#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fy1 s VAL 2 N 0.00 5.31 -0.77 1.39 1.01 -0.47 -4.23 120.40 122.64 1fy1 s VAL 2 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1fy1 s VAL 2 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1fy1 s VAL 2 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1fy1 n GLY 3 N 2.12 0.38 3.62 4.51 0.00 -1.26 -1.77 105.19 112.80 1fy1 n GLY 3 Ca -0.19 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1fy1 n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy1 s GLY 4 N -2.73 2.71 0.37 -0.02 0.00 -1.26 -4.80 107.32 101.59 1fy1 s GLY 4 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1fy1 s GLY 4 CO 0.00 -2.01 0.54 0.50 0.00 0.00 0.00 173.10 172.13 1fy1 s ARG 5 N -3.80 3.15 0.06 2.90 0.52 -0.11 -4.80 118.95 116.87 1fy1 s ARG 5 Ca 0.19 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.38 1fy1 s ARG 5 Cb 0.04 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 1fy1 s ARG 5 CO 0.10 -0.03 0.84 0.21 0.02 0.00 0.00 175.30 176.45 1fy1 s LYS 6 N -4.31 4.57 0.58 3.54 2.20 -1.26 -0.31 119.74 124.74 1fy1 s LYS 6 Ca 0.45 1.21 -0.05 0.00 -0.36 0.00 0.00 55.97 57.22 1fy1 s LYS 6 Cb -0.10 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1fy1 s LYS 6 CO 0.34 0.23 0.88 0.00 -0.36 0.00 0.00 175.35 176.43 1fy1 s ALA 7 N 0.06 3.36 0.28 3.13 0.00 0.80 -4.90 121.76 124.49 1fy1 s ALA 7 Ca 0.42 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1fy1 s ALA 7 Cb -0.21 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1fy1 s ALA 7 CO 0.25 -0.77 0.46 1.03 0.00 0.00 0.00 175.76 176.73 1fy1 s ARG 8 N -4.95 3.50 0.43 0.00 0.52 -1.26 -4.81 118.95 112.37 1fy1 s ARG 8 Ca 0.54 -0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 55.09 1fy1 s ARG 8 Cb -0.10 -2.76 -0.10 0.00 0.52 0.00 0.00 34.95 32.50 1fy1 s ARG 8 CO 0.44 0.29 1.24 -2.30 0.02 0.00 0.00 175.30 174.99 1fy1 n PRO 9 N -1.30 1.84 -1.49 3.54 -0.02 -1.26 -2.19 135.00 134.12 1fy1 n PRO 9 Ca -0.05 0.66 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 1fy1 n PRO 9 Cb 0.55 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1fy1 n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fy1 n ARG 10 N 0.01 -1.15 0.14 -0.52 1.74 -1.26 -4.88 116.66 110.73 1fy1 n ARG 10 Ca 0.07 1.08 0.01 0.00 -0.77 0.00 0.00 57.85 58.24 1fy1 n ARG 10 Cb 0.40 -5.29 0.13 0.00 -1.02 0.00 0.00 32.46 26.68 1fy1 n ARG 10 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1fy1 h GLN 11 N 0.00 0.00 -2.46 5.56 4.15 -1.84 -3.38 115.11 117.14 1fy1 h GLN 11 Ca -0.34 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.49 1fy1 h GLN 11 Cb 1.08 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 28.39 1fy1 h GLN 11 CO 0.50 0.60 -0.92 -0.06 -1.93 0.00 0.00 178.83 177.01 1fy1 s PHE 12 N -3.28 1.08 -2.00 3.99 0.08 -1.26 -5.01 117.98 111.58 1fy1 s PHE 12 Ca 0.01 -2.17 0.24 0.00 0.12 0.00 0.00 56.93 55.13 1fy1 s PHE 12 Cb 0.10 -0.99 1.45 0.00 -0.57 0.00 0.00 43.02 43.01 1fy1 s PHE 12 CO 0.75 -0.82 1.89 -0.35 -0.10 0.00 0.00 175.22 176.59 1fy1 n PRO 13 N 3.16 0.93 0.05 0.24 -0.05 -1.26 -3.08 135.00 134.98 1fy1 n PRO 13 Ca 0.24 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.81 1fy1 n PRO 13 Cb 0.44 -1.41 0.04 0.00 -0.05 0.00 0.00 33.50 32.52 1fy1 n PRO 13 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1fy1 n PHE 14 N -0.91 0.45 -1.98 0.54 1.16 -1.25 -0.24 117.46 115.23 1fy1 n PHE 14 Ca 0.18 0.13 -0.42 0.00 -1.87 0.00 0.00 57.45 55.47 1fy1 n PHE 14 Cb 0.08 -0.59 -0.03 0.00 -1.61 0.00 0.00 39.48 37.33 1fy1 n PHE 14 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fy1 s LEU 15 N -4.30 4.37 0.16 5.98 2.96 -1.18 -0.60 118.68 126.07 1fy1 s LEU 15 Ca 0.03 2.59 0.08 0.00 -0.22 0.00 0.00 54.13 56.61 1fy1 s LEU 15 Cb 0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1fy1 s LEU 15 CO 0.79 -0.78 -0.09 0.00 -1.32 0.00 0.00 176.35 174.94 1fy1 s ALA 16 N 0.97 2.95 -0.24 5.97 0.00 -0.67 -4.26 121.76 126.48 1fy1 s ALA 16 Ca 0.68 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1fy1 s ALA 16 Cb -0.43 -0.78 0.06 0.00 0.00 0.00 0.00 23.12 21.98 1fy1 s ALA 16 CO 0.33 0.51 -0.06 0.45 0.00 0.00 0.00 175.76 176.98 1fy1 s SER 17 N -2.68 3.89 -0.14 0.00 0.15 -0.94 -2.62 113.70 111.35 1fy1 s SER 17 Ca 0.24 -1.18 -0.23 0.00 0.70 0.00 0.00 55.95 55.47 1fy1 s SER 17 Cb -0.09 -1.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 1fy1 s SER 17 CO 0.15 -0.22 0.73 -0.63 1.20 0.00 0.00 173.24 174.46 1fy1 s ILE 18 N 1.36 4.98 0.21 6.45 1.09 -0.27 -0.94 121.20 134.07 1fy1 s ILE 18 Ca -0.06 1.44 0.08 0.00 -1.10 0.00 0.00 60.65 61.01 1fy1 s ILE 18 Cb -0.19 -4.05 -0.05 0.00 -1.06 0.00 0.00 42.46 37.12 1fy1 s ILE 18 CO -0.06 0.13 -0.16 -1.10 -0.10 0.00 0.00 174.94 173.65 1fy1 s GLN 19 N 1.61 1.36 -0.12 2.79 -0.21 -0.70 -1.20 119.66 123.19 1fy1 s GLN 19 Ca 0.35 -1.58 -0.01 0.00 0.02 0.00 0.00 55.36 54.14 1fy1 s GLN 19 Cb -0.17 -1.23 0.03 0.00 1.00 0.00 0.00 33.01 32.65 1fy1 s GLN 19 CO 0.14 0.21 -0.03 1.21 -2.12 0.00 0.00 175.29 174.70 1fy1 s ASN 20 N -3.25 2.17 -1.08 5.90 3.84 0.10 -0.60 114.94 122.02 1fy1 s ASN 20 Ca 0.22 -0.35 -0.05 0.00 0.21 0.00 0.00 52.86 52.90 1fy1 s ASN 20 Cb -0.02 -0.68 0.04 0.00 -0.55 0.00 0.00 41.25 40.04 1fy1 s ASN 20 CO 0.08 -0.18 0.26 0.00 -2.79 0.00 0.00 177.10 174.47 1fy1 n GLN 21 N 5.02 -2.90 -0.24 0.43 1.13 -1.26 0.73 117.38 120.29 1fy1 n GLN 21 Ca -0.10 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 1fy1 n GLN 21 Cb 0.49 -5.12 0.00 0.00 0.11 0.00 0.00 30.24 25.72 1fy1 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fy1 n GLY 22 N -0.97 1.76 3.87 1.08 0.00 -1.26 -5.03 105.19 104.65 1fy1 n GLY 22 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1fy1 n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fy1 s SER 23 N -3.31 6.56 -0.27 1.61 0.15 0.22 -5.01 113.70 113.66 1fy1 s SER 23 Ca 0.00 0.66 -0.29 0.00 0.70 0.00 0.00 55.95 57.02 1fy1 s SER 23 Cb 0.00 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1fy1 s SER 23 CO 0.00 0.24 1.26 -2.28 1.20 0.00 0.00 173.24 173.66 1fy1 s HIS 24 N -1.30 2.80 -0.23 3.44 2.46 -1.26 0.01 115.29 121.22 1fy1 s HIS 24 Ca 0.28 0.96 0.05 0.00 0.47 0.00 0.00 55.06 56.83 1fy1 s HIS 24 Cb -0.14 -3.76 -0.17 0.00 -0.13 0.00 0.00 32.58 28.38 1fy1 s HIS 24 CO 0.16 -1.56 -0.15 0.39 -2.47 0.00 0.00 174.74 171.11 1fy1 n GLU 25 N 7.05 0.68 -3.76 2.88 -0.58 -0.34 -4.97 120.64 121.60 1fy1 n GLU 25 Ca 0.14 0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.90 1fy1 n GLU 25 Cb 0.46 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 1fy1 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fy1 n GLY 27 N -0.42 0.90 4.03 0.00 0.00 0.08 -1.12 105.19 108.66 1fy1 n GLY 27 Ca -0.07 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 43.94 1fy1 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy1 s GLY 28 N -4.63 -0.21 0.01 -0.02 0.00 -1.08 -4.09 107.32 97.30 1fy1 s GLY 28 Ca 0.56 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1fy1 s GLY 28 CO 0.37 6.80 -0.02 0.00 0.00 0.00 0.00 173.10 180.25 1fy1 s ALA 29 N -2.00 0.10 -0.40 3.20 0.00 -0.94 -1.66 121.76 120.05 1fy1 s ALA 29 Ca 0.32 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 1fy1 s ALA 29 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1fy1 s ALA 29 CO -0.03 -0.04 0.87 -1.17 0.00 0.00 0.00 175.76 175.39 1fy1 s LEU 30 N -0.52 4.06 0.00 0.00 2.96 0.23 -0.67 118.68 124.74 1fy1 s LEU 30 Ca -0.05 0.35 0.12 0.00 -0.22 0.00 0.00 54.13 54.32 1fy1 s LEU 30 Cb -0.04 -3.15 -0.06 0.00 0.50 0.00 0.00 46.19 43.44 1fy1 s LEU 30 CO -0.00 -0.87 0.60 2.30 -1.32 0.00 0.00 176.35 177.05 1fy1 n ILE 31 N 6.04 0.00 -3.58 6.68 -5.35 -0.93 -0.16 119.36 122.06 1fy1 n ILE 31 Ca 0.05 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 1fy1 n ILE 31 Cb 0.48 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 1fy1 n ILE 31 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1fy1 s HIS 32 N -1.81 -0.60 -0.78 4.28 5.04 -1.21 -4.78 115.29 115.44 1fy1 s HIS 32 Ca 0.07 1.23 0.00 0.00 -1.54 0.00 0.00 55.06 54.82 1fy1 s HIS 32 Cb 0.09 0.37 0.00 0.00 0.04 0.00 0.00 32.58 33.09 1fy1 s HIS 32 CO 0.39 -0.43 0.57 0.00 -2.34 0.00 0.00 174.74 172.93 1fy1 n ALA 33 N 1.55 0.66 -0.70 1.58 0.00 -1.26 -0.78 120.51 121.56 1fy1 n ALA 33 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1fy1 n ALA 33 Cb 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1fy1 n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fy1 n ARG 34 N -1.07 0.04 -4.15 0.00 0.63 -1.26 -0.43 116.66 110.42 1fy1 n ARG 34 Ca 0.00 -0.33 -0.16 0.00 -0.92 0.00 0.00 57.85 56.44 1fy1 n ARG 34 Cb 0.13 -0.65 -0.11 0.00 0.45 0.00 0.00 32.46 32.28 1fy1 n ARG 34 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1fy1 s PHE 35 N -0.08 1.06 -0.05 -0.14 0.40 0.04 -1.19 117.98 118.02 1fy1 s PHE 35 Ca 0.00 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1fy1 s PHE 35 Cb 0.00 -0.59 0.02 0.00 0.51 0.00 0.00 43.02 42.95 1fy1 s PHE 35 CO 0.00 0.01 -0.09 0.08 0.70 0.00 0.00 175.22 175.92 1fy1 s VAL 36 N -1.73 0.87 -0.04 -0.44 1.01 -0.58 -2.18 120.40 117.31 1fy1 s VAL 36 Ca -0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1fy1 s VAL 36 Cb -0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1fy1 s VAL 36 CO 0.01 0.29 0.34 -0.32 0.00 0.00 0.00 175.10 175.42 1fy1 s MET 37 N 0.68 3.85 0.39 2.72 1.75 0.16 -0.73 119.30 128.12 1fy1 s MET 37 Ca -0.12 0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 54.44 1fy1 s MET 37 Cb -0.14 -3.24 0.05 0.00 2.84 0.00 0.00 34.83 34.34 1fy1 s MET 37 CO 0.02 0.66 0.77 -0.08 -0.65 0.00 0.00 175.02 175.74 1fy1 s THR 38 N -0.89 0.00 0.08 10.11 -1.32 -0.31 -2.22 115.64 121.08 1fy1 s THR 38 Ca 0.21 -1.06 -0.28 0.00 -1.21 0.00 0.00 61.69 59.36 1fy1 s THR 38 Cb -0.15 -2.96 -0.05 0.00 -1.51 0.00 0.00 72.50 67.83 1fy1 s THR 38 CO 0.10 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.39 1fy1 s ALA 39 N -2.19 3.29 0.32 11.08 0.00 -1.26 -0.98 121.76 132.02 1fy1 s ALA 39 Ca 0.17 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1fy1 s ALA 39 Cb -0.05 -3.16 0.55 0.00 0.00 0.00 0.00 23.12 20.46 1fy1 s ALA 39 CO 0.13 0.00 1.90 0.00 0.00 0.00 0.00 175.76 177.79 1fy1 h ALA 40 N 5.68 1.37 0.00 0.00 0.00 -1.74 -2.42 119.26 122.16 1fy1 h ALA 40 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1fy1 h ALA 40 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1fy1 h ALA 40 CO 0.72 0.46 0.04 -1.13 0.00 0.00 0.00 179.25 179.34 1fy1 n SER 41 N -4.32 0.31 0.13 0.00 3.41 -1.26 -0.38 113.62 111.51 1fy1 n SER 41 Ca 0.03 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1fy1 n SER 41 Cb 0.18 -0.65 0.41 0.00 -0.26 0.00 0.00 64.21 63.89 1fy1 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fy1 n PHE 43 N -2.36 1.36 0.00 0.00 3.72 0.49 -4.84 117.46 115.83 1fy1 n PHE 43 Ca 0.05 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1fy1 n PHE 43 Cb 0.40 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1fy1 n PHE 43 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1fy1 n GLN 44 N 0.13 1.93 0.00 -1.08 1.13 -1.24 -4.96 117.38 113.30 1fy1 n GLN 44 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1fy1 n GLN 44 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.25 1fy1 n GLN 44 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1fy1 n SER 45 N 0.00 0.00 -0.96 1.08 3.41 -1.26 -4.63 113.62 111.26 1fy1 n SER 45 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fy1 n SER 45 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fy1 n SER 45 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1fy1 n GLN 46 N 0.00 0.00 0.00 4.33 7.27 -1.26 -4.63 117.38 123.09 1fy1 n GLN 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1fy1 n GLN 46 Cb 0.00 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.29 1fy1 n GLN 46 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1fy1 n ASN 47 N -0.96 0.00 0.00 1.69 4.13 -1.26 -5.07 115.26 113.79 1fy1 n ASN 47 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1fy1 n ASN 47 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1fy1 n ASN 47 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1fy1 n PRO 48 N 0.00 0.00 -0.31 3.52 -0.02 -1.26 -3.40 135.00 133.54 1fy1 n PRO 48 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1fy1 n PRO 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1fy1 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fy1 n GLY 49 N -0.65 0.36 0.59 -1.23 0.00 -1.26 -4.68 105.19 98.31 1fy1 n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fy1 n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fy1 n VAL 50 N 0.00 0.12 -1.99 1.61 0.24 -1.22 -4.81 118.33 112.28 1fy1 n VAL 50 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1fy1 n VAL 50 Cb 0.54 -0.43 0.13 0.00 -1.47 0.00 0.00 33.84 32.61 1fy1 n VAL 50 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1fy1 s SER 51 N -0.09 3.98 0.39 -1.34 0.01 -1.26 -4.71 113.70 110.68 1fy1 s SER 51 Ca 0.00 0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.76 1fy1 s SER 51 Cb 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1fy1 s SER 51 CO 0.00 -2.19 0.07 -0.89 0.41 0.00 0.00 173.24 170.63 1fy1 s THR 52 N -3.63 1.07 -0.11 1.44 2.01 0.23 -4.41 115.64 112.24 1fy1 s THR 52 Ca 0.67 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.63 1fy1 s THR 52 Cb -0.08 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.91 1fy1 s THR 52 CO 0.50 0.00 0.10 -0.69 -0.69 0.00 0.00 174.62 173.84 1fy1 s VAL 53 N -3.14 -0.15 -0.28 3.82 1.01 0.82 -1.73 120.40 120.75 1fy1 s VAL 53 Ca 0.27 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1fy1 s VAL 53 Cb 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1fy1 s VAL 53 CO 0.13 -0.03 0.14 -0.69 0.00 0.00 0.00 175.10 174.65 1fy1 s VAL 54 N 2.19 4.74 0.20 2.92 1.01 -0.12 -1.12 120.40 130.22 1fy1 s VAL 54 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1fy1 s VAL 54 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1fy1 s VAL 54 CO -0.07 0.21 0.27 -0.76 0.00 0.00 0.00 175.10 174.75 1fy1 s LEU 55 N 1.66 4.17 0.00 3.92 1.43 -0.11 -2.23 118.68 127.53 1fy1 s LEU 55 Ca 0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1fy1 s LEU 55 Cb -0.16 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1fy1 s LEU 55 CO 0.07 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1fy1 n GLY 56 N -0.89 0.60 3.70 -3.19 0.00 -1.26 -1.81 105.19 102.34 1fy1 n GLY 56 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1fy1 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fy1 s ALA 57 N -2.63 1.37 0.00 4.61 0.00 -1.26 -4.31 121.76 119.54 1fy1 s ALA 57 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1fy1 s ALA 57 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1fy1 s ALA 57 CO 0.00 -2.50 0.00 0.98 0.00 0.00 0.00 175.76 174.24 1fy1 n TYR 58 N -3.98 -0.33 -3.07 0.00 9.36 -1.26 -4.91 117.16 112.97 1fy1 n TYR 58 Ca 0.07 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.86 1fy1 n TYR 58 Cb 0.55 0.31 -0.06 0.00 -0.63 0.00 0.00 39.34 39.51 1fy1 n TYR 58 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1fy1 s ASP 59 N -1.62 6.36 0.62 2.98 -1.08 -1.26 -4.12 116.67 118.55 1fy1 s ASP 59 Ca 0.00 -0.23 0.31 0.00 -0.52 0.00 0.00 52.55 52.11 1fy1 s ASP 59 Cb 0.00 -2.34 1.74 0.00 -1.46 0.00 0.00 42.92 40.86 1fy1 s ASP 59 CO 0.00 -0.79 2.07 -0.07 0.52 0.00 0.00 175.17 176.89 1fy1 h LEU 60 N 9.77 0.00 0.00 -1.34 3.38 -0.60 -2.24 115.31 124.28 1fy1 h LEU 60 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1fy1 h LEU 60 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fy1 h LEU 60 CO 0.90 0.00 -0.28 0.54 0.09 0.00 0.00 178.44 179.70 1fy1 n ARG 61 N -3.46 0.23 -3.49 1.13 1.74 -1.26 -4.93 116.66 106.62 1fy1 n ARG 61 Ca 0.01 0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.00 1fy1 n ARG 61 Cb 0.35 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1fy1 n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1fy1 s ARG 62 N -3.11 2.45 0.09 5.56 6.06 -0.85 -5.04 118.95 124.11 1fy1 s ARG 62 Ca 0.09 -1.65 0.17 0.00 -2.50 0.00 0.00 55.73 51.85 1fy1 s ARG 62 Cb 0.14 -2.40 -0.11 0.00 0.06 0.00 0.00 34.95 32.64 1fy1 s ARG 62 CO 0.65 -0.43 0.87 0.00 -2.50 0.00 0.00 175.30 173.89 1fy1 h ARG 63 N 0.77 0.00 -6.70 5.12 -0.00 -1.92 -3.48 114.38 108.17 1fy1 h ARG 63 Ca -0.38 0.00 -0.48 0.00 -0.50 0.00 0.00 59.98 58.62 1fy1 h ARG 63 Cb 1.28 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.11 1fy1 h ARG 63 CO 0.53 0.25 -0.76 0.39 0.00 0.00 0.00 179.97 180.39 1fy1 n GLU 64 N -2.87 -0.85 -0.34 0.04 1.02 -1.26 -4.76 120.64 111.61 1fy1 n GLU 64 Ca -0.08 0.04 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1fy1 n GLU 64 Cb 0.80 -2.57 0.28 0.00 -0.02 0.00 0.00 31.44 29.92 1fy1 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fy1 h ARG 65 N -1.19 0.74 -0.36 3.49 3.08 -1.93 -2.01 114.38 116.21 1fy1 h ARG 65 Ca -0.52 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1fy1 h ARG 65 Cb 1.08 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1fy1 h ARG 65 CO 0.52 0.49 0.00 1.04 -1.07 0.00 0.00 179.97 180.95 1fy1 n GLN 66 N -4.77 1.60 0.00 0.04 3.00 -1.26 -4.14 117.38 111.85 1fy1 n GLN 66 Ca 0.21 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1fy1 n GLN 66 Cb 0.49 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.45 1fy1 n GLN 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1fy1 n SER 67 N 0.11 1.84 -4.80 1.08 3.41 -0.81 -5.09 113.62 109.35 1fy1 n SER 67 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.39 1fy1 n SER 67 Cb 0.25 0.17 0.13 0.00 -0.26 0.00 0.00 64.21 64.50 1fy1 n SER 67 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fy1 s ARG 68 N -1.37 1.30 -0.15 4.33 0.52 -0.86 -4.52 118.95 118.20 1fy1 s ARG 68 Ca 0.00 0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 55.43 1fy1 s ARG 68 Cb 0.00 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.68 1fy1 s ARG 68 CO 0.00 -2.08 0.33 -0.65 0.02 0.00 0.00 175.30 172.92 1fy1 s GLN 69 N -5.31 0.26 -0.09 3.54 -0.21 -0.75 -4.96 119.66 112.14 1fy1 s GLN 69 Ca 0.63 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.80 1fy1 s GLN 69 Cb -0.14 0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.88 1fy1 s GLN 69 CO 0.53 -0.22 -0.09 0.99 -2.12 0.00 0.00 175.29 174.38 1fy1 s THR 70 N 1.96 3.47 0.03 -0.19 2.01 -1.26 -0.93 115.64 120.72 1fy1 s THR 70 Ca -0.04 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 1fy1 s THR 70 Cb -0.11 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 1fy1 s THR 70 CO -0.11 0.56 0.11 -0.36 -0.69 0.00 0.00 174.62 174.14 1fy1 s PHE 71 N -0.37 0.15 0.15 4.92 0.08 -0.28 -4.99 117.98 117.64 1fy1 s PHE 71 Ca 0.05 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1fy1 s PHE 71 Cb -0.12 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1fy1 s PHE 71 CO 0.02 -0.34 0.23 -1.54 -0.10 0.00 0.00 175.22 173.49 1fy1 s SER 72 N -1.87 6.03 -0.36 1.36 1.04 -1.26 -0.12 113.70 118.51 1fy1 s SER 72 Ca -0.08 0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 1fy1 s SER 72 Cb -0.03 -1.74 -0.00 0.00 0.10 0.00 0.00 66.02 64.35 1fy1 s SER 72 CO -0.03 0.06 0.48 -0.63 0.98 0.00 0.00 173.24 174.11 1fy1 s ILE 73 N -1.74 5.04 0.11 -1.02 1.01 -1.26 -1.46 121.20 121.87 1fy1 s ILE 73 Ca 0.33 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 1fy1 s ILE 73 Cb -0.11 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 38.17 1fy1 s ILE 73 CO 0.27 -0.25 1.23 0.28 0.00 0.00 0.00 174.94 176.47 1fy1 h SER 74 N 8.52 0.51 -5.14 3.58 0.02 -0.74 -3.48 113.55 116.82 1fy1 h SER 74 Ca -0.28 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.19 1fy1 h SER 74 Cb 1.12 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 1fy1 h SER 74 CO 0.77 1.30 0.00 -0.94 -1.14 0.00 0.00 176.83 176.82 1fy1 s SER 75 N -7.13 -0.17 -0.04 3.07 1.04 -1.21 -4.99 113.70 104.27 1fy1 s SER 75 Ca -0.05 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 1fy1 s SER 75 Cb 0.08 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1fy1 s SER 75 CO 0.88 -1.17 0.10 -0.04 0.98 0.00 0.00 173.24 173.98 1fy1 s MET 76 N -3.96 0.14 0.02 4.02 1.00 -1.26 -1.66 119.30 117.59 1fy1 s MET 76 Ca 0.16 0.11 0.01 0.00 0.00 0.00 0.00 55.69 55.98 1fy1 s MET 76 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 34.83 34.86 1fy1 s MET 76 CO 0.06 -0.02 -0.05 -1.12 0.00 0.00 0.00 175.02 173.89 1fy1 s SER 77 N -0.02 0.57 0.08 3.03 0.01 -0.61 -4.97 113.70 111.78 1fy1 s SER 77 Ca -0.01 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 1fy1 s SER 77 Cb -0.01 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1fy1 s SER 77 CO 0.00 -0.08 0.18 -1.83 0.41 0.00 0.00 173.24 171.92 1fy1 s GLU 78 N -0.77 0.82 -0.69 12.44 4.04 -1.26 -1.76 118.70 131.51 1fy1 s GLU 78 Ca -0.05 -0.95 0.04 0.00 0.04 0.00 0.00 54.97 54.05 1fy1 s GLU 78 Cb -0.05 0.33 0.17 0.00 0.02 0.00 0.00 34.13 34.60 1fy1 s GLU 78 CO -0.00 -0.25 0.49 1.21 -1.84 0.00 0.00 175.26 174.86 1fy1 s ASN 79 N -2.81 4.90 -0.69 0.83 2.47 -1.26 -4.82 114.94 113.56 1fy1 s ASN 79 Ca 0.04 -3.64 -0.00 0.00 0.42 0.00 0.00 52.86 49.68 1fy1 s ASN 79 Cb 0.05 -1.68 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1fy1 s ASN 79 CO -0.11 -0.14 0.01 0.61 -3.72 0.00 0.00 177.10 173.76 1fy1 n GLY 80 N 2.29 0.04 3.76 1.21 0.00 -1.26 -4.89 105.19 106.34 1fy1 n GLY 80 Ca 0.17 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1fy1 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fy1 s TYR 81 N -2.42 2.76 -0.13 1.61 5.04 -1.26 -4.64 117.35 118.30 1fy1 s TYR 81 Ca 0.01 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 1fy1 s TYR 81 Cb -0.00 -3.99 0.05 0.00 0.35 0.00 0.00 41.96 38.37 1fy1 s TYR 81 CO 0.01 -3.12 0.06 0.34 -1.34 0.00 0.00 175.55 171.49 1fy1 s ASP 82 N 0.18 2.07 0.36 4.32 -1.08 0.36 -4.98 116.67 117.90 1fy1 s ASP 82 Ca 0.58 -0.42 0.13 0.00 -0.52 0.00 0.00 52.55 52.32 1fy1 s ASP 82 Cb -0.46 -0.31 0.69 0.00 -1.46 0.00 0.00 42.92 41.38 1fy1 s ASP 82 CO 0.53 -0.30 1.79 -0.65 0.52 0.00 0.00 175.17 177.06 1fy1 h PRO 83 N 8.38 0.00 -0.26 4.34 0.11 -1.94 1.06 132.00 143.69 1fy1 h PRO 83 Ca -0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 1fy1 h PRO 83 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1fy1 h PRO 83 CO 0.26 0.40 0.01 0.37 -0.21 0.00 0.00 178.00 178.83 1fy1 h GLN 84 N 0.00 0.46 -0.02 1.05 5.75 -1.97 -3.26 115.11 117.11 1fy1 h GLN 84 Ca -0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1fy1 h GLN 84 Cb 0.74 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1fy1 h GLN 84 CO 0.05 0.62 -0.07 0.94 -2.65 0.00 0.00 178.83 177.72 1fy1 n GLN 85 N -4.62 1.52 -3.31 1.69 -0.06 -1.23 -5.00 117.38 106.37 1fy1 n GLN 85 Ca -0.03 -1.43 -0.17 0.00 -2.00 0.00 0.00 57.00 53.37 1fy1 n GLN 85 Cb 0.24 -1.34 0.07 0.00 -4.06 0.00 0.00 30.24 25.15 1fy1 n GLN 85 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1fy1 n ASN 86 N 0.79 -4.19 -4.87 1.69 3.02 0.34 -4.98 115.26 107.05 1fy1 n ASN 86 Ca 0.10 -0.47 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 1fy1 n ASN 86 Cb 0.43 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 1fy1 n ASN 86 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fy1 s LEU 87 N -5.93 4.40 -1.28 3.41 1.43 0.62 -4.38 118.68 116.95 1fy1 s LEU 87 Ca 0.29 0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 53.89 1fy1 s LEU 87 Cb -0.13 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1fy1 s LEU 87 CO 0.60 0.36 1.12 0.59 0.23 0.00 0.00 176.35 179.24 1fy1 n ASN 88 N 1.76 -5.64 -4.56 2.29 3.02 -1.26 -0.49 115.26 110.38 1fy1 n ASN 88 Ca -0.17 -0.53 -0.39 0.00 -0.03 0.00 0.00 54.58 53.46 1fy1 n ASN 88 Cb 0.54 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 1fy1 n ASN 88 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1fy1 s ASP 89 N -3.45 6.33 -0.23 6.41 2.15 -1.26 -4.07 116.67 122.55 1fy1 s ASP 89 Ca 0.49 -1.38 -0.26 0.00 0.43 0.00 0.00 52.55 51.82 1fy1 s ASP 89 Cb -0.21 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.92 1fy1 s ASP 89 CO 0.70 -1.67 0.77 -0.22 -0.17 0.00 0.00 175.17 174.58 1fy1 s LEU 90 N 5.65 -0.68 -0.19 -1.34 2.96 -1.26 -4.24 118.68 119.58 1fy1 s LEU 90 Ca 0.49 1.21 -0.24 0.00 -0.22 0.00 0.00 54.13 55.37 1fy1 s LEU 90 Cb -0.01 2.38 0.06 0.00 0.50 0.00 0.00 46.19 49.12 1fy1 s LEU 90 CO -0.08 -0.30 0.63 -0.32 -1.32 0.00 0.00 176.35 174.96 1fy1 s MET 91 N 0.03 0.80 -0.08 1.98 -2.45 -0.15 -4.19 119.30 115.24 1fy1 s MET 91 Ca -0.02 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.15 1fy1 s MET 91 Cb -0.04 0.39 -0.02 0.00 1.25 0.00 0.00 34.83 36.40 1fy1 s MET 91 CO 0.02 -0.14 -0.13 -0.51 1.05 0.00 0.00 175.02 175.31 1fy1 s LEU 92 N -0.06 2.80 -0.15 4.11 1.43 -0.72 -1.16 118.68 124.93 1fy1 s LEU 92 Ca -0.03 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1fy1 s LEU 92 Cb -0.04 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1fy1 s LEU 92 CO 0.03 0.30 -0.06 -0.76 0.23 0.00 0.00 176.35 176.08 1fy1 s LEU 93 N -0.43 3.10 -0.24 1.79 1.43 0.09 -1.58 118.68 122.84 1fy1 s LEU 93 Ca 0.05 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1fy1 s LEU 93 Cb -0.12 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1fy1 s LEU 93 CO 0.02 0.17 0.19 -1.58 0.23 0.00 0.00 176.35 175.38 1fy1 s GLN 94 N 0.33 4.07 0.39 1.70 0.74 -0.66 -1.53 119.66 124.70 1fy1 s GLN 94 Ca -0.06 -0.22 -0.24 0.00 0.05 0.00 0.00 55.36 54.89 1fy1 s GLN 94 Cb -0.15 -3.55 -0.10 0.00 1.10 0.00 0.00 33.01 30.31 1fy1 s GLN 94 CO 0.04 0.02 0.99 -0.51 -0.55 0.00 0.00 175.29 175.28 1fy1 s LEU 95 N 1.16 4.12 0.64 3.68 1.43 -0.33 -0.05 118.68 129.33 1fy1 s LEU 95 Ca 0.09 1.88 0.40 0.00 -1.03 0.00 0.00 54.13 55.47 1fy1 s LEU 95 Cb -0.14 -4.26 2.20 0.00 0.03 0.00 0.00 46.19 44.02 1fy1 s LEU 95 CO 0.05 -0.35 2.24 -2.24 0.23 0.00 0.00 176.35 176.28 1fy1 h ASP 96 N 2.47 0.00 -5.02 2.29 2.03 -1.60 -3.43 116.42 113.16 1fy1 h ASP 96 Ca -0.48 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 55.93 1fy1 h ASP 96 Cb 1.20 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.60 1fy1 h ASP 96 CO 0.62 0.00 0.41 0.00 -1.03 0.00 0.00 179.24 179.24 1fy1 s ARG 97 N -4.08 1.19 0.16 4.15 1.70 -1.26 -5.05 118.95 115.76 1fy1 s ARG 97 Ca -0.04 -0.58 -0.31 0.00 -0.47 0.00 0.00 55.73 54.32 1fy1 s ARG 97 Cb 0.12 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 1fy1 s ARG 97 CO 0.37 -0.54 1.66 -1.21 -1.08 0.00 0.00 175.30 174.50 1fy1 s GLU 98 N -3.40 4.18 0.21 3.89 2.02 -1.26 -4.81 118.70 119.52 1fy1 s GLU 98 Ca 0.08 2.46 -0.30 0.00 0.02 0.00 0.00 54.97 57.23 1fy1 s GLU 98 Cb -0.02 -3.26 -0.08 0.00 0.10 0.00 0.00 34.13 30.87 1fy1 s GLU 98 CO -0.03 -0.70 1.10 0.00 0.02 0.00 0.00 175.26 175.66 1fy1 s ALA 99 N 1.59 3.38 -0.18 5.21 0.00 0.43 -4.97 121.76 127.23 1fy1 s ALA 99 Ca 0.73 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1fy1 s ALA 99 Cb -0.45 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 1fy1 s ALA 99 CO 0.32 -0.19 1.01 -0.80 0.00 0.00 0.00 175.76 176.10 1fy1 s ASN 100 N -0.34 7.14 -0.65 0.00 0.01 -1.26 -4.91 114.94 114.93 1fy1 s ASN 100 Ca 0.48 1.41 -0.27 0.00 -0.71 0.00 0.00 52.86 53.77 1fy1 s ASN 100 Cb -0.30 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.84 1fy1 s ASN 100 CO 0.37 -0.56 1.33 -0.76 -1.51 0.00 0.00 177.10 175.97 1fy1 s LEU 101 N 2.64 3.30 0.00 0.60 2.01 -1.26 -4.86 118.68 121.10 1fy1 s LEU 101 Ca 0.45 -0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.51 1fy1 s LEU 101 Cb -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 46.19 43.21 1fy1 s LEU 101 CO 0.11 -1.76 0.02 0.35 1.01 0.00 0.00 176.35 176.09 1fy1 n THR 102 N 6.63 0.00 0.48 5.49 -2.24 -0.98 -4.99 114.28 118.67 1fy1 n THR 102 Ca 0.08 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1fy1 n THR 102 Cb 0.49 -0.30 0.44 0.00 -2.10 0.00 0.00 70.33 68.86 1fy1 n THR 102 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fy1 h SER 103 N 0.07 0.00 -0.06 3.42 4.64 -1.98 -2.99 113.55 116.65 1fy1 h SER 103 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1fy1 h SER 103 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1fy1 h SER 103 CO 0.05 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 1fy1 n SER 104 N -2.40 2.55 -3.69 4.97 3.41 -1.26 -4.91 113.62 112.29 1fy1 n SER 104 Ca 0.04 -1.76 -0.18 0.00 -0.26 0.00 0.00 58.87 56.71 1fy1 n SER 104 Cb 0.36 -0.03 -0.17 0.00 -0.26 0.00 0.00 64.21 64.11 1fy1 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fy1 s VAL 105 N -1.44 -0.13 0.29 -3.33 1.01 -1.13 -4.14 120.40 111.53 1fy1 s VAL 105 Ca 0.22 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1fy1 s VAL 105 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1fy1 s VAL 105 CO 0.22 0.15 0.38 0.42 0.00 0.00 0.00 175.10 176.27 1fy1 s THR 106 N 1.97 0.00 -0.08 3.92 -4.23 0.67 -2.33 115.64 115.56 1fy1 s THR 106 Ca 0.01 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 1fy1 s THR 106 Cb -0.12 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1fy1 s THR 106 CO -0.04 0.00 0.29 -0.63 -0.54 0.00 0.00 174.62 173.70 1fy1 s ILE 107 N -3.54 5.25 -0.21 2.99 1.01 -1.26 -3.92 121.20 121.52 1fy1 s ILE 107 Ca 0.32 0.56 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1fy1 s ILE 107 Cb 0.01 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1fy1 s ILE 107 CO 0.17 0.54 0.25 -0.22 0.00 0.00 0.00 174.94 175.69 1fy1 s LEU 108 N -0.67 4.15 0.85 2.97 2.96 0.78 -4.96 118.68 124.76 1fy1 s LEU 108 Ca 0.19 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 1fy1 s LEU 108 Cb -0.14 -2.27 0.10 0.00 0.50 0.00 0.00 46.19 44.38 1fy1 s LEU 108 CO 0.08 0.03 1.10 -2.84 -1.32 0.00 0.00 176.35 173.40 1fy1 s PRO 109 N 1.01 1.68 0.07 0.98 0.01 -1.26 -4.53 135.00 132.96 1fy1 s PRO 109 Ca 0.12 0.62 0.10 0.00 0.01 0.00 0.00 61.00 61.85 1fy1 s PRO 109 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 34.50 32.47 1fy1 s PRO 109 CO 0.05 -1.90 -0.26 -0.51 0.01 0.00 0.00 177.00 174.39 1fy1 s LEU 110 N -5.95 2.21 0.94 -5.54 1.43 -1.26 -1.89 118.68 108.63 1fy1 s LEU 110 Ca 0.62 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1fy1 s LEU 110 Cb -0.15 -1.25 0.15 0.00 0.03 0.00 0.00 46.19 44.97 1fy1 s LEU 110 CO 0.55 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.29 1fy1 s PRO 111 N -1.49 0.90 0.44 1.29 0.04 -1.26 -4.92 135.00 130.00 1fy1 s PRO 111 Ca 0.12 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 1fy1 s PRO 111 Cb -0.10 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1fy1 s PRO 111 CO 0.03 -2.56 0.82 -0.51 0.04 0.00 0.00 177.00 174.83 1fy1 s LEU 112 N -6.48 3.76 0.12 -3.56 1.43 -1.26 -4.89 118.68 107.79 1fy1 s LEU 112 Ca 0.65 1.22 -0.34 0.00 -1.03 0.00 0.00 54.13 54.63 1fy1 s LEU 112 Cb -0.21 -4.13 -0.18 0.00 0.03 0.00 0.00 46.19 41.71 1fy1 s LEU 112 CO 0.59 -0.46 0.96 1.67 0.23 0.00 0.00 176.35 179.34 1fy1 n GLN 113 N -1.45 0.44 -0.82 1.70 -0.06 -1.26 -1.79 117.38 114.14 1fy1 n GLN 113 Ca 0.03 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1fy1 n GLN 113 Cb 0.54 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 1fy1 n GLN 113 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1fy1 n ASN 114 N 1.84 -0.98 -4.66 1.69 4.13 0.51 -4.99 115.26 112.79 1fy1 n ASN 114 Ca 0.18 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.15 1fy1 n ASN 114 Cb 0.19 -1.31 0.18 0.00 -1.54 0.00 0.00 39.78 37.30 1fy1 n ASN 114 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fy1 s ALA 115 N -2.38 0.89 0.16 5.41 0.00 -0.74 -5.00 121.76 120.09 1fy1 s ALA 115 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1fy1 s ALA 115 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1fy1 s ALA 115 CO 0.00 -2.88 0.04 0.95 0.00 0.00 0.00 175.76 173.87 1fy1 s THR 116 N -2.88 0.37 -0.10 0.00 -4.23 -1.26 -4.78 115.64 102.76 1fy1 s THR 116 Ca 0.65 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1fy1 s THR 116 Cb -0.19 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1fy1 s THR 116 CO 0.58 -0.43 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.48 1fy1 s VAL 117 N -3.87 0.84 0.48 2.29 1.01 -1.26 -5.13 120.40 114.77 1fy1 s VAL 117 Ca 0.25 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1fy1 s VAL 117 Cb 0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 1fy1 s VAL 117 CO 0.04 0.33 1.03 -1.83 0.00 0.00 0.00 175.10 174.67 1fy1 s GLU 118 N 1.65 3.82 0.38 2.72 -1.05 -1.26 -4.98 118.70 119.98 1fy1 s GLU 118 Ca 0.03 1.34 -0.27 0.00 -0.15 0.00 0.00 54.97 55.91 1fy1 s GLU 118 Cb -0.13 -2.10 -0.11 0.00 -0.44 0.00 0.00 34.13 31.35 1fy1 s GLU 118 CO -0.06 -0.41 1.33 0.00 0.95 0.00 0.00 175.26 177.07 1fy1 n ALA 119 N -0.97 1.53 0.00 -0.84 0.00 -1.26 -1.71 120.51 117.26 1fy1 n ALA 119 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1fy1 n ALA 119 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1fy1 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fy1 n GLY 120 N 0.71 2.28 3.76 0.00 0.00 0.17 -4.98 105.19 107.13 1fy1 n GLY 120 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1fy1 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fy1 s THR 121 N -2.50 2.50 -0.18 2.61 2.01 -0.69 -4.67 115.64 114.72 1fy1 s THR 121 Ca 0.00 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.23 1fy1 s THR 121 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1fy1 s THR 121 CO 0.00 0.01 0.42 -0.13 -0.69 0.00 0.00 174.62 174.23 1fy1 s ARG 122 N -2.66 4.23 0.36 4.92 0.52 -1.26 -1.23 118.95 123.83 1fy1 s ARG 122 Ca 0.65 0.27 0.06 0.00 -0.52 0.00 0.00 55.73 56.18 1fy1 s ARG 122 Cb -0.37 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 1fy1 s ARG 122 CO 0.45 0.03 0.21 0.00 0.02 0.00 0.00 175.30 176.01 1fy1 s GLN 124 N -3.58 0.34 0.02 0.00 -0.21 -0.64 -0.09 119.66 115.51 1fy1 s GLN 124 Ca 0.33 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 55.12 1fy1 s GLN 124 Cb 0.02 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1fy1 s GLN 124 CO 0.21 -0.03 -0.09 0.54 -2.12 0.00 0.00 175.29 173.81 1fy1 s VAL 125 N -1.38 0.70 0.00 1.09 0.11 -1.14 -1.46 120.40 118.33 1fy1 s VAL 125 Ca -0.14 -0.72 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1fy1 s VAL 125 Cb -0.10 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1fy1 s VAL 125 CO -0.01 -0.04 0.17 0.00 -3.33 0.00 0.00 175.10 171.89 1fy1 s ALA 126 N -0.71 -0.41 0.00 1.54 0.00 -1.26 -2.66 121.76 118.27 1fy1 s ALA 126 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1fy1 s ALA 126 Cb -0.06 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1fy1 s ALA 126 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1fy1 n GLY 127 N 1.42 -0.35 1.90 0.00 0.00 -0.72 -4.73 105.19 102.70 1fy1 n GLY 127 Ca -0.23 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1fy1 n GLY 127 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fy1 n TRP 128 N -0.14 2.27 -2.12 1.61 8.01 -1.26 -1.46 117.44 124.36 1fy1 n TRP 128 Ca 0.00 -1.46 -0.27 0.00 -1.31 0.00 0.00 57.50 54.46 1fy1 n TRP 128 Cb 0.00 -0.75 0.10 0.00 -2.01 0.00 0.00 31.31 28.65 1fy1 n TRP 128 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1fy1 s GLY 129 N -0.72 1.69 0.97 6.99 0.00 -1.26 -2.78 107.32 112.21 1fy1 s GLY 129 Ca 0.43 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 1fy1 s GLY 129 CO 0.08 -0.49 1.14 -1.35 0.00 0.00 0.00 173.10 172.49 1fy1 s SER 130 N -4.63 3.01 0.00 1.64 1.04 0.00 -2.42 113.70 112.34 1fy1 s SER 130 Ca 0.64 0.90 0.23 0.00 0.48 0.00 0.00 55.95 58.20 1fy1 s SER 130 Cb -0.09 -1.41 0.13 0.00 0.10 0.00 0.00 66.02 64.76 1fy1 s SER 130 CO 0.47 -2.85 1.19 0.00 0.98 0.00 0.00 173.24 173.03 1fy1 n GLN 131 N -3.95 1.97 -3.51 4.02 6.02 -1.26 0.45 117.38 121.12 1fy1 n GLN 131 Ca 0.08 -1.65 -0.16 0.00 -0.01 0.00 0.00 57.00 55.26 1fy1 n GLN 131 Cb 0.59 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 30.35 1fy1 n GLN 131 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1fy1 s ARG 132 N -2.06 1.04 -0.16 -1.09 1.70 -1.26 -4.65 118.95 112.46 1fy1 s ARG 132 Ca 0.25 0.10 -0.38 0.00 -0.47 0.00 0.00 55.73 55.22 1fy1 s ARG 132 Cb 0.19 0.49 -0.15 0.00 -0.57 0.00 0.00 34.95 34.90 1fy1 s ARG 132 CO 0.36 -0.36 1.68 0.43 -1.08 0.00 0.00 175.30 176.34 1fy1 n SER 133 N 0.62 2.46 -3.11 -2.89 7.64 -1.26 -2.28 113.62 114.79 1fy1 n SER 133 Ca -0.17 1.07 -0.20 0.00 1.01 0.00 0.00 58.87 60.58 1fy1 n SER 133 Cb 0.59 -1.20 0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1fy1 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fy1 n GLY 134 N 3.88 -0.77 3.63 0.23 0.00 -1.26 -5.03 105.19 105.88 1fy1 n GLY 134 Ca 0.24 1.20 -0.09 0.00 0.00 0.00 0.00 46.02 47.37 1fy1 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fy1 s GLY 135 N -2.21 0.46 0.58 -0.02 0.00 -0.96 -5.12 107.32 100.04 1fy1 s GLY 135 Ca 0.29 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 44.01 1fy1 s GLY 135 CO 0.81 -0.55 1.16 1.09 0.00 0.00 0.00 173.10 175.61 1fy1 s ARG 136 N -3.96 3.12 0.95 2.90 1.70 -1.26 -4.78 118.95 117.62 1fy1 s ARG 136 Ca 0.21 1.69 -0.12 0.00 -0.47 0.00 0.00 55.73 57.04 1fy1 s ARG 136 Cb -0.02 -1.96 0.16 0.00 -0.57 0.00 0.00 34.95 32.56 1fy1 s ARG 136 CO 0.09 -1.06 1.09 -0.51 -1.08 0.00 0.00 175.30 173.83 1fy1 s LEU 137 N -4.03 1.98 -0.06 -1.89 1.43 -1.26 -4.19 118.68 110.66 1fy1 s LEU 137 Ca 0.74 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.14 1fy1 s LEU 137 Cb -0.27 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 1fy1 s LEU 137 CO 0.31 -2.95 0.43 -0.55 0.23 0.00 0.00 176.35 173.82 1fy1 s SER 138 N -3.29 6.72 0.30 2.29 0.15 -1.12 -4.85 113.70 113.91 1fy1 s SER 138 Ca 0.65 0.86 0.15 0.00 0.70 0.00 0.00 55.95 58.30 1fy1 s SER 138 Cb -0.19 -2.26 0.41 0.00 -1.71 0.00 0.00 66.02 62.27 1fy1 s SER 138 CO 0.58 0.17 1.61 0.08 1.20 0.00 0.00 173.24 176.88 1fy1 h ARG 139 N 5.74 0.00 -6.27 5.44 0.11 -1.94 -3.44 114.38 114.03 1fy1 h ARG 139 Ca -0.46 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.05 1fy1 h ARG 139 Cb 1.20 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.18 1fy1 h ARG 139 CO 0.69 0.53 -0.64 -0.06 0.10 0.00 0.00 179.97 180.59 1fy1 s PHE 140 N -3.42 2.81 0.46 4.08 0.08 -1.26 0.19 117.98 120.92 1fy1 s PHE 140 Ca 0.00 -0.17 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 1fy1 s PHE 140 Cb 0.11 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 41.16 1fy1 s PHE 140 CO 0.73 0.56 0.96 -1.25 -0.10 0.00 0.00 175.22 176.11 1fy1 s PRO 141 N -3.33 4.09 0.09 0.24 0.05 -1.26 -4.60 135.00 130.29 1fy1 s PRO 141 Ca 0.30 1.02 0.04 0.00 0.05 0.00 0.00 61.00 62.41 1fy1 s PRO 141 Cb -0.08 -2.17 -0.04 0.00 0.05 0.00 0.00 34.50 32.26 1fy1 s PRO 141 CO 0.20 -0.13 -0.10 1.03 0.05 0.00 0.00 177.00 178.05 1fy1 s ARG 142 N -3.57 0.84 0.02 4.56 0.52 -0.53 -0.14 118.95 120.64 1fy1 s ARG 142 Ca 0.60 -1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 1fy1 s ARG 142 Cb -0.09 -0.53 -0.01 0.00 0.52 0.00 0.00 34.95 34.84 1fy1 s ARG 142 CO 0.21 0.08 0.10 -0.59 0.02 0.00 0.00 175.30 175.13 1fy1 s PHE 143 N -2.39 0.15 0.11 -0.53 -0.71 0.58 -1.76 117.98 113.43 1fy1 s PHE 143 Ca 0.05 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 1fy1 s PHE 143 Cb -0.03 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1fy1 s PHE 143 CO 0.00 -0.32 -0.11 0.54 -1.34 0.00 0.00 175.22 173.99 1fy1 s VAL 144 N -2.07 1.07 -0.21 -2.49 0.11 -1.09 -0.93 120.40 114.79 1fy1 s VAL 144 Ca -0.09 -1.76 -0.15 0.00 -2.93 0.00 0.00 61.98 57.05 1fy1 s VAL 144 Cb -0.04 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1fy1 s VAL 144 CO -0.02 -0.58 0.35 0.20 -3.33 0.00 0.00 175.10 171.72 1fy1 s ASN 145 N -2.63 6.36 0.42 3.54 0.01 -1.26 -2.88 114.94 118.50 1fy1 s ASN 145 Ca 0.09 0.42 0.07 0.00 -0.71 0.00 0.00 52.86 52.74 1fy1 s ASN 145 Cb -0.02 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1fy1 s ASN 145 CO 0.01 -0.05 0.19 0.68 -1.51 0.00 0.00 177.10 176.41 1fy1 s VAL 146 N 1.30 2.29 -0.04 1.60 -7.23 0.88 -4.83 120.40 114.36 1fy1 s VAL 146 Ca 0.17 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1fy1 s VAL 146 Cb -0.15 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.86 1fy1 s VAL 146 CO 0.07 0.00 0.08 0.28 -0.31 0.00 0.00 175.10 175.22 1fy1 s THR 147 N -2.60 -0.08 0.04 5.32 -1.32 -0.96 -1.21 115.64 114.82 1fy1 s THR 147 Ca 0.41 0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.84 1fy1 s THR 147 Cb 0.03 -0.15 -0.07 0.00 -1.51 0.00 0.00 72.50 70.80 1fy1 s THR 147 CO 0.23 0.11 1.56 -0.69 -2.21 0.00 0.00 174.62 173.61 1fy1 s VAL 148 N 1.39 3.32 0.60 5.08 1.01 -0.36 -1.42 120.40 130.02 1fy1 s VAL 148 Ca -0.06 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1fy1 s VAL 148 Cb -0.12 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1fy1 s VAL 148 CO -0.04 -0.01 0.90 0.42 0.00 0.00 0.00 175.10 176.37 1fy1 s THR 149 N 2.65 3.34 0.38 3.92 -4.23 -0.88 0.44 115.64 121.26 1fy1 s THR 149 Ca 0.70 -0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.80 1fy1 s THR 149 Cb -0.36 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.04 1fy1 s THR 149 CO 0.30 -0.33 1.45 -2.84 -0.54 0.00 0.00 174.62 172.65 1fy1 s PRO 150 N -5.00 4.07 0.66 3.99 0.02 -1.26 -4.65 135.00 132.83 1fy1 s PRO 150 Ca 0.55 2.48 0.22 0.00 0.02 0.00 0.00 61.00 64.28 1fy1 s PRO 150 Cb -0.11 -2.92 1.18 0.00 0.02 0.00 0.00 34.50 32.68 1fy1 s PRO 150 CO 0.44 -0.53 1.67 0.93 -0.33 0.00 0.00 177.00 179.17 1fy1 h GLU 151 N 2.93 0.00 0.00 5.54 5.08 -1.98 -3.09 114.58 123.06 1fy1 h GLU 151 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1fy1 h GLU 151 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fy1 h GLU 151 CO 0.64 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 1fy1 n ASP 152 N -2.86 0.00 0.00 1.42 5.75 -1.26 -2.90 116.55 116.70 1fy1 n ASP 152 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1fy1 n ASP 152 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1fy1 n ASP 152 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fy1 n GLN 153 N -0.75 0.73 0.00 0.11 10.64 -1.17 -5.01 117.38 121.93 1fy1 n GLN 153 Ca 0.10 -0.69 0.00 0.00 -1.83 0.00 0.00 57.00 54.58 1fy1 n GLN 153 Cb 0.05 -0.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 1fy1 n GLN 153 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fy1 s ARG 155 N 3.21 0.80 0.29 0.00 0.52 -1.26 -5.07 118.95 117.44 1fy1 s ARG 155 Ca 0.00 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1fy1 s ARG 155 Cb 0.00 0.32 0.42 0.00 0.52 0.00 0.00 34.95 36.21 1fy1 s ARG 155 CO 0.00 -0.24 1.88 -1.35 0.02 0.00 0.00 175.30 175.61 1fy1 h PRO 156 N 2.93 0.94 0.00 3.54 0.11 -2.02 -2.63 132.00 134.86 1fy1 h PRO 156 Ca -0.34 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1fy1 h PRO 156 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1fy1 h PRO 156 CO 0.55 0.74 0.00 -1.71 -0.21 0.00 0.00 178.00 177.37 1fy1 n ASN 157 N -4.33 0.66 -4.79 -2.05 4.05 -1.26 -4.85 115.26 102.68 1fy1 n ASN 157 Ca 0.06 0.61 -0.27 0.00 0.45 0.00 0.00 54.58 55.43 1fy1 n ASN 157 Cb 0.14 -0.77 -0.06 0.00 1.23 0.00 0.00 39.78 40.33 1fy1 n ASN 157 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1fy1 s ASN 158 N -4.23 4.40 -0.12 1.20 0.01 -0.99 -1.14 114.94 114.07 1fy1 s ASN 158 Ca 0.07 -1.28 -0.04 0.00 -0.71 0.00 0.00 52.86 50.91 1fy1 s ASN 158 Cb 0.11 0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.85 1fy1 s ASN 158 CO 0.47 -0.78 0.09 0.54 -1.51 0.00 0.00 177.10 175.91 1fy1 s VAL 159 N -2.72 -0.11 0.29 1.60 0.11 -0.21 -4.63 120.40 114.73 1fy1 s VAL 159 Ca 0.30 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.48 1fy1 s VAL 159 Cb 0.02 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1fy1 s VAL 159 CO 0.17 -0.09 0.44 0.00 -3.33 0.00 0.00 175.10 172.29 1fy1 s THR 161 N -2.12 0.11 0.24 0.00 2.01 -1.06 -2.07 115.64 112.75 1fy1 s THR 161 Ca 0.38 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1fy1 s THR 161 Cb -0.09 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1fy1 s THR 161 CO 0.31 -0.49 0.44 -0.83 -0.69 0.00 0.00 174.62 173.36 1fy1 s GLY 162 N -2.82 0.66 0.00 4.40 0.00 -0.51 -2.37 107.32 106.68 1fy1 s GLY 162 Ca 0.04 -0.99 0.08 0.00 0.00 0.00 0.00 44.72 43.85 1fy1 s GLY 162 CO -0.11 -0.73 -0.25 0.14 0.00 0.00 0.00 173.10 172.15 1fy1 s VAL 163 N -4.02 2.00 0.51 1.40 1.01 -1.26 -2.28 120.40 117.76 1fy1 s VAL 163 Ca 0.25 -1.16 0.22 0.00 0.00 0.00 0.00 61.98 61.28 1fy1 s VAL 163 Cb 0.00 -1.68 0.28 0.00 0.00 0.00 0.00 36.38 34.98 1fy1 s VAL 163 CO 0.10 0.49 2.13 -0.07 0.00 0.00 0.00 175.10 177.75 1fy1 h LEU 164 N 5.29 0.00 -9.03 3.92 3.38 -1.98 -3.40 115.31 113.50 1fy1 h LEU 164 Ca -0.43 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.91 1fy1 h LEU 164 Cb 1.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1fy1 h LEU 164 CO 0.46 0.06 -0.52 -0.89 0.09 0.00 0.00 178.44 177.65 1fy1 s THR 165 N -4.69 5.27 0.34 0.22 2.01 -1.26 -5.02 115.64 112.50 1fy1 s THR 165 Ca -0.04 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 1fy1 s THR 165 Cb 0.15 -3.47 -0.14 0.00 0.01 0.00 0.00 72.50 69.05 1fy1 s THR 165 CO 0.62 0.33 0.55 0.54 -0.69 0.00 0.00 174.62 175.97 1fy1 n ARG 166 N 4.44 0.48 -2.09 4.92 1.74 -1.26 -3.96 116.66 120.92 1fy1 n ARG 166 Ca -0.15 0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1fy1 n ARG 166 Cb 0.52 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1fy1 n ARG 166 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fy1 n ARG 167 N 0.83 -2.80 -3.64 5.56 1.74 -0.32 -4.99 116.66 113.03 1fy1 n ARG 167 Ca 0.13 2.30 -0.03 0.00 -0.77 0.00 0.00 57.85 59.47 1fy1 n ARG 167 Cb 0.35 -3.36 -0.06 0.00 -1.02 0.00 0.00 32.46 28.37 1fy1 n ARG 167 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1fy1 s GLY 168 N -0.39 0.24 0.00 -0.13 0.00 -1.22 -4.02 107.32 101.81 1fy1 s GLY 168 Ca -0.15 3.26 0.00 0.00 0.00 0.00 0.00 44.72 47.84 1fy1 s GLY 168 CO 0.40 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.81 1fy1 n GLY 169 N 1.32 0.96 3.90 0.20 0.00 -0.73 -4.00 105.19 106.85 1fy1 n GLY 169 Ca -0.08 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1fy1 n GLY 169 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fy1 s ILE 170 N -1.92 2.83 0.09 -0.61 -4.36 -1.26 -1.37 121.20 114.60 1fy1 s ILE 170 Ca 0.00 0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 60.48 1fy1 s ILE 170 Cb 0.00 -3.24 0.02 0.00 1.25 0.00 0.00 42.46 40.48 1fy1 s ILE 170 CO 0.00 -0.30 0.21 0.00 0.24 0.00 0.00 174.94 175.09 1fy1 n ASN 172 N -1.06 2.09 0.00 0.00 4.13 -1.26 -1.18 115.26 117.98 1fy1 n ASN 172 Ca -0.02 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1fy1 n ASN 172 Cb 0.15 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.00 1fy1 n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fy1 n GLY 173 N 1.17 2.77 0.06 7.41 0.00 -1.26 -0.82 105.19 114.51 1fy1 n GLY 173 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1fy1 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fy1 n ASP 174 N 0.00 0.42 -4.72 1.61 8.00 -0.32 -3.51 116.55 118.03 1fy1 n ASP 174 Ca 0.00 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 1fy1 n ASP 174 Cb 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 1fy1 n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fy1 n GLY 175 N 1.33 0.96 1.51 0.44 0.00 -1.26 -2.29 105.19 105.89 1fy1 n GLY 175 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1fy1 n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy1 n GLY 176 N 1.42 2.81 3.77 -0.02 0.00 -0.26 -0.75 105.19 112.17 1fy1 n GLY 176 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1fy1 n GLY 176 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fy1 s THR 177 N -2.25 3.55 0.26 2.61 -1.32 -0.97 -3.58 115.64 113.96 1fy1 s THR 177 Ca 0.00 1.34 -0.19 0.00 -1.21 0.00 0.00 61.69 61.63 1fy1 s THR 177 Cb 0.00 -3.77 -0.09 0.00 -1.51 0.00 0.00 72.50 67.13 1fy1 s THR 177 CO 0.00 0.16 0.76 -2.16 -2.21 0.00 0.00 174.62 171.16 1fy1 s PRO 178 N -2.06 4.22 -0.33 7.08 0.04 -1.26 -0.40 135.00 142.28 1fy1 s PRO 178 Ca 0.53 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.27 1fy1 s PRO 178 Cb -0.27 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1fy1 s PRO 178 CO 0.34 0.31 0.46 -1.17 0.04 0.00 0.00 177.00 176.98 1fy1 s LEU 179 N -2.27 4.31 -0.16 -3.56 2.96 -1.07 -4.25 118.68 114.64 1fy1 s LEU 179 Ca 0.47 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1fy1 s LEU 179 Cb -0.15 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1fy1 s LEU 179 CO 0.20 -0.40 -0.03 0.68 -1.32 0.00 0.00 176.35 175.49 1fy1 s VAL 180 N 2.25 3.96 -0.06 1.68 -7.23 -0.53 -2.06 120.40 118.41 1fy1 s VAL 180 Ca 0.17 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1fy1 s VAL 180 Cb -0.16 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.06 1fy1 s VAL 180 CO 0.12 0.48 -0.04 0.00 -0.31 0.00 0.00 175.10 175.36 1fy1 n GLU 182 N 4.41 -1.20 -1.09 0.00 1.02 -1.26 -2.62 120.64 119.89 1fy1 n GLU 182 Ca -0.19 0.75 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 1fy1 n GLU 182 Cb 0.51 -5.08 -0.01 0.00 -0.02 0.00 0.00 31.44 26.83 1fy1 n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fy1 n GLY 183 N -1.02 0.59 3.24 0.62 0.00 -1.26 -5.03 105.19 102.33 1fy1 n GLY 183 Ca -0.18 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1fy1 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fy1 s LEU 184 N -0.71 2.35 -0.88 0.99 1.43 -1.08 -4.56 118.68 116.21 1fy1 s LEU 184 Ca 0.00 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 1fy1 s LEU 184 Cb 0.00 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1fy1 s LEU 184 CO 0.00 -0.07 1.34 0.00 0.23 0.00 0.00 176.35 177.85 1fy1 s ALA 185 N -1.65 2.78 -2.06 4.21 0.00 -0.79 -2.22 121.76 122.03 1fy1 s ALA 185 Ca 0.06 -1.91 0.26 0.00 0.00 0.00 0.00 51.96 50.37 1fy1 s ALA 185 Cb -0.08 -4.36 0.69 0.00 0.00 0.00 0.00 23.12 19.37 1fy1 s ALA 185 CO 0.03 -3.41 1.53 0.72 0.00 0.00 0.00 175.76 174.63 1fy1 n HIS 186 N 8.90 0.00 -3.77 0.00 8.25 -0.88 -4.32 115.22 123.40 1fy1 n HIS 186 Ca 0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1fy1 n HIS 186 Cb 0.50 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1fy1 n HIS 186 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fy1 s GLY 187 N -2.34 -0.04 -0.23 -1.41 0.00 -1.13 -3.63 107.32 98.54 1fy1 s GLY 187 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 1fy1 s GLY 187 CO 0.47 -0.26 0.12 0.14 0.00 0.00 0.00 173.10 173.56 1fy1 s VAL 188 N -3.89 -0.10 -0.09 1.40 1.01 -1.20 -2.61 120.40 114.92 1fy1 s VAL 188 Ca 0.11 -0.44 -0.37 0.00 0.00 0.00 0.00 61.98 61.27 1fy1 s VAL 188 Cb -0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 36.38 35.44 1fy1 s VAL 188 CO -0.01 -0.49 1.68 0.00 0.00 0.00 0.00 175.10 176.29 1fy1 n ALA 189 N 5.27 0.18 -0.06 5.51 0.00 0.46 -1.61 120.51 130.25 1fy1 n ALA 189 Ca -0.06 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1fy1 n ALA 189 Cb 0.46 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1fy1 n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fy1 n SER 190 N 4.92 1.73 -3.75 0.00 2.88 -0.54 -1.11 113.62 117.76 1fy1 n SER 190 Ca 0.22 0.28 -0.03 0.00 -1.33 0.00 0.00 58.87 58.02 1fy1 n SER 190 Cb 0.21 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 63.01 1fy1 n SER 190 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fy1 s PHE 191 N -2.68 -0.13 0.05 0.66 -0.71 -1.11 -4.92 117.98 109.14 1fy1 s PHE 191 Ca -0.23 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1fy1 s PHE 191 Cb 0.04 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.46 1fy1 s PHE 191 CO 0.33 -0.81 -0.08 0.45 -1.34 0.00 0.00 175.22 173.77 1fy1 s SER 192 N -2.94 0.94 0.07 1.98 0.15 -1.26 -0.75 113.70 111.88 1fy1 s SER 192 Ca 0.12 -0.59 -0.18 0.00 0.70 0.00 0.00 55.95 56.01 1fy1 s SER 192 Cb -0.01 0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1fy1 s SER 192 CO 0.02 -0.21 1.29 0.25 1.20 0.00 0.00 173.24 175.79 1fy1 h LEU 193 N 4.37 -0.97 0.00 3.45 5.85 -1.70 -3.48 115.31 122.83 1fy1 h LEU 193 Ca -0.36 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1fy1 h LEU 193 Cb 1.20 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1fy1 h LEU 193 CO 0.42 -0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.91 1fy1 n GLY 194 N -1.21 0.83 3.68 3.75 0.00 -1.26 -5.09 105.19 105.89 1fy1 n GLY 194 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1fy1 n GLY 194 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fy1 s PRO 195 N 0.61 4.31 0.08 1.61 0.02 -1.26 -4.97 135.00 135.40 1fy1 s PRO 195 Ca 0.00 0.90 -0.29 0.00 0.02 0.00 0.00 61.00 61.62 1fy1 s PRO 195 Cb 0.00 -3.54 -0.16 0.00 0.02 0.00 0.00 34.50 30.82 1fy1 s PRO 195 CO 0.00 -0.21 0.69 0.00 -0.33 0.00 0.00 177.00 177.15 1fy1 n GLY 197 N 1.48 0.66 0.11 0.00 0.00 -1.26 -4.83 105.19 101.36 1fy1 n GLY 197 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1fy1 n GLY 197 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fy1 h ARG 198 N 1.77 -0.15 0.00 1.61 2.43 -1.26 -0.83 114.38 117.96 1fy1 h ARG 198 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1fy1 h ARG 198 Cb 0.06 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1fy1 h ARG 198 CO 0.00 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 1fy1 n GLY 199 N 0.77 2.23 2.24 2.80 0.00 -1.26 -4.83 105.19 107.14 1fy1 n GLY 199 Ca -0.08 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1fy1 n GLY 199 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fy1 n PRO 200 N 0.00 -3.48 -3.55 1.61 -0.02 -1.22 -4.53 135.00 123.81 1fy1 n PRO 200 Ca 0.00 2.73 -0.37 0.00 -2.02 0.00 0.00 63.50 63.84 1fy1 n PRO 200 Cb 0.00 -3.92 -0.08 0.00 -0.02 0.00 0.00 33.50 29.48 1fy1 n PRO 200 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fy1 s ASP 201 N -0.48 6.34 -0.20 2.55 1.01 -1.00 -2.33 116.67 122.57 1fy1 s ASP 201 Ca -0.18 0.39 -0.09 0.00 0.71 0.00 0.00 52.55 53.38 1fy1 s ASP 201 Cb 0.01 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1fy1 s ASP 201 CO 0.48 0.06 0.11 -0.36 0.21 0.00 0.00 175.17 175.67 1fy1 s PHE 202 N 0.77 3.36 0.03 4.23 0.40 0.08 -2.55 117.98 124.29 1fy1 s PHE 202 Ca 0.14 0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.79 1fy1 s PHE 202 Cb -0.13 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1fy1 s PHE 202 CO 0.04 0.25 -0.20 -0.06 0.70 0.00 0.00 175.22 175.95 1fy1 s PHE 203 N 0.37 1.78 0.24 0.36 0.08 -0.80 -1.47 117.98 118.53 1fy1 s PHE 203 Ca 0.07 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1fy1 s PHE 203 Cb -0.11 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.16 1fy1 s PHE 203 CO -0.01 0.05 1.17 0.99 -0.10 0.00 0.00 175.22 177.32 1fy1 s THR 204 N -0.70 3.44 -0.53 0.64 2.01 -0.64 -1.05 115.64 118.81 1fy1 s THR 204 Ca 0.07 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.12 1fy1 s THR 204 Cb -0.08 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1fy1 s THR 204 CO 0.01 0.26 1.54 -0.13 -0.69 0.00 0.00 174.62 175.61 1fy1 s ARG 205 N -0.89 3.21 0.26 4.92 0.52 -0.29 -3.26 118.95 123.41 1fy1 s ARG 205 Ca 0.49 0.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.36 1fy1 s ARG 205 Cb -0.33 -4.17 0.32 0.00 0.52 0.00 0.00 34.95 31.29 1fy1 s ARG 205 CO 0.40 -2.03 1.65 0.28 0.02 0.00 0.00 175.30 175.62 1fy1 h VAL 206 N 6.52 1.29 0.00 3.52 2.07 -1.86 -3.06 116.25 124.74 1fy1 h VAL 206 Ca -0.28 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1fy1 h VAL 206 Cb 1.11 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1fy1 h VAL 206 CO 1.16 0.46 0.00 0.00 0.02 0.00 0.00 177.57 179.21 1fy1 n ALA 207 N -2.49 1.05 0.08 1.67 0.00 -1.26 -1.18 120.51 118.37 1fy1 n ALA 207 Ca -0.01 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1fy1 n ALA 207 Cb 0.48 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1fy1 n ALA 207 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fy1 h LEU 208 N 0.00 0.00 -2.21 0.00 3.38 -1.87 1.48 115.31 116.09 1fy1 h LEU 208 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fy1 h LEU 208 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fy1 h LEU 208 CO 0.00 0.53 0.00 0.49 0.09 0.00 0.00 178.44 179.55 1fy1 n PHE 209 N -3.03 0.54 0.00 1.13 3.01 -0.32 -4.74 117.46 114.05 1fy1 n PHE 209 Ca -0.04 -0.27 -0.12 0.00 1.01 0.00 0.00 57.45 58.03 1fy1 n PHE 209 Cb 0.79 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.20 1fy1 n PHE 209 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1fy1 h ARG 210 N 4.13 -0.47 -0.10 -1.08 9.65 -1.68 -0.20 114.38 124.64 1fy1 h ARG 210 Ca 0.00 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1fy1 h ARG 210 Cb 0.92 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1fy1 h ARG 210 CO 0.00 -0.31 -0.06 -0.44 2.80 0.00 0.00 179.97 181.96 1fy1 h ASP 211 N -0.49 0.13 -0.16 -3.80 3.32 -1.91 -0.54 116.42 112.97 1fy1 h ASP 211 Ca 0.08 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1fy1 h ASP 211 Cb 0.62 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1fy1 h ASP 211 CO -0.39 0.22 -0.05 -0.25 -1.72 0.00 0.00 179.24 177.05 1fy1 h TRP 212 N 0.14 0.37 0.06 4.55 7.01 -1.75 -0.85 115.95 125.48 1fy1 h TRP 212 Ca 0.03 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 60.97 1fy1 h TRP 212 Cb 0.21 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 1fy1 h TRP 212 CO 0.00 0.61 -0.21 0.82 -2.79 0.00 0.00 178.44 176.87 1fy1 h ILE 213 N 0.02 0.51 -0.90 2.65 2.04 -0.46 0.27 117.51 121.64 1fy1 h ILE 213 Ca 0.04 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.14 1fy1 h ILE 213 Cb 0.50 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1fy1 h ILE 213 CO 0.02 0.00 0.63 0.44 0.00 0.00 0.00 178.15 179.24 1fy1 h ASP 214 N -0.37 0.16 -0.22 1.72 3.32 -1.05 0.88 116.42 120.85 1fy1 h ASP 214 Ca 0.04 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1fy1 h ASP 214 Cb 0.42 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1fy1 h ASP 214 CO -0.15 0.06 0.07 1.23 -1.72 0.00 0.00 179.24 178.72 1fy1 h GLY 215 N 0.16 0.37 0.99 2.75 0.00 0.99 -2.46 103.07 105.87 1fy1 h GLY 215 Ca 0.45 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1fy1 h GLY 215 CO -0.08 0.21 -0.01 -2.08 0.00 0.00 0.00 176.54 174.57 1fy1 h VAL 216 N 0.19 1.26 -0.62 4.60 2.07 0.12 -3.12 116.25 120.75 1fy1 h VAL 216 Ca 0.07 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1fy1 h VAL 216 Cb 0.23 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1fy1 h VAL 216 CO -0.00 0.37 0.34 -0.07 0.02 0.00 0.00 177.57 178.23 1fy1 h LEU 217 N 0.67 0.75 -0.37 2.57 3.38 -1.16 -2.98 115.31 118.16 1fy1 h LEU 217 Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1fy1 h LEU 217 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1fy1 h LEU 217 CO 0.03 0.60 -0.00 0.78 0.09 0.00 0.00 178.44 179.93 1fy1 h ASN 218 N 0.85 0.00 -2.68 -0.43 2.35 -1.39 -3.37 115.58 110.92 1fy1 h ASN 218 Ca 0.22 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.37 1fy1 h ASN 218 Cb 0.01 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 37.99 1fy1 h ASN 218 CO -0.04 0.00 -0.85 0.20 -1.65 0.00 0.00 177.43 175.09 1fy1 s ASN 219 N -6.08 2.54 0.29 5.81 0.01 -1.13 -5.02 114.94 111.37 1fy1 s ASN 219 Ca 0.06 -3.02 0.21 0.00 -0.71 0.00 0.00 52.86 49.39 1fy1 s ASN 219 Cb 0.06 -0.72 1.07 0.00 0.41 0.00 0.00 41.25 42.07 1fy1 s ASN 219 CO 0.64 -0.19 1.64 -2.65 -1.51 0.00 0.00 177.10 175.03 1fy1 n PRO 220 N 2.95 0.14 -1.30 -0.60 -0.02 -1.24 -4.83 135.00 130.11 1fy1 n PRO 220 Ca 0.23 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 1fy1 n PRO 220 Cb 0.42 -1.91 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 1fy1 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fy1 n GLY 221 N -0.99 -0.67 0.00 -1.23 0.00 -1.26 -4.89 105.19 96.14 1fy1 n GLY 221 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1fy1 n GLY 221 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fy1 n PRO 222 N -1.72 0.00 0.00 1.61 -0.04 -1.26 -4.95 135.00 128.64 1fy1 n PRO 222 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1fy1 n PRO 222 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1fy1 n PRO 222 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fy1 n GLY 223 N -0.86 -1.23 3.84 0.55 0.00 -1.26 -4.94 105.19 101.29 1fy1 n GLY 223 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1fy1 n GLY 223 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fy1 s PRO 224 N -1.33 2.49 0.00 1.61 0.04 -1.26 -5.26 135.00 131.28 1fy1 s PRO 224 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1fy1 s PRO 224 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1fy1 s PRO 224 CO 0.00 -1.32 0.00 0.00 0.04 0.00 0.00 177.00 175.72