#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fy3 s VAL 2 N 0.00 3.98 -1.29 1.39 0.11 0.18 -4.35 120.40 120.42 1fy3 s VAL 2 Ca 0.00 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1fy3 s VAL 2 Cb 0.00 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1fy3 s VAL 2 CO 0.00 0.38 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1fy3 n GLY 3 N 1.46 -0.09 0.75 6.54 0.00 -1.25 -1.09 105.19 111.51 1fy3 n GLY 3 Ca -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 1fy3 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy3 n GLY 4 N -1.03 2.79 3.32 -0.02 0.00 -1.26 -4.87 105.19 104.12 1fy3 n GLY 4 Ca -0.17 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.40 1fy3 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fy3 s ARG 5 N -2.45 1.23 0.20 1.61 3.52 0.40 -4.87 118.95 118.58 1fy3 s ARG 5 Ca 0.07 -1.22 -0.31 0.00 -0.13 0.00 0.00 55.73 54.14 1fy3 s ARG 5 Cb -0.01 -1.57 -0.10 0.00 -1.56 0.00 0.00 34.95 31.72 1fy3 s ARG 5 CO 0.05 0.37 1.47 0.21 -0.81 0.00 0.00 175.30 176.58 1fy3 s LYS 6 N -1.94 4.27 0.62 5.12 2.20 -1.26 -0.44 119.74 128.31 1fy3 s LYS 6 Ca 0.09 2.27 -0.09 0.00 -0.36 0.00 0.00 55.97 57.88 1fy3 s LYS 6 Cb -0.10 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1fy3 s LYS 6 CO 0.05 -0.47 0.99 0.00 -0.36 0.00 0.00 175.35 175.55 1fy3 s ALA 7 N 0.51 3.13 0.25 3.13 0.00 -0.04 -4.86 121.76 123.88 1fy3 s ALA 7 Ca 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1fy3 s ALA 7 Cb -0.41 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1fy3 s ALA 7 CO 0.37 -0.80 0.44 1.03 0.00 0.00 0.00 175.76 176.80 1fy3 s ARG 8 N -5.13 3.51 0.31 0.00 0.52 -1.26 -4.80 118.95 112.10 1fy3 s ARG 8 Ca 0.55 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 1fy3 s ARG 8 Cb -0.11 -2.79 -0.12 0.00 0.52 0.00 0.00 34.95 32.45 1fy3 s ARG 8 CO 0.50 0.33 1.45 -2.30 0.02 0.00 0.00 175.30 175.29 1fy3 n PRO 9 N -1.09 2.38 -0.83 3.54 -0.02 -1.26 -1.68 135.00 136.05 1fy3 n PRO 9 Ca -0.05 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1fy3 n PRO 9 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1fy3 n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fy3 n ARG 10 N 1.35 -0.31 -0.23 -0.52 1.74 -1.26 -4.87 116.66 112.56 1fy3 n ARG 10 Ca 0.07 0.08 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 1fy3 n ARG 10 Cb 0.36 -3.65 0.26 0.00 -1.02 0.00 0.00 32.46 28.41 1fy3 n ARG 10 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1fy3 h GLN 11 N 1.20 0.96 -2.19 5.56 4.15 -1.71 -3.25 115.11 119.83 1fy3 h GLN 11 Ca 0.00 -0.06 -0.59 0.00 0.77 0.00 0.00 58.65 58.78 1fy3 h GLN 11 Cb 0.16 -0.22 -0.41 0.00 0.21 0.00 0.00 27.48 27.22 1fy3 h GLN 11 CO 0.00 0.63 -0.79 1.19 -1.93 0.00 0.00 178.83 177.93 1fy3 n PHE 12 N -4.45 1.97 0.32 3.99 3.72 -1.26 -4.97 117.46 116.79 1fy3 n PHE 12 Ca 0.10 -3.91 0.04 0.00 -0.05 0.00 0.00 57.45 53.63 1fy3 n PHE 12 Cb 0.10 -0.45 0.19 0.00 -0.94 0.00 0.00 39.48 38.38 1fy3 n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1fy3 n PRO 13 N 1.22 0.05 0.00 -1.08 -0.04 -1.23 -1.75 135.00 132.17 1fy3 n PRO 13 Ca 0.26 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1fy3 n PRO 13 Cb 0.45 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 1fy3 n PRO 13 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1fy3 n PHE 14 N -1.42 0.00 -1.88 0.54 1.16 -1.25 -1.89 117.46 112.72 1fy3 n PHE 14 Ca 0.03 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.20 1fy3 n PHE 14 Cb 0.08 -0.15 -0.00 0.00 -1.61 0.00 0.00 39.48 37.81 1fy3 n PHE 14 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1fy3 s LEU 15 N -2.79 4.28 0.02 5.98 1.43 -0.72 -1.28 118.68 125.59 1fy3 s LEU 15 Ca 0.15 2.92 0.09 0.00 -1.03 0.00 0.00 54.13 56.26 1fy3 s LEU 15 Cb 0.18 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1fy3 s LEU 15 CO 0.66 -0.88 -0.26 0.00 0.23 0.00 0.00 176.35 176.10 1fy3 s ALA 16 N -1.16 2.16 -0.27 4.21 0.00 0.11 -4.31 121.76 122.50 1fy3 s ALA 16 Ca 0.54 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1fy3 s ALA 16 Cb -0.44 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1fy3 s ALA 16 CO 0.58 0.52 0.01 0.45 0.00 0.00 0.00 175.76 177.32 1fy3 s SER 17 N -0.96 4.73 -0.24 0.00 0.15 0.47 -2.00 113.70 115.84 1fy3 s SER 17 Ca 0.11 -0.71 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 1fy3 s SER 17 Cb -0.10 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 1fy3 s SER 17 CO 0.01 -0.14 0.33 -0.63 1.20 0.00 0.00 173.24 174.01 1fy3 s ILE 18 N 1.44 5.22 0.11 6.45 -1.09 0.49 0.18 121.20 134.00 1fy3 s ILE 18 Ca 0.02 0.52 0.09 0.00 -2.23 0.00 0.00 60.65 59.05 1fy3 s ILE 18 Cb -0.17 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1fy3 s ILE 18 CO -0.01 0.23 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.61 1fy3 s GLN 19 N 1.60 1.19 -0.22 2.79 -0.21 -0.58 -0.69 119.66 123.55 1fy3 s GLN 19 Ca 0.15 -1.22 0.01 0.00 0.02 0.00 0.00 55.36 54.32 1fy3 s GLN 19 Cb -0.15 -1.49 0.05 0.00 1.00 0.00 0.00 33.01 32.42 1fy3 s GLN 19 CO 0.08 0.34 -0.10 1.21 -2.12 0.00 0.00 175.29 174.70 1fy3 s ASN 20 N -2.00 3.66 -1.42 5.90 3.84 0.67 -1.17 114.94 124.42 1fy3 s ASN 20 Ca 0.09 -1.02 -0.07 0.00 0.21 0.00 0.00 52.86 52.06 1fy3 s ASN 20 Cb -0.10 -1.31 0.04 0.00 -0.55 0.00 0.00 41.25 39.34 1fy3 s ASN 20 CO 0.05 -0.16 0.87 0.00 -2.79 0.00 0.00 177.10 175.07 1fy3 n GLN 21 N 4.63 -5.40 -0.91 0.43 1.13 -1.26 -1.24 117.38 114.75 1fy3 n GLN 21 Ca -0.15 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 1fy3 n GLN 21 Cb 0.45 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.43 1fy3 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fy3 n GLY 22 N -1.66 0.68 3.57 1.08 0.00 -1.26 -5.00 105.19 102.60 1fy3 n GLY 22 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1fy3 n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fy3 s ARG 23 N -0.29 3.87 0.06 1.61 3.52 -0.38 -5.00 118.95 122.34 1fy3 s ARG 23 Ca 0.00 -0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 54.93 1fy3 s ARG 23 Cb 0.00 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 1fy3 s ARG 23 CO 0.00 -0.20 1.60 -1.58 -0.81 0.00 0.00 175.30 174.30 1fy3 s HIS 24 N 1.74 2.53 0.00 5.12 5.65 -1.26 -0.24 115.29 128.83 1fy3 s HIS 24 Ca 0.07 0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.82 1fy3 s HIS 24 Cb -0.16 -3.90 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 1fy3 s HIS 24 CO 0.10 -3.54 0.00 1.97 -0.65 0.00 0.00 174.74 172.62 1fy3 n PHE 25 N 5.50 0.00 -3.44 3.88 -1.74 0.14 -4.94 117.46 116.85 1fy3 n PHE 25 Ca 0.15 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.92 1fy3 n PHE 25 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 1fy3 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fy3 s GLY 27 N -2.65 2.01 -0.01 0.00 0.00 0.05 -0.38 107.32 106.34 1fy3 s GLY 27 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 1fy3 s GLY 27 CO -0.11 -1.80 0.71 0.61 0.00 0.00 0.00 173.10 172.50 1fy3 n GLY 28 N -2.04 0.40 3.04 0.20 0.00 -0.85 -3.69 105.19 102.26 1fy3 n GLY 28 Ca 0.08 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1fy3 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fy3 s ALA 29 N -1.55 -0.30 -0.20 4.61 0.00 -0.06 -0.71 121.76 123.54 1fy3 s ALA 29 Ca 0.17 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1fy3 s ALA 29 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1fy3 s ALA 29 CO -0.00 -0.12 1.05 -1.17 0.00 0.00 0.00 175.76 175.53 1fy3 s LEU 30 N -0.48 4.13 0.00 0.00 2.96 -0.41 0.62 118.68 125.50 1fy3 s LEU 30 Ca -0.06 1.43 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 1fy3 s LEU 30 Cb -0.04 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.13 1fy3 s LEU 30 CO 0.01 -0.64 0.51 2.30 -1.32 0.00 0.00 176.35 177.20 1fy3 n ILE 31 N 5.20 0.00 -3.53 6.68 -5.35 -0.58 -0.49 119.36 121.29 1fy3 n ILE 31 Ca 0.12 -0.48 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1fy3 n ILE 31 Cb 0.46 1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 39.38 1fy3 n ILE 31 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1fy3 s HIS 32 N -0.54 -0.46 0.59 4.28 5.04 -1.09 -4.75 115.29 118.36 1fy3 s HIS 32 Ca 0.04 0.62 0.29 0.00 -1.54 0.00 0.00 55.06 54.47 1fy3 s HIS 32 Cb 0.03 0.47 1.59 0.00 0.04 0.00 0.00 32.58 34.72 1fy3 s HIS 32 CO 0.07 -0.52 2.03 0.00 -2.34 0.00 0.00 174.74 173.97 1fy3 h ALA 33 N 2.47 1.92 -0.10 1.58 0.00 -1.95 -1.89 119.26 121.29 1fy3 h ALA 33 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1fy3 h ALA 33 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fy3 h ALA 33 CO 0.34 -0.44 0.00 -2.13 0.00 0.00 0.00 179.25 177.02 1fy3 n ARG 34 N -3.76 1.18 -4.03 0.00 0.63 -1.26 -1.00 116.66 108.42 1fy3 n ARG 34 Ca 0.04 -1.34 -0.13 0.00 -0.92 0.00 0.00 57.85 55.50 1fy3 n ARG 34 Cb 0.44 -1.18 -0.13 0.00 0.45 0.00 0.00 32.46 32.04 1fy3 n ARG 34 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1fy3 s PHE 35 N -0.81 0.34 -0.10 -0.14 0.40 -0.71 -0.90 117.98 116.05 1fy3 s PHE 35 Ca 0.13 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1fy3 s PHE 35 Cb 0.08 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 1fy3 s PHE 35 CO 0.11 -0.05 -0.21 0.08 0.70 0.00 0.00 175.22 175.85 1fy3 s VAL 36 N -0.55 2.35 -0.14 -0.44 1.01 -0.70 -1.52 120.40 120.41 1fy3 s VAL 36 Ca -0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1fy3 s VAL 36 Cb -0.04 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1fy3 s VAL 36 CO -0.00 0.55 0.29 -0.32 0.00 0.00 0.00 175.10 175.62 1fy3 s MET 37 N 0.24 4.13 0.00 2.72 1.75 0.20 -0.57 119.30 127.77 1fy3 s MET 37 Ca -0.14 0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 1fy3 s MET 37 Cb -0.17 -3.37 0.00 0.00 2.84 0.00 0.00 34.83 34.13 1fy3 s MET 37 CO 0.07 0.35 0.00 -2.37 -0.65 0.00 0.00 175.02 172.43 1fy3 n THR 38 N 3.18 0.00 -3.58 10.11 5.66 0.39 -0.88 114.28 129.16 1fy3 n THR 38 Ca -0.13 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.50 1fy3 n THR 38 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1fy3 n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fy3 s ALA 39 N -1.59 3.71 0.45 1.79 0.00 -1.26 -0.04 121.76 124.81 1fy3 s ALA 39 Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 51.96 51.76 1fy3 s ALA 39 Cb 0.00 -2.31 1.02 0.00 0.00 0.00 0.00 23.12 21.83 1fy3 s ALA 39 CO 0.00 0.42 1.99 0.00 0.00 0.00 0.00 175.76 178.17 1fy3 h ALA 40 N 5.21 1.67 -0.25 0.00 0.00 -1.73 -2.16 119.26 122.01 1fy3 h ALA 40 Ca -0.50 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.30 1fy3 h ALA 40 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1fy3 h ALA 40 CO 0.64 0.23 0.18 0.66 0.00 0.00 0.00 179.25 180.96 1fy3 h SER 41 N 0.00 0.06 0.22 0.00 4.64 -1.93 -0.69 113.55 115.84 1fy3 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fy3 h SER 41 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1fy3 h SER 41 CO 0.02 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1fy3 s PHE 43 N -3.73 2.07 -0.94 0.00 0.40 -0.27 -5.04 117.98 110.46 1fy3 s PHE 43 Ca -0.02 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 1fy3 s PHE 43 Cb 0.09 -1.11 -0.31 0.00 0.51 0.00 0.00 43.02 42.20 1fy3 s PHE 43 CO 0.34 0.43 2.11 0.28 0.70 0.00 0.00 175.22 179.07 1fy3 n VAL 50 N -0.61 0.00 -4.46 -0.44 0.31 -1.26 -5.10 118.33 106.78 1fy3 n VAL 50 Ca -0.06 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.53 1fy3 n VAL 50 Cb 0.62 -0.10 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 1fy3 n VAL 50 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1fy3 s SER 51 N 0.53 3.64 0.30 4.52 0.01 -1.26 -4.46 113.70 116.98 1fy3 s SER 51 Ca 1.24 -1.00 0.07 0.00 1.31 0.00 0.00 55.95 57.56 1fy3 s SER 51 Cb -0.77 -0.33 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 1fy3 s SER 51 CO 0.52 0.04 -0.05 0.42 0.41 0.00 0.00 173.24 174.58 1fy3 s THR 52 N -2.46 1.72 -0.11 1.44 -4.23 -0.31 -4.13 115.64 107.55 1fy3 s THR 52 Ca 0.30 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1fy3 s THR 52 Cb -0.05 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1fy3 s THR 52 CO 0.15 -0.23 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.11 1fy3 s VAL 53 N -2.96 1.78 -0.21 2.29 1.01 0.17 -1.52 120.40 120.96 1fy3 s VAL 53 Ca 0.31 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1fy3 s VAL 53 Cb 0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1fy3 s VAL 53 CO 0.13 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.98 1fy3 s VAL 54 N 0.72 3.24 0.22 2.92 1.01 0.13 -1.15 120.40 127.49 1fy3 s VAL 54 Ca -0.11 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1fy3 s VAL 54 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1fy3 s VAL 54 CO 0.02 0.44 0.03 -0.76 0.00 0.00 0.00 175.10 174.83 1fy3 s LEU 55 N 1.37 3.35 0.00 3.92 1.43 0.05 -0.40 118.68 128.40 1fy3 s LEU 55 Ca 0.04 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1fy3 s LEU 55 Cb -0.14 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1fy3 s LEU 55 CO -0.04 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1fy3 n GLY 56 N -0.59 0.47 3.84 -3.19 0.00 -1.24 -0.99 105.19 103.49 1fy3 n GLY 56 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1fy3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fy3 s ALA 57 N -2.04 3.02 0.00 4.61 0.00 -1.26 -3.94 121.76 122.15 1fy3 s ALA 57 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1fy3 s ALA 57 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1fy3 s ALA 57 CO 0.00 -0.38 0.00 0.98 0.00 0.00 0.00 175.76 176.36 1fy3 n TYR 58 N -1.80 0.00 -3.29 0.00 9.36 -1.26 -4.86 117.16 115.31 1fy3 n TYR 58 Ca 0.07 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.86 1fy3 n TYR 58 Cb 0.54 0.06 -0.08 0.00 -0.63 0.00 0.00 39.34 39.22 1fy3 n TYR 58 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1fy3 s ASP 59 N -1.58 6.22 0.44 2.98 -1.08 -1.26 -3.89 116.67 118.50 1fy3 s ASP 59 Ca 0.00 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 51.69 1fy3 s ASP 59 Cb 0.00 -2.24 1.24 0.00 -1.46 0.00 0.00 42.92 40.47 1fy3 s ASP 59 CO 0.00 -0.59 1.76 -0.07 0.52 0.00 0.00 175.17 176.79 1fy3 h LEU 60 N 9.14 0.32 -0.30 -1.34 3.38 -1.27 -1.11 115.31 124.12 1fy3 h LEU 60 Ca -0.26 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1fy3 h LEU 60 Cb 1.11 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1fy3 h LEU 60 CO 0.80 0.03 -0.00 0.54 0.09 0.00 0.00 178.44 179.90 1fy3 n ARG 61 N -4.53 1.20 -4.28 1.13 1.74 -1.26 -4.89 116.66 105.76 1fy3 n ARG 61 Ca 0.27 -0.30 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 1fy3 n ARG 61 Cb 1.03 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.88 1fy3 n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1fy3 s ARG 62 N -2.01 2.29 0.15 5.56 6.06 -0.42 -5.05 118.95 125.53 1fy3 s ARG 62 Ca 0.44 -0.93 -0.14 0.00 -2.50 0.00 0.00 55.73 52.61 1fy3 s ARG 62 Cb 0.22 -2.38 0.04 0.00 0.06 0.00 0.00 34.95 32.88 1fy3 s ARG 62 CO 0.36 0.53 1.72 0.00 -2.50 0.00 0.00 175.30 175.42 1fy3 h ARG 63 N 3.82 0.72 -6.58 5.12 2.47 -1.90 -3.47 114.38 114.56 1fy3 h ARG 63 Ca -0.48 -0.12 -0.52 0.00 -1.26 0.00 0.00 59.98 57.60 1fy3 h ARG 63 Cb 1.17 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.28 1fy3 h ARG 63 CO 0.54 0.62 -0.89 0.39 0.56 0.00 0.00 179.97 181.18 1fy3 n GLU 64 N -4.59 -3.04 -0.29 0.04 1.02 -1.26 -4.78 120.64 107.73 1fy3 n GLU 64 Ca 0.02 0.37 0.08 0.00 -0.02 0.00 0.00 57.16 57.61 1fy3 n GLU 64 Cb 0.13 -4.47 0.30 0.00 -0.02 0.00 0.00 31.44 27.38 1fy3 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fy3 h ARG 65 N -1.81 0.84 -0.00 3.49 3.08 -1.91 -0.56 114.38 117.51 1fy3 h ARG 65 Ca -0.63 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.37 1fy3 h ARG 65 Cb 1.38 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1fy3 h ARG 65 CO 0.64 0.56 -0.03 1.04 -1.07 0.00 0.00 179.97 181.11 1fy3 n GLN 66 N -4.55 0.09 -0.05 0.04 3.00 -1.26 -4.06 117.38 110.59 1fy3 n GLN 66 Ca 0.16 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 57.09 1fy3 n GLN 66 Cb 0.34 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.01 1fy3 n GLN 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1fy3 n SER 67 N -1.45 2.57 -4.85 1.08 2.88 -0.66 -5.04 113.62 108.14 1fy3 n SER 67 Ca 0.08 -0.02 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 1fy3 n SER 67 Cb 0.32 0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 64.28 1fy3 n SER 67 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1fy3 s ARG 68 N -2.25 3.90 -0.05 -1.46 0.52 -0.31 -4.35 118.95 114.95 1fy3 s ARG 68 Ca -0.08 0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 1fy3 s ARG 68 Cb 0.03 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.27 1fy3 s ARG 68 CO 0.40 -0.14 -0.03 -0.65 0.02 0.00 0.00 175.30 174.90 1fy3 s GLN 69 N -3.86 0.71 0.05 3.54 -0.21 -0.16 -4.93 119.66 114.80 1fy3 s GLN 69 Ca 0.56 -0.03 0.07 0.00 0.02 0.00 0.00 55.36 55.98 1fy3 s GLN 69 Cb -0.10 -0.83 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 1fy3 s GLN 69 CO 0.29 -0.14 -0.17 0.99 -2.12 0.00 0.00 175.29 174.13 1fy3 s THR 70 N 1.19 2.84 0.04 -0.19 2.01 -1.26 -0.77 115.64 119.49 1fy3 s THR 70 Ca -0.07 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 60.71 1fy3 s THR 70 Cb -0.14 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1fy3 s THR 70 CO -0.02 0.32 0.04 -0.36 -0.69 0.00 0.00 174.62 173.91 1fy3 s PHE 71 N -0.95 0.30 0.30 4.92 0.40 -0.30 -4.99 117.98 117.67 1fy3 s PHE 71 Ca 0.15 -0.68 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 1fy3 s PHE 71 Cb -0.11 -0.22 -0.03 0.00 0.51 0.00 0.00 43.02 43.17 1fy3 s PHE 71 CO 0.06 -0.34 0.48 -1.54 0.70 0.00 0.00 175.22 174.58 1fy3 s SER 72 N -2.24 6.31 -0.31 1.36 1.04 -1.26 -0.66 113.70 117.95 1fy3 s SER 72 Ca -0.04 0.34 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 1fy3 s SER 72 Cb -0.00 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 1fy3 s SER 72 CO -0.06 -0.21 0.32 -0.63 0.98 0.00 0.00 173.24 173.64 1fy3 s ILE 73 N -2.18 5.21 -0.04 -1.02 1.01 -1.26 -1.53 121.20 121.40 1fy3 s ILE 73 Ca 0.38 0.19 0.12 0.00 0.00 0.00 0.00 60.65 61.34 1fy3 s ILE 73 Cb -0.10 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 1fy3 s ILE 73 CO 0.33 0.06 1.20 0.77 0.00 0.00 0.00 174.94 177.30 1fy3 h SER 74 N 8.37 0.00 -4.53 3.58 4.64 -0.47 -3.48 113.55 121.66 1fy3 h SER 74 Ca -0.32 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1fy3 h SER 74 Cb 1.16 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.07 1fy3 h SER 74 CO 0.64 0.75 0.47 -0.94 -0.87 0.00 0.00 176.83 176.89 1fy3 s SER 75 N -6.40 -0.40 -0.01 4.97 1.04 -1.23 -4.77 113.70 106.90 1fy3 s SER 75 Ca 0.01 0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.67 1fy3 s SER 75 Cb 0.09 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1fy3 s SER 75 CO 0.79 -0.55 -0.16 -0.04 0.98 0.00 0.00 173.24 174.26 1fy3 s MET 76 N -2.39 1.31 -0.01 4.02 1.00 -1.26 -0.48 119.30 121.49 1fy3 s MET 76 Ca 0.02 -0.60 0.03 0.00 0.00 0.00 0.00 55.69 55.14 1fy3 s MET 76 Cb -0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 34.83 33.54 1fy3 s MET 76 CO -0.04 0.35 -0.11 -1.12 0.00 0.00 0.00 175.02 174.09 1fy3 s SER 77 N -0.44 1.31 0.08 3.03 0.01 0.12 -4.96 113.70 112.84 1fy3 s SER 77 Ca 0.06 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 1fy3 s SER 77 Cb -0.06 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1fy3 s SER 77 CO -0.00 0.13 -0.03 -1.83 0.41 0.00 0.00 173.24 171.91 1fy3 s GLU 78 N -0.31 0.73 -0.65 12.44 4.04 -1.26 -0.70 118.70 132.99 1fy3 s GLU 78 Ca 0.04 -1.29 0.05 0.00 0.04 0.00 0.00 54.97 53.81 1fy3 s GLU 78 Cb -0.04 0.06 0.19 0.00 0.02 0.00 0.00 34.13 34.35 1fy3 s GLU 78 CO -0.00 -0.09 0.54 -1.71 -1.84 0.00 0.00 175.26 172.15 1fy3 n ASN 79 N 0.03 2.75 -0.45 0.83 5.15 -1.26 -4.84 115.26 117.47 1fy3 n ASN 79 Ca -0.12 -3.17 -0.03 0.00 -0.60 0.00 0.00 54.58 50.67 1fy3 n ASN 79 Cb 0.61 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1fy3 n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fy3 n GLY 80 N 1.76 0.42 3.73 8.20 0.00 -1.26 -4.90 105.19 113.15 1fy3 n GLY 80 Ca 0.23 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1fy3 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fy3 s TYR 81 N -2.39 2.91 -0.22 1.61 5.04 -1.26 -4.63 117.35 118.41 1fy3 s TYR 81 Ca 0.02 0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 55.30 1fy3 s TYR 81 Cb -0.01 -4.02 0.06 0.00 0.35 0.00 0.00 41.96 38.35 1fy3 s TYR 81 CO 0.02 -3.62 -0.00 0.34 -1.34 0.00 0.00 175.55 170.95 1fy3 s ASP 82 N 0.83 3.45 0.13 4.32 -1.08 0.12 -4.97 116.67 119.47 1fy3 s ASP 82 Ca 0.68 -1.06 -0.16 0.00 -0.52 0.00 0.00 52.55 51.49 1fy3 s ASP 82 Cb -0.46 -0.91 -0.01 0.00 -1.46 0.00 0.00 42.92 40.08 1fy3 s ASP 82 CO 0.39 -0.28 1.69 -0.65 0.52 0.00 0.00 175.17 176.83 1fy3 h PRO 83 N 8.09 0.59 -1.00 4.34 0.11 -1.94 0.86 132.00 143.04 1fy3 h PRO 83 Ca -0.17 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1fy3 h PRO 83 Cb 1.09 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1fy3 h PRO 83 CO 0.38 0.55 0.66 0.37 -0.21 0.00 0.00 178.00 179.75 1fy3 h GLN 84 N 0.50 1.32 -0.39 1.05 -0.00 -1.97 -2.08 115.11 113.54 1fy3 h GLN 84 Ca 0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1fy3 h GLN 84 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 27.48 27.36 1fy3 h GLN 84 CO -0.01 0.88 0.00 1.04 0.00 0.00 0.00 178.83 180.73 1fy3 n GLN 85 N -4.38 2.50 -2.89 1.69 1.13 -1.14 -4.92 117.38 109.37 1fy3 n GLN 85 Ca 0.12 -2.29 -0.21 0.00 -1.94 0.00 0.00 57.00 52.68 1fy3 n GLN 85 Cb 0.01 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 28.86 1fy3 n GLN 85 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1fy3 n ASN 86 N 1.49 -5.15 -4.80 1.08 5.03 0.12 -4.92 115.26 108.11 1fy3 n ASN 86 Ca 0.19 -0.18 -0.37 0.00 0.87 0.00 0.00 54.58 55.09 1fy3 n ASN 86 Cb 0.61 -4.23 -0.06 0.00 -1.02 0.00 0.00 39.78 35.07 1fy3 n ASN 86 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1fy3 s LEU 87 N -6.35 4.38 -1.26 3.41 1.43 0.25 -4.36 118.68 116.19 1fy3 s LEU 87 Ca 0.22 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1fy3 s LEU 87 Cb -0.11 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1fy3 s LEU 87 CO 0.27 0.24 0.86 0.59 0.23 0.00 0.00 176.35 178.54 1fy3 n ASN 88 N 2.51 -1.79 -4.39 2.29 4.13 -1.26 0.12 115.26 116.88 1fy3 n ASN 88 Ca -0.13 -0.71 -0.43 0.00 1.68 0.00 0.00 54.58 54.99 1fy3 n ASN 88 Cb 0.52 -4.60 0.00 0.00 -1.54 0.00 0.00 39.78 34.16 1fy3 n ASN 88 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1fy3 n ASP 89 N -3.09 4.72 -3.75 6.41 2.03 -1.26 -4.05 116.55 117.57 1fy3 n ASP 89 Ca -0.28 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.00 1fy3 n ASP 89 Cb 0.67 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 1fy3 n ASP 89 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1fy3 s LEU 90 N 3.68 0.57 -0.02 -2.67 2.96 -1.26 -4.10 118.68 117.84 1fy3 s LEU 90 Ca 0.52 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 55.05 1fy3 s LEU 90 Cb 0.06 1.11 0.01 0.00 0.50 0.00 0.00 46.19 47.87 1fy3 s LEU 90 CO 0.04 -0.13 0.14 -0.32 -1.32 0.00 0.00 176.35 174.75 1fy3 s MET 91 N 0.50 0.33 -0.14 1.98 -2.45 0.94 -4.19 119.30 116.28 1fy3 s MET 91 Ca -0.03 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 1fy3 s MET 91 Cb -0.04 0.14 -0.01 0.00 1.25 0.00 0.00 34.83 36.17 1fy3 s MET 91 CO -0.03 -0.07 -0.15 -0.51 1.05 0.00 0.00 175.02 175.32 1fy3 s LEU 92 N -0.71 2.58 -0.24 4.11 1.43 0.13 -0.46 118.68 125.51 1fy3 s LEU 92 Ca -0.08 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1fy3 s LEU 92 Cb -0.05 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1fy3 s LEU 92 CO 0.01 0.14 0.05 -0.76 0.23 0.00 0.00 176.35 176.01 1fy3 s LEU 93 N 0.51 3.35 -0.18 1.79 1.43 0.26 -0.70 118.68 125.14 1fy3 s LEU 93 Ca -0.10 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1fy3 s LEU 93 Cb -0.16 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1fy3 s LEU 93 CO 0.04 -0.02 0.76 -1.58 0.23 0.00 0.00 176.35 175.78 1fy3 s GLN 94 N 1.52 4.27 0.80 1.70 0.74 0.36 -1.72 119.66 127.32 1fy3 s GLN 94 Ca 0.06 0.87 -0.11 0.00 0.05 0.00 0.00 55.36 56.23 1fy3 s GLN 94 Cb -0.15 -3.57 0.07 0.00 1.10 0.00 0.00 33.01 30.46 1fy3 s GLN 94 CO 0.02 -0.29 1.09 -0.51 -0.55 0.00 0.00 175.29 175.05 1fy3 s LEU 95 N 2.06 2.70 0.51 3.68 1.43 -0.08 0.19 118.68 129.16 1fy3 s LEU 95 Ca 0.35 1.49 0.33 0.00 -1.03 0.00 0.00 54.13 55.27 1fy3 s LEU 95 Cb -0.16 -4.13 1.46 0.00 0.03 0.00 0.00 46.19 43.39 1fy3 s LEU 95 CO 0.12 -2.03 1.99 -2.24 0.23 0.00 0.00 176.35 174.42 1fy3 h ASP 96 N -1.13 0.00 -2.44 2.29 3.04 -1.62 -3.40 116.42 113.18 1fy3 h ASP 96 Ca -0.46 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.36 1fy3 h ASP 96 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1fy3 h ASP 96 CO 0.56 0.00 0.31 -2.11 -2.04 0.00 0.00 179.24 175.97 1fy3 n ARG 97 N -2.90 0.77 -2.67 4.15 1.85 -1.26 -5.03 116.66 111.57 1fy3 n ARG 97 Ca 0.00 -1.57 -0.40 0.00 -1.00 0.00 0.00 57.85 54.87 1fy3 n ARG 97 Cb 0.24 2.01 -0.05 0.00 -1.05 0.00 0.00 32.46 33.61 1fy3 n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1fy3 s GLU 98 N -2.06 4.76 0.46 2.89 2.02 -1.26 -4.70 118.70 120.81 1fy3 s GLU 98 Ca 0.15 1.56 -0.20 0.00 0.02 0.00 0.00 54.97 56.49 1fy3 s GLU 98 Cb -0.03 -3.28 -0.10 0.00 0.10 0.00 0.00 34.13 30.81 1fy3 s GLU 98 CO 0.08 0.36 0.98 0.00 0.02 0.00 0.00 175.26 176.69 1fy3 s ALA 99 N -0.84 2.99 -0.03 5.21 0.00 -0.17 -5.01 121.76 123.91 1fy3 s ALA 99 Ca 0.44 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1fy3 s ALA 99 Cb -0.27 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1fy3 s ALA 99 CO 0.33 -0.04 0.52 -0.80 0.00 0.00 0.00 175.76 175.77 1fy3 s ASN 100 N -2.22 6.86 -0.39 0.00 0.01 -1.26 -4.91 114.94 113.03 1fy3 s ASN 100 Ca 0.63 1.02 -0.27 0.00 -0.71 0.00 0.00 52.86 53.54 1fy3 s ASN 100 Cb -0.11 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1fy3 s ASN 100 CO 0.17 0.12 0.97 -0.76 -1.51 0.00 0.00 177.10 176.09 1fy3 s LEU 101 N -0.16 3.94 0.00 0.60 1.43 -1.26 -4.76 118.68 118.46 1fy3 s LEU 101 Ca 0.28 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1fy3 s LEU 101 Cb -0.17 -3.32 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1fy3 s LEU 101 CO 0.14 -0.95 0.03 0.35 0.23 0.00 0.00 176.35 176.15 1fy3 n THR 102 N 6.17 0.00 0.28 5.49 -2.24 -0.33 -4.96 114.28 118.68 1fy3 n THR 102 Ca 0.08 -0.98 0.17 0.00 -2.27 0.00 0.00 64.05 61.05 1fy3 n THR 102 Cb 0.48 0.26 0.74 0.00 -2.10 0.00 0.00 70.33 69.71 1fy3 n THR 102 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fy3 h SER 103 N 0.57 0.00 -0.02 3.42 4.64 -1.98 -2.80 113.55 117.38 1fy3 h SER 103 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1fy3 h SER 103 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1fy3 h SER 103 CO 0.25 0.03 -0.13 -1.54 -0.87 0.00 0.00 176.83 174.58 1fy3 n SER 104 N -3.15 2.16 -3.61 4.97 3.41 -1.26 -4.86 113.62 111.28 1fy3 n SER 104 Ca -0.00 -1.58 -0.25 0.00 -0.26 0.00 0.00 58.87 56.78 1fy3 n SER 104 Cb 0.28 0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 64.24 1fy3 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fy3 s VAL 105 N -1.63 -0.11 0.14 -3.33 1.01 -1.06 -3.68 120.40 111.74 1fy3 s VAL 105 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1fy3 s VAL 105 Cb 0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1fy3 s VAL 105 CO 0.29 -0.22 -0.04 0.42 0.00 0.00 0.00 175.10 175.55 1fy3 s THR 106 N 2.16 0.73 0.02 3.92 -4.23 -0.79 -1.19 115.64 116.26 1fy3 s THR 106 Ca 0.03 -1.97 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 1fy3 s THR 106 Cb -0.15 -1.90 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 1fy3 s THR 106 CO -0.09 -0.67 0.51 -0.63 -0.54 0.00 0.00 174.62 173.20 1fy3 s ILE 107 N -3.61 4.90 -0.26 2.99 1.01 -1.26 -3.81 121.20 121.15 1fy3 s ILE 107 Ca 0.18 1.06 -0.13 0.00 0.00 0.00 0.00 60.65 61.76 1fy3 s ILE 107 Cb 0.05 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1fy3 s ILE 107 CO -0.00 0.53 0.29 -0.22 0.00 0.00 0.00 174.94 175.53 1fy3 s LEU 108 N -0.83 4.05 0.65 2.97 2.96 0.35 -4.96 118.68 123.87 1fy3 s LEU 108 Ca 0.27 0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 1fy3 s LEU 108 Cb -0.18 -2.29 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1fy3 s LEU 108 CO 0.16 -0.10 1.15 -2.16 -1.32 0.00 0.00 176.35 174.08 1fy3 s PRO 109 N 1.78 2.73 0.27 0.98 0.04 -1.26 -4.56 135.00 134.98 1fy3 s PRO 109 Ca 0.12 1.57 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1fy3 s PRO 109 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1fy3 s PRO 109 CO 0.09 -1.34 0.05 -0.51 0.04 0.00 0.00 177.00 175.34 1fy3 s LEU 110 N -4.68 3.33 0.59 -3.56 1.43 -1.26 -1.64 118.68 112.89 1fy3 s LEU 110 Ca 0.71 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1fy3 s LEU 110 Cb -0.24 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1fy3 s LEU 110 CO 0.39 -0.03 1.03 -2.16 0.23 0.00 0.00 176.35 175.81 1fy3 s PRO 111 N -3.72 3.45 0.64 1.29 0.04 -1.26 -4.89 135.00 130.55 1fy3 s PRO 111 Ca 0.32 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 1fy3 s PRO 111 Cb -0.06 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1fy3 s PRO 111 CO 0.21 -0.69 1.07 -0.51 0.04 0.00 0.00 177.00 177.13 1fy3 s LEU 112 N -4.66 3.38 0.11 -3.56 1.43 -1.26 -4.79 118.68 109.34 1fy3 s LEU 112 Ca 0.60 1.83 -0.35 0.00 -1.03 0.00 0.00 54.13 55.18 1fy3 s LEU 112 Cb -0.13 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.39 1fy3 s LEU 112 CO 0.41 -1.38 1.21 1.67 0.23 0.00 0.00 176.35 178.49 1fy3 n GLN 113 N -2.39 0.98 -0.98 1.70 -0.06 -1.26 -0.83 117.38 114.53 1fy3 n GLN 113 Ca 0.09 0.35 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 1fy3 n GLN 113 Cb 0.53 -1.90 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 1fy3 n GLN 113 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1fy3 n ASN 114 N 2.19 -4.79 -4.70 1.69 3.02 0.36 -4.98 115.26 108.04 1fy3 n ASN 114 Ca 0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 1fy3 n ASN 114 Cb 0.20 -2.49 0.14 0.00 -0.61 0.00 0.00 39.78 37.01 1fy3 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fy3 s ALA 115 N -1.35 1.77 0.21 5.41 0.00 -0.01 -4.99 121.76 122.79 1fy3 s ALA 115 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1fy3 s ALA 115 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1fy3 s ALA 115 CO 0.00 -2.37 -0.10 0.95 0.00 0.00 0.00 175.76 174.24 1fy3 s THR 116 N -2.59 1.48 -0.14 0.00 -4.23 -1.26 -4.75 115.64 104.15 1fy3 s THR 116 Ca 0.67 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1fy3 s THR 116 Cb -0.23 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.54 1fy3 s THR 116 CO 0.55 -0.54 -0.05 0.54 -0.54 0.00 0.00 174.62 174.59 1fy3 s VAL 117 N -3.13 0.94 0.73 2.29 0.11 -1.26 -5.13 120.40 114.95 1fy3 s VAL 117 Ca 0.23 -0.42 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 1fy3 s VAL 117 Cb 0.02 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1fy3 s VAL 117 CO 0.06 0.19 1.07 -1.83 -3.33 0.00 0.00 175.10 171.27 1fy3 s GLU 118 N 1.72 2.65 0.59 1.54 -1.05 -1.26 -4.95 118.70 117.93 1fy3 s GLU 118 Ca 0.02 0.89 -0.20 0.00 -0.15 0.00 0.00 54.97 55.53 1fy3 s GLU 118 Cb -0.14 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 1fy3 s GLU 118 CO -0.08 -1.29 1.33 0.00 0.95 0.00 0.00 175.26 176.18 1fy3 n ALA 119 N -3.25 1.41 -0.07 -0.84 0.00 -1.26 -2.14 120.51 114.36 1fy3 n ALA 119 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1fy3 n ALA 119 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1fy3 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fy3 n GLY 120 N 0.83 1.37 3.74 0.00 0.00 0.33 -4.94 105.19 106.52 1fy3 n GLY 120 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1fy3 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fy3 s THR 121 N -2.55 2.99 -0.06 2.61 2.01 -0.91 -4.67 115.64 115.06 1fy3 s THR 121 Ca 0.00 0.84 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 1fy3 s THR 121 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1fy3 s THR 121 CO 0.00 0.14 0.71 -0.13 -0.69 0.00 0.00 174.62 174.65 1fy3 s ARG 122 N -0.36 4.44 0.30 4.92 0.52 -1.26 -1.27 118.95 126.24 1fy3 s ARG 122 Ca 0.57 0.90 0.04 0.00 -0.52 0.00 0.00 55.73 56.71 1fy3 s ARG 122 Cb -0.38 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 1fy3 s ARG 122 CO 0.41 0.06 0.13 0.00 0.02 0.00 0.00 175.30 175.92 1fy3 s GLN 124 N -3.15 0.30 -0.05 0.00 -0.21 -0.54 -1.22 119.66 114.79 1fy3 s GLN 124 Ca 0.19 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.99 1fy3 s GLN 124 Cb 0.01 0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.15 1fy3 s GLN 124 CO 0.13 -0.05 -0.04 0.14 -2.12 0.00 0.00 175.29 173.35 1fy3 s VAL 125 N -1.42 0.54 0.07 1.09 -7.23 -0.87 -1.31 120.40 111.27 1fy3 s VAL 125 Ca -0.16 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.97 1fy3 s VAL 125 Cb -0.10 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1fy3 s VAL 125 CO -0.01 0.23 -0.20 0.00 -0.31 0.00 0.00 175.10 174.82 1fy3 s ALA 126 N 1.00 1.67 -0.04 1.32 0.00 -1.26 -1.61 121.76 122.84 1fy3 s ALA 126 Ca -0.10 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 1fy3 s ALA 126 Cb -0.14 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.82 1fy3 s ALA 126 CO -0.00 0.34 1.32 0.20 0.00 0.00 0.00 175.76 177.62 1fy3 s GLY 127 N -1.53 -0.23 -0.10 0.00 0.00 0.09 -4.71 107.32 100.83 1fy3 s GLY 127 Ca 0.06 0.28 0.18 0.00 0.00 0.00 0.00 44.72 45.24 1fy3 s GLY 127 CO 0.03 4.21 1.60 0.79 0.00 0.00 0.00 173.10 179.73 1fy3 n TRP 128 N -0.79 1.39 -0.54 1.90 8.01 -1.26 -0.92 117.44 125.22 1fy3 n TRP 128 Ca 0.00 -0.61 -0.28 0.00 -1.31 0.00 0.00 57.50 55.30 1fy3 n TRP 128 Cb 0.60 -0.22 0.26 0.00 -2.01 0.00 0.00 31.31 29.94 1fy3 n TRP 128 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1fy3 s GLY 129 N -0.96 1.53 1.18 6.99 0.00 -1.26 -1.34 107.32 113.47 1fy3 s GLY 129 Ca 0.50 -0.18 -0.20 0.00 0.00 0.00 0.00 44.72 44.84 1fy3 s GLY 129 CO 0.25 0.56 1.17 -1.35 0.00 0.00 0.00 173.10 173.73 1fy3 s SER 130 N -2.52 1.13 0.00 1.64 1.04 0.11 -2.33 113.70 112.77 1fy3 s SER 130 Ca 0.69 0.42 0.16 0.00 0.48 0.00 0.00 55.95 57.70 1fy3 s SER 130 Cb -0.25 -0.52 -0.10 0.00 0.10 0.00 0.00 66.02 65.25 1fy3 s SER 130 CO 0.65 -3.98 0.76 0.00 0.98 0.00 0.00 173.24 171.66 1fy3 n GLN 131 N -4.63 1.73 -3.54 4.02 3.00 -1.26 -1.10 117.38 115.61 1fy3 n GLN 131 Ca 0.15 -0.37 -0.15 0.00 -0.01 0.00 0.00 57.00 56.63 1fy3 n GLN 131 Cb 0.60 -1.27 -0.05 0.00 0.00 0.00 0.00 30.24 29.52 1fy3 n GLN 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1fy3 s ARG 132 N -2.25 1.08 0.16 -1.09 1.70 -1.26 -4.71 118.95 112.59 1fy3 s ARG 132 Ca 0.09 -0.16 -0.33 0.00 -0.47 0.00 0.00 55.73 54.87 1fy3 s ARG 132 Cb 0.13 0.50 -0.13 0.00 -0.57 0.00 0.00 34.95 34.88 1fy3 s ARG 132 CO 0.54 -0.39 1.68 0.45 -1.08 0.00 0.00 175.30 176.50 1fy3 n SER 133 N 0.40 3.54 0.00 -2.89 2.88 -1.26 -0.80 113.62 115.49 1fy3 n SER 133 Ca -0.18 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1fy3 n SER 133 Cb 0.60 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1fy3 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fy3 n GLY 134 N 3.76 0.93 3.95 0.46 0.00 -1.26 -5.03 105.19 108.00 1fy3 n GLY 134 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1fy3 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy3 s GLY 135 N -1.96 1.73 0.61 -0.02 0.00 0.02 -5.06 107.32 102.64 1fy3 s GLY 135 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 1fy3 s GLY 135 CO 0.00 -0.69 1.06 0.50 0.00 0.00 0.00 173.10 173.97 1fy3 s ARG 136 N -5.35 3.25 1.00 2.90 0.52 -1.26 -4.75 118.95 115.26 1fy3 s ARG 136 Ca 0.65 1.20 -0.12 0.00 -0.52 0.00 0.00 55.73 56.94 1fy3 s ARG 136 Cb -0.08 -2.02 0.19 0.00 0.52 0.00 0.00 34.95 33.56 1fy3 s ARG 136 CO 0.46 -0.86 1.08 -0.51 0.02 0.00 0.00 175.30 175.49 1fy3 s LEU 137 N -4.60 1.68 -0.20 2.53 1.43 -1.26 -4.09 118.68 114.17 1fy3 s LEU 137 Ca 0.63 1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 1fy3 s LEU 137 Cb -0.16 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 1fy3 s LEU 137 CO 0.39 -3.18 0.26 -0.55 0.23 0.00 0.00 176.35 173.50 1fy3 s SER 138 N -3.27 6.32 0.41 2.29 0.15 -0.45 -4.85 113.70 114.30 1fy3 s SER 138 Ca 0.65 0.36 0.16 0.00 0.70 0.00 0.00 55.95 57.83 1fy3 s SER 138 Cb -0.20 -2.16 0.88 0.00 -1.71 0.00 0.00 66.02 62.83 1fy3 s SER 138 CO 0.59 0.05 1.88 0.08 1.20 0.00 0.00 173.24 177.03 1fy3 h ARG 139 N 7.10 0.00 -6.13 5.44 0.11 -1.94 -3.43 114.38 115.53 1fy3 h ARG 139 Ca -0.39 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.16 1fy3 h ARG 139 Cb 1.16 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1fy3 h ARG 139 CO 0.72 0.31 -0.50 -0.06 0.10 0.00 0.00 179.97 180.54 1fy3 s PHE 140 N -4.16 3.34 0.42 4.08 0.08 -1.26 -0.75 117.98 119.73 1fy3 s PHE 140 Ca -0.03 0.03 -0.23 0.00 0.12 0.00 0.00 56.93 56.82 1fy3 s PHE 140 Cb 0.14 -1.58 -0.08 0.00 -0.57 0.00 0.00 43.02 40.93 1fy3 s PHE 140 CO 0.69 0.51 1.08 -2.14 -0.10 0.00 0.00 175.22 175.26 1fy3 s PRO 141 N -3.37 4.01 0.17 0.24 0.02 -1.25 -4.67 135.00 130.15 1fy3 s PRO 141 Ca 0.33 1.57 0.07 0.00 0.02 0.00 0.00 61.00 63.00 1fy3 s PRO 141 Cb -0.10 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1fy3 s PRO 141 CO 0.27 -0.29 -0.15 1.03 -0.33 0.00 0.00 177.00 177.53 1fy3 s ARG 142 N -2.63 1.24 0.04 5.54 0.52 -0.10 -0.86 118.95 122.70 1fy3 s ARG 142 Ca 0.60 -1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1fy3 s ARG 142 Cb -0.23 -1.10 -0.02 0.00 0.52 0.00 0.00 34.95 34.12 1fy3 s ARG 142 CO 0.29 0.20 0.06 -0.59 0.02 0.00 0.00 175.30 175.27 1fy3 s PHE 143 N -2.60 0.25 0.01 -0.53 -0.71 0.42 -0.73 117.98 114.09 1fy3 s PHE 143 Ca 0.18 -0.57 -0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1fy3 s PHE 143 Cb -0.03 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 1fy3 s PHE 143 CO 0.06 -0.33 -0.01 0.54 -1.34 0.00 0.00 175.22 174.13 1fy3 s VAL 144 N -2.55 0.05 0.04 -2.49 0.11 -0.63 -0.45 120.40 114.48 1fy3 s VAL 144 Ca -0.06 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1fy3 s VAL 144 Cb -0.02 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1fy3 s VAL 144 CO -0.04 -0.23 0.96 0.20 -3.33 0.00 0.00 175.10 172.65 1fy3 s ASN 145 N -0.68 7.40 0.23 3.54 0.01 -1.26 -2.04 114.94 122.13 1fy3 s ASN 145 Ca -0.07 1.69 0.06 0.00 -0.71 0.00 0.00 52.86 53.82 1fy3 s ASN 145 Cb -0.05 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1fy3 s ASN 145 CO -0.00 -0.19 -0.07 0.68 -1.51 0.00 0.00 177.10 176.01 1fy3 s VAL 146 N 0.64 1.44 -0.07 1.60 -7.23 -0.36 -4.79 120.40 111.62 1fy3 s VAL 146 Ca 0.50 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1fy3 s VAL 146 Cb -0.22 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1fy3 s VAL 146 CO 0.28 -0.44 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.55 1fy3 s THR 147 N -3.15 1.65 0.26 5.32 2.01 0.25 -0.54 115.64 121.43 1fy3 s THR 147 Ca 0.26 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 1fy3 s THR 147 Cb 0.03 -1.44 -0.11 0.00 0.01 0.00 0.00 72.50 71.00 1fy3 s THR 147 CO 0.08 0.47 1.52 -0.69 -0.69 0.00 0.00 174.62 175.31 1fy3 s VAL 148 N 0.32 2.40 0.66 3.82 1.01 -0.39 -1.26 120.40 126.96 1fy3 s VAL 148 Ca -0.13 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1fy3 s VAL 148 Cb -0.16 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1fy3 s VAL 148 CO 0.05 0.05 0.93 0.42 0.00 0.00 0.00 175.10 176.55 1fy3 s THR 149 N 0.13 2.40 0.40 3.92 -4.23 0.75 -0.52 115.64 118.49 1fy3 s THR 149 Ca 0.62 -0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.41 1fy3 s THR 149 Cb -0.45 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 1fy3 s THR 149 CO 0.44 0.00 1.34 -2.84 -0.54 0.00 0.00 174.62 173.01 1fy3 s PRO 150 N -5.07 3.99 0.28 3.99 0.02 -1.26 -4.46 135.00 132.50 1fy3 s PRO 150 Ca 0.60 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.89 1fy3 s PRO 150 Cb -0.10 -2.80 0.66 0.00 0.02 0.00 0.00 34.50 32.28 1fy3 s PRO 150 CO 0.42 -0.50 1.73 0.93 -0.33 0.00 0.00 177.00 179.25 1fy3 h GLU 151 N 2.75 0.50 -0.35 5.54 5.08 -1.96 0.13 114.58 126.28 1fy3 h GLU 151 Ca -0.50 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1fy3 h GLU 151 Cb 1.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1fy3 h GLU 151 CO 0.63 0.33 0.44 0.38 -1.00 0.00 0.00 179.01 179.79 1fy3 h ASP 152 N 0.51 0.00 -0.18 1.42 3.04 -2.02 0.50 116.42 119.70 1fy3 h ASP 152 Ca 0.53 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.32 1fy3 h ASP 152 Cb 0.91 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 1fy3 h ASP 152 CO -0.45 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 176.75 1fy3 n GLN 153 N -3.55 2.14 0.00 4.15 6.02 0.45 -4.93 117.38 121.66 1fy3 n GLN 153 Ca 0.06 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1fy3 n GLN 153 Cb 0.60 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1fy3 n GLN 153 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fy3 s ARG 155 N 1.35 0.43 0.31 0.00 1.70 -1.26 -5.00 118.95 116.49 1fy3 s ARG 155 Ca 0.00 0.13 0.04 0.00 -0.47 0.00 0.00 55.73 55.43 1fy3 s ARG 155 Cb 0.00 0.20 0.83 0.00 -0.57 0.00 0.00 34.95 35.41 1fy3 s ARG 155 CO 0.00 -0.08 1.59 -1.35 -1.08 0.00 0.00 175.30 174.37 1fy3 h PRO 156 N 5.05 0.04 0.00 3.89 0.11 -2.02 0.33 132.00 139.40 1fy3 h PRO 156 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1fy3 h PRO 156 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fy3 h PRO 156 CO 0.36 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 176.47 1fy3 n ASN 157 N -5.41 0.43 -4.13 -2.05 4.05 -1.26 -4.80 115.26 102.10 1fy3 n ASN 157 Ca 0.25 0.65 -0.23 0.00 0.45 0.00 0.00 54.58 55.70 1fy3 n ASN 157 Cb 0.82 -0.73 -0.09 0.00 1.23 0.00 0.00 39.78 41.01 1fy3 n ASN 157 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1fy3 s ASN 158 N -3.80 2.34 -0.13 1.20 0.01 0.12 -1.24 114.94 113.44 1fy3 s ASN 158 Ca 0.01 -1.59 0.02 0.00 -0.71 0.00 0.00 52.86 50.60 1fy3 s ASN 158 Cb 0.07 0.37 0.01 0.00 0.41 0.00 0.00 41.25 42.11 1fy3 s ASN 158 CO 0.24 -0.86 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.09 1fy3 s VAL 159 N -3.34 1.83 0.05 1.60 1.01 0.02 -4.56 120.40 117.01 1fy3 s VAL 159 Ca 0.30 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1fy3 s VAL 159 Cb 0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1fy3 s VAL 159 CO 0.16 0.51 -0.11 0.00 0.00 0.00 0.00 175.10 175.65 1fy3 s THR 161 N -1.05 0.23 0.30 0.00 -4.23 -0.97 -0.18 115.64 109.74 1fy3 s THR 161 Ca 0.18 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1fy3 s THR 161 Cb -0.11 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1fy3 s THR 161 CO 0.09 -0.24 0.49 -0.83 -0.54 0.00 0.00 174.62 173.59 1fy3 s GLY 162 N -3.15 0.98 0.35 3.99 0.00 -0.39 -1.25 107.32 107.85 1fy3 s GLY 162 Ca 0.31 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.92 1fy3 s GLY 162 CO 0.07 -0.80 -0.03 -1.34 0.00 0.00 0.00 173.10 171.01 1fy3 s VAL 163 N -3.45 1.87 0.10 1.40 -7.23 -1.26 -0.58 120.40 111.25 1fy3 s VAL 163 Ca 0.26 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1fy3 s VAL 163 Cb -0.01 -2.76 -0.24 0.00 0.56 0.00 0.00 36.38 33.94 1fy3 s VAL 163 CO 0.14 -0.12 1.21 -0.07 -0.31 0.00 0.00 175.10 175.95 1fy3 h LEU 164 N 2.00 0.15-10.31 1.32 3.38 -1.97 -3.46 115.31 106.41 1fy3 h LEU 164 Ca -0.42 -0.16 -0.45 0.00 0.09 0.00 0.00 57.88 56.94 1fy3 h LEU 164 Cb 1.24 -0.05 0.17 0.00 0.09 0.00 0.00 40.66 42.12 1fy3 h LEU 164 CO 0.73 1.13 0.15 0.42 0.09 0.00 0.00 178.44 180.96 1fy3 s THR 165 N -2.69 2.07 -0.29 0.22 -4.23 -1.26 -4.95 115.64 104.51 1fy3 s THR 165 Ca -0.01 0.02 0.25 0.00 -1.18 0.00 0.00 61.69 60.77 1fy3 s THR 165 Cb 0.09 -2.42 0.33 0.00 1.34 0.00 0.00 72.50 71.84 1fy3 s THR 165 CO 0.84 -0.03 1.69 -0.09 -0.54 0.00 0.00 174.62 176.49 1fy3 h ARG 166 N -2.06 0.00 -2.38 3.99 2.43 -1.90 -3.42 114.38 111.04 1fy3 h ARG 166 Ca -0.56 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.33 1fy3 h ARG 166 Cb 1.33 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 30.54 1fy3 h ARG 166 CO 0.56 0.04 -0.59 1.03 -1.51 0.00 0.00 179.97 179.50 1fy3 s ARG 167 N -3.31 0.23 -0.21 0.20 1.81 -1.26 -4.34 118.95 112.08 1fy3 s ARG 167 Ca 0.05 0.30 -0.27 0.00 -1.72 0.00 0.00 55.73 54.09 1fy3 s ARG 167 Cb 0.06 -1.00 0.10 0.00 -0.45 0.00 0.00 34.95 33.66 1fy3 s ARG 167 CO 0.65 -0.64 0.89 0.20 -0.68 0.00 0.00 175.30 175.71 1fy3 s GLY 168 N 2.38 -0.35 0.00 -3.53 0.00 -1.01 -3.74 107.32 101.07 1fy3 s GLY 168 Ca 0.08 2.12 0.00 0.00 0.00 0.00 0.00 44.72 46.92 1fy3 s GLY 168 CO -0.13 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.04 1fy3 n GLY 169 N 1.71 0.93 3.85 0.20 0.00 -0.25 -4.13 105.19 107.50 1fy3 n GLY 169 Ca -0.13 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1fy3 n GLY 169 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fy3 s ILE 170 N -2.61 4.47 0.00 -0.61 -4.36 -1.26 0.52 121.20 117.35 1fy3 s ILE 170 Ca 0.00 0.93 0.00 0.00 -0.26 0.00 0.00 60.65 61.32 1fy3 s ILE 170 Cb 0.00 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1fy3 s ILE 170 CO 0.00 -0.92 0.00 0.00 0.24 0.00 0.00 174.94 174.26 1fy3 n ASN 172 N -1.76 3.34 0.00 0.00 4.13 -1.26 -1.48 115.26 118.22 1fy3 n ASN 172 Ca 0.00 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.31 1fy3 n ASN 172 Cb 0.00 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 36.80 1fy3 n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fy3 n GLY 173 N 3.75 0.76 0.00 7.41 0.00 -1.26 0.10 105.19 115.95 1fy3 n GLY 173 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1fy3 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fy3 n ASP 174 N 0.00 0.74 -4.66 1.61 8.00 -0.55 -3.53 116.55 118.16 1fy3 n ASP 174 Ca 0.00 -0.60 -0.46 0.00 0.71 0.00 0.00 54.79 54.44 1fy3 n ASP 174 Cb 0.00 0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 41.73 1fy3 n ASP 174 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1fy3 n GLN 175 N -1.55 2.08 0.00 -1.24 7.27 -1.26 -0.98 117.38 121.70 1fy3 n GLN 175 Ca 0.04 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.86 1fy3 n GLN 175 Cb 0.34 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.48 1fy3 n GLN 175 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fy3 n GLY 176 N 3.37 3.39 3.78 1.69 0.00 0.60 -0.77 105.19 117.24 1fy3 n GLY 176 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1fy3 n GLY 176 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fy3 s THR 177 N -2.61 3.37 0.50 2.61 -1.32 -0.15 -3.43 115.64 114.62 1fy3 s THR 177 Ca 0.00 0.97 -0.18 0.00 -1.21 0.00 0.00 61.69 61.27 1fy3 s THR 177 Cb 0.00 -3.46 -0.08 0.00 -1.51 0.00 0.00 72.50 67.45 1fy3 s THR 177 CO 0.00 -0.07 1.00 -2.16 -2.21 0.00 0.00 174.62 171.18 1fy3 s PRO 178 N -2.85 3.88 -0.26 7.08 0.04 -1.26 -0.34 135.00 141.29 1fy3 s PRO 178 Ca 0.65 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1fy3 s PRO 178 Cb -0.24 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1fy3 s PRO 178 CO 0.29 -0.33 0.14 -1.17 0.04 0.00 0.00 177.00 175.97 1fy3 s LEU 179 N -3.85 3.84 -0.23 -3.56 2.96 0.59 -4.31 118.68 114.11 1fy3 s LEU 179 Ca 0.62 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1fy3 s LEU 179 Cb -0.12 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1fy3 s LEU 179 CO 0.26 -0.02 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.56 1fy3 s VAL 180 N 1.57 3.50 -0.06 1.68 1.01 -0.43 -1.52 120.40 126.15 1fy3 s VAL 180 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1fy3 s VAL 180 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1fy3 s VAL 180 CO 0.08 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.39 1fy3 n GLU 182 N 3.37 -2.38 -0.86 0.00 1.02 -1.26 -0.26 120.64 120.27 1fy3 n GLU 182 Ca -0.19 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1fy3 n GLU 182 Cb 0.53 -4.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.38 1fy3 n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fy3 n GLY 183 N -1.76 1.03 3.59 0.62 0.00 -1.26 -5.03 105.19 102.38 1fy3 n GLY 183 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1fy3 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fy3 s LEU 184 N 0.00 3.03 -1.02 0.99 1.02 0.65 -4.53 118.68 118.82 1fy3 s LEU 184 Ca 0.00 -0.65 -0.21 0.00 0.02 0.00 0.00 54.13 53.29 1fy3 s LEU 184 Cb 0.00 -1.63 0.08 0.00 0.02 0.00 0.00 46.19 44.67 1fy3 s LEU 184 CO 0.00 0.05 1.37 0.00 0.02 0.00 0.00 176.35 177.79 1fy3 s ALA 185 N -2.05 3.04 -0.51 4.21 0.00 -0.65 -0.77 121.76 125.02 1fy3 s ALA 185 Ca 0.28 -2.53 0.24 0.00 0.00 0.00 0.00 51.96 49.95 1fy3 s ALA 185 Cb -0.07 -4.36 0.41 0.00 0.00 0.00 0.00 23.12 19.09 1fy3 s ALA 185 CO 0.17 -3.34 1.53 0.45 0.00 0.00 0.00 175.76 174.57 1fy3 h HIS 186 N 9.17 0.00 -3.77 0.00 3.86 -1.58 -3.39 115.15 119.44 1fy3 h HIS 186 Ca 0.21 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1fy3 h HIS 186 Cb 1.00 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.34 1fy3 h HIS 186 CO 1.25 0.00 -0.27 0.20 0.86 0.00 0.00 177.93 179.96 1fy3 s GLY 187 N -4.01 0.28 -0.17 2.45 0.00 -1.13 -1.68 107.32 103.07 1fy3 s GLY 187 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.09 1fy3 s GLY 187 CO 0.68 -0.73 -0.08 0.14 0.00 0.00 0.00 173.10 173.11 1fy3 s VAL 188 N -3.92 1.34 -0.08 1.40 1.01 -1.05 -0.30 120.40 118.79 1fy3 s VAL 188 Ca 0.13 -0.72 -0.36 0.00 0.00 0.00 0.00 61.98 61.03 1fy3 s VAL 188 Cb 0.03 -1.43 -0.14 0.00 0.00 0.00 0.00 36.38 34.85 1fy3 s VAL 188 CO -0.03 0.21 1.73 0.00 0.00 0.00 0.00 175.10 177.01 1fy3 n ALA 189 N 4.81 0.44 -0.00 5.51 0.00 0.54 -0.17 120.51 131.64 1fy3 n ALA 189 Ca -0.14 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 1fy3 n ALA 189 Cb 0.48 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 1fy3 n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fy3 n SER 190 N 5.28 1.26 -3.66 0.00 2.88 -0.10 -0.29 113.62 119.00 1fy3 n SER 190 Ca 0.22 0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.88 1fy3 n SER 190 Cb 0.23 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1fy3 n SER 190 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fy3 s PHE 191 N -2.19 -0.28 -0.07 0.66 -0.71 -0.90 -4.89 117.98 109.59 1fy3 s PHE 191 Ca -0.10 -0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 55.65 1fy3 s PHE 191 Cb 0.01 0.62 0.03 0.00 -1.21 0.00 0.00 43.02 42.47 1fy3 s PHE 191 CO 0.15 -0.90 0.33 -1.54 -1.34 0.00 0.00 175.22 171.92 1fy3 s SER 192 N -2.80 -0.28 -0.05 1.98 1.04 -1.26 -0.35 113.70 111.97 1fy3 s SER 192 Ca 0.08 0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.89 1fy3 s SER 192 Cb -0.03 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1fy3 s SER 192 CO -0.02 -0.29 0.01 -0.76 0.98 0.00 0.00 173.24 173.15 1fy3 s LEU 193 N -0.60 3.59 0.00 2.42 1.43 -1.26 -4.99 118.68 119.27 1fy3 s LEU 193 Ca -0.07 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1fy3 s LEU 193 Cb -0.04 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1fy3 s LEU 193 CO 0.03 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1fy3 n GLY 194 N 1.84 0.36 3.74 -3.19 0.00 -1.26 -4.69 105.19 101.98 1fy3 n GLY 194 Ca -0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1fy3 n GLY 194 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fy3 s PRO 195 N 0.00 4.45 0.28 1.61 0.02 -1.26 -4.94 135.00 135.16 1fy3 s PRO 195 Ca 0.00 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 1fy3 s PRO 195 Cb 0.00 -3.23 -0.13 0.00 0.02 0.00 0.00 34.50 31.16 1fy3 s PRO 195 CO 0.00 -0.16 1.34 0.00 -0.33 0.00 0.00 177.00 177.85 1fy3 n GLY 197 N 1.58 2.61 0.21 0.00 0.00 -1.26 -4.66 105.19 103.66 1fy3 n GLY 197 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1fy3 n GLY 197 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fy3 h ARG 198 N 2.49 0.65 0.00 1.61 2.43 -1.35 -2.68 114.38 117.53 1fy3 h ARG 198 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1fy3 h ARG 198 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1fy3 h ARG 198 CO 0.00 0.51 0.00 0.41 -1.51 0.00 0.00 179.97 179.38 1fy3 n GLY 199 N -1.00 1.16 3.95 2.80 0.00 -1.26 -4.96 105.19 105.88 1fy3 n GLY 199 Ca 0.01 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1fy3 n GLY 199 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fy3 s PRO 200 N -3.56 3.01 0.05 1.61 0.04 -1.26 -4.89 135.00 130.01 1fy3 s PRO 200 Ca 0.00 -0.47 -0.20 0.00 0.04 0.00 0.00 61.00 60.37 1fy3 s PRO 200 Cb 0.00 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1fy3 s PRO 200 CO 0.00 -0.34 0.59 -0.51 0.04 0.00 0.00 177.00 176.78 1fy3 s ASP 201 N -4.24 7.05 -0.21 6.66 1.01 -0.38 -4.46 116.67 122.09 1fy3 s ASP 201 Ca 0.50 1.25 -0.06 0.00 0.71 0.00 0.00 52.55 54.95 1fy3 s ASP 201 Cb -0.10 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1fy3 s ASP 201 CO 0.39 0.21 0.02 -0.36 0.21 0.00 0.00 175.17 175.64 1fy3 s PHE 202 N -0.78 3.06 -0.02 4.23 0.40 0.53 -2.28 117.98 123.12 1fy3 s PHE 202 Ca 0.30 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1fy3 s PHE 202 Cb -0.19 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 1fy3 s PHE 202 CO 0.19 -0.25 -0.22 -0.06 0.70 0.00 0.00 175.22 175.58 1fy3 s PHE 203 N 1.13 2.47 0.29 0.36 0.40 -0.26 -0.92 117.98 121.44 1fy3 s PHE 203 Ca 0.03 -0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 55.74 1fy3 s PHE 203 Cb -0.14 -1.53 -0.10 0.00 0.51 0.00 0.00 43.02 41.75 1fy3 s PHE 203 CO 0.02 0.07 1.42 0.99 0.70 0.00 0.00 175.22 178.42 1fy3 s THR 204 N -0.69 2.58 -0.70 0.64 2.01 0.76 -0.80 115.64 119.45 1fy3 s THR 204 Ca 0.11 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 1fy3 s THR 204 Cb -0.10 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1fy3 s THR 204 CO 0.00 0.10 1.49 -0.60 -0.69 0.00 0.00 174.62 174.92 1fy3 s ARG 205 N -0.94 2.99 0.23 4.92 3.52 -0.37 -2.54 118.95 126.76 1fy3 s ARG 205 Ca 0.56 0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 56.15 1fy3 s ARG 205 Cb -0.42 -4.26 0.32 0.00 -1.56 0.00 0.00 34.95 29.03 1fy3 s ARG 205 CO 0.48 -2.36 1.83 0.28 -0.81 0.00 0.00 175.30 174.72 1fy3 h VAL 206 N 6.33 0.99 -0.19 7.11 2.07 -1.60 -2.37 116.25 128.59 1fy3 h VAL 206 Ca -0.27 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1fy3 h VAL 206 Cb 1.09 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1fy3 h VAL 206 CO 1.26 0.15 0.34 0.00 0.02 0.00 0.00 177.57 179.34 1fy3 h ALA 207 N 1.40 1.69 0.00 1.67 0.00 -1.85 0.35 119.26 122.52 1fy3 h ALA 207 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1fy3 h ALA 207 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fy3 h ALA 207 CO -0.19 -0.44 -0.14 -0.07 0.00 0.00 0.00 179.25 178.40 1fy3 h LEU 208 N 0.00 0.00 -2.11 0.00 3.38 -1.75 0.11 115.31 114.94 1fy3 h LEU 208 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1fy3 h LEU 208 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1fy3 h LEU 208 CO -0.00 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.16 1fy3 n PHE 209 N -3.25 0.26 -0.15 1.13 3.01 0.12 -4.74 117.46 113.84 1fy3 n PHE 209 Ca 0.01 -0.21 -0.03 0.00 1.01 0.00 0.00 57.45 58.23 1fy3 n PHE 209 Cb 0.42 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.92 1fy3 n PHE 209 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1fy3 h ARG 210 N 2.77 0.04 -0.68 -1.08 9.65 -1.58 0.22 114.38 123.71 1fy3 h ARG 210 Ca 0.00 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1fy3 h ARG 210 Cb 0.69 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 1fy3 h ARG 210 CO 0.00 0.02 0.39 -0.44 2.80 0.00 0.00 179.97 182.74 1fy3 h ASP 211 N 0.04 0.84 -0.45 -3.80 3.32 -1.87 -1.32 116.42 113.19 1fy3 h ASP 211 Ca 0.24 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1fy3 h ASP 211 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1fy3 h ASP 211 CO -0.47 0.68 0.03 -0.25 -1.72 0.00 0.00 179.24 177.51 1fy3 h TRP 212 N 0.93 0.83 -0.76 4.55 7.01 -1.62 -2.24 115.95 124.65 1fy3 h TRP 212 Ca 0.24 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1fy3 h TRP 212 Cb 0.01 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 1fy3 h TRP 212 CO -0.01 0.80 0.49 0.82 -2.79 0.00 0.00 178.44 177.75 1fy3 h ILE 213 N 0.62 1.14 -0.95 2.65 2.04 -0.41 -2.02 117.51 120.57 1fy3 h ILE 213 Ca 0.13 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1fy3 h ILE 213 Cb 0.45 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1fy3 h ILE 213 CO 0.02 0.18 0.61 0.44 0.00 0.00 0.00 178.15 179.39 1fy3 h ASP 214 N 0.97 0.99 -0.65 1.72 3.32 -0.99 0.12 116.42 121.89 1fy3 h ASP 214 Ca 0.30 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1fy3 h ASP 214 Cb -0.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1fy3 h ASP 214 CO -0.10 0.64 0.42 1.23 -1.72 0.00 0.00 179.24 179.72 1fy3 h GLY 215 N 1.13 0.93 0.77 2.75 0.00 -0.77 -1.49 103.07 106.38 1fy3 h GLY 215 Ca 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1fy3 h GLY 215 CO -0.16 0.35 -0.09 -2.08 0.00 0.00 0.00 176.54 174.56 1fy3 h VAL 216 N 0.89 0.91 -0.87 4.60 2.07 -0.63 -2.73 116.25 120.48 1fy3 h VAL 216 Ca 0.24 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1fy3 h VAL 216 Cb -0.08 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1fy3 h VAL 216 CO -0.05 0.11 0.56 -0.07 0.02 0.00 0.00 177.57 178.14 1fy3 h LEU 217 N -0.49 0.64 -0.94 2.57 3.38 -0.69 -0.68 115.31 119.11 1fy3 h LEU 217 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fy3 h LEU 217 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1fy3 h LEU 217 CO 0.04 0.34 0.00 0.59 0.09 0.00 0.00 178.44 179.50 1fy3 n ASN 218 N -4.55 1.42 -3.02 -0.43 4.13 -0.57 -4.23 115.26 108.00 1fy3 n ASN 218 Ca 0.16 -1.62 -0.15 0.00 1.68 0.00 0.00 54.58 54.65 1fy3 n ASN 218 Cb 0.45 -0.07 -0.01 0.00 -1.54 0.00 0.00 39.78 38.60 1fy3 n ASN 218 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1fy3 n ASN 219 N 0.15 1.08 -4.68 6.41 3.02 -0.26 -5.06 115.26 115.91 1fy3 n ASN 219 Ca 0.17 -2.93 -0.40 0.00 -0.03 0.00 0.00 54.58 51.39 1fy3 n ASN 219 Cb 0.30 -0.59 0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1fy3 n ASN 219 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1fy3 n PRO 220 N 0.17 1.56 0.00 3.52 -0.04 -1.21 -4.90 135.00 134.10 1fy3 n PRO 220 Ca 0.20 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1fy3 n PRO 220 Cb 0.71 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1fy3 n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fy3 n GLY 221 N 0.97 4.10 0.00 0.55 0.00 -1.26 -4.92 105.19 104.62 1fy3 n GLY 221 Ca 0.09 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1fy3 n GLY 221 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fy3 n PRO 222 N -1.93 0.11 0.00 1.61 -0.04 -1.26 -4.92 135.00 128.57 1fy3 n PRO 222 Ca 0.00 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1fy3 n PRO 222 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1fy3 n PRO 222 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fy3 n GLY 223 N 0.22 -2.35 3.56 0.55 0.00 -1.26 -4.90 105.19 101.02 1fy3 n GLY 223 Ca 0.06 -1.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.05 1fy3 n GLY 223 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fy3 n PRO 224 N -0.72 1.10 0.00 1.61 -0.02 -1.26 -5.25 135.00 130.45 1fy3 n PRO 224 Ca 0.00 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 1fy3 n PRO 224 Cb 0.00 -1.76 0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1fy3 n PRO 224 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48