h TYR 87 N 8.88 0.62 -3.32 5.22 3.20 -1.21 -3.46 116.97 126.90 1fvg h TYR 87 Ca -0.26 -0.30 -0.03 0.00 3.14 0.00 0.00 58.73 61.28 1fvg h TYR 87 Cb 1.10 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 1fvg h TYR 87 CO 0.71 1.09 0.02 0.45 -1.64 0.00 0.00 178.16 178.79 1fvg s SER 88 N -6.67 -0.26 0.04 -2.11 0.15 -1.02 -4.77 113.70 99.06 1fvg s SER 88 Ca -0.13 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.03 1fvg s SER 88 Cb 0.04 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1fvg s SER 88 CO 0.82 -1.03 0.01 0.42 1.20 0.00 0.00 173.24 174.65 1fvg s THR 89 N -3.87 0.17 0.10 6.45 -4.23 -1.26 -0.42 115.64 112.59 1fvg s THR 89 Ca 0.09 -1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1fvg s THR 89 Cb -0.01 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1fvg s THR 89 CO -0.04 -0.79 0.17 -1.10 -0.54 0.00 0.00 174.62 172.32 1fvg s GLN 90 N -3.11 0.89 0.14 3.99 1.11 -0.65 -4.92 119.66 117.11 1fvg s GLN 90 Ca -0.01 -1.09 0.10 0.00 0.01 0.00 0.00 55.36 54.38 1fvg s GLN 90 Cb 0.02 0.32 -0.04 0.00 -1.01 0.00 0.00 33.01 32.30 1fvg s GLN 90 CO -0.07 -0.28 -0.25 0.14 0.01 0.00 0.00 175.29 174.84 1fvg s VAL 91 N -3.91 2.17 0.00 1.09 -7.23 -1.26 -0.56 120.40 110.70 1fvg s VAL 91 Ca 0.10 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1fvg s VAL 91 Cb 0.05 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1fvg s VAL 91 CO -0.07 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1fvg n GLY 92 N 0.79 1.64 3.03 2.32 0.00 0.53 -1.58 105.19 111.94 1fvg n GLY 92 Ca -0.17 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1fvg n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fvg s PHE 93 N -2.09 1.12 0.19 1.61 2.99 0.11 -0.63 117.98 121.28 1fvg s PHE 93 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 56.93 56.44 1fvg s PHE 93 Cb 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 43.02 42.28 1fvg s PHE 93 CO 0.00 -0.11 0.58 0.00 -0.00 0.00 0.00 175.22 175.69 1fvg s ALA 94 N 0.15 -1.26 0.00 5.36 0.00 -0.73 -0.87 121.76 124.41 1fvg s ALA 94 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1fvg s ALA 94 Cb -0.09 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1fvg s ALA 94 CO 0.01 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1fvg n GLY 95 N -0.37 0.72 0.00 0.00 0.00 -1.26 -0.33 105.19 103.94 1fvg n GLY 95 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1fvg n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fvg n GLY 96 N -2.46 4.65 0.66 -0.02 0.00 -1.24 -4.59 105.19 102.19 1fvg n GLY 96 Ca 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 1fvg n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fvg n TYR 97 N 0.00 0.00 -1.69 1.61 4.02 0.84 -4.82 117.16 117.12 1fvg n TYR 97 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 57.90 57.36 1fvg n TYR 97 Cb 0.00 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 38.98 1fvg n TYR 97 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1fvg n THR 98 N -3.74 0.38 -2.62 -0.72 -1.04 -1.19 -4.93 114.28 100.42 1fvg n THR 98 Ca -0.12 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.44 1fvg n THR 98 Cb 0.38 -1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1fvg n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1fvg s PRO 99 N 3.36 4.48 -1.27 -2.82 0.04 -1.26 -3.91 135.00 133.62 1fvg s PRO 99 Ca 0.94 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 63.29 1fvg s PRO 99 Cb -0.88 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 30.81 1fvg s PRO 99 CO 0.57 0.14 0.58 0.09 0.04 0.00 0.00 177.00 178.41 1fvg n ASN 100 N 0.60 -3.17 -4.85 6.66 3.02 -1.26 -1.90 115.26 114.36 1fvg n ASN 100 Ca 0.02 -1.19 -0.32 0.00 -0.03 0.00 0.00 54.58 53.07 1fvg n ASN 100 Cb 0.48 -2.29 -0.01 0.00 -0.61 0.00 0.00 39.78 37.35 1fvg n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1fvg s PRO 101 N -6.93 3.66 0.37 3.52 0.04 -1.25 -4.34 135.00 130.06 1fvg s PRO 101 Ca 0.35 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 1fvg s PRO 101 Cb -0.17 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1fvg s PRO 101 CO 0.94 -0.51 0.59 0.95 0.04 0.00 0.00 177.00 179.01 1fvg s THR 102 N -2.85 5.06 0.30 1.26 -4.23 -1.26 -4.94 115.64 108.98 1fvg s THR 102 Ca 0.58 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1fvg s THR 102 Cb -0.11 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.15 1fvg s THR 102 CO 0.42 -0.60 1.91 0.22 -0.54 0.00 0.00 174.62 176.04 1fvg h TYR 103 N 0.72 1.06 -0.57 3.99 3.20 -1.97 -0.93 116.97 122.47 1fvg h TYR 103 Ca -0.49 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.43 1fvg h TYR 103 Cb 1.21 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1fvg h TYR 103 CO 0.53 0.55 0.35 -0.22 -1.64 0.00 0.00 178.16 177.73 1fvg h LYS 104 N 1.04 0.66 -0.08 1.82 3.64 -1.98 -0.04 116.57 121.62 1fvg h LYS 104 Ca 0.39 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1fvg h LYS 104 Cb 0.19 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1fvg h LYS 104 CO -0.15 0.44 0.04 0.93 -2.27 0.00 0.00 179.45 178.44 1fvg h GLU 105 N 0.68 0.11 -0.59 1.90 5.08 -1.75 -1.88 114.58 118.14 1fvg h GLU 105 Ca 0.23 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1fvg h GLU 105 Cb 0.03 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1fvg h GLU 105 CO -0.10 0.18 0.31 0.28 -1.00 0.00 0.00 179.01 178.68 1fvg h VAL 106 N 0.02 0.94 0.00 3.13 2.07 -0.71 -1.20 116.25 120.51 1fvg h VAL 106 Ca 0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1fvg h VAL 106 Cb 0.10 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1fvg h VAL 106 CO -0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1fvg h SER 108 N 0.00 0.00 0.00 0.00 4.64 -0.39 -3.46 113.55 114.34 1fvg h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fvg h SER 108 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1fvg h SER 108 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1fvg n GLY 109 N 0.77 1.49 0.52 -0.77 0.00 -0.26 -4.91 105.19 102.02 1fvg n GLY 109 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1fvg n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fvg n LYS 110 N -2.00 1.66 -0.00 1.61 5.02 -1.25 -4.04 118.16 119.16 1fvg n LYS 110 Ca 0.00 -0.89 0.06 0.00 -2.02 0.00 0.00 58.31 55.46 1fvg n LYS 110 Cb 0.00 -1.27 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1fvg n LYS 110 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fvg n THR 111 N 0.21 0.00 0.00 -0.18 -2.24 -1.26 -1.25 114.28 109.55 1fvg n THR 111 Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1fvg n THR 111 Cb 0.25 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1fvg n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fvg n GLY 112 N 1.72 2.94 3.82 3.38 0.00 -1.26 -0.11 105.19 115.68 1fvg n GLY 112 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1fvg n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fvg s HIS 113 N -2.74 3.13 0.01 1.61 3.76 -1.26 -3.66 115.29 116.14 1fvg s HIS 113 Ca 0.00 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.34 1fvg s HIS 113 Cb 0.00 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1fvg s HIS 113 CO 0.00 -1.21 0.04 0.00 -0.85 0.00 0.00 174.74 172.72 1fvg s ALA 114 N -3.04 3.44 0.06 -1.40 0.00 0.55 -3.82 121.76 117.55 1fvg s ALA 114 Ca 0.58 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 1fvg s ALA 114 Cb -0.14 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 1fvg s ALA 114 CO 0.55 0.68 1.27 -1.21 0.00 0.00 0.00 175.76 177.04 1fvg s GLU 115 N -1.72 4.39 0.15 0.00 2.02 0.90 -1.77 118.70 122.65 1fvg s GLU 115 Ca 0.22 1.86 0.01 0.00 0.02 0.00 0.00 54.97 57.08 1fvg s GLU 115 Cb -0.12 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 1fvg s GLU 115 CO 0.13 -0.34 0.01 0.14 0.02 0.00 0.00 175.26 175.21 1fvg s VAL 116 N 1.25 0.52 -0.09 2.63 -7.23 0.20 -4.47 120.40 113.21 1fvg s VAL 116 Ca 0.61 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1fvg s VAL 116 Cb -0.31 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1fvg s VAL 116 CO 0.29 -0.54 -0.17 0.54 -0.31 0.00 0.00 175.10 174.90 1fvg s VAL 117 N -3.76 2.75 -0.18 1.32 0.11 0.58 -0.34 120.40 120.88 1fvg s VAL 117 Ca 0.22 -0.80 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1fvg s VAL 117 Cb 0.06 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 1fvg s VAL 117 CO 0.02 0.56 0.05 -0.60 -3.33 0.00 0.00 175.10 171.79 1fvg s ARG 118 N -0.11 3.92 -0.19 1.54 3.52 0.28 -0.97 118.95 126.94 1fvg s ARG 118 Ca -0.03 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1fvg s ARG 118 Cb -0.14 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1fvg s ARG 118 CO 0.04 0.28 -0.12 0.08 -0.81 0.00 0.00 175.30 174.77 1fvg s VAL 119 N 0.33 2.76 -0.30 7.11 1.01 0.12 -1.64 120.40 129.78 1fvg s VAL 119 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1fvg s VAL 119 Cb -0.13 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1fvg s VAL 119 CO 0.00 0.48 0.23 -0.69 0.00 0.00 0.00 175.10 175.13 1fvg s VAL 120 N 1.30 5.28 0.15 2.92 1.01 0.44 -1.41 120.40 130.09 1fvg s VAL 120 Ca 0.04 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1fvg s VAL 120 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1fvg s VAL 120 CO -0.07 0.14 -0.05 0.72 0.00 0.00 0.00 175.10 175.85 1fvg s PHE 121 N 1.79 1.18 -0.49 5.22 -0.12 0.56 -0.64 117.98 125.48 1fvg s PHE 121 Ca 0.08 -0.90 -0.14 0.00 -0.05 0.00 0.00 56.93 55.92 1fvg s PHE 121 Cb -0.16 -0.65 0.10 0.00 -0.63 0.00 0.00 43.02 41.67 1fvg s PHE 121 CO 0.11 -0.08 0.40 -1.14 -0.05 0.00 0.00 175.22 174.46 1fvg s GLN 122 N -3.83 2.86 0.58 1.99 2.00 0.50 -0.20 119.66 123.56 1fvg s GLN 122 Ca 0.19 -1.55 0.28 0.00 -2.00 0.00 0.00 55.36 52.28 1fvg s GLN 122 Cb 0.05 -4.11 1.56 0.00 0.80 0.00 0.00 33.01 31.31 1fvg s GLN 122 CO 0.01 -1.14 2.04 -1.35 -0.50 0.00 0.00 175.29 174.35 1fvg h PRO 123 N 8.71 0.00 0.00 1.67 0.11 -1.79 0.39 132.00 141.09 1fvg h PRO 123 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1fvg h PRO 123 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fvg h PRO 123 CO 0.91 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1fvg n GLU 124 N -3.89 0.07 -0.01 1.05 1.02 -1.26 -3.50 120.64 114.12 1fvg n GLU 124 Ca 0.04 0.16 0.01 0.00 -0.02 0.00 0.00 57.16 57.34 1fvg n GLU 124 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 1fvg n GLU 124 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fvg n HIS 125 N -1.44 0.00 -3.68 -0.32 8.25 0.12 -4.98 115.22 113.17 1fvg n HIS 125 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 1fvg n HIS 125 Cb 0.20 -0.19 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 1fvg n HIS 125 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1fvg s ILE 126 N -2.30 -0.13 0.50 1.59 2.07 -0.38 -4.49 121.20 118.06 1fvg s ILE 126 Ca -0.02 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 1fvg s ILE 126 Cb 0.03 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1fvg s ILE 126 CO 0.24 0.03 0.84 -0.94 -1.91 0.00 0.00 174.94 173.20 1fvg s SER 127 N 1.64 6.30 0.30 4.50 1.04 -1.26 -3.73 113.70 122.49 1fvg s SER 127 Ca -0.09 1.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.42 1fvg s SER 127 Cb -0.08 -2.31 0.48 0.00 0.10 0.00 0.00 66.02 64.20 1fvg s SER 127 CO -0.14 -0.61 1.93 0.15 0.98 0.00 0.00 173.24 175.54 1fvg h PHE 128 N 0.29 1.06 -0.81 5.02 3.57 -1.97 -0.55 116.94 123.56 1fvg h PHE 128 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 1fvg h PHE 128 Cb 1.20 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1fvg h PHE 128 CO 0.60 0.60 0.47 0.93 -2.23 0.00 0.00 178.31 178.68 1fvg h GLU 129 N 1.09 1.10 -0.85 1.11 3.07 -1.96 0.04 114.58 118.17 1fvg h GLU 129 Ca 0.36 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1fvg h GLU 129 Cb 0.08 -0.23 -0.04 0.00 -0.84 0.00 0.00 28.75 27.72 1fvg h GLU 129 CO -0.12 0.79 0.44 0.93 -1.40 0.00 0.00 179.01 179.66 1fvg h GLU 130 N 1.11 1.21 -0.37 2.33 5.08 -1.56 -1.45 114.58 120.92 1fvg h GLU 130 Ca 0.29 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1fvg h GLU 130 Cb -0.01 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1fvg h GLU 130 CO -0.05 0.90 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.67 1fvg h LEU 131 N 1.20 0.63 -0.98 1.33 3.38 -0.28 -2.44 115.31 118.17 1fvg h LEU 131 Ca 0.30 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1fvg h LEU 131 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1fvg h LEU 131 CO -0.04 0.78 0.21 -0.07 0.09 0.00 0.00 178.44 179.41 1fvg h LEU 132 N 0.59 0.88 -0.33 1.67 3.38 -0.29 -1.21 115.31 120.01 1fvg h LEU 132 Ca 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fvg h LEU 132 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1fvg h LEU 132 CO 0.03 0.82 0.20 0.50 0.09 0.00 0.00 178.44 180.09 1fvg h LYS 133 N 0.93 0.44 -0.22 1.13 3.64 -0.84 0.14 116.57 121.79 1fvg h LYS 133 Ca 0.21 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1fvg h LYS 133 Cb 0.25 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1fvg h LYS 133 CO -0.01 0.32 0.04 0.28 -2.27 0.00 0.00 179.45 177.82 1fvg h VAL 134 N 0.43 0.90 -0.05 2.00 2.07 -1.02 -2.24 116.25 118.34 1fvg h VAL 134 Ca 0.12 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1fvg h VAL 134 Cb -0.01 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1fvg h VAL 134 CO -0.02 0.02 -0.26 0.15 0.02 0.00 0.00 177.57 177.49 1fvg h PHE 135 N 0.13 -0.69 -0.61 1.57 3.57 -0.70 -2.11 116.94 118.10 1fvg h PHE 135 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1fvg h PHE 135 Cb 0.10 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1fvg h PHE 135 CO -0.15 -0.34 0.34 -1.49 -2.23 0.00 0.00 178.31 174.44 1fvg h TRP 136 N -0.37 0.83 -0.00 0.41 4.06 -0.77 -2.76 115.95 117.36 1fvg h TRP 136 Ca 0.08 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1fvg h TRP 136 Cb 0.48 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1fvg h TRP 136 CO -0.32 0.59 -0.02 -0.85 -3.56 0.00 0.00 178.44 174.28 1fvg n GLU 137 N -4.57 0.95 -0.17 0.49 0.28 -0.86 -3.85 120.64 112.91 1fvg n GLU 137 Ca 0.04 -0.21 0.06 0.00 -0.16 0.00 0.00 57.16 56.89 1fvg n GLU 137 Cb 0.08 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.59 1fvg n GLU 137 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1fvg n ASN 138 N -0.84 2.76 -3.70 -1.84 3.02 -0.80 -5.01 115.26 108.84 1fvg n ASN 138 Ca 0.20 -2.50 -0.09 0.00 -0.03 0.00 0.00 54.58 52.16 1fvg n ASN 138 Cb 0.21 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1fvg n ASN 138 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1fvg s HIS 139 N -1.88 -0.24 -0.46 3.10 -3.43 -1.23 -5.06 115.29 106.09 1fvg s HIS 139 Ca 0.23 -0.10 -0.18 0.00 -0.80 0.00 0.00 55.06 54.21 1fvg s HIS 139 Cb 0.18 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 31.91 1fvg s HIS 139 CO 0.07 -1.02 0.51 0.34 -2.00 0.00 0.00 174.74 172.64 1fvg s ASP 140 N -2.86 6.21 -0.05 7.38 -1.08 -1.26 -4.89 116.67 120.11 1fvg s ASP 140 Ca 0.08 -0.83 0.04 0.00 -0.52 0.00 0.00 52.55 51.32 1fvg s ASP 140 Cb -0.03 -2.25 0.21 0.00 -1.46 0.00 0.00 42.92 39.39 1fvg s ASP 140 CO -0.02 -0.71 0.86 -0.81 0.52 0.00 0.00 175.17 175.01 1fvg n PRO 141 N 5.77 1.94 -0.03 4.34 -0.04 -1.26 -3.91 135.00 141.81 1fvg n PRO 141 Ca -0.07 -0.79 0.04 0.00 -0.04 0.00 0.00 63.50 62.63 1fvg n PRO 141 Cb 0.46 -1.63 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1fvg n PRO 141 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fvg n THR 142 N 0.15 1.31 1.37 0.52 -2.24 -1.26 0.14 114.28 114.27 1fvg n THR 142 Ca 0.07 -1.45 0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1fvg n THR 142 Cb 0.45 0.23 0.45 0.00 -2.10 0.00 0.00 70.33 69.37 1fvg n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fvg n GLN 143 N -0.84 1.75 0.00 -0.78 6.02 -1.25 -4.73 117.38 117.55 1fvg n GLN 143 Ca 0.06 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 1fvg n GLN 143 Cb 0.40 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1fvg n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fvg n GLY 144 N 1.19 0.41 1.32 1.08 0.00 -1.26 -4.84 105.19 103.10 1fvg n GLY 144 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1fvg n GLY 144 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fvg n ARG 146 N 0.00 -2.88 -3.51 1.61 0.63 -1.25 -4.34 116.66 106.93 1fvg n ARG 146 Ca 0.00 2.35 -0.23 0.00 -0.92 0.00 0.00 57.85 59.05 1fvg n ARG 146 Cb 0.00 -3.39 -0.14 0.00 0.45 0.00 0.00 32.46 29.38 1fvg n ARG 146 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1fvg s GLN 147 N -4.55 0.19 7.55 -0.14 2.00 0.15 -4.68 119.66 120.18 1fvg s GLN 147 Ca 0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 1fvg s GLN 147 Cb 0.00 -1.20 0.00 0.00 0.80 0.00 0.00 33.01 32.61 1fvg s GLN 147 CO 0.00 -0.84 0.00 0.41 -0.50 0.00 0.00 175.29 174.36 1fvg n GLY 148 N 5.29 3.80 0.04 2.59 0.00 -1.26 -0.58 105.19 115.06 1fvg n GLY 148 Ca -0.05 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1fvg n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fvg n ASN 149 N 6.01 0.11 -4.57 1.61 3.02 -1.26 -4.70 115.26 115.48 1fvg n ASN 149 Ca 0.00 -1.12 -0.40 0.00 -0.03 0.00 0.00 54.58 53.03 1fvg n ASN 149 Cb 0.00 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1fvg n ASN 149 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1fvg s ASP 150 N -1.91 6.17 -0.14 6.41 1.01 0.26 -5.05 116.67 123.41 1fvg s ASP 150 Ca 0.43 -0.06 -0.05 0.00 0.71 0.00 0.00 52.55 53.58 1fvg s ASP 150 Cb 0.20 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1fvg s ASP 150 CO 0.33 -0.24 0.03 -1.00 0.21 0.00 0.00 175.17 174.50 1fvg s HIS 151 N 1.97 3.21 0.00 4.23 3.76 -1.26 0.33 115.29 127.53 1fvg s HIS 151 Ca 0.12 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1fvg s HIS 151 Cb -0.16 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1fvg s HIS 151 CO 0.11 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 1fvg n GLY 152 N 2.96 4.60 0.32 -2.22 0.00 -1.26 -4.90 105.19 104.69 1fvg n GLY 152 Ca -0.18 -1.31 0.19 0.00 0.00 0.00 0.00 46.02 44.72 1fvg n GLY 152 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fvg h SER 153 N 0.00 0.00 0.35 1.61 4.64 -1.92 -1.27 113.55 116.96 1fvg h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fvg h SER 153 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fvg h SER 153 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1fvg n GLN 154 N -3.47 0.29 -0.18 4.77 0.00 -1.25 -2.46 117.38 115.07 1fvg n GLN 154 Ca -0.03 0.10 0.06 0.00 0.00 0.00 0.00 57.00 57.14 1fvg n GLN 154 Cb 0.10 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.01 1fvg n GLN 154 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fvg n TYR 155 N -1.28 0.49 -1.93 2.61 4.02 -0.48 -0.07 117.16 120.51 1fvg n TYR 155 Ca 0.09 -0.46 -0.35 0.00 -0.01 0.00 0.00 57.90 57.18 1fvg n TYR 155 Cb 0.15 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 39.49 1fvg n TYR 155 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1fvg s ARG 156 N -1.01 2.91 0.31 -0.72 1.70 -1.03 -3.35 118.95 117.76 1fvg s ARG 156 Ca 0.26 1.67 -0.29 0.00 -0.47 0.00 0.00 55.73 56.90 1fvg s ARG 156 Cb 0.14 -1.94 -0.10 0.00 -0.57 0.00 0.00 34.95 32.48 1fvg s ARG 156 CO 0.18 -1.22 1.18 0.45 -1.08 0.00 0.00 175.30 174.81 1fvg s SER 157 N -1.91 7.02 0.02 -2.89 0.15 -1.26 -4.41 113.70 110.42 1fvg s SER 157 Ca 0.74 2.42 -0.28 0.00 0.70 0.00 0.00 55.95 59.53 1fvg s SER 157 Cb -0.26 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.49 1fvg s SER 157 CO 0.35 -0.33 0.71 0.00 1.20 0.00 0.00 173.24 175.17 1fvg s ALA 158 N -1.19 -1.73 -0.05 5.45 0.00 0.14 -0.71 121.76 123.67 1fvg s ALA 158 Ca 0.47 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1fvg s ALA 158 Cb -0.34 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1fvg s ALA 158 CO 0.45 -0.55 0.03 0.42 0.00 0.00 0.00 175.76 176.10 1fvg s ILE 159 N -2.39 0.15 -0.64 0.00 1.01 -0.24 0.07 121.20 119.16 1fvg s ILE 159 Ca -0.03 0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.91 1fvg s ILE 159 Cb -0.01 -0.34 0.15 0.00 0.01 0.00 0.00 42.46 42.28 1fvg s ILE 159 CO -0.02 0.21 0.41 -0.31 0.00 0.00 0.00 174.94 175.23 1fvg s TYR 160 N 1.96 3.43 0.56 3.97 4.12 -0.42 -2.30 117.35 128.67 1fvg s TYR 160 Ca 0.03 -3.26 -0.21 0.00 0.02 0.00 0.00 57.07 53.66 1fvg s TYR 160 Cb -0.12 -2.78 -0.04 0.00 -1.52 0.00 0.00 41.96 37.50 1fvg s TYR 160 CO -0.04 -0.63 1.31 -1.25 0.02 0.00 0.00 175.55 174.96 1fvg s PRO 161 N -0.97 3.05 -0.03 -1.71 0.05 -1.23 -3.87 135.00 130.29 1fvg s PRO 161 Ca 0.22 2.11 0.21 0.00 0.05 0.00 0.00 61.00 63.59 1fvg s PRO 161 Cb -0.13 -2.15 0.64 0.00 0.05 0.00 0.00 34.50 32.91 1fvg s PRO 161 CO -0.10 -1.22 1.54 0.25 0.05 0.00 0.00 177.00 177.52 1fvg n THR 162 N -1.23 1.19 -3.56 1.26 -2.24 -1.26 -3.50 114.28 104.94 1fvg n THR 162 Ca 0.12 -1.05 -0.15 0.00 -2.27 0.00 0.00 64.05 60.70 1fvg n THR 162 Cb 0.46 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1fvg n THR 162 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fvg s SER 163 N -0.99 -0.49 0.36 3.42 1.04 -1.26 -4.99 113.70 110.78 1fvg s SER 163 Ca 0.48 0.31 0.04 0.00 0.48 0.00 0.00 55.95 57.26 1fvg s SER 163 Cb 0.26 0.50 0.67 0.00 0.10 0.00 0.00 66.02 67.55 1fvg s SER 163 CO 0.30 -0.69 1.95 0.00 0.98 0.00 0.00 173.24 175.79 1fvg h ALA 164 N 2.87 1.49 -0.83 5.32 0.00 -2.00 0.84 119.26 126.95 1fvg h ALA 164 Ca -0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1fvg h ALA 164 Cb 1.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1fvg h ALA 164 CO 0.40 0.40 0.37 0.93 0.00 0.00 0.00 179.25 181.35 1fvg h GLU 165 N 0.61 1.22 -0.31 0.00 5.08 -2.00 -1.53 114.58 117.66 1fvg h GLU 165 Ca 0.15 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1fvg h GLU 165 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1fvg h GLU 165 CO -0.01 0.95 -0.05 0.45 -1.00 0.00 0.00 179.01 179.35 1fvg h HIS 166 N 1.20 0.51 -0.30 4.33 3.86 -1.58 -2.01 115.15 121.15 1fvg h HIS 166 Ca 0.28 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1fvg h HIS 166 Cb 0.16 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1fvg h HIS 166 CO 0.02 0.54 0.16 0.28 0.86 0.00 0.00 177.93 179.79 1fvg h VAL 167 N 0.46 1.01 -0.57 2.45 2.07 0.10 0.21 116.25 121.98 1fvg h VAL 167 Ca 0.09 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1fvg h VAL 167 Cb 0.39 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1fvg h VAL 167 CO 0.02 0.06 0.36 1.23 0.02 0.00 0.00 177.57 179.26 1fvg h GLY 168 N 0.33 0.80 1.27 2.17 0.00 -1.04 -0.33 103.07 106.28 1fvg h GLY 168 Ca 0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1fvg h GLY 168 CO -0.07 0.26 0.01 0.00 0.00 0.00 0.00 176.54 176.74 1fvg h ALA 169 N 1.23 1.03 -0.30 3.60 0.00 -1.11 -1.31 119.26 122.40 1fvg h ALA 169 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1fvg h ALA 169 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1fvg h ALA 169 CO -0.07 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.87 1fvg h ALA 170 N 1.19 0.39 -0.70 0.00 0.00 0.01 -0.99 119.26 119.15 1fvg h ALA 170 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1fvg h ALA 170 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1fvg h ALA 170 CO 0.02 0.03 0.21 -0.07 0.00 0.00 0.00 179.25 179.44 1fvg h LEU 171 N 0.32 1.03 -0.57 0.00 3.38 -0.91 -1.84 115.31 116.72 1fvg h LEU 171 Ca 0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1fvg h LEU 171 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1fvg h LEU 171 CO -0.00 0.97 0.19 0.50 0.09 0.00 0.00 178.44 180.19 1fvg h LYS 172 N 1.04 0.88 -0.84 1.13 3.64 -1.15 -1.77 116.57 119.50 1fvg h LYS 172 Ca 0.22 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1fvg h LYS 172 Cb 0.32 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1fvg h LYS 172 CO -0.00 0.78 0.50 0.66 -2.27 0.00 0.00 179.45 179.12 1fvg h SER 173 N 0.79 1.00 -0.17 4.20 4.64 -0.81 -0.68 113.55 122.54 1fvg h SER 173 Ca 0.18 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1fvg h SER 173 Cb 0.26 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1fvg h SER 173 CO -0.01 0.77 -0.05 0.50 -0.87 0.00 0.00 176.83 177.17 1fvg h LYS 174 N 1.15 0.33 -0.69 4.77 3.64 -1.07 -0.43 116.57 124.28 1fvg h LYS 174 Ca 0.30 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1fvg h LYS 174 Cb -0.04 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1fvg h LYS 174 CO -0.06 0.62 0.43 0.93 -2.27 0.00 0.00 179.45 179.10 1fvg h GLU 175 N 0.03 0.82 -0.01 1.90 5.08 -1.04 -0.67 114.58 120.69 1fvg h GLU 175 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1fvg h GLU 175 Cb 0.50 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1fvg h GLU 175 CO 0.02 0.54 0.00 -0.44 -1.00 0.00 0.00 179.01 178.14 1fvg h ASP 176 N 0.85 0.01 0.40 1.42 3.32 -1.01 -2.80 116.42 118.60 1fvg h ASP 176 Ca 0.27 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1fvg h ASP 176 Cb 0.01 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1fvg h ASP 176 CO -0.10 0.13 -0.29 0.22 -1.72 0.00 0.00 179.24 177.48 1fvg h TYR 177 N -0.11 0.00 -0.64 4.55 3.20 -0.92 -2.28 116.97 120.77 1fvg h TYR 177 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1fvg h TYR 177 Cb 0.12 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1fvg h TYR 177 CO -0.04 0.29 0.32 0.37 -1.64 0.00 0.00 178.16 177.46 1fvg h GLN 178 N 0.00 0.90 -0.30 1.82 5.75 -0.85 -0.68 115.11 121.75 1fvg h GLN 178 Ca -0.00 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.30 1fvg h GLN 178 Cb 0.56 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1fvg h GLN 178 CO 0.04 0.69 -0.18 0.87 -2.65 0.00 0.00 178.83 177.60 1fvg h LYS 179 N 0.90 0.55 -0.37 1.69 1.57 -1.29 -0.23 116.57 119.40 1fvg h LYS 179 Ca 0.23 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1fvg h LYS 179 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1fvg h LYS 179 CO -0.03 0.70 -0.11 0.28 -0.57 0.00 0.00 179.45 179.72 1fvg h VAL 180 N 0.49 1.28 -0.32 0.50 2.07 -1.18 -1.90 116.25 117.20 1fvg h VAL 180 Ca 0.08 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1fvg h VAL 180 Cb 0.59 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1fvg h VAL 180 CO 0.04 0.40 0.15 -0.07 0.02 0.00 0.00 177.57 178.10 1fvg h LEU 181 N 0.52 0.42 0.01 2.57 3.38 -0.89 -1.93 115.31 119.39 1fvg h LEU 181 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1fvg h LEU 181 Cb 0.63 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1fvg h LEU 181 CO 0.04 0.43 -0.23 0.28 0.09 0.00 0.00 178.44 179.06 1fvg h SER 182 N 0.37 -0.67 -0.92 -0.43 0.02 -0.99 0.29 113.55 111.23 1fvg h SER 182 Ca 0.11 0.09 0.23 0.00 -0.84 0.00 0.00 61.79 61.38 1fvg h SER 182 Cb 0.13 0.27 -0.13 0.00 0.14 0.00 0.00 62.40 62.81 1fvg h SER 182 CO -0.01 -0.30 0.43 -0.33 -1.14 0.00 0.00 176.83 175.48 1fvg h GLU 183 N -0.37 0.40 -0.67 3.45 5.08 -1.08 -0.15 114.58 121.24 1fvg h GLU 183 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1fvg h GLU 183 Cb 0.44 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1fvg h GLU 183 CO -0.20 0.26 0.00 0.72 -1.00 0.00 0.00 179.01 178.80 1fvg n HIS 184 N -5.03 1.06 -2.61 4.33 8.25 -0.69 -4.92 115.22 115.61 1fvg n HIS 184 Ca 0.24 -0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 1fvg n HIS 184 Cb 0.70 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.57 1fvg n HIS 184 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fvg n GLY 185 N 0.58 0.10 3.74 -1.41 0.00 -0.07 -5.04 105.19 103.09 1fvg n GLY 185 Ca 0.16 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1fvg n GLY 185 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fvg s PHE 186 N -2.83 2.80 0.00 1.61 0.40 0.01 -5.02 117.98 114.94 1fvg s PHE 186 Ca 0.14 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1fvg s PHE 186 Cb -0.06 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1fvg s PHE 186 CO 0.17 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.95 1fvg n GLY 187 N -1.10 -0.87 3.74 4.36 0.00 -1.26 -4.09 105.19 105.97 1fvg n GLY 187 Ca -0.05 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 1fvg n GLY 187 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fvg s LEU 188 N 0.00 4.47 0.15 0.99 0.20 -1.26 -4.70 118.68 118.52 1fvg s LEU 188 Ca 0.00 1.51 -0.31 0.00 0.69 0.00 0.00 54.13 56.02 1fvg s LEU 188 Cb 0.00 -3.29 -0.10 0.00 -0.43 0.00 0.00 46.19 42.37 1fvg s LEU 188 CO 0.00 0.02 1.58 -0.63 -0.29 0.00 0.00 176.35 177.02 1fvg s ILE 189 N -0.12 2.70 -2.35 6.68 1.01 -1.26 -4.49 121.20 123.37 1fvg s ILE 189 Ca 0.40 0.46 0.20 0.00 0.00 0.00 0.00 60.65 61.71 1fvg s ILE 189 Cb -0.21 -3.30 0.11 0.00 0.01 0.00 0.00 42.46 39.08 1fvg s ILE 189 CO 0.24 0.03 1.10 0.35 0.00 0.00 0.00 174.94 176.67 1fvg n THR 190 N 4.09 0.00 -1.54 2.92 -2.24 0.12 -4.96 114.28 112.66 1fvg n THR 190 Ca 0.14 -0.44 -0.52 0.00 -2.27 0.00 0.00 64.05 60.96 1fvg n THR 190 Cb 0.39 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.93 1fvg n THR 190 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fvg n THR 191 N 0.79 0.55 -3.07 4.28 -1.04 -1.23 -4.80 114.28 109.76 1fvg n THR 191 Ca 0.11 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1fvg n THR 191 Cb 0.49 -0.53 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 1fvg n THR 191 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fvg s ASP 192 N 0.02 6.27 -0.26 8.00 2.15 0.11 -4.93 116.67 128.02 1fvg s ASP 192 Ca 0.80 -0.66 -0.04 0.00 0.43 0.00 0.00 52.55 53.08 1fvg s ASP 192 Cb -1.00 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 39.30 1fvg s ASP 192 CO 0.53 -0.95 0.00 -0.63 -0.17 0.00 0.00 175.17 173.94 1fvg s ILE 193 N 3.00 3.43 -0.12 4.11 1.01 -1.26 -1.08 121.20 130.29 1fvg s ILE 193 Ca 0.20 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1fvg s ILE 193 Cb -0.16 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1fvg s ILE 193 CO 0.15 0.20 0.32 -0.13 0.00 0.00 0.00 174.94 175.48 1fvg s ARG 194 N 1.43 0.38 0.74 2.79 0.52 -0.97 -5.00 118.95 118.83 1fvg s ARG 194 Ca 0.02 0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.55 1fvg s ARG 194 Cb -0.16 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.52 1fvg s ARG 194 CO -0.01 -0.05 1.09 -2.00 0.02 0.00 0.00 175.30 174.35 1fvg s GLU 195 N 0.13 2.61 -1.52 3.54 2.12 -1.26 -3.51 118.70 120.80 1fvg s GLU 195 Ca -0.00 0.61 -0.13 0.00 0.36 0.00 0.00 54.97 55.80 1fvg s GLU 195 Cb -0.02 -1.98 0.09 0.00 0.26 0.00 0.00 34.13 32.48 1fvg s GLU 195 CO 0.01 -1.25 0.88 0.41 -0.54 0.00 0.00 175.26 174.77 1fvg n GLY 196 N -2.51 -0.49 3.89 -1.50 0.00 -1.23 -4.96 105.19 98.39 1fvg n GLY 196 Ca 0.07 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1fvg n GLY 196 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fvg s GLN 197 N -6.53 3.72 -0.03 1.61 -1.52 -1.26 -5.06 119.66 110.59 1fvg s GLN 197 Ca 0.62 0.14 -0.24 0.00 -1.95 0.00 0.00 55.36 53.94 1fvg s GLN 197 Cb -0.32 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1fvg s GLN 197 CO 0.77 0.30 0.72 0.99 -0.25 0.00 0.00 175.29 177.83 1fvg s THR 198 N -1.88 4.95 -0.23 -0.19 2.01 -1.26 -4.96 115.64 114.08 1fvg s THR 198 Ca 0.45 1.51 -0.21 0.00 0.31 0.00 0.00 61.69 63.76 1fvg s THR 198 Cb -0.11 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1fvg s THR 198 CO 0.24 0.29 0.63 0.12 -0.69 0.00 0.00 174.62 175.21 1fvg s PHE 199 N 0.53 3.33 -0.20 4.92 5.36 -1.26 -4.47 117.98 126.18 1fvg s PHE 199 Ca 0.38 0.87 -0.06 0.00 -0.96 0.00 0.00 56.93 57.17 1fvg s PHE 199 Cb -0.19 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.64 1fvg s PHE 199 CO 0.20 -0.25 0.03 0.71 -1.46 0.00 0.00 175.22 174.44 1fvg s TYR 200 N 2.21 3.10 0.51 10.12 1.51 -0.05 -4.95 117.35 129.80 1fvg s TYR 200 Ca 0.27 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.85 1fvg s TYR 200 Cb -0.16 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.54 1fvg s TYR 200 CO 0.09 -0.11 1.26 0.71 -1.11 0.00 0.00 175.55 176.39 1fvg s TYR 201 N 0.83 2.55 0.68 2.71 1.51 -1.26 0.05 117.35 124.41 1fvg s TYR 201 Ca 0.02 1.46 -0.05 0.00 -1.01 0.00 0.00 57.07 57.48 1fvg s TYR 201 Cb -0.14 -3.59 0.06 0.00 -0.11 0.00 0.00 41.96 38.18 1fvg s TYR 201 CO 0.02 -2.23 0.97 0.00 -1.11 0.00 0.00 175.55 173.20 1fvg s ALA 202 N -1.44 3.30 0.75 3.71 0.00 -0.61 -4.75 121.76 122.71 1fvg s ALA 202 Ca 0.69 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 1fvg s ALA 202 Cb -0.34 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1fvg s ALA 202 CO 0.41 -1.20 0.85 0.39 0.00 0.00 0.00 175.76 176.20 1fvg n GLU 203 N -2.81 0.36 -0.32 0.00 4.71 -1.26 -4.83 120.64 116.48 1fvg n GLU 203 Ca 0.08 0.18 0.11 0.00 -0.01 0.00 0.00 57.16 57.52 1fvg n GLU 203 Cb 0.60 -2.12 0.29 0.00 -1.01 0.00 0.00 31.44 29.20 1fvg n GLU 203 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1fvg h ASP 204 N -0.45 0.59 0.14 1.62 -0.00 -1.96 -0.69 116.42 115.67 1fvg h ASP 204 Ca -0.46 0.11 -0.01 0.00 -0.00 0.00 0.00 57.03 56.67 1fvg h ASP 204 Cb 1.33 0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 40.68 1fvg h ASP 204 CO 0.45 0.18 -0.04 0.10 -0.00 0.00 0.00 179.24 179.93 1fvg h TYR 205 N 0.62 0.00 0.00 0.28 -0.00 -1.94 -1.40 116.97 114.52 1fvg h TYR 205 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.22 1fvg h TYR 205 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.60 1fvg h TYR 205 CO -0.06 0.04 -0.37 0.45 -0.00 0.00 0.00 178.16 178.21 1fvg h HIS 206 N 0.00 0.00 -2.66 0.10 3.86 -1.46 -3.40 115.15 111.58 1fvg h HIS 206 Ca -0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1fvg h HIS 206 Cb 0.12 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.60 1fvg h HIS 206 CO 0.00 0.21 1.02 -0.65 0.86 0.00 0.00 177.93 179.37 1fvg s GLN 207 N -3.12 4.19 -1.50 2.45 -1.52 -0.53 -2.19 119.66 117.44 1fvg s GLN 207 Ca 0.05 2.33 -0.11 0.00 -1.95 0.00 0.00 55.36 55.67 1fvg s GLN 207 Cb 0.07 -3.67 0.07 0.00 -0.22 0.00 0.00 33.01 29.26 1fvg s GLN 207 CO 0.72 -0.76 0.91 1.04 -0.25 0.00 0.00 175.29 176.95 1fvg n GLN 208 N 5.85 -5.28 -0.20 2.91 3.00 -1.26 -4.85 117.38 117.55 1fvg n GLN 208 Ca 0.16 0.59 0.01 0.00 -0.01 0.00 0.00 57.00 57.74 1fvg n GLN 208 Cb 0.41 -5.39 0.11 0.00 0.00 0.00 0.00 30.24 25.36 1fvg n GLN 208 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1fvg h TYR 209 N -2.03 0.26 0.00 1.08 3.20 -1.67 -1.19 116.97 116.62 1fvg h TYR 209 Ca -0.59 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.32 1fvg h TYR 209 Cb 1.37 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1fvg h TYR 209 CO 0.55 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 178.35 1fvg n LEU 210 N -5.09 0.05 0.08 2.82 4.77 -1.26 -1.24 117.00 117.13 1fvg n LEU 210 Ca 0.09 0.51 -0.23 0.00 -0.03 0.00 0.00 56.01 56.35 1fvg n LEU 210 Cb 0.31 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 1fvg n LEU 210 CO 0.18 -0.17 -0.47 -1.28 -1.33 0.00 0.00 177.39 174.32 1fvg h SER 211 N 0.00 0.64 0.05 -1.43 0.87 -1.61 -2.87 113.55 109.19 1fvg h SER 211 Ca 0.00 -0.93 -0.13 0.00 -1.23 0.00 0.00 61.79 59.50 1fvg h SER 211 Cb 0.36 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1fvg h SER 211 CO 0.00 1.76 -0.43 0.11 -0.53 0.00 0.00 176.83 177.74 1fvg h LYS 212 N 0.07 0.47 -2.32 2.24 1.57 -0.83 -3.38 116.57 114.39 1fvg h LYS 212 Ca -0.32 -0.24 -0.51 0.00 -1.87 0.00 0.00 60.65 57.70 1fvg h LYS 212 Cb 2.07 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 34.03 1fvg h LYS 212 CO 0.18 0.81 -0.83 0.34 -0.57 0.00 0.00 179.45 179.39 1fvg s ASP 213 N -6.86 2.00 0.55 0.86 2.15 -0.37 -5.01 116.67 109.99 1fvg s ASP 213 Ca -0.07 -2.22 0.25 0.00 0.43 0.00 0.00 52.55 50.94 1fvg s ASP 213 Cb 0.12 -0.08 1.47 0.00 -0.30 0.00 0.00 42.92 44.13 1fvg s ASP 213 CO 0.81 -0.26 2.05 -0.65 -0.17 0.00 0.00 175.17 176.95 1fvg h PRO 214 N 6.64 0.00 -0.55 4.34 0.11 -1.69 -0.87 132.00 139.98 1fvg h PRO 214 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1fvg h PRO 214 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1fvg h PRO 214 CO 0.26 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.80 1fvg n ASP 215 N -4.16 4.21 -0.16 -2.05 8.00 -1.26 -4.66 116.55 116.47 1fvg n ASP 215 Ca 0.05 -2.39 0.06 0.00 0.71 0.00 0.00 54.79 53.21 1fvg n ASP 215 Cb 0.44 -0.50 0.29 0.00 -0.02 0.00 0.00 41.12 41.33 1fvg n ASP 215 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fvg n GLY 216 N 0.83 -0.61 3.97 0.44 0.00 -0.33 -4.93 105.19 104.55 1fvg n GLY 216 Ca 0.22 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1fvg n GLY 216 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fvg s TYR 217 N -1.91 1.66 -2.84 1.61 -0.85 -1.26 -5.08 117.35 108.67 1fvg s TYR 217 Ca 0.18 -0.01 0.25 0.00 -0.52 0.00 0.00 57.07 56.98 1fvg s TYR 217 Cb 0.09 -3.44 0.46 0.00 0.38 0.00 0.00 41.96 39.46 1fvg s TYR 217 CO 0.14 -2.06 1.41 0.00 -1.52 0.00 0.00 175.55 173.53