#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfq s GLU 3 N 0.00 2.71 0.22 -1.09 2.02 -0.32 -4.94 118.70 117.29 3hfq s GLU 3 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 3hfq s GLU 3 Cb 0.00 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.96 3hfq s GLU 3 CO 0.00 0.01 0.95 0.50 0.02 0.00 0.00 175.26 176.74 3hfq s ARG 4 N 0.77 4.82 0.00 1.61 3.52 -1.26 -0.34 118.95 128.07 3hfq s ARG 4 Ca -0.09 1.50 0.03 0.00 -0.13 0.00 0.00 55.73 57.04 3hfq s ARG 4 Cb -0.16 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3hfq s ARG 4 CO 0.00 0.44 -0.10 0.42 -0.81 0.00 0.00 175.30 175.26 3hfq s ILE 5 N -0.95 0.80 -0.05 4.11 1.01 -0.56 -1.79 121.20 123.77 3hfq s ILE 5 Ca 0.42 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3hfq s ILE 5 Cb -0.26 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3hfq s ILE 5 CO 0.32 0.14 -0.10 -0.76 0.00 0.00 0.00 174.94 174.55 3hfq s LEU 6 N -0.46 2.99 -0.16 2.97 1.43 0.95 -0.44 118.68 125.96 3hfq s LEU 6 Ca 0.03 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hfq s LEU 6 Cb -0.05 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3hfq s LEU 6 CO -0.00 0.35 -0.16 -0.36 0.23 0.00 0.00 176.35 176.41 3hfq s PHE 7 N -0.80 2.78 0.30 0.29 0.08 0.30 -0.32 117.98 120.62 3hfq s PHE 7 Ca 0.12 -1.19 -0.07 0.00 0.12 0.00 0.00 56.93 55.91 3hfq s PHE 7 Cb -0.11 -1.91 -0.06 0.00 -0.57 0.00 0.00 43.02 40.38 3hfq s PHE 7 CO 0.02 -0.57 0.59 0.20 -0.10 0.00 0.00 175.22 175.36 3hfq s GLY 8 N 0.97 1.95 0.33 4.36 0.00 0.18 -2.02 107.32 113.09 3hfq s GLY 8 Ca -0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 3hfq s GLY 8 CO -0.03 -0.31 0.54 -0.51 0.00 0.00 0.00 173.10 172.79 3hfq s THR 9 N -2.09 0.00 0.18 0.90 -4.23 -0.28 -0.97 115.64 109.15 3hfq s THR 9 Ca 0.46 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 3hfq s THR 9 Cb -0.11 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 3hfq s THR 9 CO 0.29 0.00 0.23 -0.31 -0.54 0.00 0.00 174.62 174.28 3hfq s TYR 10 N -3.13 3.32 -0.45 3.99 2.02 -0.93 -1.92 117.35 120.26 3hfq s TYR 10 Ca 0.25 0.03 0.09 0.00 -0.37 0.00 0.00 57.07 57.07 3hfq s TYR 10 Cb -0.01 -1.57 0.38 0.00 -0.40 0.00 0.00 41.96 40.36 3hfq s TYR 10 CO 0.16 0.51 0.93 0.25 -1.57 0.00 0.00 175.55 175.82 3hfq n THR 11 N -0.65 1.68 0.61 -0.71 -2.24 -1.26 -4.52 114.28 107.19 3hfq n THR 11 Ca -0.08 -4.73 0.09 0.00 -2.27 0.00 0.00 64.05 57.06 3hfq n THR 11 Cb 0.55 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 3hfq n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hfq n LYS 12 N -0.12 0.62 0.00 -0.78 5.02 -1.26 -4.82 118.16 116.82 3hfq n LYS 12 Ca 0.27 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3hfq n LYS 12 Cb 0.60 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3hfq n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hfq n LYS 13 N -1.69 0.00 0.00 1.97 5.02 -1.26 -5.03 118.16 117.17 3hfq n LYS 13 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3hfq n LYS 13 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 3hfq n LYS 13 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3hfq n THR 14 N -2.30 0.00 -2.06 -0.18 5.66 -1.26 -5.07 114.28 109.07 3hfq n THR 14 Ca 0.00 -0.13 -0.38 0.00 -3.05 0.00 0.00 64.05 60.48 3hfq n THR 14 Cb 0.00 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 3hfq n THR 14 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hfq s SER 15 N -1.06 6.04 0.00 1.09 0.15 -1.26 -4.94 113.70 113.72 3hfq s SER 15 Ca 0.00 2.57 0.12 0.00 0.70 0.00 0.00 55.95 59.34 3hfq s SER 15 Cb 0.00 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.87 3hfq s SER 15 CO 0.00 -1.03 1.04 0.00 1.20 0.00 0.00 173.24 174.45 3hfq n GLN 16 N -0.31 1.54 0.00 5.44 6.02 -1.26 -4.70 117.38 124.10 3hfq n GLN 16 Ca 0.06 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 3hfq n GLN 16 Cb 0.45 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.45 3hfq n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hfq n GLY 17 N 0.67 0.44 3.69 1.08 0.00 -1.24 -2.22 105.19 107.61 3hfq n GLY 17 Ca 0.09 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 3hfq n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfq s ILE 18 N -1.18 5.17 0.36 -0.61 1.01 -0.28 -4.28 121.20 121.38 3hfq s ILE 18 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.60 3hfq s ILE 18 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3hfq s ILE 18 CO 0.00 0.26 0.32 -0.31 0.00 0.00 0.00 174.94 175.20 3hfq s TYR 19 N 1.16 2.84 0.02 3.97 1.51 -0.85 0.65 117.35 126.64 3hfq s TYR 19 Ca 0.23 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3hfq s TYR 19 Cb -0.15 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 3hfq s TYR 19 CO 0.09 0.09 -0.03 1.14 -1.11 0.00 0.00 175.55 175.73 3hfq s GLN 20 N -4.04 0.26 0.11 -0.62 -2.07 -0.14 -0.54 119.66 112.63 3hfq s GLN 20 Ca 0.43 -0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.57 3hfq s GLN 20 Cb -0.05 -0.03 -0.00 0.00 -1.09 0.00 0.00 33.01 31.84 3hfq s GLN 20 CO 0.27 -0.01 0.12 0.41 -1.32 0.00 0.00 175.29 174.77 3hfq n GLY 21 N 2.14 3.32 2.91 2.60 0.00 0.41 0.01 105.19 116.58 3hfq n GLY 21 Ca -0.19 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 3hfq n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hfq s THR 22 N -2.50 0.29 -0.28 2.61 2.01 -1.03 -1.49 115.64 115.25 3hfq s THR 22 Ca 0.12 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 3hfq s THR 22 Cb 0.00 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.24 3hfq s THR 22 CO 0.09 0.10 0.06 -0.22 -0.69 0.00 0.00 174.62 173.96 3hfq s LEU 23 N 0.18 3.71 -0.46 4.42 2.96 0.54 -1.58 118.68 128.45 3hfq s LEU 23 Ca -0.02 -0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 3hfq s LEU 23 Cb -0.05 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.82 3hfq s LEU 23 CO -0.00 -0.17 0.55 -0.62 -1.32 0.00 0.00 176.35 174.79 3hfq s ASP 24 N 1.49 6.23 0.54 3.68 -1.08 -0.25 -1.18 116.67 126.10 3hfq s ASP 24 Ca 0.03 -0.71 0.30 0.00 -0.52 0.00 0.00 52.55 51.64 3hfq s ASP 24 Cb -0.17 -2.27 1.51 0.00 -1.46 0.00 0.00 42.92 40.53 3hfq s ASP 24 CO 0.02 -0.75 2.08 0.71 0.52 0.00 0.00 175.17 177.75 3hfq h THR 25 N 5.81 0.45 0.02 1.71 1.35 -1.96 -0.01 112.91 120.28 3hfq h THR 25 Ca -0.27 -0.51 -0.30 0.00 -0.55 0.00 0.00 66.41 64.79 3hfq h THR 25 Cb 1.10 1.35 -0.04 0.00 -1.73 0.00 0.00 68.15 68.83 3hfq h THR 25 CO 0.88 0.10 -1.64 0.41 -0.25 0.00 0.00 175.52 175.02 3hfq n THR 26 N -3.51 1.58 0.24 6.82 -1.04 -1.26 -4.28 114.28 112.83 3hfq n THR 26 Ca -0.02 -0.21 0.13 0.00 -2.04 0.00 0.00 64.05 61.91 3hfq n THR 26 Cb 0.24 -1.94 0.50 0.00 -1.82 0.00 0.00 70.33 67.31 3hfq n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfq h ALA 27 N -0.45 0.99 -2.83 2.41 0.00 -1.99 -3.47 119.26 113.92 3hfq h ALA 27 Ca -0.43 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3hfq h ALA 27 Cb 1.51 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.33 3hfq h ALA 27 CO -0.19 0.12 -0.25 1.63 0.00 0.00 0.00 179.25 180.56 3hfq n LYS 28 N -3.20 -2.91 -4.45 0.00 4.76 -0.04 -5.03 118.16 107.28 3hfq n LYS 28 Ca 0.01 0.31 -0.23 0.00 -2.87 0.00 0.00 58.31 55.53 3hfq n LYS 28 Cb 0.40 -3.75 -0.10 0.00 -1.84 0.00 0.00 35.03 29.74 3hfq n LYS 28 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hfq s THR 29 N -3.12 2.10 -0.04 -0.18 -4.23 -1.06 -4.75 115.64 104.36 3hfq s THR 29 Ca 0.20 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3hfq s THR 29 Cb -0.09 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3hfq s THR 29 CO 0.27 -0.38 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.72 3hfq s LEU 30 N -3.48 1.18 0.21 4.79 2.96 -1.26 -1.10 118.68 121.99 3hfq s LEU 30 Ca 0.29 -0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 3hfq s LEU 30 Cb -0.01 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 3hfq s LEU 30 CO 0.13 -0.09 -0.15 0.42 -1.32 0.00 0.00 176.35 175.35 3hfq s THR 31 N 1.09 1.78 -0.38 3.68 -4.23 -0.61 -4.94 115.64 112.02 3hfq s THR 31 Ca -0.09 -2.22 -0.00 0.00 -1.18 0.00 0.00 61.69 58.20 3hfq s THR 31 Cb -0.14 -2.06 0.11 0.00 1.34 0.00 0.00 72.50 71.75 3hfq s THR 31 CO -0.01 -0.59 0.15 0.21 -0.54 0.00 0.00 174.62 173.84 3hfq s ASN 32 N -3.33 5.08 0.32 3.99 3.04 -1.26 -2.46 114.94 120.33 3hfq s ASN 32 Ca 0.23 -2.08 0.26 0.00 0.04 0.00 0.00 52.86 51.31 3hfq s ASN 32 Cb -0.01 -1.76 1.03 0.00 -1.54 0.00 0.00 41.25 38.98 3hfq s ASN 32 CO 0.07 -0.49 1.77 0.44 -3.04 0.00 0.00 177.10 175.86 3hfq h ASP 33 N 7.89 0.00 -4.19 -4.21 3.32 -0.75 -3.48 116.42 115.00 3hfq h ASP 33 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3hfq h ASP 33 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3hfq h ASP 33 CO 0.63 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 3hfq n GLY 34 N 0.17 1.24 3.71 2.75 0.00 -1.10 -4.98 105.19 106.98 3hfq n GLY 34 Ca 0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3hfq n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hfq s LEU 35 N 0.00 4.36 -0.20 0.99 2.96 -1.26 -0.97 118.68 124.56 3hfq s LEU 35 Ca 0.00 2.17 -0.04 0.00 -0.22 0.00 0.00 54.13 56.04 3hfq s LEU 35 Cb 0.00 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.91 3hfq s LEU 35 CO 0.00 -0.59 0.02 -0.11 -1.32 0.00 0.00 176.35 174.35 3hfq n LEU 36 N 4.13 2.71 -3.70 -0.68 7.94 0.21 -4.88 117.00 122.73 3hfq n LEU 36 Ca 0.11 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.93 3hfq n LEU 36 Cb 0.44 -0.99 -0.14 0.00 0.53 0.00 0.00 43.42 43.26 3hfq n LEU 36 CO 0.57 0.84 -0.18 0.00 -1.11 0.00 0.00 177.39 177.52 3hfq s ALA 37 N -2.53 -0.40 -0.28 1.96 0.00 -0.92 -4.15 121.76 115.44 3hfq s ALA 37 Ca -0.30 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3hfq s ALA 37 Cb 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3hfq s ALA 37 CO 0.66 -0.37 1.09 0.00 0.00 0.00 0.00 175.76 177.14 3hfq s ALA 38 N 1.72 3.56 0.20 0.00 0.00 -1.26 -1.13 121.76 124.86 3hfq s ALA 38 Ca -0.04 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 3hfq s ALA 38 Cb -0.11 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.42 3hfq s ALA 38 CO -0.07 -1.34 0.75 -0.08 0.00 0.00 0.00 175.76 175.02 3hfq s THR 39 N 3.53 0.00 -0.17 0.00 -1.32 -0.94 -4.98 115.64 111.76 3hfq s THR 39 Ca 0.46 -0.59 -0.08 0.00 -1.21 0.00 0.00 61.69 60.27 3hfq s THR 39 Cb -0.14 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 3hfq s THR 39 CO 0.13 0.00 0.10 -1.10 -2.21 0.00 0.00 174.62 171.53 3hfq s GLN 40 N -3.67 3.89 -1.36 7.08 -1.52 -1.26 -3.71 119.66 119.11 3hfq s GLN 40 Ca 0.08 -0.26 -0.07 0.00 -1.95 0.00 0.00 55.36 53.16 3hfq s GLN 40 Cb -0.03 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 3hfq s GLN 40 CO -0.00 0.41 0.44 0.09 -0.25 0.00 0.00 175.29 175.98 3hfq n ASN 41 N 3.14 -1.35 -3.69 5.90 4.13 -1.26 -2.13 115.26 119.99 3hfq n ASN 41 Ca -0.17 -1.08 -0.42 0.00 1.68 0.00 0.00 54.58 54.59 3hfq n ASN 41 Cb 0.53 -2.75 -0.00 0.00 -1.54 0.00 0.00 39.78 36.02 3hfq n ASN 41 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3hfq n PRO 42 N -4.46 3.28 0.11 3.52 -0.04 -0.81 -4.28 135.00 132.32 3hfq n PRO 42 Ca -0.26 -2.85 0.11 0.00 -0.04 0.00 0.00 63.50 60.47 3hfq n PRO 42 Cb 0.66 -3.09 0.46 0.00 -0.04 0.00 0.00 33.50 31.49 3hfq n PRO 42 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hfq n THR 43 N 4.21 0.87 -3.78 0.52 -2.24 -1.02 -1.12 114.28 111.73 3hfq n THR 43 Ca 0.53 0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 62.43 3hfq n THR 43 Cb 0.35 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 3hfq n THR 43 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hfq s TYR 44 N -3.27 -0.21 0.09 4.78 5.04 -1.26 -4.32 117.35 118.21 3hfq s TYR 44 Ca 0.04 0.42 0.06 0.00 -2.44 0.00 0.00 57.07 55.15 3hfq s TYR 44 Cb 0.09 0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.45 3hfq s TYR 44 CO 0.36 -0.28 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.63 3hfq s LEU 45 N -0.74 2.32 -0.03 6.97 1.43 -1.26 -2.02 118.68 125.35 3hfq s LEU 45 Ca -0.08 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 3hfq s LEU 45 Cb -0.04 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.63 3hfq s LEU 45 CO 0.02 -0.09 0.11 0.00 0.23 0.00 0.00 176.35 176.62 3hfq s ALA 46 N -1.59 -0.28 0.08 4.21 0.00 -0.28 -4.85 121.76 119.06 3hfq s ALA 46 Ca 0.03 0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.29 3hfq s ALA 46 Cb -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3hfq s ALA 46 CO 0.03 -0.09 -0.26 -0.51 0.00 0.00 0.00 175.76 174.92 3hfq s LEU 47 N -0.27 2.24 0.40 0.00 1.43 -1.26 -0.53 118.68 120.70 3hfq s LEU 47 Ca -0.03 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3hfq s LEU 47 Cb -0.03 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3hfq s LEU 47 CO 0.00 0.22 0.41 -0.94 0.23 0.00 0.00 176.35 176.27 3hfq s SER 48 N -1.62 5.24 0.30 2.29 1.04 -0.36 -4.78 113.70 115.81 3hfq s SER 48 Ca 0.13 -0.63 0.25 0.00 0.48 0.00 0.00 55.95 56.18 3hfq s SER 48 Cb -0.10 -0.66 1.04 0.00 0.10 0.00 0.00 66.02 66.40 3hfq s SER 48 CO 0.04 -0.63 1.75 0.00 0.98 0.00 0.00 173.24 175.38 3hfq h ALA 49 N 0.97 1.00 -0.47 5.32 0.00 -2.00 -2.04 119.26 122.04 3hfq h ALA 49 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hfq h ALA 49 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hfq h ALA 49 CO 0.55 0.00 0.00 0.36 0.00 0.00 0.00 179.25 180.16 3hfq n LYS 50 N -2.37 2.82 -2.77 0.00 -0.00 -1.26 -4.90 118.16 109.67 3hfq n LYS 50 Ca 0.02 -1.99 -0.19 0.00 -0.00 0.00 0.00 58.31 56.15 3hfq n LYS 50 Cb 0.24 -1.66 0.02 0.00 -0.00 0.00 0.00 35.03 33.63 3hfq n LYS 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hfq n ASP 51 N 0.78 -5.37 -4.86 -5.58 8.00 -0.77 -4.83 116.55 103.91 3hfq n ASP 51 Ca 0.18 -0.19 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 3hfq n ASP 51 Cb 0.63 -4.26 -0.06 0.00 -0.02 0.00 0.00 41.12 37.41 3hfq n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hfq s LEU 53 N -1.49 3.01 -0.13 0.00 2.96 0.13 -1.23 118.68 121.93 3hfq s LEU 53 Ca 0.27 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3hfq s LEU 53 Cb -0.15 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3hfq s LEU 53 CO 0.14 0.26 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.91 3hfq s TYR 54 N -0.20 2.56 0.07 5.38 2.02 0.32 -0.14 117.35 127.35 3hfq s TYR 54 Ca 0.02 -1.24 0.04 0.00 -0.37 0.00 0.00 57.07 55.52 3hfq s TYR 54 Cb -0.13 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3hfq s TYR 54 CO 0.03 -0.56 -0.13 -1.54 -1.57 0.00 0.00 175.55 171.78 3hfq s SER 55 N 0.76 1.52 0.47 2.29 1.04 -0.41 -1.12 113.70 118.24 3hfq s SER 55 Ca -0.09 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 3hfq s SER 55 Cb -0.16 -0.03 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 3hfq s SER 55 CO -0.00 -0.12 1.41 0.52 0.98 0.00 0.00 173.24 176.04 3hfq n VAL 56 N 1.23 2.99 -3.83 5.02 0.31 -0.86 -0.75 118.33 122.45 3hfq n VAL 56 Ca -0.21 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.50 3hfq n VAL 56 Cb 0.55 -1.80 -0.13 0.00 -0.91 0.00 0.00 33.84 31.55 3hfq n VAL 56 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hfq s ASP 57 N -0.55 -0.14 -0.14 4.52 2.15 0.52 -3.77 116.67 119.26 3hfq s ASP 57 Ca 0.63 0.26 0.02 0.00 0.43 0.00 0.00 52.55 53.89 3hfq s ASP 57 Cb -0.45 0.27 0.01 0.00 -0.30 0.00 0.00 42.92 42.46 3hfq s ASP 57 CO 0.56 -0.05 -0.19 -0.75 -0.17 0.00 0.00 175.17 174.57 3hfq s LYS 58 N 0.05 2.73 -0.49 4.34 2.20 -0.91 -0.56 119.74 127.10 3hfq s LYS 58 Ca -0.00 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3hfq s LYS 58 Cb -0.01 -2.27 0.14 0.00 -1.51 0.00 0.00 37.83 34.18 3hfq s LYS 58 CO 0.00 -0.07 0.29 -1.21 -0.36 0.00 0.00 175.35 174.01 3hfq s GLU 59 N 0.97 1.54 7.73 4.03 0.41 0.27 -4.42 118.70 129.22 3hfq s GLU 59 Ca -0.05 -2.32 0.00 0.00 -0.41 0.00 0.00 54.97 52.20 3hfq s GLU 59 Cb -0.15 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 3hfq s GLU 59 CO -0.04 -1.19 0.00 -0.40 -0.49 0.00 0.00 175.26 173.14 3hfq n ASP 60 N 3.17 0.00 -0.77 -0.19 5.75 -1.26 -1.36 116.55 121.89 3hfq n ASP 60 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.93 3hfq n ASP 60 Cb 0.35 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.58 3hfq n ASP 60 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hfq n ASP 61 N 7.27 2.13 -4.39 -1.12 5.75 -1.26 -4.82 116.55 120.10 3hfq n ASP 61 Ca 0.00 -2.18 -0.25 0.00 -0.01 0.00 0.00 54.79 52.35 3hfq n ASP 61 Cb 0.00 -0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 39.58 3hfq n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hfq s GLU 62 N -1.64 1.42 0.05 0.11 2.02 -0.46 -1.36 118.70 118.84 3hfq s GLU 62 Ca 0.19 -1.47 -0.09 0.00 0.02 0.00 0.00 54.97 53.62 3hfq s GLU 62 Cb 0.12 -1.65 -0.00 0.00 0.10 0.00 0.00 34.13 32.70 3hfq s GLU 62 CO 0.09 0.35 0.17 0.20 0.02 0.00 0.00 175.26 176.09 3hfq s GLY 63 N -2.64 0.07 0.00 -1.39 0.00 -0.52 -0.57 107.32 102.28 3hfq s GLY 63 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3hfq s GLY 63 CO 0.09 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.21 3hfq n GLY 64 N 0.52 -0.83 3.19 0.20 0.00 0.27 -1.60 105.19 106.94 3hfq n GLY 64 Ca -0.18 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3hfq n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfq s ILE 65 N -3.08 1.51 -0.04 -0.61 -1.09 -0.69 -0.36 121.20 116.83 3hfq s ILE 65 Ca 0.00 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 3hfq s ILE 65 Cb 0.00 -1.26 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 3hfq s ILE 65 CO 0.00 0.43 -0.07 0.00 -1.23 0.00 0.00 174.94 174.07 3hfq s ALA 66 N -0.40 2.99 -0.12 9.38 0.00 0.08 -1.00 121.76 132.69 3hfq s ALA 66 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 3hfq s ALA 66 Cb -0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3hfq s ALA 66 CO -0.00 0.59 -0.08 0.00 0.00 0.00 0.00 175.76 176.26 3hfq s ALA 67 N -0.88 2.84 0.06 0.00 0.00 0.10 -1.29 121.76 122.59 3hfq s ALA 67 Ca 0.14 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3hfq s ALA 67 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3hfq s ALA 67 CO 0.04 0.33 -0.11 -1.58 0.00 0.00 0.00 175.76 174.44 3hfq s TRP 68 N 0.02 0.96 -0.23 0.00 0.52 0.80 -0.28 118.94 120.72 3hfq s TRP 68 Ca -0.02 -0.51 -0.06 0.00 0.02 0.00 0.00 56.10 55.53 3hfq s TRP 68 Cb -0.14 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 3hfq s TRP 68 CO 0.03 -0.01 0.03 -1.14 0.02 0.00 0.00 176.95 175.88 3hfq s GLN 69 N -1.84 3.63 0.03 4.98 2.00 0.77 0.21 119.66 129.44 3hfq s GLN 69 Ca -0.04 -0.50 -0.26 0.00 -2.00 0.00 0.00 55.36 52.56 3hfq s GLN 69 Cb -0.09 -3.20 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 3hfq s GLN 69 CO 0.01 -0.10 0.80 0.42 -0.50 0.00 0.00 175.29 175.92 3hfq s ILE 70 N 1.33 4.77 -0.30 -2.34 -1.09 -0.32 -0.81 121.20 122.44 3hfq s ILE 70 Ca 0.05 1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 60.14 3hfq s ILE 70 Cb -0.15 -4.15 0.10 0.00 -1.58 0.00 0.00 42.46 36.69 3hfq s ILE 70 CO 0.02 0.32 0.13 -0.62 -1.23 0.00 0.00 174.94 173.56 3hfq s ASP 71 N 0.20 3.64 1.19 3.58 2.15 -0.10 -4.90 116.67 122.44 3hfq s ASP 71 Ca 0.41 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.92 3hfq s ASP 71 Cb -0.20 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.91 3hfq s ASP 71 CO 0.24 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3hfq n GLY 72 N 5.03 2.32 1.57 2.66 0.00 -1.26 -1.95 105.19 113.57 3hfq n GLY 72 Ca -0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 3hfq n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hfq n GLN 73 N 13.33 2.51 -4.36 1.61 1.13 -1.26 -4.90 117.38 125.45 3hfq n GLN 73 Ca 0.00 -1.88 -0.18 0.00 -1.94 0.00 0.00 57.00 52.99 3hfq n GLN 73 Cb 0.00 -1.84 -0.10 0.00 0.11 0.00 0.00 30.24 28.41 3hfq n GLN 73 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hfq s THR 74 N -2.05 1.11 -0.02 5.09 -4.23 -0.82 -4.94 115.64 109.79 3hfq s THR 74 Ca 0.34 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3hfq s THR 74 Cb 0.28 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3hfq s THR 74 CO 0.08 -0.27 -0.07 0.00 -0.54 0.00 0.00 174.62 173.82 3hfq s ALA 75 N -3.37 0.69 -0.15 3.99 0.00 -1.26 -0.92 121.76 120.75 3hfq s ALA 75 Ca 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3hfq s ALA 75 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3hfq s ALA 75 CO 0.10 0.12 -0.16 -1.01 0.00 0.00 0.00 175.76 174.82 3hfq s HIS 76 N 0.10 2.77 0.17 0.00 3.76 0.01 -4.93 115.29 117.17 3hfq s HIS 76 Ca -0.01 -1.01 -0.30 0.00 -0.15 0.00 0.00 55.06 53.58 3hfq s HIS 76 Cb -0.06 -1.87 -0.08 0.00 1.11 0.00 0.00 32.58 31.67 3hfq s HIS 76 CO -0.00 -0.45 1.31 0.21 -0.85 0.00 0.00 174.74 174.96 3hfq s LYS 77 N 0.74 4.38 -0.21 1.40 2.20 -1.26 -0.16 119.74 126.83 3hfq s LYS 77 Ca -0.07 2.03 -0.16 0.00 -0.36 0.00 0.00 55.97 57.41 3hfq s LYS 77 Cb -0.16 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 3hfq s LYS 77 CO 0.01 -0.28 -0.33 1.28 -0.36 0.00 0.00 175.35 175.67 3hfq n LEU 78 N 2.94 1.94 -3.95 5.43 4.77 0.61 -4.89 117.00 123.84 3hfq n LEU 78 Ca 0.07 0.35 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 3hfq n LEU 78 Cb 0.43 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 3hfq n LEU 78 CO 0.58 0.02 1.02 0.54 -1.33 0.00 0.00 177.39 178.22 3hfq s ASN 79 N -6.46 0.00 0.04 -1.43 4.22 -1.20 -4.99 114.94 105.12 3hfq s ASN 79 Ca -0.32 -0.32 -0.00 0.00 -2.14 0.00 0.00 52.86 50.08 3hfq s ASN 79 Cb 0.08 0.24 -0.03 0.00 1.28 0.00 0.00 41.25 42.82 3hfq s ASN 79 CO 0.44 -0.47 -0.03 0.42 -2.04 0.00 0.00 177.10 175.41 3hfq s THR 80 N -2.07 0.21 -0.29 0.54 -4.23 -1.26 -0.73 115.64 107.82 3hfq s THR 80 Ca 0.27 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3hfq s THR 80 Cb -0.01 -0.88 0.09 0.00 1.34 0.00 0.00 72.50 73.04 3hfq s THR 80 CO 0.01 -0.72 0.04 -0.69 -0.54 0.00 0.00 174.62 172.72 3hfq s VAL 81 N -2.59 1.38 0.26 2.29 1.01 -0.17 -4.99 120.40 117.59 3hfq s VAL 81 Ca -0.05 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.48 3hfq s VAL 81 Cb -0.02 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3hfq s VAL 81 CO -0.05 -0.46 -0.06 0.68 0.00 0.00 0.00 175.10 175.21 3hfq s VAL 82 N 1.40 1.59 0.03 2.92 -7.23 -1.26 -1.71 120.40 116.14 3hfq s VAL 82 Ca 0.05 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 3hfq s VAL 82 Cb -0.18 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.40 3hfq s VAL 82 CO -0.14 -0.34 0.32 0.00 -0.31 0.00 0.00 175.10 174.62 3hfq s ALA 83 N -3.05 -0.74 0.19 1.32 0.00 -0.63 -4.90 121.76 113.96 3hfq s ALA 83 Ca 0.28 0.10 -0.33 0.00 0.00 0.00 0.00 51.96 52.02 3hfq s ALA 83 Cb 0.03 0.28 -0.15 0.00 0.00 0.00 0.00 23.12 23.28 3hfq s ALA 83 CO 0.11 -0.39 1.33 -0.35 0.00 0.00 0.00 175.76 176.46 3hfq n PRO 84 N 0.70 1.66 0.00 0.00 -0.04 -1.26 -1.44 135.00 134.62 3hfq n PRO 84 Ca -0.19 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3hfq n PRO 84 Cb 0.59 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3hfq n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hfq n GLY 85 N 2.27 0.53 3.81 0.55 0.00 -0.47 -4.81 105.19 107.07 3hfq n GLY 85 Ca 0.14 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 3hfq n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfq s THR 86 N -0.66 3.90 0.68 2.61 -4.23 -1.26 -2.62 115.64 114.06 3hfq s THR 86 Ca 0.00 0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 61.20 3hfq s THR 86 Cb 0.00 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3hfq s THR 86 CO 0.00 -0.63 1.06 -2.84 -0.54 0.00 0.00 174.62 171.67 3hfq s PRO 87 N -4.41 3.02 0.84 3.99 0.02 -1.26 -4.37 135.00 132.83 3hfq s PRO 87 Ca 0.62 0.95 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 3hfq s PRO 87 Cb -0.15 -2.00 0.21 0.00 0.02 0.00 0.00 34.50 32.57 3hfq s PRO 87 CO 0.43 -1.04 0.85 -0.35 -0.33 0.00 0.00 177.00 176.56 3hfq n PRO 88 N -3.05 -2.11 0.00 5.54 -0.04 -1.26 -4.69 135.00 129.40 3hfq n PRO 88 Ca 0.07 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 3hfq n PRO 88 Cb 0.54 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 3hfq n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hfq n ALA 89 N -4.15 1.58 -3.13 0.55 0.00 0.24 -4.87 120.51 110.72 3hfq n ALA 89 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3hfq n ALA 89 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 3hfq n ALA 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hfq s TYR 90 N -0.95 -0.08 -0.14 0.00 5.04 -1.17 -4.69 117.35 115.35 3hfq s TYR 90 Ca 0.00 0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.57 3hfq s TYR 90 Cb 0.00 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.39 3hfq s TYR 90 CO 0.00 -0.38 0.37 0.54 -1.34 0.00 0.00 175.55 174.74 3hfq s VAL 91 N -1.63 -0.00 0.07 3.14 0.11 -1.26 -1.59 120.40 119.24 3hfq s VAL 91 Ca -0.12 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 3hfq s VAL 91 Cb -0.05 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 3hfq s VAL 91 CO 0.02 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 171.90 3hfq s ALA 92 N 0.29 -0.00 -0.08 1.54 0.00 0.19 -4.48 121.76 119.22 3hfq s ALA 92 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3hfq s ALA 92 Cb -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3hfq s ALA 92 CO -0.00 -0.43 -0.12 0.08 0.00 0.00 0.00 175.76 175.29 3hfq s VAL 93 N -3.55 3.26 -0.46 0.00 1.01 -1.26 -0.69 120.40 118.70 3hfq s VAL 93 Ca 0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 3hfq s VAL 93 Cb 0.04 -2.32 0.12 0.00 0.00 0.00 0.00 36.38 34.22 3hfq s VAL 93 CO -0.09 0.57 0.32 -0.62 0.00 0.00 0.00 175.10 175.29 3hfq s ASP 94 N -0.46 5.65 0.07 3.32 -1.08 0.34 -4.99 116.67 119.53 3hfq s ASP 94 Ca 0.06 -1.89 -0.26 0.00 -0.52 0.00 0.00 52.55 49.94 3hfq s ASP 94 Cb -0.12 -1.99 -0.16 0.00 -1.46 0.00 0.00 42.92 39.19 3hfq s ASP 94 CO 0.02 -0.67 1.64 -0.33 0.52 0.00 0.00 175.17 176.35 3hfq h GLU 95 N 8.40 -0.23 -0.47 4.34 4.39 -1.97 0.93 114.58 129.97 3hfq h GLU 95 Ca -0.20 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.55 3hfq h GLU 95 Cb 1.07 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 3hfq h GLU 95 CO 0.83 -0.10 0.23 0.00 -1.16 0.00 0.00 179.01 178.81 3hfq h ALA 96 N 0.51 0.59 0.00 3.43 0.00 -1.97 -2.82 119.26 119.00 3hfq h ALA 96 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hfq h ALA 96 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hfq h ALA 96 CO 0.04 -0.12 -0.45 0.54 0.00 0.00 0.00 179.25 179.26 3hfq n ARG 97 N -4.91 0.04 -3.44 0.00 1.74 -1.23 -4.97 116.66 103.90 3hfq n ARG 97 Ca 0.03 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 3hfq n ARG 97 Cb 0.13 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 3hfq n ARG 97 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hfq n GLN 98 N -1.59 -4.27 -4.26 5.56 1.13 0.28 -4.89 117.38 109.35 3hfq n GLN 98 Ca 0.05 0.78 -0.16 0.00 -1.94 0.00 0.00 57.00 55.74 3hfq n GLN 98 Cb 0.35 -5.58 -0.10 0.00 0.11 0.00 0.00 30.24 25.02 3hfq n GLN 98 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hfq s LEU 99 N -6.08 2.50 -0.07 1.08 1.43 -0.97 -1.03 118.68 115.55 3hfq s LEU 99 Ca 0.21 -0.96 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3hfq s LEU 99 Cb -0.04 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.74 3hfq s LEU 99 CO 0.76 -0.26 -0.19 -0.69 0.23 0.00 0.00 176.35 176.20 3hfq s VAL 100 N -2.97 1.60 0.04 -1.59 1.01 -1.26 -0.50 120.40 116.72 3hfq s VAL 100 Ca 0.15 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3hfq s VAL 100 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3hfq s VAL 100 CO 0.02 0.46 -0.05 -0.31 0.00 0.00 0.00 175.10 175.22 3hfq s TYR 101 N 0.35 2.91 0.02 5.22 2.02 0.13 -4.37 117.35 123.63 3hfq s TYR 101 Ca -0.13 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3hfq s TYR 101 Cb -0.16 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3hfq s TYR 101 CO 0.05 0.41 0.04 -1.54 -1.57 0.00 0.00 175.55 172.95 3hfq s SER 102 N -1.74 0.18 -0.08 2.29 1.04 -0.78 -0.64 113.70 113.98 3hfq s SER 102 Ca 0.20 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.22 3hfq s SER 102 Cb -0.11 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 3hfq s SER 102 CO 0.11 -0.37 -0.22 0.00 0.98 0.00 0.00 173.24 173.74 3hfq s ALA 103 N -1.78 2.28 -0.24 5.32 0.00 -0.62 -1.10 121.76 125.62 3hfq s ALA 103 Ca -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3hfq s ALA 103 Cb -0.07 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.27 3hfq s ALA 103 CO -0.01 0.37 -0.07 1.21 0.00 0.00 0.00 175.76 177.26 3hfq s ASN 104 N -0.00 4.25 0.05 0.00 3.84 0.00 0.83 114.94 123.91 3hfq s ASN 104 Ca -0.07 -0.88 -0.34 0.00 0.21 0.00 0.00 52.86 51.77 3hfq s ASN 104 Cb -0.15 -1.65 -0.19 0.00 -0.55 0.00 0.00 41.25 38.72 3hfq s ASN 104 CO 0.05 -0.12 1.48 0.22 -2.79 0.00 0.00 177.10 175.94 3hfq h TYR 105 N 8.00 -1.13 -0.60 0.43 5.03 -1.77 -1.19 116.97 125.73 3hfq h TYR 105 Ca -0.33 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.89 3hfq h TYR 105 Cb 1.11 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.74 3hfq h TYR 105 CO 0.57 -0.71 0.12 0.45 -1.32 0.00 0.00 178.16 177.28 3hfq h HIS 106 N -1.25 0.99 0.00 -3.82 -0.00 -1.88 -3.10 115.15 106.09 3hfq h HIS 106 Ca -0.12 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.07 3hfq h HIS 106 Cb 0.94 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3hfq h HIS 106 CO 0.02 0.83 -0.41 0.87 -0.00 0.00 0.00 177.93 179.24 3hfq h LYS 107 N 0.90 0.00 -2.33 2.45 1.57 -1.83 -3.48 116.57 113.85 3hfq h LYS 107 Ca 0.19 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3hfq h LYS 107 Cb 0.36 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.70 3hfq h LYS 107 CO 0.00 0.27 -0.21 0.41 -0.57 0.00 0.00 179.45 179.35 3hfq n GLY 108 N 1.19 0.41 3.39 3.86 0.00 -0.47 -4.79 105.19 108.78 3hfq n GLY 108 Ca 0.02 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3hfq n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfq s THR 109 N -2.99 2.00 -0.10 2.61 -4.23 -1.09 -1.38 115.64 110.47 3hfq s THR 109 Ca 0.16 -2.27 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 3hfq s THR 109 Cb -0.07 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.66 3hfq s THR 109 CO 0.20 -0.51 -0.17 0.00 -0.54 0.00 0.00 174.62 173.60 3hfq s ALA 110 N -2.76 1.77 0.18 3.99 0.00 -0.74 -0.82 121.76 123.38 3hfq s ALA 110 Ca 0.25 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.56 3hfq s ALA 110 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3hfq s ALA 110 CO 0.10 0.05 -0.24 -1.21 0.00 0.00 0.00 175.76 174.45 3hfq s GLU 111 N 0.76 1.49 0.36 0.00 2.02 -0.25 -0.19 118.70 122.88 3hfq s GLU 111 Ca -0.11 -1.49 0.03 0.00 0.02 0.00 0.00 54.97 53.43 3hfq s GLU 111 Cb -0.16 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.19 3hfq s GLU 111 CO 0.02 0.40 0.08 0.08 0.02 0.00 0.00 175.26 175.87 3hfq s VAL 112 N -1.56 0.93 0.00 2.63 1.01 0.09 -1.86 120.40 121.64 3hfq s VAL 112 Ca 0.19 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 3hfq s VAL 112 Cb -0.08 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 3hfq s VAL 112 CO 0.09 0.00 0.01 -1.59 0.00 0.00 0.00 175.10 173.61 3hfq s LYS 114 N -3.83 0.10 -0.19 2.72 -2.85 0.40 -0.77 119.74 115.33 3hfq s LYS 114 Ca 0.30 -0.14 -0.19 0.00 -1.00 0.00 0.00 55.97 54.95 3hfq s LYS 114 Cb 0.06 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 3hfq s LYS 114 CO 0.14 -0.02 0.53 0.42 0.10 0.00 0.00 175.35 176.52 3hfq s ILE 115 N -0.38 5.11 0.90 3.79 1.01 -0.19 -2.06 121.20 129.36 3hfq s ILE 115 Ca -0.04 0.98 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 3hfq s ILE 115 Cb -0.03 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.73 3hfq s ILE 115 CO -0.00 0.19 1.22 0.00 0.00 0.00 0.00 174.94 176.35 3hfq s ALA 116 N 1.52 2.28 0.51 9.38 0.00 0.99 -4.89 121.76 131.55 3hfq s ALA 116 Ca 0.25 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.57 3hfq s ALA 116 Cb -0.15 -2.90 1.30 0.00 0.00 0.00 0.00 23.12 21.37 3hfq s ALA 116 CO 0.10 -2.13 2.02 0.00 0.00 0.00 0.00 175.76 175.75 3hfq h ALA 117 N -1.40 2.31 -0.49 0.00 0.00 -1.98 -1.22 119.26 116.48 3hfq h ALA 117 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hfq h ALA 117 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hfq h ALA 117 CO 0.54 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 3hfq n ASP 118 N -4.43 3.35 0.00 0.00 5.75 -1.26 -4.94 116.55 115.02 3hfq n ASP 118 Ca 0.07 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3hfq n ASP 118 Cb 0.46 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3hfq n ASP 118 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfq n GLY 119 N 1.50 2.14 3.72 6.12 0.00 -0.46 -4.97 105.19 113.24 3hfq n GLY 119 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3hfq n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfq s ALA 120 N -2.61 1.96 0.22 4.61 0.00 -1.26 -4.56 121.76 120.12 3hfq s ALA 120 Ca 0.00 0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.75 3hfq s ALA 120 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3hfq s ALA 120 CO 0.00 -2.10 -0.03 -0.51 0.00 0.00 0.00 175.76 173.12 3hfq s LEU 121 N -5.67 3.15 -0.07 0.00 1.43 -1.26 -0.01 118.68 116.26 3hfq s LEU 121 Ca 0.70 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3hfq s LEU 121 Cb -0.25 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.25 3hfq s LEU 121 CO 0.50 0.06 0.14 -0.89 0.23 0.00 0.00 176.35 176.39 3hfq s THR 122 N -1.97 -0.09 0.28 5.49 2.01 -0.88 -4.87 115.64 115.60 3hfq s THR 122 Ca 0.28 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 3hfq s THR 122 Cb -0.08 -0.24 -0.10 0.00 0.01 0.00 0.00 72.50 72.09 3hfq s THR 122 CO 0.18 0.09 1.38 -0.22 -0.69 0.00 0.00 174.62 175.36 3hfq s LEU 123 N 1.40 4.40 0.00 4.42 2.96 -1.26 -0.45 118.68 130.15 3hfq s LEU 123 Ca -0.07 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 3hfq s LEU 123 Cb -0.12 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3hfq s LEU 123 CO -0.06 -0.63 0.00 0.35 -1.32 0.00 0.00 176.35 174.70 3hfq n THR 124 N 1.77 0.00 -3.67 3.68 -2.24 0.05 -4.87 114.28 109.00 3hfq n THR 124 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 3hfq n THR 124 Cb 0.41 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 3hfq n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfq s ASP 125 N -3.20 -0.44 -0.19 3.42 2.15 -1.01 -4.90 116.67 112.50 3hfq s ASP 125 Ca 0.00 0.61 -0.03 0.00 0.43 0.00 0.00 52.55 53.55 3hfq s ASP 125 Cb 0.00 0.64 0.06 0.00 -0.30 0.00 0.00 42.92 43.32 3hfq s ASP 125 CO 0.00 -0.39 0.05 -0.89 -0.17 0.00 0.00 175.17 173.77 3hfq s THR 126 N -0.70 0.41 -0.23 1.71 2.01 -1.26 -0.73 115.64 116.85 3hfq s THR 126 Ca -0.08 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 3hfq s THR 126 Cb -0.03 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3hfq s THR 126 CO 0.05 -0.24 0.39 -0.69 -0.69 0.00 0.00 174.62 173.43 3hfq s VAL 127 N 1.91 5.19 -0.17 3.82 1.01 0.73 -4.95 120.40 127.95 3hfq s VAL 127 Ca -0.00 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 3hfq s VAL 127 Cb -0.17 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3hfq s VAL 127 CO -0.09 0.21 0.24 -1.58 0.00 0.00 0.00 175.10 173.88 3hfq s GLN 128 N 1.63 4.20 0.34 2.72 2.00 -1.26 -1.80 119.66 127.49 3hfq s GLN 128 Ca 0.17 0.00 0.08 0.00 -2.00 0.00 0.00 55.36 53.62 3hfq s GLN 128 Cb -0.15 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.20 3hfq s GLN 128 CO 0.08 0.28 0.11 -1.01 -0.50 0.00 0.00 175.29 174.26 3hfq s HIS 129 N 0.35 2.67 0.17 1.67 3.76 -0.48 -5.03 115.29 118.39 3hfq s HIS 129 Ca 0.14 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 3hfq s HIS 129 Cb -0.12 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 3hfq s HIS 129 CO 0.02 0.36 0.18 -1.54 -0.85 0.00 0.00 174.74 172.91 3hfq s SER 130 N -3.82 0.16 0.00 1.40 1.04 -1.26 -4.74 113.70 106.47 3hfq s SER 130 Ca 0.37 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3hfq s SER 130 Cb -0.02 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3hfq s SER 130 CO 0.22 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3hfq n GLY 131 N -0.19 1.90 3.78 7.32 0.00 -1.26 -4.79 105.19 111.94 3hfq n GLY 131 Ca -0.04 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 3hfq n GLY 131 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hfq n HIS 132 N -1.53 -2.29 -4.28 1.61 1.44 -1.26 -2.32 115.22 106.59 3hfq n HIS 132 Ca 0.00 -1.81 -0.19 0.00 -2.01 0.00 0.00 57.72 53.70 3hfq n HIS 132 Cb 0.00 0.91 -0.08 0.00 0.12 0.00 0.00 29.99 30.93 3hfq n HIS 132 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3hfq s GLY 133 N -3.11 2.32 0.26 -1.39 0.00 -0.14 -4.38 107.32 100.89 3hfq s GLY 133 Ca 0.17 -2.07 0.10 0.00 0.00 0.00 0.00 44.72 42.91 3hfq s GLY 133 CO 0.11 -1.47 1.60 -0.56 0.00 0.00 0.00 173.10 172.78 3hfq h PRO 134 N 2.14 0.03 -7.11 2.90 0.13 -1.89 -3.44 132.00 124.76 3hfq h PRO 134 Ca -0.25 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 3hfq h PRO 134 Cb 1.23 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 3hfq h PRO 134 CO 0.37 0.65 0.37 1.03 -0.23 0.00 0.00 178.00 180.18 3hfq s ARG 135 N -3.60 3.88 0.45 0.86 0.52 -1.26 -4.95 118.95 114.85 3hfq s ARG 135 Ca -0.02 1.20 0.20 0.00 -0.52 0.00 0.00 55.73 56.59 3hfq s ARG 135 Cb 0.12 -2.12 1.17 0.00 0.52 0.00 0.00 34.95 34.65 3hfq s ARG 135 CO 0.77 -0.34 1.91 -1.35 0.02 0.00 0.00 175.30 176.31 3hfq h PRO 136 N 1.39 0.29 0.00 3.54 0.11 -2.03 0.12 132.00 135.42 3hfq h PRO 136 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hfq h PRO 136 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hfq h PRO 136 CO 0.60 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 3hfq n GLU 137 N -4.45 0.14 -1.96 1.05 4.71 -1.26 -3.86 120.64 115.01 3hfq n GLU 137 Ca 0.16 0.23 -0.39 0.00 -0.01 0.00 0.00 57.16 57.15 3hfq n GLU 137 Cb 0.64 -1.70 0.04 0.00 -1.01 0.00 0.00 31.44 29.41 3hfq n GLU 137 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3hfq n GLN 138 N -1.94 2.81 0.26 3.49 6.02 0.43 -4.66 117.38 123.79 3hfq n GLN 138 Ca 0.05 -3.59 0.16 0.00 -0.01 0.00 0.00 57.00 53.60 3hfq n GLN 138 Cb 0.30 -2.27 0.52 0.00 1.02 0.00 0.00 30.24 29.82 3hfq n GLN 138 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3hfq h ASP 139 N 2.98 0.00 -1.36 1.08 -0.00 -1.75 -0.34 116.42 117.03 3hfq h ASP 139 Ca 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.60 3hfq h ASP 139 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3hfq h ASP 139 CO 1.40 0.00 0.12 0.61 -0.00 0.00 0.00 179.24 181.37 3hfq n GLY 140 N 0.37 1.41 3.74 7.15 0.00 -1.26 -4.83 105.19 111.77 3hfq n GLY 140 Ca 0.02 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 3hfq n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfq s SER 141 N -1.65 6.80 -0.33 1.61 0.15 -0.98 -4.20 113.70 115.10 3hfq s SER 141 Ca 0.06 2.50 -0.01 0.00 0.70 0.00 0.00 55.95 59.19 3hfq s SER 141 Cb -0.01 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.81 3hfq s SER 141 CO 0.03 -0.60 0.17 -1.00 1.20 0.00 0.00 173.24 173.04 3hfq s HIS 142 N 0.14 0.80 0.05 3.44 3.76 -1.26 -3.54 115.29 118.67 3hfq s HIS 142 Ca 0.58 -1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 53.75 3hfq s HIS 142 Cb -0.39 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 3hfq s HIS 142 CO 0.39 -0.83 1.03 0.42 -0.85 0.00 0.00 174.74 174.91 3hfq s ILE 143 N 1.44 4.55 0.00 0.60 -1.09 -1.21 -0.41 121.20 125.06 3hfq s ILE 143 Ca 0.14 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 3hfq s ILE 143 Cb -0.20 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 3hfq s ILE 143 CO -0.16 0.19 0.29 1.57 -1.23 0.00 0.00 174.94 175.60 3hfq n HIS 144 N 3.59 0.00 -3.65 3.97 -0.00 -0.42 -2.59 115.22 116.12 3hfq n HIS 144 Ca 0.06 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.14 3hfq n HIS 144 Cb 0.49 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.29 3hfq n HIS 144 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 3hfq s TYR 145 N -0.00 -0.87 -0.33 1.57 6.14 -1.25 -4.64 117.35 117.97 3hfq s TYR 145 Ca 0.00 1.87 0.00 0.00 0.64 0.00 0.00 57.07 59.58 3hfq s TYR 145 Cb 0.00 0.44 0.14 0.00 0.42 0.00 0.00 41.96 42.95 3hfq s TYR 145 CO 0.00 -0.43 0.27 0.95 0.64 0.00 0.00 175.55 176.98 3hfq s THR 146 N 1.10 -0.21 0.14 4.34 -4.23 -1.25 -1.68 115.64 113.84 3hfq s THR 146 Ca -0.06 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.45 3hfq s THR 146 Cb -0.05 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 3hfq s THR 146 CO -0.11 -0.66 0.20 -0.62 -0.54 0.00 0.00 174.62 172.89 3hfq s ASP 147 N 1.78 0.14 0.43 3.99 -1.08 -0.88 -4.49 116.67 116.55 3hfq s ASP 147 Ca 0.13 -0.91 -0.24 0.00 -0.52 0.00 0.00 52.55 51.01 3hfq s ASP 147 Cb -0.17 0.38 -0.08 0.00 -1.46 0.00 0.00 42.92 41.59 3hfq s ASP 147 CO -0.18 -0.81 1.16 -0.76 0.52 0.00 0.00 175.17 175.10 3hfq s LEU 148 N -2.96 4.11 0.56 -1.34 1.43 -1.26 -0.54 118.68 118.67 3hfq s LEU 148 Ca 0.16 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 3hfq s LEU 148 Cb 0.05 -4.13 0.04 0.00 0.03 0.00 0.00 46.19 42.18 3hfq s LEU 148 CO -0.02 -0.77 0.79 0.42 0.23 0.00 0.00 176.35 176.99 3hfq s THR 149 N -1.49 2.62 0.44 5.49 -4.23 0.15 -4.82 115.64 113.80 3hfq s THR 149 Ca 0.60 -0.68 0.17 0.00 -1.18 0.00 0.00 61.69 60.60 3hfq s THR 149 Cb -0.29 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 70.98 3hfq s THR 149 CO 0.36 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.71 3hfq h PRO 150 N 0.04 0.35 -0.69 3.99 0.11 -1.89 -0.07 132.00 133.84 3hfq h PRO 150 Ca -0.41 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 3hfq h PRO 150 Cb 1.29 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 3hfq h PRO 150 CO 0.50 0.23 0.18 -0.40 -0.21 0.00 0.00 178.00 178.30 3hfq n ASP 151 N -4.46 5.18 -1.87 -2.05 5.75 -1.26 -4.94 116.55 112.90 3hfq n ASP 151 Ca 0.14 -3.13 -0.16 0.00 -0.01 0.00 0.00 54.79 51.63 3hfq n ASP 151 Cb 0.57 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 3hfq n ASP 151 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hfq n ASN 152 N 0.12 -4.88 -4.73 -1.12 3.02 -0.04 -5.03 115.26 102.59 3hfq n ASN 152 Ca 0.37 -0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.68 3hfq n ASN 152 Cb 1.33 -3.99 0.10 0.00 -0.61 0.00 0.00 39.78 36.62 3hfq n ASN 152 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hfq s ARG 153 N -4.80 1.77 -0.19 3.52 0.52 -1.26 -4.67 118.95 113.84 3hfq s ARG 153 Ca 0.00 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 53.99 3hfq s ARG 153 Cb 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.09 3hfq s ARG 153 CO 0.00 -1.35 -0.14 -1.17 0.02 0.00 0.00 175.30 172.66 3hfq s LEU 154 N -5.06 2.47 -0.15 2.53 2.96 0.18 -0.67 118.68 120.94 3hfq s LEU 154 Ca 0.66 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.84 3hfq s LEU 154 Cb -0.05 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3hfq s LEU 154 CO 0.43 0.02 0.61 0.00 -1.32 0.00 0.00 176.35 176.09 3hfq s ALA 155 N 1.21 3.48 -0.14 5.97 0.00 0.30 0.05 121.76 132.62 3hfq s ALA 155 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3hfq s ALA 155 Cb -0.14 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3hfq s ALA 155 CO -0.06 -0.32 -0.14 0.08 0.00 0.00 0.00 175.76 175.32 3hfq s VAL 156 N 1.35 1.53 -0.20 0.00 1.01 0.92 -2.07 120.40 122.93 3hfq s VAL 156 Ca 0.30 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3hfq s VAL 156 Cb -0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3hfq s VAL 156 CO 0.12 0.45 0.09 -0.63 0.00 0.00 0.00 175.10 175.14 3hfq s ILE 157 N 1.46 4.93 -0.42 2.22 1.01 -0.68 0.23 121.20 129.96 3hfq s ILE 157 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3hfq s ILE 157 Cb -0.13 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.18 3hfq s ILE 157 CO -0.10 0.42 0.25 -0.62 0.00 0.00 0.00 174.94 174.89 3hfq s ASP 158 N 0.67 5.50 0.29 3.58 -1.08 0.33 -1.29 116.67 124.67 3hfq s ASP 158 Ca 0.05 -1.71 0.03 0.00 -0.52 0.00 0.00 52.55 50.40 3hfq s ASP 158 Cb -0.13 -1.93 0.44 0.00 -1.46 0.00 0.00 42.92 39.83 3hfq s ASP 158 CO 0.01 -0.55 1.74 0.25 0.52 0.00 0.00 175.17 177.14 3hfq h LEU 159 N 8.30 0.48 -0.90 -1.34 6.46 -0.71 -2.15 115.31 125.45 3hfq h LEU 159 Ca -0.20 -0.15 -0.11 0.00 -0.12 0.00 0.00 57.88 57.30 3hfq h LEU 159 Cb 1.07 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3hfq h LEU 159 CO 0.75 0.71 -0.34 1.23 -0.62 0.00 0.00 178.44 180.17 3hfq h GLY 160 N 0.99 0.43 -1.26 3.75 0.00 -1.73 -3.27 103.07 101.98 3hfq h GLY 160 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hfq h GLY 160 CO 0.04 0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.79 3hfq n SER 161 N -4.07 2.65 -3.55 0.19 3.41 -1.20 -1.66 113.62 109.39 3hfq n SER 161 Ca -0.01 -1.82 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 3hfq n SER 161 Cb 0.45 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3hfq n SER 161 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hfq n ASP 162 N 0.66 -4.26 -4.10 4.04 8.00 -0.84 -4.81 116.55 115.23 3hfq n ASP 162 Ca 0.11 -0.60 -0.16 0.00 0.71 0.00 0.00 54.79 54.85 3hfq n ASP 162 Cb 0.39 -4.99 -0.12 0.00 -0.02 0.00 0.00 41.12 36.39 3hfq n ASP 162 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hfq s LYS 163 N -5.91 0.67 -0.25 -1.24 1.02 -1.02 -4.47 119.74 108.55 3hfq s LYS 163 Ca 0.32 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.54 3hfq s LYS 163 Cb -0.14 -0.57 0.06 0.00 -0.52 0.00 0.00 37.83 36.65 3hfq s LYS 163 CO 0.74 0.12 -0.10 0.08 -0.92 0.00 0.00 175.35 175.27 3hfq s VAL 164 N -1.19 2.00 0.22 3.17 1.01 0.22 -0.51 120.40 125.32 3hfq s VAL 164 Ca -0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 3hfq s VAL 164 Cb -0.09 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 3hfq s VAL 164 CO 0.01 -0.00 0.47 -0.31 0.00 0.00 0.00 175.10 175.27 3hfq s TYR 165 N 1.19 3.47 -0.11 5.22 1.51 0.14 -0.60 117.35 128.16 3hfq s TYR 165 Ca -0.07 0.62 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 3hfq s TYR 165 Cb -0.19 -2.07 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3hfq s TYR 165 CO -0.06 0.30 -0.13 0.08 -1.11 0.00 0.00 175.55 174.63 3hfq s VAL 166 N -1.87 1.34 0.07 0.71 1.01 -0.37 -0.05 120.40 121.24 3hfq s VAL 166 Ca 0.43 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3hfq s VAL 166 Cb -0.11 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3hfq s VAL 166 CO 0.26 0.41 -0.25 -0.31 0.00 0.00 0.00 175.10 175.21 3hfq s TYR 167 N 1.12 2.35 0.21 5.22 2.02 0.11 -0.60 117.35 127.78 3hfq s TYR 167 Ca -0.05 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.13 3hfq s TYR 167 Cb -0.14 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3hfq s TYR 167 CO -0.03 0.21 0.61 -0.80 -1.57 0.00 0.00 175.55 173.97 3hfq s ASN 168 N -1.51 6.81 -0.08 2.29 0.01 0.67 0.48 114.94 123.60 3hfq s ASN 168 Ca 0.13 1.13 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 3hfq s ASN 168 Cb -0.10 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3hfq s ASN 168 CO 0.04 -0.00 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.75 3hfq s VAL 169 N -1.65 2.60 0.44 1.60 1.01 -1.26 -1.65 120.40 121.49 3hfq s VAL 169 Ca 0.44 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3hfq s VAL 169 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3hfq s VAL 169 CO 0.20 0.56 0.69 -0.94 0.00 0.00 0.00 175.10 175.61 3hfq s SER 170 N -0.13 6.03 0.34 3.32 1.04 -0.56 -4.96 113.70 118.78 3hfq s SER 170 Ca -0.03 0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.95 3hfq s SER 170 Cb -0.14 -1.85 0.61 0.00 0.10 0.00 0.00 66.02 64.74 3hfq s SER 170 CO 0.04 -0.60 1.92 0.44 0.98 0.00 0.00 173.24 176.02 3hfq h ASP 171 N 0.39 0.60 0.72 7.02 3.32 -1.97 -2.05 116.42 124.45 3hfq h ASP 171 Ca -0.47 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3hfq h ASP 171 Cb 1.23 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3hfq h ASP 171 CO 0.60 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.68 3hfq n ALA 172 N -2.47 1.66 -0.06 3.45 0.00 -1.26 -4.90 120.51 116.94 3hfq n ALA 172 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hfq n ALA 172 Cb 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3hfq n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfq n GLY 173 N -0.00 1.13 3.37 0.00 0.00 -0.77 -4.94 105.19 103.98 3hfq n GLY 173 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3hfq n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hfq s GLN 174 N -0.25 1.37 0.11 1.61 1.11 -1.26 -3.94 119.66 118.41 3hfq s GLN 174 Ca 0.00 -1.45 0.05 0.00 0.01 0.00 0.00 55.36 53.97 3hfq s GLN 174 Cb 0.00 -1.54 -0.04 0.00 -1.01 0.00 0.00 33.01 30.42 3hfq s GLN 174 CO 0.00 0.32 0.02 -0.51 0.01 0.00 0.00 175.29 175.13 3hfq s LEU 175 N -2.66 3.51 -0.10 2.90 1.43 -1.26 -1.50 118.68 121.00 3hfq s LEU 175 Ca 0.18 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3hfq s LEU 175 Cb -0.07 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 43.99 3hfq s LEU 175 CO 0.08 0.15 0.22 -0.55 0.23 0.00 0.00 176.35 176.49 3hfq s SER 176 N -2.49 0.03 0.40 2.29 0.15 -0.66 -4.95 113.70 108.47 3hfq s SER 176 Ca 0.27 0.49 -0.27 0.00 0.70 0.00 0.00 55.95 57.14 3hfq s SER 176 Cb -0.11 0.43 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 3hfq s SER 176 CO 0.19 -0.19 1.40 -1.84 1.20 0.00 0.00 173.24 174.01 3hfq n GLU 177 N 4.63 2.34 -0.01 5.44 0.00 -1.26 -0.24 120.64 131.55 3hfq n GLU 177 Ca -0.18 0.83 -0.01 0.00 0.00 0.00 0.00 57.16 57.79 3hfq n GLU 177 Cb 0.52 -2.56 -0.01 0.00 0.00 0.00 0.00 31.44 29.39 3hfq n GLU 177 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3hfq n GLN 178 N 0.21 0.04 -3.66 3.44 -0.06 0.23 -4.78 117.38 112.80 3hfq n GLN 178 Ca 0.04 0.01 -0.08 0.00 -2.00 0.00 0.00 57.00 54.96 3hfq n GLN 178 Cb 0.39 -0.90 -0.02 0.00 -4.06 0.00 0.00 30.24 25.65 3hfq n GLN 178 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hfq s SER 179 N -4.43 -0.37 -0.13 1.69 1.04 -1.02 -4.97 113.70 105.51 3hfq s SER 179 Ca -0.02 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.05 3hfq s SER 179 Cb 0.01 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.81 3hfq s SER 179 CO 0.03 -1.09 0.26 0.54 0.98 0.00 0.00 173.24 173.96 3hfq s VAL 180 N -3.71 -0.36 -0.21 5.02 0.11 -1.26 -1.23 120.40 118.76 3hfq s VAL 180 Ca 0.07 0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 3hfq s VAL 180 Cb -0.03 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 3hfq s VAL 180 CO -0.02 0.11 0.20 -0.22 -3.33 0.00 0.00 175.10 171.84 3hfq s LEU 181 N 2.26 4.17 0.55 2.54 2.96 0.23 -4.93 118.68 126.45 3hfq s LEU 181 Ca -0.00 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 3hfq s LEU 181 Cb -0.12 -2.19 0.06 0.00 0.50 0.00 0.00 46.19 44.44 3hfq s LEU 181 CO -0.08 0.09 0.61 -0.89 -1.32 0.00 0.00 176.35 174.75 3hfq s THR 182 N 0.78 2.03 0.08 3.68 2.01 -1.26 -0.61 115.64 122.35 3hfq s THR 182 Ca 0.10 -1.21 -0.20 0.00 0.31 0.00 0.00 61.69 60.69 3hfq s THR 182 Cb -0.13 -2.24 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 3hfq s THR 182 CO 0.03 0.00 0.60 -1.61 -0.69 0.00 0.00 174.62 172.95 3hfq s GLU 184 N -4.47 4.27 0.05 4.92 0.41 -1.26 -5.02 118.70 117.59 3hfq s GLU 184 Ca 0.50 0.80 -0.36 0.00 -0.41 0.00 0.00 54.97 55.51 3hfq s GLU 184 Cb -0.04 -3.25 -0.15 0.00 -1.78 0.00 0.00 34.13 28.91 3hfq s GLU 184 CO 0.31 0.61 1.56 0.00 -0.49 0.00 0.00 175.26 177.25 3hfq n ALA 185 N 1.79 0.29 -0.36 5.21 0.00 -1.26 -1.71 120.51 124.46 3hfq n ALA 185 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hfq n ALA 185 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3hfq n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfq n GLY 186 N 3.33 0.68 0.30 0.00 0.00 -1.26 -4.94 105.19 103.30 3hfq n GLY 186 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 3hfq n GLY 186 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hfq h PHE 187 N 0.00 0.99 -5.10 1.61 3.04 -1.71 -3.35 116.94 112.42 3hfq h PHE 187 Ca 0.00 -0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.71 3hfq h PHE 187 Cb 0.00 -0.32 0.17 0.00 2.56 0.00 0.00 35.95 38.36 3hfq h PHE 187 CO 0.00 0.69 -0.73 0.41 -2.02 0.00 0.00 178.31 176.66 3hfq n GLY 188 N -1.10 -0.82 3.78 2.40 0.00 -1.26 -2.94 105.19 105.24 3hfq n GLY 188 Ca 0.06 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 3hfq n GLY 188 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hfq s PRO 189 N -4.26 4.08 0.07 1.61 0.04 -1.26 -0.42 135.00 134.85 3hfq s PRO 189 Ca 0.37 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.94 3hfq s PRO 189 Cb -0.05 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3hfq s PRO 189 CO 0.63 -0.54 0.00 -2.13 0.04 0.00 0.00 177.00 175.00 3hfq n ARG 190 N 0.41 0.00 -4.29 4.56 0.63 0.09 -3.24 116.66 114.82 3hfq n ARG 190 Ca 0.01 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.78 3hfq n ARG 190 Cb 0.40 -0.18 -0.10 0.00 0.45 0.00 0.00 32.46 33.02 3hfq n ARG 190 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3hfq s HIS 191 N -1.47 1.44 0.19 -0.14 3.76 -1.25 -4.05 115.29 113.77 3hfq s HIS 191 Ca 0.00 -0.78 -0.06 0.00 -0.15 0.00 0.00 55.06 54.07 3hfq s HIS 191 Cb 0.00 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 3hfq s HIS 191 CO 0.00 0.09 0.25 -0.48 -0.85 0.00 0.00 174.74 173.75 3hfq s LEU 192 N -3.24 0.97 -0.14 0.89 0.05 -1.26 -0.25 118.68 115.71 3hfq s LEU 192 Ca 0.22 -1.11 -0.11 0.00 0.05 0.00 0.00 54.13 53.18 3hfq s LEU 192 Cb 0.03 0.94 0.04 0.00 -2.05 0.00 0.00 46.19 45.15 3hfq s LEU 192 CO 0.04 -0.92 0.36 0.54 -0.55 0.00 0.00 176.35 175.83 3hfq s VAL 193 N -4.06 -0.01 0.25 1.48 0.11 -0.74 -4.96 120.40 112.48 3hfq s VAL 193 Ca 0.27 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 3hfq s VAL 193 Cb 0.04 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.33 3hfq s VAL 193 CO 0.07 0.01 0.51 -0.36 -3.33 0.00 0.00 175.10 172.00 3hfq s PHE 194 N 0.45 3.47 0.68 1.54 0.40 -1.26 -0.88 117.98 122.37 3hfq s PHE 194 Ca -0.02 0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 56.84 3hfq s PHE 194 Cb -0.04 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3hfq s PHE 194 CO -0.02 0.25 1.06 -1.54 0.70 0.00 0.00 175.22 175.66 3hfq s SER 195 N -2.91 5.44 0.38 1.36 1.04 0.60 -4.92 113.70 114.69 3hfq s SER 195 Ca 0.44 1.66 0.11 0.00 0.48 0.00 0.00 55.95 58.63 3hfq s SER 195 Cb -0.11 -2.50 0.88 0.00 0.10 0.00 0.00 66.02 64.39 3hfq s SER 195 CO 0.27 -1.40 1.89 -0.65 0.98 0.00 0.00 173.24 174.33 3hfq h PRO 196 N -0.51 0.59 -0.04 4.02 0.11 -1.90 -0.03 132.00 134.24 3hfq h PRO 196 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfq h PRO 196 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hfq h PRO 196 CO 0.57 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3hfq n ASP 197 N -4.53 1.06 0.00 -2.05 5.68 -1.26 -4.92 116.55 110.53 3hfq n ASP 197 Ca 0.16 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 3hfq n ASP 197 Cb 0.46 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3hfq n ASP 197 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hfq n GLY 198 N 1.10 0.31 0.11 6.12 0.00 -0.03 -4.88 105.19 107.92 3hfq n GLY 198 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3hfq n GLY 198 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hfq h GLN 199 N 0.73 0.00 -5.57 1.61 1.08 -1.83 -3.44 115.11 107.70 3hfq h GLN 199 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 3hfq h GLN 199 Cb 0.38 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 27.63 3hfq h GLN 199 CO 0.00 0.44 -0.77 0.71 -0.95 0.00 0.00 178.83 178.27 3hfq s TYR 200 N -2.92 1.52 0.03 2.96 2.02 -1.26 -0.19 117.35 119.50 3hfq s TYR 200 Ca 0.01 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 3hfq s TYR 200 Cb 0.08 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 3hfq s TYR 200 CO 0.78 0.20 -0.07 0.00 -1.57 0.00 0.00 175.55 174.89 3hfq s ALA 201 N -2.13 0.50 -0.18 3.71 0.00 -0.12 -0.29 121.76 123.25 3hfq s ALA 201 Ca 0.11 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3hfq s ALA 201 Cb -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3hfq s ALA 201 CO 0.04 0.02 -0.19 -0.06 0.00 0.00 0.00 175.76 175.56 3hfq s PHE 202 N -0.95 2.78 -0.20 0.00 0.08 -0.06 -0.34 117.98 119.29 3hfq s PHE 202 Ca -0.06 -1.61 -0.06 0.00 0.12 0.00 0.00 56.93 55.31 3hfq s PHE 202 Cb -0.07 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3hfq s PHE 202 CO 0.00 -0.79 0.04 -1.17 -0.10 0.00 0.00 175.22 173.20 3hfq s LEU 203 N 1.28 3.51 -0.09 -0.37 2.96 -0.16 -1.78 118.68 124.03 3hfq s LEU 203 Ca 0.05 -0.09 -0.22 0.00 -0.22 0.00 0.00 54.13 53.64 3hfq s LEU 203 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3hfq s LEU 203 CO -0.12 0.09 0.66 0.00 -1.32 0.00 0.00 176.35 175.66 3hfq s ALA 204 N 0.89 3.38 -0.49 5.97 0.00 0.66 -0.88 121.76 131.29 3hfq s ALA 204 Ca 0.03 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 3hfq s ALA 204 Cb -0.14 -2.91 0.11 0.00 0.00 0.00 0.00 23.12 20.17 3hfq s ALA 204 CO 0.02 -0.13 0.40 0.20 0.00 0.00 0.00 175.76 176.26 3hfq s GLY 205 N 0.80 2.05 0.08 0.00 0.00 0.12 -0.73 107.32 109.64 3hfq s GLY 205 Ca 0.35 -2.38 -0.33 0.00 0.00 0.00 0.00 44.72 42.36 3hfq s GLY 205 CO 0.16 1.11 1.61 -2.09 0.00 0.00 0.00 173.10 173.89 3hfq h GLU 206 N 8.69 -0.87 0.00 2.90 4.81 -0.86 -1.29 114.58 127.96 3hfq h GLU 206 Ca -0.27 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 3hfq h GLU 206 Cb 1.09 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3hfq h GLU 206 CO 0.92 -0.58 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.29 3hfq h LEU 207 N -0.90 0.00 -1.68 1.64 3.38 -1.61 -2.42 115.31 113.72 3hfq h LEU 207 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hfq h LEU 207 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hfq h LEU 207 CO 0.04 0.26 -0.03 -1.54 0.09 0.00 0.00 178.44 177.26 3hfq n SER 208 N -3.95 2.54 -3.70 -0.43 3.41 -1.15 -4.97 113.62 105.36 3hfq n SER 208 Ca -0.02 -1.77 -0.26 0.00 -0.26 0.00 0.00 58.87 56.56 3hfq n SER 208 Cb 0.33 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3hfq n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hfq n SER 209 N 0.99 -3.37 -4.17 4.04 7.64 -0.51 -4.89 113.62 113.35 3hfq n SER 209 Ca 0.11 -0.94 -0.11 0.00 1.01 0.00 0.00 58.87 58.94 3hfq n SER 209 Cb 0.47 -3.64 -0.10 0.00 -1.01 0.00 0.00 64.21 59.93 3hfq n SER 209 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hfq s GLN 210 N -5.96 0.97 -0.06 1.43 -0.21 -1.06 -1.30 119.66 113.48 3hfq s GLN 210 Ca 0.26 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 54.20 3hfq s GLN 210 Cb -0.08 0.14 0.01 0.00 1.00 0.00 0.00 33.01 34.08 3hfq s GLN 210 CO 0.84 -0.24 -0.12 0.42 -2.12 0.00 0.00 175.29 174.08 3hfq s ILE 211 N -3.97 1.09 -0.17 1.08 1.01 -0.06 0.13 121.20 120.31 3hfq s ILE 211 Ca 0.24 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 3hfq s ILE 211 Cb 0.07 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3hfq s ILE 211 CO 0.02 0.34 0.01 0.00 0.00 0.00 0.00 174.94 175.32 3hfq s ALA 212 N 0.56 3.21 -0.05 9.38 0.00 -0.06 -1.56 121.76 133.24 3hfq s ALA 212 Ca -0.12 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3hfq s ALA 212 Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 3hfq s ALA 212 CO 0.03 0.21 0.53 -1.12 0.00 0.00 0.00 175.76 175.41 3hfq s SER 213 N 0.32 6.83 0.05 0.00 0.01 -0.14 -0.99 113.70 119.79 3hfq s SER 213 Ca -0.00 0.99 0.06 0.00 1.31 0.00 0.00 55.95 58.31 3hfq s SER 213 Cb -0.13 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 3hfq s SER 213 CO 0.02 0.08 -0.17 -0.76 0.41 0.00 0.00 173.24 172.81 3hfq s LEU 214 N 0.07 2.20 -0.19 2.44 1.43 0.54 -0.05 118.68 125.12 3hfq s LEU 214 Ca 0.28 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3hfq s LEU 214 Cb -0.17 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 3hfq s LEU 214 CO 0.14 0.06 0.12 -0.75 0.23 0.00 0.00 176.35 176.15 3hfq s LYS 215 N -1.34 4.07 -0.09 1.70 2.47 -0.08 -0.95 119.74 125.52 3hfq s LYS 215 Ca 0.04 -0.24 0.01 0.00 -1.56 0.00 0.00 55.97 54.22 3hfq s LYS 215 Cb -0.09 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 32.90 3hfq s LYS 215 CO 0.02 0.34 -0.10 -0.47 0.16 0.00 0.00 175.35 175.31 3hfq s TYR 216 N 0.22 2.86 -0.24 4.03 5.04 0.73 -1.60 117.35 128.40 3hfq s TYR 216 Ca 0.08 -0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3hfq s TYR 216 Cb -0.11 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.47 3hfq s TYR 216 CO -0.01 0.13 -0.09 0.34 -1.34 0.00 0.00 175.55 174.58 3hfq s ASP 217 N -0.38 4.12 0.50 4.32 -1.08 -0.74 -4.65 116.67 118.75 3hfq s ASP 217 Ca 0.05 -0.91 0.22 0.00 -0.52 0.00 0.00 52.55 51.40 3hfq s ASP 217 Cb -0.12 -1.61 1.31 0.00 -1.46 0.00 0.00 42.92 41.03 3hfq s ASP 217 CO 0.02 -0.11 2.06 0.71 0.52 0.00 0.00 175.17 178.37 3hfq h THR 218 N 6.19 0.80 -0.29 1.71 1.35 -1.90 0.44 112.91 121.21 3hfq h THR 218 Ca -0.33 -0.50 -0.11 0.00 -0.55 0.00 0.00 66.41 64.92 3hfq h THR 218 Cb 1.10 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3hfq h THR 218 CO 0.57 0.13 -0.26 1.56 -0.25 0.00 0.00 175.52 177.26 3hfq h GLN 219 N 0.00 0.58 0.00 4.72 4.20 -1.97 -3.23 115.11 119.42 3hfq h GLN 219 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3hfq h GLN 219 Cb 0.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hfq h GLN 219 CO 0.02 0.79 -1.30 0.25 -0.67 0.00 0.00 178.83 177.91 3hfq n THR 220 N -4.10 0.00 -2.54 -0.54 -2.24 -1.00 -4.98 114.28 98.88 3hfq n THR 220 Ca -0.00 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 3hfq n THR 220 Cb 0.43 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3hfq n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hfq n GLY 221 N 1.45 -0.39 3.37 3.38 0.00 0.15 -4.85 105.19 108.30 3hfq n GLY 221 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 3hfq n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfq s ALA 222 N -2.98 1.98 0.32 4.61 0.00 -1.19 -4.48 121.76 120.01 3hfq s ALA 222 Ca 0.09 -1.89 0.09 0.00 0.00 0.00 0.00 51.96 50.25 3hfq s ALA 222 Cb -0.04 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3hfq s ALA 222 CO 0.11 -0.32 0.02 -0.06 0.00 0.00 0.00 175.76 175.51 3hfq s PHE 223 N -3.46 2.59 -0.04 0.00 0.08 -1.26 -1.79 117.98 114.10 3hfq s PHE 223 Ca 0.33 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3hfq s PHE 223 Cb 0.07 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3hfq s PHE 223 CO 0.12 0.50 0.05 0.99 -0.10 0.00 0.00 175.22 176.78 3hfq s THR 224 N -2.46 -0.08 0.07 0.64 2.01 -0.62 -4.96 115.64 110.24 3hfq s THR 224 Ca 0.34 0.36 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 3hfq s THR 224 Cb -0.02 -0.14 -0.06 0.00 0.01 0.00 0.00 72.50 72.28 3hfq s THR 224 CO 0.20 0.16 1.27 -1.58 -0.69 0.00 0.00 174.62 173.98 3hfq s GLN 225 N 1.85 4.38 -0.26 4.92 0.74 -1.26 -0.91 119.66 129.13 3hfq s GLN 225 Ca 0.01 1.88 -0.10 0.00 0.05 0.00 0.00 55.36 57.21 3hfq s GLN 225 Cb -0.12 -3.33 -0.15 0.00 1.10 0.00 0.00 33.01 30.51 3hfq s GLN 225 CO -0.03 -0.34 -0.23 1.28 -0.55 0.00 0.00 175.29 175.42 3hfq n LEU 226 N 4.03 2.29 -3.77 3.68 4.32 0.92 -4.93 117.00 123.54 3hfq n LEU 226 Ca 0.10 0.20 -0.03 0.00 -0.02 0.00 0.00 56.01 56.26 3hfq n LEU 226 Cb 0.45 -0.88 -0.01 0.00 -1.62 0.00 0.00 43.42 41.36 3hfq n LEU 226 CO 0.57 0.67 0.77 -0.83 -1.22 0.00 0.00 177.39 177.35 3hfq s GLY 227 N -5.75 -0.16 -0.00 -0.72 0.00 -1.21 -4.98 107.32 94.50 3hfq s GLY 227 Ca -0.36 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.42 3hfq s GLY 227 CO 0.55 0.53 -0.02 -0.42 0.00 0.00 0.00 173.10 173.74 3hfq s ILE 228 N -2.95 0.14 0.12 0.90 1.01 -1.26 -0.96 121.20 118.20 3hfq s ILE 228 Ca 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.75 3hfq s ILE 228 Cb -0.01 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 3hfq s ILE 228 CO 0.03 0.03 -0.11 0.68 0.00 0.00 0.00 174.94 175.56 3hfq s VAL 229 N -0.07 1.15 0.31 2.92 -7.23 -0.60 -4.97 120.40 111.91 3hfq s VAL 229 Ca 0.00 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 3hfq s VAL 229 Cb -0.01 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.27 3hfq s VAL 229 CO -0.00 -0.58 0.66 -0.54 -0.31 0.00 0.00 175.10 174.33 3hfq s LYS 230 N -3.10 3.85 0.00 4.82 1.02 -1.26 -0.88 119.74 124.18 3hfq s LYS 230 Ca 0.11 0.42 0.21 0.00 0.02 0.00 0.00 55.97 56.73 3hfq s LYS 230 Cb -0.02 -2.52 0.14 0.00 -0.52 0.00 0.00 37.83 34.92 3hfq s LYS 230 CO 0.01 0.17 1.15 0.25 -0.92 0.00 0.00 175.35 176.01 3hfq n THR 231 N -0.57 0.00 -4.13 2.17 -2.24 -0.42 -4.86 114.28 104.24 3hfq n THR 231 Ca 0.02 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 3hfq n THR 231 Cb 0.53 1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 70.08 3hfq n THR 231 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hfq s ILE 232 N -1.87 0.04 0.54 2.28 -4.36 -1.26 -4.80 121.20 111.77 3hfq s ILE 232 Ca 0.23 -1.82 -0.21 0.00 -0.26 0.00 0.00 60.65 58.60 3hfq s ILE 232 Cb 0.18 -2.23 -0.06 0.00 1.25 0.00 0.00 42.46 41.59 3hfq s ILE 232 CO 0.31 -0.19 1.05 -2.65 0.24 0.00 0.00 174.94 173.70 3hfq n PRO 233 N -0.22 1.19 0.25 0.37 -0.02 -1.26 -4.88 135.00 130.44 3hfq n PRO 233 Ca -0.02 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.00 3hfq n PRO 233 Cb 0.64 -2.21 0.66 0.00 -0.02 0.00 0.00 33.50 32.57 3hfq n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hfq h ALA 234 N 0.98 1.64 -0.02 3.55 0.00 -2.00 -2.66 119.26 120.75 3hfq h ALA 234 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3hfq h ALA 234 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hfq h ALA 234 CO 0.54 0.12 -0.09 -0.40 0.00 0.00 0.00 179.25 179.42 3hfq n ASP 235 N -4.13 2.02 -4.56 0.00 5.68 -1.26 -4.82 116.55 109.47 3hfq n ASP 235 Ca -0.03 -1.59 -0.41 0.00 -0.50 0.00 0.00 54.79 52.26 3hfq n ASP 235 Cb 0.18 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.21 3hfq n ASP 235 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hfq s TYR 236 N -2.13 2.38 -1.36 2.11 5.04 -1.00 -4.84 117.35 117.55 3hfq s TYR 236 Ca 0.30 0.23 0.24 0.00 -2.44 0.00 0.00 57.07 55.40 3hfq s TYR 236 Cb 0.20 -4.53 0.25 0.00 0.35 0.00 0.00 41.96 38.22 3hfq s TYR 236 CO 0.38 -1.89 1.23 0.25 -1.34 0.00 0.00 175.55 174.18 3hfq n THR 237 N 6.59 0.00 -1.36 4.34 -2.24 -1.26 -4.92 114.28 115.42 3hfq n THR 237 Ca 0.07 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 3hfq n THR 237 Cb 0.49 0.69 0.18 0.00 -2.10 0.00 0.00 70.33 69.60 3hfq n THR 237 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfq s ALA 238 N -2.80 1.27 0.28 6.98 0.00 -1.26 -4.95 121.76 121.28 3hfq s ALA 238 Ca 0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3hfq s ALA 238 Cb 0.18 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.20 3hfq s ALA 238 CO 0.69 -2.84 1.52 1.58 0.00 0.00 0.00 175.76 176.71 3hfq n HIS 239 N -4.17 2.61 -3.68 0.00 -0.00 -1.26 -5.00 115.22 103.72 3hfq n HIS 239 Ca 0.09 0.32 -0.10 0.00 -0.00 0.00 0.00 57.72 58.03 3hfq n HIS 239 Cb 0.59 -2.55 -0.09 0.00 -0.00 0.00 0.00 29.99 27.94 3hfq n HIS 239 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3hfq s ASN 240 N 0.40 -0.67 -0.17 0.26 2.47 -1.26 -4.24 114.94 111.74 3hfq s ASN 240 Ca 0.65 1.15 -0.01 0.00 0.42 0.00 0.00 52.86 55.07 3hfq s ASN 240 Cb -0.55 1.07 0.05 0.00 -1.45 0.00 0.00 41.25 40.36 3hfq s ASN 240 CO 0.49 -0.21 -0.01 -0.83 -3.72 0.00 0.00 177.10 172.82 3hfq s GLY 241 N 1.15 0.83 0.66 1.21 0.00 -0.24 -4.66 107.32 106.27 3hfq s GLY 241 Ca -0.07 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 3hfq s GLY 241 CO -0.11 1.15 1.18 0.00 0.00 0.00 0.00 173.10 175.31 3hfq s ALA 242 N 1.74 2.38 0.00 3.20 0.00 -0.92 -1.44 121.76 126.72 3hfq s ALA 242 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3hfq s ALA 242 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3hfq s ALA 242 CO -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 175.76 174.26 3hfq n ALA 243 N -2.20 1.27 -2.25 0.00 0.00 -0.23 -4.30 120.51 112.81 3hfq n ALA 243 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 3hfq n ALA 243 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3hfq n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfq s ALA 244 N -2.00 3.41 -0.03 0.00 0.00 -1.25 -4.53 121.76 117.36 3hfq s ALA 244 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3hfq s ALA 244 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.52 3hfq s ALA 244 CO 0.00 0.18 0.06 -1.50 0.00 0.00 0.00 175.76 174.50 3hfq s ILE 245 N -2.16 -0.05 0.09 0.00 2.07 -1.26 -1.78 121.20 118.11 3hfq s ILE 245 Ca 0.50 0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.98 3hfq s ILE 245 Cb -0.10 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 3hfq s ILE 245 CO 0.26 0.08 -0.10 -0.13 -1.91 0.00 0.00 174.94 173.15 3hfq s ARG 246 N 1.05 0.81 -0.03 3.50 1.81 0.00 -4.78 118.95 121.31 3hfq s ARG 246 Ca -0.09 -1.11 0.03 0.00 -1.72 0.00 0.00 55.73 52.84 3hfq s ARG 246 Cb -0.12 -0.49 0.00 0.00 -0.45 0.00 0.00 34.95 33.89 3hfq s ARG 246 CO -0.04 0.07 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.37 3hfq s LEU 247 N -2.35 1.84 0.78 2.53 2.96 -1.26 -0.44 118.68 122.75 3hfq s LEU 247 Ca 0.04 -0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 3hfq s LEU 247 Cb -0.03 -0.68 0.07 0.00 0.50 0.00 0.00 46.19 46.04 3hfq s LEU 247 CO -0.00 0.10 1.17 -0.94 -1.32 0.00 0.00 176.35 175.36 3hfq s SER 248 N 0.10 3.91 0.39 3.68 1.04 -0.39 -4.86 113.70 117.57 3hfq s SER 248 Ca -0.03 2.23 0.10 0.00 0.48 0.00 0.00 55.95 58.73 3hfq s SER 248 Cb -0.09 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.33 3hfq s SER 248 CO 0.01 -2.45 1.96 -0.74 0.98 0.00 0.00 173.24 173.00 3hfq h HIS 249 N -0.82 0.62 0.00 5.02 2.76 -2.00 0.94 115.15 121.67 3hfq h HIS 249 Ca -0.46 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3hfq h HIS 249 Cb 1.28 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3hfq h HIS 249 CO 0.50 0.31 0.00 -0.40 -1.30 0.00 0.00 177.93 177.03 3hfq n ASP 250 N -4.48 0.00 -0.04 3.26 3.85 -1.26 -4.79 116.55 113.09 3hfq n ASP 250 Ca 0.11 0.07 -0.00 0.00 -0.71 0.00 0.00 54.79 54.26 3hfq n ASP 250 Cb 0.31 -0.36 -0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3hfq n ASP 250 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hfq n GLY 251 N 1.33 0.41 0.12 6.12 0.00 0.32 -4.92 105.19 108.58 3hfq n GLY 251 Ca 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3hfq n GLY 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hfq h HIS 252 N 0.00 0.00 -3.69 1.61 3.86 -1.87 -3.43 115.15 111.63 3hfq h HIS 252 Ca -0.01 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.75 3hfq h HIS 252 Cb 0.27 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.42 3hfq h HIS 252 CO 0.16 0.35 -0.79 -0.06 0.86 0.00 0.00 177.93 178.44 3hfq s PHE 253 N -3.08 1.08 -0.08 2.45 0.08 -1.26 -0.59 117.98 116.58 3hfq s PHE 253 Ca 0.00 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3hfq s PHE 253 Cb 0.08 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3hfq s PHE 253 CO 0.77 -0.15 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.51 3hfq s LEU 254 N 0.38 3.20 0.02 -0.37 2.96 0.41 -1.27 118.68 124.02 3hfq s LEU 254 Ca -0.07 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3hfq s LEU 254 Cb -0.11 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3hfq s LEU 254 CO 0.01 0.35 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.91 3hfq s TYR 255 N -0.73 1.49 -0.02 5.38 1.51 0.42 -0.36 117.35 125.03 3hfq s TYR 255 Ca 0.11 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 3hfq s TYR 255 Cb -0.11 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3hfq s TYR 255 CO 0.02 0.03 0.10 0.54 -1.11 0.00 0.00 175.55 175.13 3hfq s VAL 256 N -0.64 0.03 -0.03 0.71 0.11 -0.85 -0.82 120.40 118.91 3hfq s VAL 256 Ca 0.05 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.78 3hfq s VAL 256 Cb -0.07 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3hfq s VAL 256 CO 0.01 -0.16 0.16 -0.94 -3.33 0.00 0.00 175.10 170.84 3hfq s SER 257 N -0.49 6.26 -0.18 3.54 1.04 -0.73 -0.65 113.70 122.49 3hfq s SER 257 Ca -0.06 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3hfq s SER 257 Cb -0.04 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.14 3hfq s SER 257 CO 0.00 0.29 -0.16 0.20 0.98 0.00 0.00 173.24 174.55 3hfq s ASN 258 N -1.74 3.45 -0.42 7.02 -0.87 0.09 -1.06 114.94 121.40 3hfq s ASN 258 Ca 0.24 -0.57 -0.19 0.00 -1.57 0.00 0.00 52.86 50.78 3hfq s ASN 258 Cb -0.12 -1.54 0.02 0.00 -0.02 0.00 0.00 41.25 39.59 3hfq s ASN 258 CO 0.15 0.02 0.52 -0.13 -2.57 0.00 0.00 177.10 175.08 3hfq s ARG 259 N 1.21 3.18 0.00 -0.60 0.52 -0.52 -1.59 118.95 121.16 3hfq s ARG 259 Ca 0.02 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 3hfq s ARG 259 Cb -0.14 -3.95 0.00 0.00 0.52 0.00 0.00 34.95 31.38 3hfq s ARG 259 CO -0.08 -0.90 0.00 0.41 0.02 0.00 0.00 175.30 174.75 3hfq n GLY 260 N 5.07 2.57 0.19 -3.53 0.00 -1.26 -1.08 105.19 107.15 3hfq n GLY 260 Ca -0.05 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.49 3hfq n GLY 260 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hfq h TYR 261 N 0.00 0.00 -6.24 1.61 3.20 -1.74 -3.48 116.97 110.33 3hfq h TYR 261 Ca 0.00 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.47 3hfq h TYR 261 Cb 0.00 0.00 0.06 0.00 1.54 0.00 0.00 36.73 38.33 3hfq h TYR 261 CO 0.00 0.00 -0.85 0.09 -1.64 0.00 0.00 178.16 175.76 3hfq n ASN 262 N -2.69 -5.53 -3.76 -2.11 3.02 -0.62 -4.95 115.26 98.63 3hfq n ASN 262 Ca 0.03 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.54 3hfq n ASN 262 Cb 0.37 -3.26 -0.07 0.00 -0.61 0.00 0.00 39.78 36.21 3hfq n ASN 262 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hfq s THR 263 N -3.33 0.00 -0.14 3.41 -4.23 -1.14 -2.07 115.64 108.13 3hfq s THR 263 Ca 0.34 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3hfq s THR 263 Cb -0.13 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3hfq s THR 263 CO 0.86 0.00 -0.15 -0.76 -0.54 0.00 0.00 174.62 174.03 3hfq s LEU 264 N -3.18 2.54 -0.17 4.79 1.43 -0.17 -0.73 118.68 123.19 3hfq s LEU 264 Ca 0.33 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3hfq s LEU 264 Cb 0.02 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3hfq s LEU 264 CO 0.16 0.12 0.06 0.00 0.23 0.00 0.00 176.35 176.92 3hfq s ALA 265 N 0.60 3.41 -0.15 4.21 0.00 0.17 -1.67 121.76 128.33 3hfq s ALA 265 Ca -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 3hfq s ALA 265 Cb -0.16 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3hfq s ALA 265 CO 0.03 0.26 -0.02 0.08 0.00 0.00 0.00 175.76 176.12 3hfq s VAL 266 N 0.12 4.09 0.00 0.00 1.01 0.83 -2.00 120.40 124.45 3hfq s VAL 266 Ca 0.05 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3hfq s VAL 266 Cb -0.12 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3hfq s VAL 266 CO 0.01 0.50 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 3hfq s PHE 267 N 0.17 1.93 -0.11 5.22 0.40 0.51 -0.27 117.98 125.84 3hfq s PHE 267 Ca -0.00 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.78 3hfq s PHE 267 Cb -0.13 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 3hfq s PHE 267 CO 0.02 0.00 0.48 0.00 0.70 0.00 0.00 175.22 176.43 3hfq s ALA 268 N -0.59 3.49 -0.23 5.36 0.00 0.37 -0.44 121.76 129.72 3hfq s ALA 268 Ca 0.08 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 3hfq s ALA 268 Cb -0.08 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3hfq s ALA 268 CO -0.00 0.04 0.40 0.08 0.00 0.00 0.00 175.76 176.27 3hfq s VAL 269 N 0.48 5.18 0.00 0.00 1.01 0.24 -1.78 120.40 125.53 3hfq s VAL 269 Ca 0.26 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3hfq s VAL 269 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3hfq s VAL 269 CO 0.11 0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.76 3hfq n THR 270 N 4.69 0.00 -1.60 3.92 -2.24 -0.00 -4.80 114.28 114.25 3hfq n THR 270 Ca -0.08 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 3hfq n THR 270 Cb 0.51 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 3hfq n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfq n ALA 271 N -3.00 -0.16 -4.12 6.98 0.00 -1.26 -3.17 120.51 115.78 3hfq n ALA 271 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3hfq n ALA 271 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 3hfq n ALA 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hfq n ASP 272 N 1.33 -0.70 -0.16 0.00 8.00 -1.26 -1.73 116.55 122.04 3hfq n ASP 272 Ca 0.10 -1.08 -0.02 0.00 0.71 0.00 0.00 54.79 54.50 3hfq n ASP 272 Cb 0.31 -2.58 -0.01 0.00 -0.02 0.00 0.00 41.12 38.82 3hfq n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfq n GLY 273 N -1.97 0.42 3.77 0.44 0.00 -1.19 -5.00 105.19 101.67 3hfq n GLY 273 Ca -0.22 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3hfq n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hfq s HIS 274 N -1.64 3.04 0.02 1.61 3.76 -0.70 -4.81 115.29 116.56 3hfq s HIS 274 Ca 0.00 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.56 3hfq s HIS 274 Cb 0.00 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3hfq s HIS 274 CO 0.00 -1.17 -0.23 -0.51 -0.85 0.00 0.00 174.74 171.98 3hfq s LEU 275 N -2.83 2.29 -0.09 0.89 1.43 -1.26 -0.82 118.68 118.29 3hfq s LEU 275 Ca 0.61 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3hfq s LEU 275 Cb -0.26 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3hfq s LEU 275 CO 0.33 0.28 -0.01 -0.89 0.23 0.00 0.00 176.35 176.29 3hfq s THR 276 N -0.78 0.49 0.01 5.49 2.01 -0.73 -4.94 115.64 117.18 3hfq s THR 276 Ca 0.12 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 3hfq s THR 276 Cb -0.10 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 3hfq s THR 276 CO 0.02 0.23 1.52 -0.22 -0.69 0.00 0.00 174.62 175.49 3hfq s LEU 277 N 1.92 4.33 -0.00 4.42 2.96 -1.26 -0.47 118.68 130.57 3hfq s LEU 277 Ca 0.04 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3hfq s LEU 277 Cb -0.13 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 3hfq s LEU 277 CO -0.06 -0.81 0.02 2.30 -1.32 0.00 0.00 176.35 176.47 3hfq n ILE 278 N 4.85 0.00 -3.60 6.68 -5.35 0.63 -4.93 119.36 117.64 3hfq n ILE 278 Ca 0.15 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 3hfq n ILE 278 Cb 0.42 0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 39.21 3hfq n ILE 278 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3hfq s GLN 279 N -1.13 0.69 -0.15 6.28 0.74 -1.13 -4.98 119.66 119.97 3hfq s GLN 279 Ca 0.00 0.45 -0.01 0.00 0.05 0.00 0.00 55.36 55.86 3hfq s GLN 279 Cb 0.00 0.33 0.04 0.00 1.10 0.00 0.00 33.01 34.48 3hfq s GLN 279 CO 0.02 -0.16 -0.04 -0.65 -0.55 0.00 0.00 175.29 173.91 3hfq s GLN 280 N -0.43 1.31 -0.06 1.67 -1.52 -1.26 -0.12 119.66 119.25 3hfq s GLN 280 Ca -0.02 -0.41 0.02 0.00 -1.95 0.00 0.00 55.36 53.01 3hfq s GLN 280 Cb -0.03 -1.85 0.01 0.00 -0.22 0.00 0.00 33.01 30.93 3hfq s GLN 280 CO 0.00 -0.41 -0.11 -1.50 -0.25 0.00 0.00 175.29 173.03 3hfq s ILE 281 N 1.70 1.01 0.51 1.08 2.07 -0.67 -4.95 121.20 121.93 3hfq s ILE 281 Ca 0.02 -0.42 -0.22 0.00 -1.41 0.00 0.00 60.65 58.61 3hfq s ILE 281 Cb -0.15 -0.93 -0.07 0.00 0.13 0.00 0.00 42.46 41.45 3hfq s ILE 281 CO -0.08 0.32 1.22 -0.24 -1.91 0.00 0.00 174.94 174.26 3hfq n SER 282 N 3.75 2.14 -0.60 4.50 2.88 -1.26 -0.99 113.62 124.04 3hfq n SER 282 Ca -0.23 0.99 0.12 0.00 -1.33 0.00 0.00 58.87 58.42 3hfq n SER 282 Cb 0.52 -1.50 0.39 0.00 -0.75 0.00 0.00 64.21 62.88 3hfq n SER 282 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hfq n THR 283 N -0.86 0.16 -3.66 2.46 -2.24 -0.88 -4.80 114.28 104.46 3hfq n THR 283 Ca 0.10 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 3hfq n THR 283 Cb 0.43 0.51 0.05 0.00 -2.10 0.00 0.00 70.33 69.23 3hfq n THR 283 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfq n GLU 284 N 0.42 -6.71 -3.45 -0.78 -0.58 -1.26 -4.65 120.64 103.64 3hfq n GLU 284 Ca 0.17 0.74 0.02 0.00 -0.42 0.00 0.00 57.16 57.68 3hfq n GLU 284 Cb 0.37 -5.71 0.01 0.00 -0.57 0.00 0.00 31.44 25.54 3hfq n GLU 284 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfq n GLY 285 N -1.83 0.29 3.53 0.62 0.00 -1.26 -4.73 105.19 101.80 3hfq n GLY 285 Ca 0.01 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 3hfq n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hfq s ASP 286 N -3.11 4.77 -0.59 1.61 2.15 -1.26 -4.80 116.67 115.43 3hfq s ASP 286 Ca 0.23 -0.09 -0.01 0.00 0.43 0.00 0.00 52.55 53.11 3hfq s ASP 286 Cb -0.00 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 3hfq s ASP 286 CO -0.01 0.23 0.57 0.49 -0.17 0.00 0.00 175.17 176.28 3hfq n PHE 287 N 3.11 -2.50 -2.40 -5.34 3.01 -1.26 -2.03 117.46 110.05 3hfq n PHE 287 Ca -0.18 0.96 -0.37 0.00 1.01 0.00 0.00 57.45 58.87 3hfq n PHE 287 Cb 0.53 -3.66 -0.03 0.00 -0.01 0.00 0.00 39.48 36.31 3hfq n PHE 287 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hfq s PRO 288 N -2.95 3.28 0.41 -1.08 0.04 -1.26 -1.17 135.00 132.28 3hfq s PRO 288 Ca 0.02 -0.94 0.22 0.00 0.04 0.00 0.00 61.00 60.34 3hfq s PRO 288 Cb -0.00 -5.28 0.61 0.00 0.04 0.00 0.00 34.50 29.86 3hfq s PRO 288 CO 0.62 -2.61 1.69 -0.09 0.04 0.00 0.00 177.00 176.66 3hfq h ARG 289 N 10.08 0.00 -3.26 4.56 2.43 -1.86 -3.41 114.38 122.92 3hfq h ARG 289 Ca 0.19 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3hfq h ARG 289 Cb 1.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.41 3hfq h ARG 289 CO 1.36 0.22 -0.02 0.34 -1.51 0.00 0.00 179.97 180.37 3hfq s ASP 290 N -6.21 -0.31 0.10 -3.80 2.15 -1.26 -3.79 116.67 103.55 3hfq s ASP 290 Ca 0.03 -0.21 -0.27 0.00 0.43 0.00 0.00 52.55 52.53 3hfq s ASP 290 Cb 0.08 0.49 0.08 0.00 -0.30 0.00 0.00 42.92 43.28 3hfq s ASP 290 CO 0.66 -0.85 1.05 0.72 -0.17 0.00 0.00 175.17 176.58 3hfq s PHE 291 N -3.61 -0.11 -0.05 -5.34 -0.71 -1.26 -2.11 117.98 104.79 3hfq s PHE 291 Ca 0.01 -0.13 -0.30 0.00 -1.04 0.00 0.00 56.93 55.48 3hfq s PHE 291 Cb 0.01 0.61 0.11 0.00 -1.21 0.00 0.00 43.02 42.54 3hfq s PHE 291 CO -0.11 -0.66 0.93 0.34 -1.34 0.00 0.00 175.22 174.38 3hfq s ASP 292 N -2.92 -0.36 0.44 1.98 2.15 -0.66 -4.85 116.67 112.46 3hfq s ASP 292 Ca 0.12 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.02 3hfq s ASP 292 Cb 0.00 0.35 -0.09 0.00 -0.30 0.00 0.00 42.92 42.89 3hfq s ASP 292 CO 0.00 -0.54 0.91 -0.76 -0.17 0.00 0.00 175.17 174.62 3hfq s LEU 293 N -2.16 3.83 0.83 -1.34 1.02 -1.26 -1.66 118.68 117.94 3hfq s LEU 293 Ca 0.04 1.53 -0.12 0.00 0.02 0.00 0.00 54.13 55.59 3hfq s LEU 293 Cb -0.01 -4.41 0.10 0.00 0.02 0.00 0.00 46.19 41.89 3hfq s LEU 293 CO -0.06 -0.42 1.20 1.51 0.02 0.00 0.00 176.35 178.59 3hfq s ASP 294 N -2.62 4.31 0.39 2.29 -4.77 -0.56 -4.88 116.67 110.83 3hfq s ASP 294 Ca 0.59 0.70 0.11 0.00 -3.30 0.00 0.00 52.55 50.65 3hfq s ASP 294 Cb -0.10 -1.13 0.91 0.00 -1.09 0.00 0.00 42.92 41.52 3hfq s ASP 294 CO 0.22 -2.02 1.91 -0.65 0.70 0.00 0.00 175.17 175.33 3hfq h PRO 295 N -1.13 0.56 0.00 2.11 0.11 -1.92 0.14 132.00 131.87 3hfq h PRO 295 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hfq h PRO 295 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hfq h PRO 295 CO 0.62 0.37 0.00 1.79 -0.21 0.00 0.00 178.00 180.57 3hfq h THR 296 N 0.57 0.00 -0.56 -1.15 1.35 -1.95 -3.47 112.91 107.71 3hfq h THR 296 Ca 0.38 -0.84 -0.24 0.00 -0.55 0.00 0.00 66.41 65.16 3hfq h THR 296 Cb 0.68 1.84 -0.09 0.00 -1.73 0.00 0.00 68.15 68.84 3hfq h THR 296 CO -0.14 0.00 -0.22 -0.62 -0.25 0.00 0.00 175.52 174.29 3hfq n GLU 297 N -3.03 -0.81 -0.00 4.72 1.02 0.04 -4.86 120.64 117.72 3hfq n GLU 297 Ca 0.03 0.91 0.12 0.00 -0.02 0.00 0.00 57.16 58.20 3hfq n GLU 297 Cb 0.47 -4.90 0.14 0.00 -0.02 0.00 0.00 31.44 27.12 3hfq n GLU 297 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hfq n ALA 298 N 1.20 2.47 -2.38 0.62 0.00 -1.26 -4.77 120.51 116.39 3hfq n ALA 298 Ca -0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.57 3hfq n ALA 298 Cb 0.38 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 3hfq n ALA 298 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hfq s PHE 299 N -2.00 0.44 -0.01 0.00 0.08 -1.26 -0.41 117.98 114.82 3hfq s PHE 299 Ca 0.29 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.47 3hfq s PHE 299 Cb 0.20 -0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.43 3hfq s PHE 299 CO 0.30 -0.53 -0.01 0.08 -0.10 0.00 0.00 175.22 174.97 3hfq s VAL 300 N -3.93 0.12 -0.09 -0.44 1.01 -0.83 -1.50 120.40 114.74 3hfq s VAL 300 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3hfq s VAL 300 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.30 3hfq s VAL 300 CO -0.06 0.07 -0.21 -0.69 0.00 0.00 0.00 175.10 174.21 3hfq s VAL 301 N 0.32 1.80 0.08 2.92 1.01 -0.66 -0.82 120.40 125.04 3hfq s VAL 301 Ca -0.03 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.15 3hfq s VAL 301 Cb -0.05 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3hfq s VAL 301 CO -0.01 0.50 -0.20 0.54 0.00 0.00 0.00 175.10 175.94 3hfq s VAL 302 N 0.37 1.61 -0.01 2.92 0.11 -0.68 -1.66 120.40 123.06 3hfq s VAL 302 Ca -0.16 -1.39 0.08 0.00 -2.93 0.00 0.00 61.98 57.58 3hfq s VAL 302 Cb -0.17 -1.45 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 3hfq s VAL 302 CO 0.07 0.01 -0.26 0.68 -3.33 0.00 0.00 175.10 172.27 3hfq s VAL 303 N -1.04 2.07 -0.25 2.04 -7.23 -0.89 -0.64 120.40 114.46 3hfq s VAL 303 Ca 0.06 -1.13 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 3hfq s VAL 303 Cb -0.09 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3hfq s VAL 303 CO 0.03 0.56 0.04 0.20 -0.31 0.00 0.00 175.10 175.62 3hfq s ASN 304 N -0.68 4.89 0.10 4.85 0.01 0.19 -3.52 114.94 120.78 3hfq s ASN 304 Ca 0.10 -0.33 -0.23 0.00 -0.71 0.00 0.00 52.86 51.69 3hfq s ASN 304 Cb -0.10 -1.86 -0.13 0.00 0.41 0.00 0.00 41.25 39.57 3hfq s ASN 304 CO -0.01 -0.05 1.73 -0.61 -1.51 0.00 0.00 177.10 176.65 3hfq h GLN 305 N 8.20 -0.04 0.00 -0.60 4.15 -0.97 -2.87 115.11 122.97 3hfq h GLN 305 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3hfq h GLN 305 Cb 1.16 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3hfq h GLN 305 CO 0.59 -0.03 -0.23 -0.91 -1.93 0.00 0.00 178.83 176.32 3hfq h ASN 306 N -0.04 0.00 -0.26 -0.69 2.35 -1.63 -3.33 115.58 111.98 3hfq h ASN 306 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hfq h ASN 306 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hfq h ASN 306 CO -0.03 0.01 0.00 0.35 -1.65 0.00 0.00 177.43 176.10 3hfq n THR 307 N -2.84 0.57 -3.90 2.81 -2.24 -1.24 -4.94 114.28 102.49 3hfq n THR 307 Ca 0.03 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 3hfq n THR 307 Cb 0.52 0.84 0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3hfq n THR 307 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hfq n ASP 308 N 0.81 -4.64 -4.00 3.42 10.43 -1.09 -4.98 116.55 116.49 3hfq n ASP 308 Ca 0.12 -0.78 -0.09 0.00 2.57 0.00 0.00 54.79 56.61 3hfq n ASP 308 Cb 0.43 -3.90 -0.11 0.00 1.84 0.00 0.00 41.12 39.37 3hfq n ASP 308 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hfq s ASN 309 N -3.37 0.31 0.17 -2.24 2.20 -1.21 -1.94 114.94 108.87 3hfq s ASN 309 Ca 0.63 -0.58 0.08 0.00 -0.94 0.00 0.00 52.86 52.05 3hfq s ASN 309 Cb -0.31 0.11 -0.04 0.00 -2.00 0.00 0.00 41.25 39.01 3hfq s ASN 309 CO 0.83 -0.34 -0.06 0.00 -2.94 0.00 0.00 177.10 174.58 3hfq s ALA 310 N -1.86 3.04 -0.01 3.54 0.00 0.10 -0.63 121.76 125.94 3hfq s ALA 310 Ca -0.12 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.45 3hfq s ALA 310 Cb -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3hfq s ALA 310 CO -0.02 0.48 -0.12 0.99 0.00 0.00 0.00 175.76 177.09 3hfq s THR 311 N -1.69 0.96 -0.13 0.00 2.01 0.18 -2.53 115.64 114.44 3hfq s THR 311 Ca 0.26 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 3hfq s THR 311 Cb -0.09 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3hfq s THR 311 CO 0.16 0.28 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.08 3hfq s LEU 312 N -0.20 3.12 0.18 4.42 2.96 0.74 -1.68 118.68 128.22 3hfq s LEU 312 Ca 0.03 -0.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 3hfq s LEU 312 Cb -0.06 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3hfq s LEU 312 CO -0.00 0.21 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.71 3hfq s TYR 313 N 0.10 2.12 0.01 5.38 1.51 0.00 -1.08 117.35 125.39 3hfq s TYR 313 Ca -0.02 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 3hfq s TYR 313 Cb -0.14 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 3hfq s TYR 313 CO 0.03 0.44 0.26 0.00 -1.11 0.00 0.00 175.55 175.17 3hfq s ALA 314 N -1.83 3.87 -0.10 3.71 0.00 -0.13 -1.96 121.76 125.31 3hfq s ALA 314 Ca 0.19 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.55 3hfq s ALA 314 Cb -0.07 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.04 3hfq s ALA 314 CO 0.09 0.67 -0.15 0.50 0.00 0.00 0.00 175.76 176.87 3hfq s ARG 315 N -1.85 2.16 -0.02 0.00 3.52 0.45 -1.90 118.95 121.31 3hfq s ARG 315 Ca 0.28 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 3hfq s ARG 315 Cb -0.13 -1.83 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 3hfq s ARG 315 CO 0.17 -0.05 1.26 0.34 -0.81 0.00 0.00 175.30 176.22 3hfq s ASP 316 N 0.95 6.99 0.49 -2.12 -1.08 -0.55 -4.57 116.67 116.77 3hfq s ASP 316 Ca -0.08 1.93 0.25 0.00 -0.52 0.00 0.00 52.55 54.14 3hfq s ASP 316 Cb -0.15 -2.56 1.26 0.00 -1.46 0.00 0.00 42.92 40.01 3hfq s ASP 316 CO -0.01 -0.61 2.00 -0.07 0.52 0.00 0.00 175.17 177.00 3hfq h LEU 317 N 8.06 0.00 0.00 -1.34 3.38 -1.91 0.28 115.31 123.79 3hfq h LEU 317 Ca -0.36 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.23 3hfq h LEU 317 Cb 1.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 3hfq h LEU 317 CO 0.88 0.17 -2.44 0.35 0.09 0.00 0.00 178.44 177.49 3hfq n THR 318 N -3.65 1.45 0.06 0.22 -2.24 -1.26 -4.55 114.28 104.32 3hfq n THR 318 Ca -0.01 -0.68 0.09 0.00 -2.27 0.00 0.00 64.05 61.17 3hfq n THR 318 Cb 0.29 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 3hfq n THR 318 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hfq n SER 319 N -3.07 0.68 0.00 3.42 3.41 -1.24 -4.97 113.62 111.86 3hfq n SER 319 Ca -0.41 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3hfq n SER 319 Cb 1.06 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 3hfq n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfq n GLY 320 N 1.25 1.86 3.82 5.00 0.00 0.09 -5.00 105.19 112.20 3hfq n GLY 320 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3hfq n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfq s LYS 321 N -0.06 3.18 0.23 1.61 1.02 -1.26 -4.68 119.74 119.77 3hfq s LYS 321 Ca 0.00 1.05 0.10 0.00 0.02 0.00 0.00 55.97 57.14 3hfq s LYS 321 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 3hfq s LYS 321 CO 0.00 -0.91 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.93 3hfq s LEU 322 N -5.02 3.01 -0.12 3.17 1.43 -1.26 -1.48 118.68 118.41 3hfq s LEU 322 Ca 0.60 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 3hfq s LEU 322 Cb -0.14 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.51 3hfq s LEU 322 CO 0.46 0.05 0.30 -0.94 0.23 0.00 0.00 176.35 176.45 3hfq s SER 323 N -3.28 -0.32 0.31 2.29 1.04 -0.80 -4.97 113.70 107.97 3hfq s SER 323 Ca 0.28 0.61 -0.30 0.00 0.48 0.00 0.00 55.95 57.03 3hfq s SER 323 Cb -0.07 0.57 -0.11 0.00 0.10 0.00 0.00 66.02 66.50 3hfq s SER 323 CO 0.17 -0.13 1.58 -0.11 0.98 0.00 0.00 173.24 175.73 3hfq n LEU 324 N 3.42 4.48 -0.01 2.42 7.94 -1.26 -0.96 117.00 133.04 3hfq n LEU 324 Ca -0.17 1.17 -0.01 0.00 -1.11 0.00 0.00 56.01 55.88 3hfq n LEU 324 Cb 0.56 -1.60 -0.00 0.00 0.53 0.00 0.00 43.42 42.91 3hfq n LEU 324 CO 0.15 0.16 -0.54 0.18 -1.11 0.00 0.00 177.39 176.24 3hfq n LEU 325 N 1.77 0.69 -3.72 -1.96 4.77 -0.25 -4.82 117.00 113.49 3hfq n LEU 325 Ca 0.07 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 3hfq n LEU 325 Cb 0.37 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 3hfq n LEU 325 CO 0.64 0.13 0.12 -1.58 -1.33 0.00 0.00 177.39 175.37 3hfq s GLN 326 N -2.02 0.59 0.35 3.23 0.74 -0.98 -5.00 119.66 116.56 3hfq s GLN 326 Ca -0.01 0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.85 3hfq s GLN 326 Cb 0.01 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 3hfq s GLN 326 CO 0.02 -0.11 0.15 -1.59 -0.55 0.00 0.00 175.29 173.21 3hfq s LYS 327 N -0.21 1.73 -1.54 1.67 -2.85 -1.26 -0.18 119.74 117.10 3hfq s LYS 327 Ca -0.04 -2.02 -0.05 0.00 -1.00 0.00 0.00 55.97 52.87 3hfq s LYS 327 Cb -0.03 -0.33 0.01 0.00 -2.06 0.00 0.00 37.83 35.42 3hfq s LYS 327 CO 0.02 -0.45 0.67 -0.25 0.10 0.00 0.00 175.35 175.44 3hfq n ASP 328 N -1.09 -6.17 -4.64 0.03 8.00 -1.19 -4.97 116.55 106.53 3hfq n ASP 328 Ca -0.01 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 3hfq n ASP 328 Cb 0.65 -4.97 -0.05 0.00 -0.02 0.00 0.00 41.12 36.74 3hfq n ASP 328 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfq s VAL 329 N -3.20 4.86 -0.10 2.53 1.01 -1.05 -4.86 120.40 119.59 3hfq s VAL 329 Ca 0.34 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 3hfq s VAL 329 Cb -0.15 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3hfq s VAL 329 CO 0.42 -0.06 1.46 -0.89 0.00 0.00 0.00 175.10 176.03 3hfq s THR 330 N 2.78 3.90 -0.25 3.92 2.01 -1.26 0.02 115.64 126.76 3hfq s THR 330 Ca 0.33 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.40 3hfq s THR 330 Cb -0.15 -3.72 0.09 0.00 0.01 0.00 0.00 72.50 68.73 3hfq s THR 330 CO 0.07 -0.09 0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 3hfq s VAL 331 N 3.65 -0.15 0.09 3.82 1.01 -0.82 -4.73 120.40 123.28 3hfq s VAL 331 Ca 0.64 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 3hfq s VAL 331 Cb -0.28 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.16 3hfq s VAL 331 CO 0.23 -0.52 1.85 -2.16 0.00 0.00 0.00 175.10 174.49 3hfq s PRO 332 N 2.17 4.14 -1.35 2.72 0.04 -1.26 -3.09 135.00 138.37 3hfq s PRO 332 Ca 0.07 2.57 -0.09 0.00 0.04 0.00 0.00 61.00 63.59 3hfq s PRO 332 Cb -0.16 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.70 3hfq s PRO 332 CO -0.26 -0.86 0.54 0.39 0.04 0.00 0.00 177.00 176.85 3hfq n GLU 333 N 6.17 -3.71 -1.85 4.56 1.02 -1.26 -4.63 120.64 120.94 3hfq n GLU 333 Ca 0.18 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.43 3hfq n GLU 333 Cb 0.39 -5.27 -0.03 0.00 -0.02 0.00 0.00 31.44 26.51 3hfq n GLU 333 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hfq s GLY 334 N -2.77 1.46 0.00 0.62 0.00 -1.18 -2.18 107.32 103.27 3hfq s GLY 334 Ca 0.41 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.60 3hfq s GLY 334 CO 0.51 2.72 0.33 3.33 0.00 0.00 0.00 173.10 179.99 3hfq n VAL 335 N 3.89 0.00 -3.71 1.40 0.24 -0.14 -2.87 118.33 117.14 3hfq n VAL 335 Ca 0.14 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.33 3hfq n VAL 335 Cb 0.37 1.26 -0.11 0.00 -1.47 0.00 0.00 33.84 33.89 3hfq n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hfq s VAL 337 N 1.06 2.69 -0.34 0.00 1.01 -1.26 -0.65 120.40 122.90 3hfq s VAL 337 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3hfq s VAL 337 Cb -0.07 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.16 3hfq s VAL 337 CO -0.09 0.38 0.11 -0.60 0.00 0.00 0.00 175.10 174.90 3hfq s ARG 338 N 1.35 1.04 0.46 2.72 6.06 0.57 -4.80 118.95 126.34 3hfq s ARG 338 Ca 0.03 -1.47 -0.22 0.00 -2.50 0.00 0.00 55.73 51.58 3hfq s ARG 338 Cb -0.15 -2.40 -0.09 0.00 0.06 0.00 0.00 34.95 32.38 3hfq s ARG 338 CO -0.07 -1.00 1.04 -0.06 -2.50 0.00 0.00 175.30 172.70 3hfq s PHE 339 N 1.18 3.09 0.48 5.12 0.40 -1.26 -0.04 117.98 126.95 3hfq s PHE 339 Ca 0.11 1.60 -0.21 0.00 -0.60 0.00 0.00 56.93 57.84 3hfq s PHE 339 Cb -0.19 -3.09 -0.09 0.00 0.51 0.00 0.00 43.02 40.17 3hfq s PHE 339 CO -0.16 -0.76 1.04 -0.51 0.70 0.00 0.00 175.22 175.53 3hfq s LEU 340 N -3.20 3.88 0.00 -0.37 2.01 -0.74 -4.90 118.68 115.36 3hfq s LEU 340 Ca 0.64 1.94 0.02 0.00 0.01 0.00 0.00 54.13 56.74 3hfq s LEU 340 Cb -0.18 -4.52 0.02 0.00 0.01 0.00 0.00 46.19 41.51 3hfq s LEU 340 CO 0.22 -0.75 0.56 -0.62 1.01 0.00 0.00 176.35 176.78