#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhq s TYR 3 N 0.00 3.41 -0.19 4.78 6.14 -1.26 -4.91 117.35 125.32 3fhq s TYR 3 Ca 0.00 1.42 0.15 0.00 0.64 0.00 0.00 57.07 59.28 3fhq s TYR 3 Cb 0.00 -3.15 0.40 0.00 0.42 0.00 0.00 41.96 39.63 3fhq s TYR 3 CO 0.00 -0.33 1.27 0.09 0.64 0.00 0.00 175.55 177.22 3fhq n ASN 4 N 5.57 2.47 -3.19 4.32 4.13 -1.26 -5.04 115.26 122.26 3fhq n ASN 4 Ca 0.08 -3.41 -0.12 0.00 1.68 0.00 0.00 54.58 52.81 3fhq n ASN 4 Cb 0.48 -0.51 0.07 0.00 -1.54 0.00 0.00 39.78 38.28 3fhq n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fhq n GLY 5 N -1.14 0.20 3.76 7.41 0.00 -1.26 -4.61 105.19 109.55 3fhq n GLY 5 Ca 0.21 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3fhq n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fhq s PRO 6 N -3.92 3.35 0.06 1.61 0.02 -1.26 -4.97 135.00 129.90 3fhq s PRO 6 Ca 0.34 2.16 0.07 0.00 0.02 0.00 0.00 61.00 63.59 3fhq s PRO 6 Cb -0.02 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 3fhq s PRO 6 CO 0.23 -1.00 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.21 3fhq s LEU 7 N -3.30 2.21 0.34 -5.54 1.43 -1.26 -1.52 118.68 111.05 3fhq s LEU 7 Ca 0.68 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3fhq s LEU 7 Cb -0.38 -0.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 3fhq s LEU 7 CO 0.46 0.09 1.52 -0.24 0.23 0.00 0.00 176.35 178.40 3fhq n SER 8 N 1.61 3.76 -4.83 2.29 2.88 0.81 -4.70 113.62 115.44 3fhq n SER 8 Ca -0.18 1.20 -0.31 0.00 -1.33 0.00 0.00 58.87 58.25 3fhq n SER 8 Cb 0.54 -1.60 0.05 0.00 -0.75 0.00 0.00 64.21 62.44 3fhq n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3fhq s SER 9 N 0.09 5.41 -0.24 -3.46 0.01 -1.26 -4.74 113.70 109.50 3fhq s SER 9 Ca 0.57 1.51 -0.26 0.00 1.31 0.00 0.00 55.95 59.08 3fhq s SER 9 Cb -0.49 -2.39 0.10 0.00 0.21 0.00 0.00 66.02 63.45 3fhq s SER 9 CO 0.58 -1.41 0.90 -1.38 0.41 0.00 0.00 173.24 172.34 3fhq s HIS 10 N -3.10 -0.58 0.02 2.43 -3.43 -1.26 -4.31 115.29 105.06 3fhq s HIS 10 Ca 0.58 1.34 0.01 0.00 -0.80 0.00 0.00 55.06 56.19 3fhq s HIS 10 Cb -0.13 0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 3fhq s HIS 10 CO 0.55 -0.32 -0.04 -1.58 -2.00 0.00 0.00 174.74 171.34 3fhq s TRP 11 N 0.01 0.34 0.58 0.38 0.51 -0.19 -4.94 118.94 115.62 3fhq s TRP 11 Ca 0.00 -0.39 -0.09 0.00 -2.12 0.00 0.00 56.10 53.51 3fhq s TRP 11 Cb -0.04 -0.22 -0.04 0.00 -0.81 0.00 0.00 33.47 32.36 3fhq s TRP 11 CO -0.02 -0.11 0.95 -0.06 -0.51 0.00 0.00 176.95 177.20 3fhq s PHE 12 N -1.06 3.60 0.39 -1.98 0.08 -1.26 -1.71 117.98 116.04 3fhq s PHE 12 Ca -0.10 1.12 0.12 0.00 0.12 0.00 0.00 56.93 58.19 3fhq s PHE 12 Cb -0.07 -2.59 0.93 0.00 -0.57 0.00 0.00 43.02 40.72 3fhq s PHE 12 CO -0.00 -0.56 1.88 -1.35 -0.10 0.00 0.00 175.22 175.09 3fhq h PRO 13 N -0.14 0.54 0.00 0.24 0.11 -1.98 -1.31 132.00 129.45 3fhq h PRO 13 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3fhq h PRO 13 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3fhq h PRO 13 CO 0.62 0.36 -0.23 0.93 -0.21 0.00 0.00 178.00 179.47 3fhq h GLU 14 N 0.56 0.00 -0.03 1.05 4.39 -1.96 -2.32 114.58 116.27 3fhq h GLU 14 Ca 0.42 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.88 3fhq h GLU 14 Cb 0.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3fhq h GLU 14 CO -0.17 0.23 -0.95 0.93 -1.16 0.00 0.00 179.01 177.88 3fhq h GLU 15 N 0.00 0.61 -0.06 2.33 5.08 -1.63 -3.27 114.58 117.63 3fhq h GLU 15 Ca -0.00 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 3fhq h GLU 15 Cb 0.89 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fhq h GLU 15 CO 0.03 1.23 0.02 1.25 -1.00 0.00 0.00 179.01 180.54 3fhq h LEU 16 N 0.36 0.09 -0.92 1.33 5.85 -1.32 -2.31 115.31 118.39 3fhq h LEU 16 Ca -0.10 -0.18 0.23 0.00 0.84 0.00 0.00 57.88 58.67 3fhq h LEU 16 Cb 1.59 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 42.43 3fhq h LEU 16 CO 0.18 0.24 -0.02 0.00 -0.34 0.00 0.00 178.44 178.50 3fhq h ALA 17 N 0.85 0.97 -0.58 1.25 0.00 -1.52 0.73 119.26 120.97 3fhq h ALA 17 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3fhq h ALA 17 Cb 0.18 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fhq h ALA 17 CO -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.75 3fhq n GLN 18 N -5.47 3.83 -3.04 0.00 10.64 -1.08 -4.91 117.38 117.35 3fhq n GLN 18 Ca 0.19 -2.70 -0.40 0.00 -1.83 0.00 0.00 57.00 52.27 3fhq n GLN 18 Cb 0.63 -1.96 -0.05 0.00 -0.86 0.00 0.00 30.24 28.00 3fhq n GLN 18 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 3fhq s TRP 19 N -2.06 3.76 -0.08 2.61 -0.00 0.25 -5.03 118.94 118.38 3fhq s TRP 19 Ca 0.48 1.43 -0.05 0.00 -0.00 0.00 0.00 56.10 57.96 3fhq s TRP 19 Cb 0.33 -2.75 0.03 0.00 -0.00 0.00 0.00 33.47 31.08 3fhq s TRP 19 CO 0.20 0.34 0.21 -2.00 -0.00 0.00 0.00 176.95 175.70 3fhq s GLU 20 N -0.31 0.19 0.17 5.86 2.56 -1.26 -5.02 118.70 120.89 3fhq s GLU 20 Ca 0.36 0.39 -0.15 0.00 0.00 0.00 0.00 54.97 55.57 3fhq s GLU 20 Cb -0.20 -0.04 0.10 0.00 2.00 0.00 0.00 34.13 35.99 3fhq s GLU 20 CO 0.22 -0.11 1.76 -1.35 -0.56 0.00 0.00 175.26 175.22 3fhq h PRO 21 N 6.64 0.32 -0.14 4.30 0.10 -1.96 -2.57 132.00 138.70 3fhq h PRO 21 Ca -0.35 -0.02 0.04 0.00 0.10 0.00 0.00 66.00 65.77 3fhq h PRO 21 Cb 1.17 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 32.19 3fhq h PRO 21 CO 0.39 0.21 0.36 -0.44 0.10 0.00 0.00 178.00 178.62 3fhq h ASP 22 N 0.33 0.00 -0.01 -2.05 3.32 -2.01 -0.98 116.42 115.02 3fhq h ASP 22 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3fhq h ASP 22 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fhq h ASP 22 CO -0.18 0.00 -0.51 -1.54 -1.72 0.00 0.00 179.24 175.29 3fhq n SER 23 N -3.19 1.10 -4.57 6.45 3.41 -0.98 -4.90 113.62 110.94 3fhq n SER 23 Ca 0.01 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 3fhq n SER 23 Cb 0.45 0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 65.08 3fhq n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fhq s ASP 24 N -2.11 6.37 0.54 4.04 -1.08 -0.37 -4.94 116.67 119.12 3fhq s ASP 24 Ca 0.09 0.07 0.20 0.00 -0.52 0.00 0.00 52.55 52.39 3fhq s ASP 24 Cb 0.12 -2.29 1.39 0.00 -1.46 0.00 0.00 42.92 40.68 3fhq s ASP 24 CO 0.49 -0.52 2.14 -0.65 0.52 0.00 0.00 175.17 177.16 3fhq h PRO 25 N 8.44 0.00 0.00 4.34 0.11 -1.91 -2.68 132.00 140.30 3fhq h PRO 25 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3fhq h PRO 25 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fhq h PRO 25 CO 0.80 0.00 -1.16 -0.25 -0.21 0.00 0.00 178.00 177.18 3fhq n ASP 26 N -4.37 0.75 -0.29 -2.05 9.92 -1.26 -4.39 116.55 114.86 3fhq n ASP 26 Ca -0.01 0.29 0.10 0.00 -0.53 0.00 0.00 54.79 54.64 3fhq n ASP 26 Cb 0.17 0.60 0.26 0.00 -0.64 0.00 0.00 41.12 41.50 3fhq n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fhq h ALA 27 N 1.94 1.28 0.00 2.24 0.00 -1.76 -1.29 119.26 121.68 3fhq h ALA 27 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3fhq h ALA 27 Cb 1.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3fhq h ALA 27 CO 0.00 -0.28 -0.37 -1.35 0.00 0.00 0.00 179.25 177.26 3fhq h PRO 28 N 0.43 0.00 0.00 0.00 0.11 -1.77 -1.45 132.00 129.32 3fhq h PRO 28 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3fhq h PRO 28 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3fhq h PRO 28 CO -0.48 0.37 0.00 0.74 -0.21 0.00 0.00 178.00 178.42 3fhq h PHE 29 N 0.00 0.00 -0.06 0.65 0.04 -1.52 -3.20 116.94 112.85 3fhq h PHE 29 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fhq h PHE 29 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 3fhq h PHE 29 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 3fhq n ASN 30 N -2.97 2.71 -4.69 2.17 3.02 -0.56 -4.69 115.26 110.25 3fhq n ASN 30 Ca 0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.25 3fhq n ASN 30 Cb 0.35 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3fhq n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fhq s ARG 31 N -1.95 4.38 0.23 3.52 0.52 -1.15 -4.20 118.95 120.29 3fhq s ARG 31 Ca 0.31 1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.82 3fhq s ARG 31 Cb 0.20 -3.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 3fhq s ARG 31 CO 0.31 -0.39 1.26 0.45 0.02 0.00 0.00 175.30 176.94 3fhq s SER 32 N 1.34 6.97 -0.25 0.23 0.15 0.14 -4.92 113.70 117.36 3fhq s SER 32 Ca 0.54 2.39 0.10 0.00 0.70 0.00 0.00 55.95 59.68 3fhq s SER 32 Cb -0.23 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 61.93 3fhq s SER 32 CO 0.21 -0.44 1.36 1.41 1.20 0.00 0.00 173.24 176.98 3fhq n HIS 33 N 2.12 0.64 -3.89 3.44 8.25 -1.26 -4.74 115.22 119.77 3fhq n HIS 33 Ca 0.04 -1.50 -0.30 0.00 -0.26 0.00 0.00 57.72 55.69 3fhq n HIS 33 Cb 0.43 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.01 3fhq n HIS 33 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fhq s VAL 34 N -3.21 1.46 0.57 1.59 1.01 -1.26 -4.99 120.40 115.57 3fhq s VAL 34 Ca 0.42 -1.44 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 3fhq s VAL 34 Cb 0.38 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3fhq s VAL 34 CO -0.02 -0.34 1.14 -2.84 0.00 0.00 0.00 175.10 173.03 3fhq s PRO 35 N 1.38 3.21 -0.17 2.72 0.02 -1.26 -4.77 135.00 136.13 3fhq s PRO 35 Ca 0.01 1.61 -0.34 0.00 0.02 0.00 0.00 61.00 62.31 3fhq s PRO 35 Cb -0.18 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 3fhq s PRO 35 CO -0.11 -0.97 1.97 -0.11 -0.33 0.00 0.00 177.00 177.45 3fhq n LEU 36 N -1.52 3.10 -4.67 -5.54 7.94 -1.26 -4.57 117.00 110.49 3fhq n LEU 36 Ca 0.12 0.79 -0.42 0.00 -1.11 0.00 0.00 56.01 55.39 3fhq n LEU 36 Cb 0.51 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 3fhq n LEU 36 CO 0.43 -0.28 1.38 -1.61 -1.11 0.00 0.00 177.39 176.20 3fhq s GLU 37 N 4.71 4.18 0.44 1.96 0.41 -0.50 -4.96 118.70 124.94 3fhq s GLU 37 Ca 0.97 2.25 -0.13 0.00 -0.41 0.00 0.00 54.97 57.66 3fhq s GLU 37 Cb -0.72 -3.91 -0.07 0.00 -1.78 0.00 0.00 34.13 27.65 3fhq s GLU 37 CO 0.51 -0.82 0.85 -1.25 -0.49 0.00 0.00 175.26 174.05 3fhq s PRO 38 N 3.73 3.86 -0.45 0.39 0.05 -1.26 -3.97 135.00 137.35 3fhq s PRO 38 Ca 0.75 0.67 -0.07 0.00 0.05 0.00 0.00 61.00 62.40 3fhq s PRO 38 Cb -0.36 -2.30 0.01 0.00 0.05 0.00 0.00 34.50 31.90 3fhq s PRO 38 CO 0.31 -0.10 0.51 0.41 0.05 0.00 0.00 177.00 178.18 3fhq n GLY 39 N -1.31 -1.12 3.87 0.56 0.00 -1.26 -5.02 105.19 100.90 3fhq n GLY 39 Ca 0.04 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 3fhq n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhq s ARG 40 N -2.61 3.59 -0.04 1.61 0.52 -1.26 -4.85 118.95 115.90 3fhq s ARG 40 Ca 0.11 0.77 0.06 0.00 -0.52 0.00 0.00 55.73 56.15 3fhq s ARG 40 Cb -0.03 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 3fhq s ARG 40 CO 0.60 -0.58 -0.23 0.54 0.02 0.00 0.00 175.30 175.65 3fhq s VAL 41 N -3.15 1.86 0.43 3.52 0.11 0.46 -4.87 120.40 118.76 3fhq s VAL 41 Ca 0.55 -0.97 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 3fhq s VAL 41 Cb -0.11 -1.57 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 3fhq s VAL 41 CO 0.53 0.52 0.75 0.00 -3.33 0.00 0.00 175.10 173.58 3fhq s ALA 42 N -0.24 3.40 0.47 1.54 0.00 -1.26 -0.52 121.76 125.15 3fhq s ALA 42 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.65 3fhq s ALA 42 Cb -0.12 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.42 3fhq s ALA 42 CO 0.02 -0.15 0.64 0.16 0.00 0.00 0.00 175.76 176.43 3fhq s ASP 43 N -3.61 5.49 -0.02 0.00 -4.77 0.43 -4.94 116.67 109.25 3fhq s ASP 43 Ca 0.49 -0.45 0.03 0.00 -3.30 0.00 0.00 52.55 49.32 3fhq s ASP 43 Cb -0.10 -0.50 0.04 0.00 -1.09 0.00 0.00 42.92 41.26 3fhq s ASP 43 CO 0.38 -0.93 0.89 0.54 0.70 0.00 0.00 175.17 176.75 3fhq n ARG 44 N -2.00 1.72 0.24 2.11 5.12 -1.26 -4.65 116.66 117.94 3fhq n ARG 44 Ca 0.09 -1.36 0.10 0.00 -1.93 0.00 0.00 57.85 54.76 3fhq n ARG 44 Cb 0.60 -0.90 0.60 0.00 -1.16 0.00 0.00 32.46 31.59 3fhq n ARG 44 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3fhq h VAL 45 N 1.33 0.67 -3.57 1.55 -1.51 -1.97 -3.42 116.25 109.34 3fhq h VAL 45 Ca 0.00 -0.80 -0.67 0.00 -1.23 0.00 0.00 66.70 64.01 3fhq h VAL 45 Cb 0.78 1.50 -0.26 0.00 -2.13 0.00 0.00 31.29 31.18 3fhq h VAL 45 CO 0.00 0.18 -0.65 0.21 -1.23 0.00 0.00 177.57 176.08 3fhq s ASN 46 N -6.29 4.92 0.41 4.19 3.84 -1.26 -4.57 114.94 116.18 3fhq s ASN 46 Ca -0.02 -0.56 0.16 0.00 0.21 0.00 0.00 52.86 52.65 3fhq s ASN 46 Cb 0.13 -1.85 0.88 0.00 -0.55 0.00 0.00 41.25 39.86 3fhq s ASN 46 CO 0.62 -0.12 1.88 0.00 -2.79 0.00 0.00 177.10 176.69 3fhq h ALA 47 N 8.20 1.37 0.00 1.71 0.00 -1.83 -2.43 119.26 126.27 3fhq h ALA 47 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3fhq h ALA 47 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3fhq h ALA 47 CO 0.60 0.38 0.00 -0.97 0.00 0.00 0.00 179.25 179.25 3fhq h ASN 48 N 0.00 0.00 -3.68 0.00 -1.24 -1.93 -3.46 115.58 105.27 3fhq h ASN 48 Ca -0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 3fhq h ASN 48 Cb 0.58 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.65 3fhq h ASN 48 CO 0.04 0.00 0.51 0.00 -1.29 0.00 0.00 177.43 176.69 3fhq s ALA 49 N -3.20 3.41 0.36 1.57 0.00 -0.92 -4.77 121.76 118.21 3fhq s ALA 49 Ca 0.08 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3fhq s ALA 49 Cb 0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3fhq s ALA 49 CO 0.63 -0.25 0.23 0.16 0.00 0.00 0.00 175.76 176.52 3fhq s ASP 50 N -0.44 4.89 0.00 0.00 -4.77 -0.97 -4.86 116.67 110.52 3fhq s ASP 50 Ca 0.48 -0.72 0.20 0.00 -3.30 0.00 0.00 52.55 49.22 3fhq s ASP 50 Cb -0.32 -0.75 0.16 0.00 -1.09 0.00 0.00 42.92 40.92 3fhq s ASP 50 CO 0.39 -0.39 1.15 2.29 0.70 0.00 0.00 175.17 179.31 3fhq n LYS 51 N -1.28 1.84 -0.10 2.11 2.85 -1.26 -4.29 118.16 118.02 3fhq n LYS 51 Ca -0.02 -1.71 -0.17 0.00 -1.05 0.00 0.00 58.31 55.37 3fhq n LYS 51 Cb 0.61 -1.39 -0.08 0.00 -0.65 0.00 0.00 35.03 33.52 3fhq n LYS 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fhq n ASP 52 N 1.13 1.85 -4.75 -5.58 8.00 -1.26 -4.94 116.55 111.00 3fhq n ASP 52 Ca 0.12 0.48 -0.41 0.00 0.71 0.00 0.00 54.79 55.69 3fhq n ASP 52 Cb 0.51 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 3fhq n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fhq s ALA 53 N -2.50 3.57 0.52 2.24 0.00 -1.26 -4.93 121.76 119.40 3fhq s ALA 53 Ca -0.25 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3fhq s ALA 53 Cb 0.05 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3fhq s ALA 53 CO 0.46 -0.68 0.64 -1.01 0.00 0.00 0.00 175.76 175.18 3fhq s HIS 54 N -0.36 1.86 -0.07 0.00 3.76 -1.26 -4.94 115.29 114.28 3fhq s HIS 54 Ca 0.55 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 3fhq s HIS 54 Cb -0.40 -2.19 0.04 0.00 1.11 0.00 0.00 32.58 31.14 3fhq s HIS 54 CO 0.46 -0.79 0.15 -1.17 -0.85 0.00 0.00 174.74 172.53 3fhq s LEU 55 N -4.48 0.28 -0.06 0.89 0.20 -1.26 -0.13 118.68 114.12 3fhq s LEU 55 Ca 0.55 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.68 3fhq s LEU 55 Cb -0.06 0.28 -0.03 0.00 -0.43 0.00 0.00 46.19 45.96 3fhq s LEU 55 CO 0.34 -0.20 -0.07 0.68 -0.29 0.00 0.00 176.35 176.80 3fhq s VAL 56 N 1.80 3.68 -0.19 1.68 -7.23 -0.40 -1.33 120.40 118.42 3fhq s VAL 56 Ca -0.02 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.59 3fhq s VAL 56 Cb -0.12 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 3fhq s VAL 56 CO -0.06 0.58 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.74 3fhq s SER 57 N -0.87 4.72 -0.55 4.85 0.15 -0.30 -1.00 113.70 120.71 3fhq s SER 57 Ca 0.13 -0.21 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 3fhq s SER 57 Cb -0.11 -1.80 0.13 0.00 -1.71 0.00 0.00 66.02 62.53 3fhq s SER 57 CO 0.02 0.08 0.53 -0.76 1.20 0.00 0.00 173.24 174.31 3fhq s LEU 58 N 0.88 6.07 -0.11 3.45 1.02 -0.14 0.46 118.68 130.32 3fhq s LEU 58 Ca 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 54.13 52.45 3fhq s LEU 58 Cb -0.14 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.85 3fhq s LEU 58 CO 0.02 -0.89 -0.21 -0.44 0.02 0.00 0.00 176.35 174.85 3fhq s SER 59 N 3.59 2.81 -1.00 2.29 0.01 -0.50 -0.01 113.70 120.90 3fhq s SER 59 Ca 0.04 -0.51 -0.17 0.00 1.31 0.00 0.00 55.95 56.62 3fhq s SER 59 Cb -0.29 -1.29 -0.09 0.00 0.21 0.00 0.00 66.02 64.56 3fhq s SER 59 CO 0.04 0.10 2.07 0.00 0.41 0.00 0.00 173.24 175.86 3fhq n ALA 60 N 3.80 4.25 0.33 1.44 0.00 -1.26 -0.69 120.51 128.38 3fhq n ALA 60 Ca -0.20 -3.27 0.15 0.00 0.00 0.00 0.00 53.44 50.12 3fhq n ALA 60 Cb 0.52 -3.51 0.81 0.00 0.00 0.00 0.00 19.45 17.27 3fhq n ALA 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fhq h LEU 61 N 11.78 0.00 -8.03 0.00 3.38 -1.92 -3.33 115.31 117.19 3fhq h LEU 61 Ca 0.49 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.91 3fhq h LEU 61 Cb 0.57 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.98 3fhq h LEU 61 CO 1.86 0.00 -0.83 0.20 0.09 0.00 0.00 178.44 179.77 3fhq s ASN 62 N -4.41 2.05 0.27 -0.43 0.01 -1.26 -4.42 114.94 106.75 3fhq s ASN 62 Ca -0.03 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 51.74 3fhq s ASN 62 Cb 0.09 -0.94 0.41 0.00 0.41 0.00 0.00 41.25 41.22 3fhq s ASN 62 CO 0.27 0.05 1.89 -0.09 -1.51 0.00 0.00 177.10 177.71 3fhq h ARG 63 N 7.01 1.14 -6.49 -0.60 2.43 -1.95 -3.43 114.38 112.49 3fhq h ARG 63 Ca -0.29 -0.07 -0.65 0.00 -0.81 0.00 0.00 59.98 58.17 3fhq h ARG 63 Cb 1.19 -0.26 -0.14 0.00 -0.42 0.00 0.00 29.97 30.34 3fhq h ARG 63 CO 0.47 0.76 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.96 3fhq s HIS 64 N -6.02 2.74 0.04 2.20 3.76 -1.26 -5.04 115.29 111.71 3fhq s HIS 64 Ca -0.12 -0.16 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 3fhq s HIS 64 Cb 0.20 -1.40 -0.14 0.00 1.11 0.00 0.00 32.58 32.35 3fhq s HIS 64 CO 0.81 0.46 1.33 1.15 -0.85 0.00 0.00 174.74 177.64 3fhq h THR 65 N 2.99 1.35 -1.70 1.30 2.02 -1.94 -3.45 112.91 113.49 3fhq h THR 65 Ca -0.48 -1.41 -0.44 0.00 0.77 0.00 0.00 66.41 64.85 3fhq h THR 65 Cb 1.18 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3fhq h THR 65 CO 0.54 0.42 -0.33 -0.94 0.37 0.00 0.00 175.52 175.58 3fhq s SER 66 N -6.24 5.81 -0.19 4.18 1.04 -1.26 -4.53 113.70 112.50 3fhq s SER 66 Ca -0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3fhq s SER 66 Cb 0.05 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.13 3fhq s SER 66 CO 0.77 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 175.08 3fhq n GLY 67 N -1.67 0.48 3.59 7.32 0.00 -1.26 -4.99 105.19 108.66 3fhq n GLY 67 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3fhq n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhq s VAL 68 N -1.80 4.71 0.38 1.61 1.01 -1.26 -5.00 120.40 120.05 3fhq s VAL 68 Ca 0.00 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 3fhq s VAL 68 Cb 0.00 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 3fhq s VAL 68 CO 0.00 -0.43 1.50 -2.84 0.00 0.00 0.00 175.10 173.32 3fhq s PRO 69 N 3.15 4.07 0.25 2.72 0.02 -1.26 -0.13 135.00 143.82 3fhq s PRO 69 Ca 0.33 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.91 3fhq s PRO 69 Cb -0.13 -2.94 0.44 0.00 0.02 0.00 0.00 34.50 31.89 3fhq s PRO 69 CO 0.17 -0.58 1.80 0.77 -0.33 0.00 0.00 177.00 178.83 3fhq h SER 70 N 2.93 0.67 -0.42 2.53 0.02 -1.55 -3.34 113.55 114.40 3fhq h SER 70 Ca -0.51 0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 60.19 3fhq h SER 70 Cb 1.24 -0.07 -0.34 0.00 0.14 0.00 0.00 62.40 63.37 3fhq h SER 70 CO 0.64 0.36 -0.88 0.00 -1.14 0.00 0.00 176.83 175.81 3fhq n GLN 71 N -4.75 2.20 0.00 3.45 6.02 -1.26 -4.10 117.38 118.94 3fhq n GLN 71 Ca 0.15 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.61 3fhq n GLN 71 Cb 0.32 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3fhq n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fhq n GLY 72 N -0.59 1.63 3.42 1.08 0.00 -1.25 -4.84 105.19 104.64 3fhq n GLY 72 Ca 0.23 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 3fhq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 73 N -2.03 -1.48 -1.16 4.61 0.00 -0.84 -4.74 121.76 116.12 3fhq s ALA 73 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 3fhq s ALA 73 Cb 0.00 0.86 -0.11 0.00 0.00 0.00 0.00 23.12 23.87 3fhq s ALA 73 CO 0.00 -0.76 2.86 -2.30 0.00 0.00 0.00 175.76 175.57 3fhq n PRO 74 N -0.36 3.00 -3.77 0.00 -0.02 -1.26 -0.34 135.00 132.24 3fhq n PRO 74 Ca -0.16 -1.79 -0.20 0.00 -2.02 0.00 0.00 63.50 59.33 3fhq n PRO 74 Cb 0.65 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 3fhq n PRO 74 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fhq s VAL 75 N 2.22 0.13 -0.06 -1.45 1.01 -1.25 -4.62 120.40 116.39 3fhq s VAL 75 Ca 0.62 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 3fhq s VAL 75 Cb 0.19 -0.31 -0.21 0.00 0.00 0.00 0.00 36.38 36.04 3fhq s VAL 75 CO -0.04 0.20 1.08 0.15 0.00 0.00 0.00 175.10 176.48 3fhq h PHE 76 N 8.07 -0.03 -0.93 5.22 3.57 -1.78 -2.87 116.94 128.19 3fhq h PHE 76 Ca -0.23 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.77 3fhq h PHE 76 Cb 1.13 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 3fhq h PHE 76 CO 0.49 0.58 1.32 -0.47 -2.23 0.00 0.00 178.31 177.99 3fhq s TYR 77 N -3.60 2.30 0.09 0.41 5.04 -1.26 -4.59 117.35 115.75 3fhq s TYR 77 Ca -0.16 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 3fhq s TYR 77 Cb 0.00 -4.47 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 3fhq s TYR 77 CO 0.65 -1.82 -0.09 -2.00 -1.34 0.00 0.00 175.55 170.95 3fhq s GLU 78 N 5.60 0.81 -0.86 4.97 2.56 -1.26 -5.08 118.70 125.44 3fhq s GLU 78 Ca 0.55 -1.16 -0.25 0.00 0.00 0.00 0.00 54.97 54.12 3fhq s GLU 78 Cb -0.02 -0.42 -0.03 0.00 2.00 0.00 0.00 34.13 35.66 3fhq s GLU 78 CO -0.04 0.05 1.88 1.21 -0.56 0.00 0.00 175.26 177.80 3fhq s ASN 79 N -2.50 5.29 -0.71 -1.70 3.84 -1.26 -4.84 114.94 113.06 3fhq s ASN 79 Ca 0.05 -0.57 -0.02 0.00 0.21 0.00 0.00 52.86 52.53 3fhq s ASN 79 Cb -0.02 -2.56 0.29 0.00 -0.55 0.00 0.00 41.25 38.42 3fhq s ASN 79 CO -0.01 -2.57 2.20 1.07 -2.79 0.00 0.00 177.10 175.00 3fhq n THR 80 N 7.66 3.50 -1.51 -5.21 5.66 -1.26 -4.94 114.28 118.18 3fhq n THR 80 Ca 0.36 -3.69 -0.57 0.00 -3.05 0.00 0.00 64.05 57.09 3fhq n THR 80 Cb 0.48 -1.31 -0.08 0.00 -1.55 0.00 0.00 70.33 67.87 3fhq n THR 80 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3fhq n PHE 81 N -0.23 0.77 -0.57 1.09 7.35 -1.26 -4.88 117.46 119.72 3fhq n PHE 81 Ca 0.53 0.98 0.01 0.00 -0.76 0.00 0.00 57.45 58.22 3fhq n PHE 81 Cb 0.38 -2.13 0.02 0.00 0.35 0.00 0.00 39.48 38.10 3fhq n PHE 81 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3fhq n SER 82 N 1.69 1.31 -2.07 -2.13 3.41 -1.26 -4.74 113.62 109.82 3fhq n SER 82 Ca 0.20 -1.84 -0.26 0.00 -0.26 0.00 0.00 58.87 56.70 3fhq n SER 82 Cb 0.10 -0.07 0.11 0.00 -0.26 0.00 0.00 64.21 64.09 3fhq n SER 82 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fhq n TYR 83 N -0.44 2.78 0.06 7.33 4.02 -1.26 -4.61 117.16 125.03 3fhq n TYR 83 Ca 0.02 -2.44 0.19 0.00 -0.01 0.00 0.00 57.90 55.66 3fhq n TYR 83 Cb 0.41 -1.00 0.72 0.00 -0.02 0.00 0.00 39.34 39.45 3fhq n TYR 83 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3fhq h TRP 84 N 1.70 0.00 0.00 -0.72 4.06 -1.93 -2.28 115.95 116.78 3fhq h TRP 84 Ca 0.51 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.44 3fhq h TRP 84 Cb 1.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.62 3fhq h TRP 84 CO 1.29 0.00 -0.09 1.12 -3.56 0.00 0.00 178.44 177.20 3fhq h HIS 85 N 0.00 0.00 -0.54 0.49 2.07 -1.82 -1.02 115.15 114.34 3fhq h HIS 85 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 3fhq h HIS 85 Cb 0.90 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.88 3fhq h HIS 85 CO 0.00 0.09 0.00 0.66 -3.07 0.00 0.00 177.93 175.61 3fhq n TYR 86 N -3.61 0.71 -4.51 6.12 4.01 -0.86 -0.98 117.16 118.05 3fhq n TYR 86 Ca -0.02 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.90 57.03 3fhq n TYR 86 Cb 0.21 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.11 3fhq n TYR 86 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3fhq s THR 87 N -1.29 3.68 -0.13 -0.72 2.01 -0.39 -4.75 115.64 114.05 3fhq s THR 87 Ca 0.42 -0.44 0.19 0.00 0.31 0.00 0.00 61.69 62.17 3fhq s THR 87 Cb 0.23 -2.59 -0.21 0.00 0.01 0.00 0.00 72.50 69.94 3fhq s THR 87 CO 0.31 0.51 0.55 0.47 -0.69 0.00 0.00 174.62 175.77 3fhq n ASP 88 N 3.42 0.42 -3.70 3.53 8.00 -0.44 -4.87 116.55 122.91 3fhq n ASP 88 Ca -0.18 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3fhq n ASP 88 Cb 0.53 0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 42.37 3fhq n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fhq s LEU 89 N -5.37 -0.03 -0.13 0.64 2.96 -1.07 -4.13 118.68 111.56 3fhq s LEU 89 Ca -0.06 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 3fhq s LEU 89 Cb 0.09 1.41 -0.01 0.00 0.50 0.00 0.00 46.19 48.18 3fhq s LEU 89 CO 0.84 -0.19 -0.14 -0.32 -1.32 0.00 0.00 176.35 175.22 3fhq s MET 90 N 1.16 3.35 -0.20 1.98 -2.45 -0.66 -1.15 119.30 121.34 3fhq s MET 90 Ca -0.08 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 3fhq s MET 90 Cb -0.07 -2.60 -0.00 0.00 1.25 0.00 0.00 34.83 33.41 3fhq s MET 90 CO -0.10 0.21 -0.08 0.08 1.05 0.00 0.00 175.02 176.17 3fhq s VAL 91 N 0.35 3.08 -0.45 10.11 1.01 0.17 0.00 120.40 134.67 3fhq s VAL 91 Ca -0.12 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3fhq s VAL 91 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3fhq s VAL 91 CO 0.06 0.46 1.67 -0.47 0.00 0.00 0.00 175.10 176.82 3fhq s TYR 92 N 1.28 1.97 -0.27 5.22 6.14 0.16 -1.41 117.35 130.43 3fhq s TYR 92 Ca 0.03 0.65 -0.27 0.00 0.64 0.00 0.00 57.07 58.13 3fhq s TYR 92 Cb -0.14 -4.20 0.01 0.00 0.42 0.00 0.00 41.96 38.05 3fhq s TYR 92 CO -0.04 -2.44 0.94 -0.46 0.64 0.00 0.00 175.55 174.18 3fhq s TRP 93 N 6.99 3.25 0.21 4.97 -0.11 0.13 -4.06 118.94 130.32 3fhq s TRP 93 Ca 0.69 1.16 -0.22 0.00 1.22 0.00 0.00 56.10 58.95 3fhq s TRP 93 Cb -0.16 -3.31 0.07 0.00 -1.50 0.00 0.00 33.47 28.57 3fhq s TRP 93 CO 0.29 -0.55 1.00 0.00 -4.62 0.00 0.00 176.95 173.07 3fhq s ALA 94 N 3.17 -1.49 0.00 5.86 0.00 -1.26 -4.27 121.76 123.77 3fhq s ALA 94 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3fhq s ALA 94 Cb -0.14 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3fhq s ALA 94 CO 0.10 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3fhq n GLY 95 N -0.65 2.97 3.42 0.00 0.00 -1.26 -4.66 105.19 105.00 3fhq n GLY 95 Ca -0.04 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 3fhq n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 96 N 0.00 -0.51 0.38 1.61 1.04 0.37 -4.95 113.70 111.63 3fhq s SER 96 Ca 0.00 0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.73 3fhq s SER 96 Cb 0.00 0.53 0.82 0.00 0.10 0.00 0.00 66.02 67.47 3fhq s SER 96 CO 0.00 -0.77 1.96 0.00 0.98 0.00 0.00 173.24 175.41 3fhq h ALA 97 N 2.60 1.79 0.00 5.32 0.00 -1.84 -0.42 119.26 126.71 3fhq h ALA 97 Ca -0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fhq h ALA 97 Cb 1.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fhq h ALA 97 CO 0.40 0.09 -0.11 0.78 0.00 0.00 0.00 179.25 180.40 3fhq h GLY 98 N 0.66 0.00 0.00 0.00 0.00 -1.93 -3.40 103.07 98.40 3fhq h GLY 98 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3fhq h GLY 98 CO -0.10 0.00 -1.04 1.18 0.00 0.00 0.00 176.54 176.57 3fhq n GLU 99 N -3.05 3.73 0.00 4.80 1.02 -1.00 -5.12 120.64 121.01 3fhq n GLU 99 Ca 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3fhq n GLU 99 Cb 0.53 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3fhq n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 100 N 2.94 4.82 0.15 0.62 0.00 -0.20 -4.71 105.19 108.81 3fhq n GLY 100 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.14 3fhq n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fhq n ILE 101 N -1.87 0.00 -3.98 -0.61 -5.35 -0.88 -0.48 119.36 106.18 3fhq n ILE 101 Ca 0.00 -0.44 -0.34 0.00 -0.27 0.00 0.00 62.75 61.70 3fhq n ILE 101 Cb 0.00 1.08 -0.15 0.00 -1.74 0.00 0.00 39.64 38.83 3fhq n ILE 101 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fhq s ILE 102 N -0.97 2.78 -0.05 7.28 1.01 -0.70 0.10 121.20 130.66 3fhq s ILE 102 Ca 0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3fhq s ILE 102 Cb 0.05 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3fhq s ILE 102 CO 0.15 0.25 0.08 0.54 0.00 0.00 0.00 174.94 175.96 3fhq s VAL 103 N 1.32 -0.15 0.68 2.92 0.11 0.11 -1.02 120.40 124.36 3fhq s VAL 103 Ca 0.01 0.41 -0.11 0.00 -2.93 0.00 0.00 61.98 59.35 3fhq s VAL 103 Cb -0.16 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 3fhq s VAL 103 CO -0.05 0.17 1.06 -2.16 -3.33 0.00 0.00 175.10 170.78 3fhq s PRO 104 N 2.17 3.09 0.34 1.54 0.05 -1.26 -0.44 135.00 140.49 3fhq s PRO 104 Ca 0.04 0.74 -0.27 0.00 0.05 0.00 0.00 61.00 61.56 3fhq s PRO 104 Cb -0.12 -2.02 -0.09 0.00 0.05 0.00 0.00 34.50 32.31 3fhq s PRO 104 CO -0.04 -0.93 1.11 -2.14 0.05 0.00 0.00 177.00 175.05 3fhq s PRO 105 N -5.17 4.39 0.69 0.56 0.02 -1.26 -4.87 135.00 129.36 3fhq s PRO 105 Ca 0.57 1.75 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 3fhq s PRO 105 Cb -0.12 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.50 3fhq s PRO 105 CO 0.54 0.01 1.19 -1.54 -0.33 0.00 0.00 177.00 176.87 3fhq s SER 106 N -1.09 4.53 0.54 2.53 1.04 -1.26 -4.75 113.70 115.24 3fhq s SER 106 Ca 0.50 2.32 0.22 0.00 0.48 0.00 0.00 55.95 59.47 3fhq s SER 106 Cb -0.29 -2.59 1.41 0.00 0.10 0.00 0.00 66.02 64.65 3fhq s SER 106 CO 0.37 -2.03 2.08 0.00 0.98 0.00 0.00 173.24 174.64 3fhq h ALA 107 N -0.00 2.15 -0.17 5.32 0.00 -1.73 -1.69 119.26 123.13 3fhq h ALA 107 Ca -0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3fhq h ALA 107 Cb 1.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fhq h ALA 107 CO 0.51 -0.32 -0.47 0.38 0.00 0.00 0.00 179.25 179.36 3fhq h ASP 108 N 0.00 0.48 0.23 0.00 2.03 -1.92 -2.23 116.42 115.02 3fhq h ASP 108 Ca 0.12 -0.23 -0.35 0.00 -0.73 0.00 0.00 57.03 55.84 3fhq h ASP 108 Cb 0.50 -0.14 0.02 0.00 -0.83 0.00 0.00 39.33 38.87 3fhq h ASP 108 CO -0.00 0.88 -1.67 0.58 -1.03 0.00 0.00 179.24 178.00 3fhq h VAL 109 N 0.36 1.03 -0.58 4.15 2.07 -1.67 -2.46 116.25 119.15 3fhq h VAL 109 Ca 0.02 -2.58 0.11 0.00 0.82 0.00 0.00 66.70 65.07 3fhq h VAL 109 Cb 0.96 2.83 -0.09 0.00 -1.52 0.00 0.00 31.29 33.48 3fhq h VAL 109 CO 0.08 0.85 0.09 0.40 0.02 0.00 0.00 177.57 179.01 3fhq h ILE 110 N 0.11 0.62 0.17 4.57 2.04 -1.39 -1.02 117.51 122.62 3fhq h ILE 110 Ca -0.32 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fhq h ILE 110 Cb 2.11 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3fhq h ILE 110 CO 0.20 0.04 -0.10 0.44 0.00 0.00 0.00 178.15 178.73 3fhq h ASP 111 N 0.22 -0.24 -0.16 1.72 3.32 -1.39 0.17 116.42 120.06 3fhq h ASP 111 Ca 0.30 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.40 3fhq h ASP 111 Cb 0.46 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3fhq h ASP 111 CO -0.42 -0.16 -0.03 0.00 -1.72 0.00 0.00 179.24 176.91 3fhq h ALA 112 N 0.57 0.11 -0.28 3.45 0.00 -1.25 -0.30 119.26 121.56 3fhq h ALA 112 Ca -0.02 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3fhq h ALA 112 Cb 0.21 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3fhq h ALA 112 CO 0.02 -0.47 -0.05 1.03 0.00 0.00 0.00 179.25 179.78 3fhq h SER 113 N 0.01 -0.22 -0.71 0.00 0.87 -1.03 -2.92 113.55 109.55 3fhq h SER 113 Ca 0.08 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3fhq h SER 113 Cb 0.11 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3fhq h SER 113 CO -0.16 -0.07 0.21 0.45 -0.53 0.00 0.00 176.83 176.72 3fhq h HIS 114 N 0.02 1.17 -0.52 2.24 -0.00 0.13 -1.27 115.15 116.93 3fhq h HIS 114 Ca 0.13 -0.12 0.12 0.00 -0.00 0.00 0.00 60.37 60.50 3fhq h HIS 114 Cb 0.20 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 3fhq h HIS 114 CO -0.25 0.93 0.36 0.00 -0.00 0.00 0.00 177.93 178.97 3fhq h ARG 115 N 1.08 0.16 -0.63 2.45 3.08 -0.88 0.31 114.38 119.93 3fhq h ARG 115 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3fhq h ARG 115 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3fhq h ARG 115 CO -0.00 0.10 0.00 0.09 -1.07 0.00 0.00 179.97 179.09 3fhq n ASN 116 N -4.43 3.99 -1.48 7.04 3.02 -0.80 -4.78 115.26 117.81 3fhq n ASN 116 Ca 0.09 -2.31 -0.15 0.00 -0.03 0.00 0.00 54.58 52.18 3fhq n ASN 116 Cb 0.48 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3fhq n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhq n GLY 117 N 1.10 0.45 3.61 7.41 0.00 0.97 -4.75 105.19 113.98 3fhq n GLY 117 Ca 0.22 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3fhq n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhq s VAL 118 N -2.67 5.14 0.24 1.61 1.01 -0.54 -4.84 120.40 120.35 3fhq s VAL 118 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3fhq s VAL 118 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 3fhq s VAL 118 CO 0.00 0.33 1.28 -2.84 0.00 0.00 0.00 175.10 173.87 3fhq s PRO 119 N 1.22 4.42 -0.08 2.72 0.02 -1.26 -3.90 135.00 138.14 3fhq s PRO 119 Ca 0.07 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.18 3fhq s PRO 119 Cb -0.14 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 3fhq s PRO 119 CO 0.05 -0.17 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.84 3fhq s ILE 120 N -0.36 2.36 -0.01 2.83 2.07 -1.26 -1.65 121.20 125.18 3fhq s ILE 120 Ca 0.53 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 3fhq s ILE 120 Cb -0.36 -1.91 -0.04 0.00 0.13 0.00 0.00 42.46 40.28 3fhq s ILE 120 CO 0.42 0.56 0.05 -0.76 -1.91 0.00 0.00 174.94 173.30 3fhq s LEU 121 N 0.02 3.74 0.81 8.50 1.43 0.10 -1.45 118.68 131.82 3fhq s LEU 121 Ca -0.08 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3fhq s LEU 121 Cb -0.15 -2.13 0.12 0.00 0.03 0.00 0.00 46.19 44.06 3fhq s LEU 121 CO 0.05 0.29 1.13 -0.83 0.23 0.00 0.00 176.35 177.22 3fhq s GLY 122 N -1.58 1.72 -0.06 -3.19 0.00 -0.75 -0.67 107.32 102.80 3fhq s GLY 122 Ca 0.21 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3fhq s GLY 122 CO 0.11 -0.57 -0.24 0.21 0.00 0.00 0.00 173.10 172.61 3fhq s ASN 123 N -4.69 3.00 -0.36 1.64 2.47 0.42 -0.29 114.94 117.13 3fhq s ASN 123 Ca 0.66 -0.51 -0.02 0.00 0.42 0.00 0.00 52.86 53.42 3fhq s ASN 123 Cb -0.07 -0.88 0.09 0.00 -1.45 0.00 0.00 41.25 38.93 3fhq s ASN 123 CO 0.48 0.23 0.11 -0.69 -3.72 0.00 0.00 177.10 173.51 3fhq s VAL 124 N -0.10 3.10 -0.52 -5.21 1.01 -0.25 0.04 120.40 118.46 3fhq s VAL 124 Ca -0.05 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 3fhq s VAL 124 Cb -0.14 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.37 3fhq s VAL 124 CO 0.04 -0.46 0.36 0.12 0.00 0.00 0.00 175.10 175.16 3fhq s PHE 125 N 1.16 3.50 -0.68 5.22 5.36 0.29 -1.10 117.98 131.73 3fhq s PHE 125 Ca 0.04 -2.29 -0.24 0.00 -0.96 0.00 0.00 56.93 53.47 3fhq s PHE 125 Cb -0.21 -3.35 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 3fhq s PHE 125 CO -0.03 -0.94 1.05 -0.06 -1.46 0.00 0.00 175.22 173.77 3fhq s PHE 126 N 0.79 2.57 0.47 10.12 0.08 0.53 -4.70 117.98 127.85 3fhq s PHE 126 Ca 0.11 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.53 3fhq s PHE 126 Cb -0.22 -4.39 -0.09 0.00 -0.57 0.00 0.00 43.02 37.76 3fhq s PHE 126 CO -0.03 -1.77 1.04 -2.14 -0.10 0.00 0.00 175.22 172.22 3fhq s PRO 127 N 4.51 3.86 0.50 0.24 0.02 -1.26 -1.02 135.00 141.86 3fhq s PRO 127 Ca 0.26 1.37 -0.21 0.00 0.02 0.00 0.00 61.00 62.43 3fhq s PRO 127 Cb -0.14 -2.15 -0.08 0.00 0.02 0.00 0.00 34.50 32.15 3fhq s PRO 127 CO 0.11 -0.38 0.93 -2.30 -0.33 0.00 0.00 177.00 175.04 3fhq n PRO 128 N -0.85 1.09 0.08 5.54 -0.02 -1.24 -3.69 135.00 135.91 3fhq n PRO 128 Ca 0.09 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 3fhq n PRO 128 Cb 0.52 -2.05 0.67 0.00 -0.02 0.00 0.00 33.50 32.62 3fhq n PRO 128 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fhq h THR 129 N 1.01 0.82 0.00 3.45 1.35 -1.79 0.64 112.91 118.40 3fhq h THR 129 Ca -0.46 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3fhq h THR 129 Cb 1.35 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3fhq h THR 129 CO 0.53 0.00 0.00 0.58 -0.25 0.00 0.00 175.52 176.39 3fhq h VAL 130 N 0.02 0.00 -0.27 6.82 2.07 -1.90 -0.56 116.25 122.43 3fhq h VAL 130 Ca 0.18 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3fhq h VAL 130 Cb 0.68 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3fhq h VAL 130 CO -0.01 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.36 3fhq n TYR 131 N -2.94 0.94 -0.41 1.57 4.01 0.16 -4.92 117.16 115.57 3fhq n TYR 131 Ca -0.02 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 3fhq n TYR 131 Cb 0.13 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3fhq n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fhq n GLY 132 N -0.44 0.76 3.55 2.72 0.00 -0.22 -4.33 105.19 107.24 3fhq n GLY 132 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3fhq n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 133 N -2.25 -0.81 2.72 -0.02 0.00 -0.85 -4.81 105.19 99.18 3fhq n GLY 133 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3fhq n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fhq s GLN 134 N -2.40 0.29 0.35 1.61 -1.52 -1.26 -4.49 119.66 112.25 3fhq s GLN 134 Ca 0.72 0.20 0.13 0.00 -1.95 0.00 0.00 55.36 54.46 3fhq s GLN 134 Cb -0.44 -0.83 0.98 0.00 -0.22 0.00 0.00 33.01 32.49 3fhq s GLN 134 CO 0.51 -0.34 1.75 -0.07 -0.25 0.00 0.00 175.29 176.89 3fhq h LEU 135 N 8.38 0.58 -0.52 2.90 3.38 -1.94 -2.03 115.31 126.05 3fhq h LEU 135 Ca -0.16 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.02 3fhq h LEU 135 Cb 1.12 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 3fhq h LEU 135 CO 0.22 0.11 -0.30 -0.08 0.09 0.00 0.00 178.44 178.47 3fhq h GLU 136 N 0.51 -0.17 -0.82 1.13 4.81 -1.98 0.91 114.58 118.98 3fhq h GLU 136 Ca 0.62 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.00 3fhq h GLU 136 Cb 1.34 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.67 3fhq h GLU 136 CO -0.39 -0.11 0.41 -1.49 -0.73 0.00 0.00 179.01 176.70 3fhq h TRP 137 N -0.17 0.72 -0.43 0.92 6.55 -1.80 0.43 115.95 122.17 3fhq h TRP 137 Ca 0.22 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 60.04 3fhq h TRP 137 Cb 0.53 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 3fhq h TRP 137 CO -0.58 0.18 0.04 1.25 -1.05 0.00 0.00 178.44 178.28 3fhq h LEU 138 N 0.61 0.70 -0.69 -4.49 5.85 -0.95 -1.38 115.31 114.95 3fhq h LEU 138 Ca 0.44 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3fhq h LEU 138 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3fhq h LEU 138 CO -0.35 0.81 0.27 -0.33 -0.34 0.00 0.00 178.44 178.50 3fhq h GLU 139 N 0.57 1.03 -0.30 1.25 4.39 0.39 -1.65 114.58 120.26 3fhq h GLU 139 Ca 0.13 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.67 3fhq h GLU 139 Cb 0.42 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3fhq h GLU 139 CO 0.01 0.86 0.09 1.96 -1.16 0.00 0.00 179.01 180.78 3fhq h GLN 140 N 0.98 0.21 -0.03 2.33 4.20 0.09 -1.48 115.11 121.41 3fhq h GLN 140 Ca 0.23 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3fhq h GLN 140 Cb 0.22 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3fhq h GLN 140 CO -0.02 0.14 -0.06 0.52 -0.67 0.00 0.00 178.83 178.74 3fhq h MET 141 N 0.22 0.04 -0.33 1.46 2.86 -0.86 -2.74 114.93 115.57 3fhq h MET 141 Ca 0.14 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3fhq h MET 141 Cb 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3fhq h MET 141 CO -0.15 0.11 0.00 1.28 1.06 0.00 0.00 176.91 179.20 3fhq n LEU 142 N -4.44 2.33 -4.77 1.22 4.77 -0.60 -4.57 117.00 110.94 3fhq n LEU 142 Ca -0.02 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.48 3fhq n LEU 142 Cb 0.16 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3fhq n LEU 142 CO 0.35 0.53 1.11 -0.62 -1.33 0.00 0.00 177.39 177.44 3fhq n GLU 143 N 0.76 2.49 -4.38 3.23 1.02 -0.93 -4.99 120.64 117.84 3fhq n GLU 143 Ca 0.16 0.88 -0.21 0.00 -0.02 0.00 0.00 57.16 57.97 3fhq n GLU 143 Cb 0.41 -2.66 -0.16 0.00 -0.02 0.00 0.00 31.44 29.00 3fhq n GLU 143 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3fhq s GLN 144 N -2.28 1.07 0.77 3.49 0.74 -1.26 -4.07 119.66 118.12 3fhq s GLN 144 Ca 0.57 -0.28 -0.11 0.00 0.05 0.00 0.00 55.36 55.59 3fhq s GLN 144 Cb -0.46 -0.98 0.07 0.00 1.10 0.00 0.00 33.01 32.74 3fhq s GLN 144 CO 0.61 0.06 1.13 -1.21 -0.55 0.00 0.00 175.29 175.33 3fhq s GLU 145 N 0.42 2.15 0.28 1.67 0.41 -0.46 -4.90 118.70 118.28 3fhq s GLU 145 Ca -0.07 0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.58 3fhq s GLU 145 Cb -0.11 -2.01 0.47 0.00 -1.78 0.00 0.00 34.13 30.70 3fhq s GLU 145 CO 0.01 -1.44 1.88 0.93 -0.49 0.00 0.00 175.26 176.15 3fhq h GLU 146 N -0.90 1.07 -1.47 1.61 5.08 -2.01 0.93 114.58 118.89 3fhq h GLU 146 Ca -0.46 -0.06 0.49 0.00 -1.00 0.00 0.00 59.36 58.33 3fhq h GLU 146 Cb 1.32 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 3fhq h GLU 146 CO 0.65 0.71 0.97 -3.47 -1.00 0.00 0.00 179.01 176.87 3fhq n ASP 147 N -4.53 0.17 0.00 1.42 -0.08 -1.26 -4.82 116.55 107.45 3fhq n ASP 147 Ca 0.16 1.29 0.00 0.00 -1.51 0.00 0.00 54.79 54.73 3fhq n ASP 147 Cb 0.23 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.06 3fhq n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fhq n GLY 148 N -1.58 3.36 3.76 0.27 0.00 0.32 -5.06 105.19 106.26 3fhq n GLY 148 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3fhq n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 149 N -0.54 4.64 -0.34 1.61 1.04 -1.26 -4.66 113.70 114.19 3fhq s SER 149 Ca 0.00 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.35 3fhq s SER 149 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.63 3fhq s SER 149 CO 0.00 -1.95 0.08 -0.36 0.98 0.00 0.00 173.24 172.00 3fhq s PHE 150 N -2.57 3.30 0.28 5.02 0.08 -1.26 -1.35 117.98 121.47 3fhq s PHE 150 Ca 0.65 -1.71 0.00 0.00 0.12 0.00 0.00 56.93 55.99 3fhq s PHE 150 Cb -0.20 -2.35 0.52 0.00 -0.57 0.00 0.00 43.02 40.42 3fhq s PHE 150 CO 0.49 -0.79 1.84 -1.35 -0.10 0.00 0.00 175.22 175.31 3fhq h PRO 151 N 8.12 0.97 0.00 0.24 0.11 -1.90 -1.37 132.00 138.17 3fhq h PRO 151 Ca -0.21 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3fhq h PRO 151 Cb 1.07 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3fhq h PRO 151 CO 0.59 0.64 -0.55 -0.07 -0.21 0.00 0.00 178.00 178.40 3fhq h LEU 152 N 1.00 0.00 -0.94 2.35 4.07 -1.85 -1.51 115.31 118.44 3fhq h LEU 152 Ca 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.39 3fhq h LEU 152 Cb 0.43 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 3fhq h LEU 152 CO -0.25 0.55 0.23 0.00 -1.08 0.00 0.00 178.44 177.89 3fhq h ALA 153 N 1.45 1.15 -0.76 1.53 0.00 -1.53 -1.49 119.26 119.60 3fhq h ALA 153 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3fhq h ALA 153 Cb 1.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3fhq h ALA 153 CO 0.07 0.60 0.32 -0.44 0.00 0.00 0.00 179.25 179.80 3fhq h ASP 154 N 0.97 1.03 0.09 0.00 3.32 -0.59 -1.39 116.42 119.85 3fhq h ASP 154 Ca 0.22 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3fhq h ASP 154 Cb 0.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3fhq h ASP 154 CO -0.01 0.90 -0.24 0.11 -1.72 0.00 0.00 179.24 178.28 3fhq h LYS 155 N 1.10 0.26 -0.26 3.56 1.79 -0.91 0.08 116.57 122.19 3fhq h LYS 155 Ca 0.26 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 3fhq h LYS 155 Cb 0.18 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3fhq h LYS 155 CO -0.02 0.50 0.02 -0.07 -1.08 0.00 0.00 179.45 178.79 3fhq h LEU 156 N 0.24 0.44 -0.62 2.94 3.38 -0.23 -0.29 115.31 121.17 3fhq h LEU 156 Ca 0.04 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3fhq h LEU 156 Cb 0.56 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3fhq h LEU 156 CO 0.04 0.62 0.10 -0.07 0.09 0.00 0.00 178.44 179.22 3fhq h LEU 157 N 0.25 0.99 -0.57 1.67 3.38 -1.18 -1.87 115.31 117.98 3fhq h LEU 157 Ca 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3fhq h LEU 157 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3fhq h LEU 157 CO 0.01 1.00 0.25 -0.08 0.09 0.00 0.00 178.44 179.71 3fhq h GLU 158 N 0.94 0.84 -0.00 1.13 4.81 -0.85 -0.52 114.58 120.93 3fhq h GLU 158 Ca 0.19 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fhq h GLU 158 Cb 0.43 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3fhq h GLU 158 CO 0.01 0.71 0.00 0.28 -0.73 0.00 0.00 179.01 179.28 3fhq h VAL 159 N 0.78 1.04 -0.83 0.32 2.07 -0.93 0.54 116.25 119.24 3fhq h VAL 159 Ca 0.19 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3fhq h VAL 159 Cb 0.17 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3fhq h VAL 159 CO -0.02 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.15 3fhq h ALA 160 N 0.95 1.52 -0.05 1.67 0.00 -1.26 0.56 119.26 122.65 3fhq h ALA 160 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3fhq h ALA 160 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3fhq h ALA 160 CO -0.00 0.39 -0.08 0.22 0.00 0.00 0.00 179.25 179.78 3fhq h ASP 161 N 1.00 0.15 0.00 0.00 3.58 -0.82 -1.58 116.42 118.76 3fhq h ASP 161 Ca 0.34 -0.54 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 3fhq h ASP 161 Cb 0.09 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3fhq h ASP 161 CO -0.11 0.67 -0.00 0.22 -2.88 0.00 0.00 179.24 177.14 3fhq h TYR 162 N -0.36 -0.01 0.00 0.28 3.20 -0.58 -3.20 116.97 116.31 3fhq h TYR 162 Ca 0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3fhq h TYR 162 Cb 0.64 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3fhq h TYR 162 CO 0.11 0.31 -0.51 1.88 -1.64 0.00 0.00 178.16 178.31 3fhq h TYR 163 N -0.32 0.00 -0.42 -3.82 0.05 -1.02 -3.44 116.97 108.01 3fhq h TYR 163 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3fhq h TYR 163 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3fhq h TYR 163 CO 0.03 0.51 0.00 0.41 -1.05 0.00 0.00 178.16 178.06 3fhq n GLY 164 N 0.84 0.72 1.59 3.88 0.00 -0.68 0.25 105.19 111.79 3fhq n GLY 164 Ca 0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3fhq n GLY 164 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fhq n PHE 165 N -0.47 0.31 -1.24 1.61 -1.74 -0.69 -4.78 117.46 110.46 3fhq n PHE 165 Ca 0.00 -1.16 0.06 0.00 -0.56 0.00 0.00 57.45 55.79 3fhq n PHE 165 Cb 0.14 -0.08 0.20 0.00 1.52 0.00 0.00 39.48 41.25 3fhq n PHE 165 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 3fhq n ASP 166 N -1.46 2.62 0.00 5.98 8.00 -0.53 -4.61 116.55 126.54 3fhq n ASP 166 Ca -0.06 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 52.05 3fhq n ASP 166 Cb 0.28 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3fhq n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fhq n GLY 167 N -1.09 0.66 3.22 0.44 0.00 -1.26 0.19 105.19 107.36 3fhq n GLY 167 Ca 0.22 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 3fhq n GLY 167 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fhq s TRP 168 N -1.84 -0.18 -0.19 1.61 0.52 -0.29 -1.80 118.94 116.78 3fhq s TRP 168 Ca 0.00 0.30 -0.09 0.00 0.02 0.00 0.00 56.10 56.33 3fhq s TRP 168 Cb 0.00 0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.36 3fhq s TRP 168 CO 0.00 -0.35 0.12 0.12 0.02 0.00 0.00 176.95 176.87 3fhq s PHE 169 N -1.11 3.41 -0.25 -1.98 5.36 0.60 -1.26 117.98 122.75 3fhq s PHE 169 Ca -0.12 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.13 3fhq s PHE 169 Cb -0.05 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 3fhq s PHE 169 CO 0.03 0.33 -0.01 0.42 -1.46 0.00 0.00 175.22 174.54 3fhq s ILE 170 N 0.16 3.48 -0.34 3.12 -1.09 0.56 -1.09 121.20 126.01 3fhq s ILE 170 Ca 0.08 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 57.90 3fhq s ILE 170 Cb -0.11 -2.69 0.10 0.00 -1.58 0.00 0.00 42.46 38.18 3fhq s ILE 170 CO -0.01 0.27 0.05 0.21 -1.23 0.00 0.00 174.94 174.24 3fhq s ASN 171 N 1.46 4.77 -0.49 3.58 2.47 -0.26 -1.45 114.94 125.01 3fhq s ASN 171 Ca 0.04 -2.17 -0.12 0.00 0.42 0.00 0.00 52.86 51.03 3fhq s ASN 171 Cb -0.16 -1.63 0.12 0.00 -1.45 0.00 0.00 41.25 38.13 3fhq s ASN 171 CO -0.02 -0.38 0.40 -1.58 -3.72 0.00 0.00 177.10 171.80 3fhq s GLN 172 N 0.89 2.65 0.00 0.43 -0.44 -1.26 -0.34 119.66 121.59 3fhq s GLN 172 Ca 0.11 -1.74 0.00 0.00 -2.50 0.00 0.00 55.36 51.23 3fhq s GLN 172 Cb -0.19 -4.05 0.00 0.00 -1.64 0.00 0.00 33.01 27.13 3fhq s GLN 172 CO -0.08 -1.24 0.77 0.39 0.50 0.00 0.00 175.29 175.63 3fhq n GLU 173 N 5.03 1.65 -2.47 1.67 1.02 -0.18 -3.61 120.64 123.74 3fhq n GLU 173 Ca -0.10 -1.06 -0.43 0.00 -0.02 0.00 0.00 57.16 55.55 3fhq n GLU 173 Cb 0.41 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.96 3fhq n GLU 173 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fhq s THR 174 N -0.58 4.31 0.76 2.62 2.01 -1.16 -3.64 115.64 119.96 3fhq s THR 174 Ca 0.00 1.61 -0.11 0.00 0.31 0.00 0.00 61.69 63.50 3fhq s THR 174 Cb 0.00 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.52 3fhq s THR 174 CO 0.00 -0.06 1.09 -1.61 -0.69 0.00 0.00 174.62 173.36 3fhq s GLU 175 N 2.70 2.39 0.00 4.92 8.01 -1.26 -4.46 118.70 131.00 3fhq s GLU 175 Ca 0.55 0.62 0.00 0.00 0.01 0.00 0.00 54.97 56.15 3fhq s GLU 175 Cb -0.23 -1.96 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 3fhq s GLU 175 CO 0.18 -1.40 0.00 0.41 0.01 0.00 0.00 175.26 174.47 3fhq n GLY 176 N -2.34 0.84 3.74 -1.39 0.00 -1.26 -4.68 105.19 100.10 3fhq n GLY 176 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3fhq n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 177 N -2.05 3.40 0.64 4.61 0.00 -1.26 -5.07 121.76 122.02 3fhq s ALA 177 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 3fhq s ALA 177 Cb 0.00 -2.90 0.09 0.00 0.00 0.00 0.00 23.12 20.31 3fhq s ALA 177 CO 0.00 0.05 0.59 -0.40 0.00 0.00 0.00 175.76 176.00 3fhq n ASP 178 N 3.08 0.68 0.23 0.00 5.68 -1.26 -4.02 116.55 120.94 3fhq n ASP 178 Ca -0.04 -1.60 0.10 0.00 -0.50 0.00 0.00 54.79 52.75 3fhq n ASP 178 Cb 0.51 -0.39 0.54 0.00 -1.14 0.00 0.00 41.12 40.64 3fhq n ASP 178 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3fhq h GLU 179 N 0.00 0.00 -0.49 0.11 4.81 -1.77 -2.48 114.58 114.77 3fhq h GLU 179 Ca -0.20 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 3fhq h GLU 179 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3fhq h GLU 179 CO 0.20 0.21 -0.19 0.78 -0.73 0.00 0.00 179.01 179.28 3fhq h GLY 180 N 1.54 1.08 0.97 1.92 0.00 -1.92 -1.62 103.07 105.05 3fhq h GLY 180 Ca -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 3fhq h GLY 180 CO 0.03 0.86 0.25 -0.84 0.00 0.00 0.00 176.54 176.83 3fhq h THR 181 N 0.85 1.17 -0.06 4.70 2.02 -1.84 -0.92 112.91 118.83 3fhq h THR 181 Ca 0.11 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.87 3fhq h THR 181 Cb 0.77 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3fhq h THR 181 CO 0.06 0.19 -0.21 0.00 0.37 0.00 0.00 175.52 175.93 3fhq h ALA 182 N 1.09 -0.21 -0.61 6.16 0.00 -1.24 0.98 119.26 125.42 3fhq h ALA 182 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fhq h ALA 182 Cb 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3fhq h ALA 182 CO -0.02 -0.68 0.40 0.93 0.00 0.00 0.00 179.25 179.87 3fhq h GLU 183 N -0.29 0.81 -0.52 0.00 5.08 -1.11 -1.08 114.58 117.47 3fhq h GLU 183 Ca 0.08 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3fhq h GLU 183 Cb 0.41 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3fhq h GLU 183 CO -0.24 0.54 0.01 0.00 -1.00 0.00 0.00 179.01 178.33 3fhq h ALA 184 N 1.61 0.70 -0.54 3.43 0.00 -0.25 -0.45 119.26 123.76 3fhq h ALA 184 Ca 0.22 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fhq h ALA 184 Cb -0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3fhq h ALA 184 CO -0.05 0.50 0.29 1.98 0.00 0.00 0.00 179.25 181.98 3fhq h MET 185 N 0.78 0.56 -0.95 0.00 1.85 -0.11 0.53 114.93 117.58 3fhq h MET 185 Ca 0.15 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.20 3fhq h MET 185 Cb 0.51 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 32.36 3fhq h MET 185 CO 0.02 0.37 0.59 1.96 -0.40 0.00 0.00 176.91 179.46 3fhq h GLN 186 N 0.57 1.28 -0.36 0.39 4.20 -0.90 0.13 115.11 120.42 3fhq h GLN 186 Ca 0.23 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3fhq h GLN 186 Cb 0.10 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3fhq h GLN 186 CO -0.14 0.88 -0.18 0.00 -0.67 0.00 0.00 178.83 178.73 3fhq h ALA 187 N 1.35 0.51 -0.34 3.87 0.00 -0.27 -1.32 119.26 123.07 3fhq h ALA 187 Ca 0.34 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3fhq h ALA 187 Cb -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3fhq h ALA 187 CO -0.07 0.44 0.08 0.35 0.00 0.00 0.00 179.25 180.06 3fhq h PHE 188 N 0.55 0.14 -0.56 0.00 3.57 0.60 0.28 116.94 121.53 3fhq h PHE 188 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3fhq h PHE 188 Cb 0.72 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3fhq h PHE 188 CO 0.06 0.04 0.20 -0.07 -2.23 0.00 0.00 178.31 176.31 3fhq h LEU 189 N 0.21 0.79 -0.80 0.59 3.38 -0.65 -1.20 115.31 117.63 3fhq h LEU 189 Ca 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fhq h LEU 189 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fhq h LEU 189 CO -0.19 0.77 0.26 0.58 0.09 0.00 0.00 178.44 179.94 3fhq h VAL 190 N 0.77 1.26 -0.59 1.22 2.07 -0.87 -1.40 116.25 118.72 3fhq h VAL 190 Ca 0.18 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3fhq h VAL 190 Cb 0.24 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3fhq h VAL 190 CO -0.01 0.35 0.35 0.22 0.02 0.00 0.00 177.57 178.50 3fhq h TYR 191 N 1.11 0.78 -0.26 1.57 3.20 -0.10 -1.82 116.97 121.44 3fhq h TYR 191 Ca 0.25 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.18 3fhq h TYR 191 Cb 0.27 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 3fhq h TYR 191 CO 0.02 0.53 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.84 3fhq h LEU 192 N 0.80 -0.54 -1.22 2.82 4.07 -0.58 0.04 115.31 120.69 3fhq h LEU 192 Ca 0.21 0.12 0.10 0.00 0.08 0.00 0.00 57.88 58.39 3fhq h LEU 192 Cb -0.02 0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 3fhq h LEU 192 CO -0.04 -0.20 0.57 1.56 -1.08 0.00 0.00 178.44 179.24 3fhq h GLN 193 N -0.14 0.83 -0.02 1.13 1.08 -0.75 0.12 115.11 117.35 3fhq h GLN 193 Ca 0.14 -0.05 -0.22 0.00 -1.45 0.00 0.00 58.65 57.07 3fhq h GLN 193 Cb 0.36 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3fhq h GLN 193 CO -0.35 0.55 -0.91 0.93 -0.95 0.00 0.00 178.83 178.10 3fhq h GLU 194 N 0.86 0.48 0.00 1.46 5.08 -0.76 -3.34 114.58 118.35 3fhq h GLU 194 Ca 0.41 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3fhq h GLU 194 Cb 0.42 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3fhq h GLU 194 CO -0.17 1.12 -0.69 1.04 -1.00 0.00 0.00 179.01 179.32 3fhq n GLN 195 N -3.79 0.25 -2.34 2.33 1.13 -0.05 -4.97 117.38 109.94 3fhq n GLN 195 Ca -0.07 0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.71 3fhq n GLN 195 Cb 0.81 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 29.51 3fhq n GLN 195 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3fhq s LYS 196 N -3.15 3.57 0.64 -1.09 -2.85 0.36 -5.03 119.74 112.19 3fhq s LYS 196 Ca 0.06 1.36 -0.17 0.00 -1.00 0.00 0.00 55.97 56.23 3fhq s LYS 196 Cb 0.14 -2.06 -0.01 0.00 -2.06 0.00 0.00 37.83 33.84 3fhq s LYS 196 CO 0.73 -0.62 1.15 -2.14 0.10 0.00 0.00 175.35 174.57 3fhq s PRO 197 N -3.48 2.82 0.34 1.78 0.02 -1.26 -4.96 135.00 130.25 3fhq s PRO 197 Ca 0.67 1.60 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 3fhq s PRO 197 Cb -0.18 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 3fhq s PRO 197 CO 0.26 -1.28 1.38 -1.91 -0.33 0.00 0.00 177.00 175.12 3fhq n GLU 198 N -2.07 2.31 0.00 5.54 2.13 -1.26 -2.16 120.64 125.14 3fhq n GLU 198 Ca 0.12 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3fhq n GLU 198 Cb 0.51 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.76 3fhq n GLU 198 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fhq n GLY 199 N 0.88 3.10 3.76 8.31 0.00 -1.26 -5.04 105.19 114.94 3fhq n GLY 199 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3fhq n GLY 199 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fhq s MET 200 N -0.31 3.43 -0.14 1.61 -2.45 -0.92 -4.98 119.30 115.55 3fhq s MET 200 Ca 0.00 2.09 0.00 0.00 -1.25 0.00 0.00 55.69 56.53 3fhq s MET 200 Cb 0.00 -2.36 0.02 0.00 1.25 0.00 0.00 34.83 33.74 3fhq s MET 200 CO 0.00 -0.91 -0.13 -1.58 1.05 0.00 0.00 175.02 173.45 3fhq s HIS 201 N -1.37 2.00 -0.25 4.11 2.46 0.13 -4.96 115.29 117.40 3fhq s HIS 201 Ca 0.67 -1.08 -0.06 0.00 0.47 0.00 0.00 55.06 55.07 3fhq s HIS 201 Cb -0.37 -1.50 -0.01 0.00 -0.13 0.00 0.00 32.58 30.58 3fhq s HIS 201 CO 0.44 -0.61 0.03 0.42 -2.47 0.00 0.00 174.74 172.55 3fhq s ILE 202 N 1.45 3.82 -0.13 0.89 -1.09 -1.26 -1.14 121.20 123.74 3fhq s ILE 202 Ca 0.03 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3fhq s ILE 202 Cb -0.13 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 3fhq s ILE 202 CO -0.09 0.29 -0.11 -0.32 -1.23 0.00 0.00 174.94 173.48 3fhq s MET 203 N 1.52 3.44 -0.11 2.79 -2.45 -0.39 -0.97 119.30 123.14 3fhq s MET 203 Ca 0.05 -0.65 -0.02 0.00 -1.25 0.00 0.00 55.69 53.81 3fhq s MET 203 Cb -0.15 -2.68 -0.03 0.00 1.25 0.00 0.00 34.83 33.21 3fhq s MET 203 CO 0.00 0.22 -0.01 -0.46 1.05 0.00 0.00 175.02 175.82 3fhq s TRP 204 N 0.34 3.10 0.26 4.11 -0.11 -0.34 -0.32 118.94 125.98 3fhq s TRP 204 Ca -0.10 0.03 -0.30 0.00 1.22 0.00 0.00 56.10 56.96 3fhq s TRP 204 Cb -0.16 -1.85 -0.09 0.00 -1.50 0.00 0.00 33.47 29.88 3fhq s TRP 204 CO 0.05 0.29 1.03 -0.47 -4.62 0.00 0.00 176.95 173.23 3fhq s TYR 205 N -0.44 3.77 -1.12 5.86 5.04 -0.53 -0.51 117.35 129.41 3fhq s TYR 205 Ca 0.08 1.80 -0.25 0.00 -2.44 0.00 0.00 57.07 56.26 3fhq s TYR 205 Cb -0.12 -3.15 -0.16 0.00 0.35 0.00 0.00 41.96 38.88 3fhq s TYR 205 CO 0.02 -0.09 2.04 0.34 -1.34 0.00 0.00 175.55 176.52 3fhq s ASP 206 N -1.02 4.17 0.00 4.32 2.15 -0.56 -4.60 116.67 121.13 3fhq s ASP 206 Ca 0.43 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 52.15 3fhq s ASP 206 Cb -0.29 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 3fhq s ASP 206 CO 0.37 -3.98 0.00 -1.54 -0.17 0.00 0.00 175.17 169.85 3fhq n SER 207 N 17.24 0.00 -4.67 -0.34 3.41 -1.26 -4.35 113.62 123.65 3fhq n SER 207 Ca 0.43 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 3fhq n SER 207 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3fhq n SER 207 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3fhq s MET 208 N -0.32 4.19 0.19 4.33 -2.45 -1.24 -1.81 119.30 122.19 3fhq s MET 208 Ca 0.00 2.22 -0.01 0.00 -1.25 0.00 0.00 55.69 56.65 3fhq s MET 208 Cb 0.00 -3.90 0.04 0.00 1.25 0.00 0.00 34.83 32.22 3fhq s MET 208 CO 0.00 -0.81 0.25 0.44 1.05 0.00 0.00 175.02 175.95 3fhq n ILE 209 N 5.28 0.00 0.06 10.11 -5.35 -0.27 -4.90 119.36 124.30 3fhq n ILE 209 Ca 0.17 -0.33 0.09 0.00 -0.27 0.00 0.00 62.75 62.41 3fhq n ILE 209 Cb 0.42 -1.44 0.54 0.00 -1.74 0.00 0.00 39.64 37.43 3fhq n ILE 209 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3fhq h ASP 210 N -0.21 0.24 0.91 7.28 3.04 -1.37 -1.61 116.42 124.70 3fhq h ASP 210 Ca -0.08 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 3fhq h ASP 210 Cb 0.28 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 3fhq h ASP 210 CO 0.08 0.16 0.00 0.35 -2.04 0.00 0.00 179.24 177.79 3fhq n THR 211 N -4.48 0.07 0.00 1.15 -2.24 -1.26 -4.73 114.28 102.79 3fhq n THR 211 Ca 0.03 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3fhq n THR 211 Cb 0.20 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3fhq n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fhq n GLY 212 N 1.36 2.04 3.74 3.38 0.00 -0.60 -2.36 105.19 112.75 3fhq n GLY 212 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3fhq n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 213 N -2.36 2.29 -0.36 4.61 0.00 -1.26 -4.35 121.76 120.35 3fhq s ALA 213 Ca 0.00 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 3fhq s ALA 213 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3fhq s ALA 213 CO 0.00 -1.58 0.55 0.42 0.00 0.00 0.00 175.76 175.15 3fhq s ILE 214 N -1.99 4.98 -0.47 0.00 1.01 -1.26 -1.12 121.20 122.35 3fhq s ILE 214 Ca 0.73 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.82 3fhq s ILE 214 Cb -0.27 -4.00 0.24 0.00 0.01 0.00 0.00 42.46 38.44 3fhq s ILE 214 CO 0.42 -0.26 0.81 0.00 0.00 0.00 0.00 174.94 175.91 3fhq n ALA 215 N 5.83 -0.69 -1.38 9.38 0.00 -0.75 -4.98 120.51 127.91 3fhq n ALA 215 Ca -0.04 -1.77 -0.54 0.00 0.00 0.00 0.00 53.44 51.09 3fhq n ALA 215 Cb 0.49 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3fhq n ALA 215 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3fhq n TRP 216 N 1.65 0.60 -0.03 0.00 8.01 -1.23 -4.77 117.44 121.67 3fhq n TRP 216 Ca 0.12 0.98 -0.02 0.00 -1.31 0.00 0.00 57.50 57.27 3fhq n TRP 216 Cb 0.61 -1.93 -0.13 0.00 -2.01 0.00 0.00 31.31 27.85 3fhq n TRP 216 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3fhq n GLN 217 N 1.40 0.66 -0.87 -0.99 1.13 -1.26 -4.96 117.38 112.48 3fhq n GLN 217 Ca 0.19 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 3fhq n GLN 217 Cb 0.07 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 28.79 3fhq n GLN 217 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fhq n ASN 218 N -2.70 -2.12 -3.80 1.08 3.02 -1.26 -4.89 115.26 104.59 3fhq n ASN 218 Ca -0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 3fhq n ASN 218 Cb 0.91 -1.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.49 3fhq n ASN 218 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3fhq s HIS 219 N -2.06 -0.06 -0.25 3.10 3.76 -1.26 -4.58 115.29 113.93 3fhq s HIS 219 Ca 0.00 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 3fhq s HIS 219 Cb 0.00 0.43 0.01 0.00 1.11 0.00 0.00 32.58 34.14 3fhq s HIS 219 CO 0.00 -1.00 1.05 -1.17 -0.85 0.00 0.00 174.74 172.77 3fhq s LEU 220 N -2.91 4.06 0.00 0.89 2.96 -1.26 -4.94 118.68 117.48 3fhq s LEU 220 Ca 0.12 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 3fhq s LEU 220 Cb -0.02 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 3fhq s LEU 220 CO 0.01 -0.72 0.12 0.35 -1.32 0.00 0.00 176.35 174.79 3fhq n THR 221 N 5.46 0.00 0.30 3.68 -2.24 -1.26 -4.55 114.28 115.66 3fhq n THR 221 Ca 0.12 -2.48 0.17 0.00 -2.27 0.00 0.00 64.05 59.60 3fhq n THR 221 Cb 0.46 0.82 0.91 0.00 -2.10 0.00 0.00 70.33 70.43 3fhq n THR 221 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fhq h ASP 222 N 1.62 0.00 1.86 3.42 3.32 -2.00 -0.36 116.42 124.27 3fhq h ASP 222 Ca -0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3fhq h ASP 222 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 3fhq h ASP 222 CO 0.56 0.04 -0.00 0.03 -1.72 0.00 0.00 179.24 178.15 3fhq h ARG 223 N 0.00 0.00 0.00 3.56 2.47 -1.97 -3.37 114.38 115.07 3fhq h ARG 223 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3fhq h ARG 223 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3fhq h ARG 223 CO 0.01 0.00 0.00 0.27 0.56 0.00 0.00 179.97 180.81 3fhq n ASN 224 N -3.10 0.12 0.29 7.04 0.23 -1.04 -0.95 115.26 117.86 3fhq n ASN 224 Ca 0.03 -0.45 0.17 0.00 -0.53 0.00 0.00 54.58 53.80 3fhq n ASN 224 Cb 0.50 0.28 0.90 0.00 -2.08 0.00 0.00 39.78 39.38 3fhq n ASN 224 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3fhq h LYS 225 N 0.00 0.00 0.00 -3.83 2.10 -1.23 -1.45 116.57 112.15 3fhq h LYS 225 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fhq h LYS 225 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3fhq h LYS 225 CO 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.50 3fhq n MET 226 N -3.45 0.04 0.00 0.07 0.00 -1.26 -1.26 117.12 111.26 3fhq n MET 226 Ca -0.02 0.25 0.11 0.00 0.00 0.00 0.00 57.70 58.05 3fhq n MET 226 Cb 0.17 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 32.03 3fhq n MET 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3fhq n TYR 227 N -1.46 0.00 -0.08 3.17 4.01 -0.55 -4.34 117.16 117.92 3fhq n TYR 227 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 3fhq n TYR 227 Cb 0.14 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 3fhq n TYR 227 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3fhq n LEU 228 N -1.39 1.42 -3.69 7.72 7.94 -0.63 -3.49 117.00 124.88 3fhq n LEU 228 Ca 0.06 0.24 -0.12 0.00 -1.11 0.00 0.00 56.01 55.08 3fhq n LEU 228 Cb 0.34 -0.57 -0.09 0.00 0.53 0.00 0.00 43.42 43.62 3fhq n LEU 228 CO 0.36 0.17 0.17 -1.58 -1.11 0.00 0.00 177.39 175.41 3fhq s GLN 229 N -2.42 0.55 -0.30 1.96 2.00 -0.39 -1.28 119.66 119.78 3fhq s GLN 229 Ca -0.25 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 53.90 3fhq s GLN 229 Cb 0.08 0.18 0.09 0.00 0.80 0.00 0.00 33.01 34.17 3fhq s GLN 229 CO 0.32 -0.10 0.06 1.21 -0.50 0.00 0.00 175.29 176.28 3fhq s ASN 230 N 0.73 4.13 1.54 6.67 3.84 -0.08 -4.16 114.94 127.62 3fhq s ASN 230 Ca -0.04 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.36 3fhq s ASN 230 Cb -0.05 -1.07 0.00 0.00 -0.55 0.00 0.00 41.25 39.58 3fhq s ASN 230 CO -0.05 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 3fhq n GLY 231 N 4.69 3.06 0.82 1.21 0.00 -1.26 -0.94 105.19 112.77 3fhq n GLY 231 Ca -0.02 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3fhq n GLY 231 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fhq n SER 232 N 8.32 2.66 -4.74 1.61 3.41 -1.26 -4.88 113.62 118.74 3fhq n SER 232 Ca 0.00 -1.85 -0.39 0.00 -0.26 0.00 0.00 58.87 56.38 3fhq n SER 232 Cb 0.00 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3fhq n SER 232 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fhq s THR 233 N -2.11 5.01 -0.12 6.66 2.01 -0.11 -5.05 115.64 121.92 3fhq s THR 233 Ca 0.26 1.22 -0.20 0.00 0.31 0.00 0.00 61.69 63.29 3fhq s THR 233 Cb 0.20 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3fhq s THR 233 CO 0.36 0.36 0.55 -0.60 -0.69 0.00 0.00 174.62 174.60 3fhq s ARG 234 N 0.23 4.33 -0.21 4.92 3.52 -1.26 -0.90 118.95 129.58 3fhq s ARG 234 Ca 0.31 0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 56.47 3fhq s ARG 234 Cb -0.17 -3.46 -0.13 0.00 -1.56 0.00 0.00 34.95 29.62 3fhq s ARG 234 CO 0.16 0.07 -0.20 0.28 -0.81 0.00 0.00 175.30 174.79 3fhq n VAL 235 N 3.88 1.21 -3.88 7.11 0.31 -0.40 -4.66 118.33 121.91 3fhq n VAL 235 Ca -0.05 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 3fhq n VAL 235 Cb 0.51 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.04 3fhq n VAL 235 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fhq s ALA 236 N -2.42 -0.16 -0.28 3.52 0.00 -0.75 -3.94 121.76 117.72 3fhq s ALA 236 Ca -0.29 -0.68 0.19 0.00 0.00 0.00 0.00 51.96 51.18 3fhq s ALA 236 Cb 0.08 0.54 0.17 0.00 0.00 0.00 0.00 23.12 23.91 3fhq s ALA 236 CO 0.47 -0.52 1.47 -0.44 0.00 0.00 0.00 175.76 176.74 3fhq h ASP 237 N 2.73 0.00 -5.09 0.00 3.32 -1.36 -3.45 116.42 112.57 3fhq h ASP 237 Ca -0.34 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.85 3fhq h ASP 237 Cb 1.20 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 3fhq h ASP 237 CO 0.55 0.26 0.46 -0.94 -1.72 0.00 0.00 179.24 177.85 3fhq s SER 238 N -6.28 -0.26 -0.03 6.45 1.04 -1.19 -4.85 113.70 108.58 3fhq s SER 238 Ca 0.05 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.23 3fhq s SER 238 Cb 0.07 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3fhq s SER 238 CO 0.72 -0.85 -0.10 -0.32 0.98 0.00 0.00 173.24 173.66 3fhq s MET 239 N -3.30 1.09 -0.47 4.02 1.75 -0.32 -1.20 119.30 120.87 3fhq s MET 239 Ca 0.09 -0.35 -0.18 0.00 -1.25 0.00 0.00 55.69 54.00 3fhq s MET 239 Cb -0.02 -1.00 0.05 0.00 2.84 0.00 0.00 34.83 36.70 3fhq s MET 239 CO -0.02 0.13 0.53 0.12 -0.65 0.00 0.00 175.02 175.14 3fhq s PHE 240 N 0.19 3.12 0.27 4.11 5.36 0.33 0.01 117.98 131.37 3fhq s PHE 240 Ca -0.04 -0.51 -0.29 0.00 -0.96 0.00 0.00 56.93 55.13 3fhq s PHE 240 Cb -0.09 -3.27 -0.09 0.00 -0.34 0.00 0.00 43.02 39.22 3fhq s PHE 240 CO 0.01 -0.88 1.19 -0.51 -1.46 0.00 0.00 175.22 173.56 3fhq s LEU 241 N 2.34 4.49 0.98 6.12 1.02 0.67 -1.49 118.68 132.81 3fhq s LEU 241 Ca 0.13 2.38 -0.12 0.00 0.02 0.00 0.00 54.13 56.54 3fhq s LEU 241 Cb -0.19 -3.63 0.18 0.00 0.02 0.00 0.00 46.19 42.57 3fhq s LEU 241 CO 0.12 -0.32 1.08 0.21 0.02 0.00 0.00 176.35 177.46 3fhq s ASN 242 N -0.46 2.64 0.46 2.29 2.47 -1.26 -1.30 114.94 119.76 3fhq s ASN 242 Ca 0.48 1.54 0.25 0.00 0.42 0.00 0.00 52.86 55.56 3fhq s ASN 242 Cb -0.34 -2.21 0.60 0.00 -1.45 0.00 0.00 41.25 37.85 3fhq s ASN 242 CO 0.43 -3.17 1.70 -0.26 -3.72 0.00 0.00 177.10 172.08 3fhq h PHE 243 N -1.92 0.00 -1.07 0.43 -1.00 -1.91 -3.39 116.94 108.09 3fhq h PHE 243 Ca -0.52 0.00 -0.74 0.00 2.81 0.00 0.00 57.97 59.52 3fhq h PHE 243 Cb 1.30 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.75 3fhq h PHE 243 CO 0.37 0.05 2.48 0.91 -1.61 0.00 0.00 178.31 180.51 3fhq n TRP 244 N -3.12 2.70 -4.31 -0.55 8.01 -1.26 -4.88 117.44 114.02 3fhq n TRP 244 Ca 0.03 -2.84 -0.24 0.00 -1.31 0.00 0.00 57.50 53.14 3fhq n TRP 244 Cb 0.49 -1.95 -0.12 0.00 -2.01 0.00 0.00 31.31 27.71 3fhq n TRP 244 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.69 178.35 3fhq s TRP 245 N -0.25 1.85 -0.06 -5.99 1.48 -1.26 -4.86 118.94 109.85 3fhq s TRP 245 Ca 0.51 -0.43 0.05 0.00 -1.06 0.00 0.00 56.10 55.17 3fhq s TRP 245 Cb 0.16 -0.98 -0.07 0.00 -1.16 0.00 0.00 33.47 31.42 3fhq s TRP 245 CO -0.06 0.26 0.13 0.54 -4.06 0.00 0.00 176.95 173.76 3fhq n ARG 246 N 0.80 1.46 -3.60 3.25 5.12 -1.26 -4.86 116.66 117.56 3fhq n ARG 246 Ca -0.17 -0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.57 3fhq n ARG 246 Cb 0.55 -1.02 -0.06 0.00 -1.16 0.00 0.00 32.46 30.77 3fhq n ARG 246 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3fhq s ASP 247 N -2.29 -0.44 0.00 0.55 2.15 -1.26 -4.04 116.67 111.34 3fhq s ASP 247 Ca -0.01 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.25 3fhq s ASP 247 Cb 0.03 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 3fhq s ASP 247 CO 0.20 -0.64 0.55 0.00 -0.17 0.00 0.00 175.17 175.11 3fhq n GLN 248 N 0.70 0.40 -0.27 4.34 1.13 -0.48 -4.74 117.38 118.46 3fhq n GLN 248 Ca -0.19 -0.68 0.08 0.00 -1.94 0.00 0.00 57.00 54.27 3fhq n GLN 248 Cb 0.59 -0.85 0.23 0.00 0.11 0.00 0.00 30.24 30.31 3fhq n GLN 248 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3fhq h ARG 249 N 0.00 0.31 -0.46 -1.09 2.43 -1.93 -1.02 114.38 112.63 3fhq h ARG 249 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3fhq h ARG 249 Cb 0.35 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3fhq h ARG 249 CO 0.00 0.20 0.19 -0.56 -1.51 0.00 0.00 179.97 178.30 3fhq h GLN 250 N 0.32 0.65 -0.07 0.20 3.07 -1.97 0.01 115.11 117.31 3fhq h GLN 250 Ca 0.47 -0.08 -0.22 0.00 0.09 0.00 0.00 58.65 58.91 3fhq h GLN 250 Cb 0.83 -0.12 0.01 0.00 0.08 0.00 0.00 27.48 28.28 3fhq h GLN 250 CO -0.52 0.53 -0.84 0.77 0.09 0.00 0.00 178.83 178.85 3fhq h SER 251 N 0.65 0.72 0.09 0.06 0.02 -1.46 -1.16 113.55 112.47 3fhq h SER 251 Ca 0.16 -0.51 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 3fhq h SER 251 Cb 0.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3fhq h SER 251 CO -0.02 1.30 -0.17 -1.13 -1.14 0.00 0.00 176.83 175.67 3fhq h ASN 252 N 0.38 -0.46 -0.28 3.07 -0.73 -0.81 -0.23 115.58 116.53 3fhq h ASN 252 Ca -0.06 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.19 3fhq h ASN 252 Cb 1.46 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 40.20 3fhq h ASN 252 CO 0.16 -0.24 0.08 -0.33 -0.37 0.00 0.00 177.43 176.73 3fhq h GLU 253 N -0.32 0.19 -0.78 6.67 5.08 -0.92 -1.49 114.58 123.01 3fhq h GLU 253 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3fhq h GLU 253 Cb 0.34 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3fhq h GLU 253 CO -0.09 0.13 0.43 1.25 -1.00 0.00 0.00 179.01 179.72 3fhq h LEU 254 N 0.20 0.96 -0.59 1.33 5.85 -1.12 -1.78 115.31 120.16 3fhq h LEU 254 Ca 0.12 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3fhq h LEU 254 Cb 0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3fhq h LEU 254 CO -0.14 0.77 0.20 0.00 -0.34 0.00 0.00 178.44 178.94 3fhq h ALA 255 N 1.39 0.77 -0.64 1.25 0.00 -0.50 -1.32 119.26 120.21 3fhq h ALA 255 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fhq h ALA 255 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3fhq h ALA 255 CO -0.05 0.42 0.41 1.96 0.00 0.00 0.00 179.25 181.99 3fhq h GLN 256 N 0.83 0.81 0.00 0.00 4.20 -0.87 -0.10 115.11 119.98 3fhq h GLN 256 Ca 0.19 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3fhq h GLN 256 Cb 0.25 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3fhq h GLN 256 CO -0.01 0.53 -0.09 0.00 -0.67 0.00 0.00 178.83 178.60 3fhq h ALA 257 N 1.25 1.43 -0.00 3.87 0.00 -0.80 -0.32 119.26 124.67 3fhq h ALA 257 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fhq h ALA 257 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fhq h ALA 257 CO -0.07 0.11 -0.23 1.28 0.00 0.00 0.00 179.25 180.34 3fhq n LEU 258 N -3.81 0.54 -0.77 0.00 4.77 -0.55 -4.92 117.00 112.25 3fhq n LEU 258 Ca -0.02 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 3fhq n LEU 258 Cb 0.19 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3fhq n LEU 258 CO 0.30 0.11 -0.09 0.61 -1.33 0.00 0.00 177.39 176.99 3fhq n GLY 259 N 1.38 0.10 3.38 -0.72 0.00 -0.13 -4.95 105.19 104.25 3fhq n GLY 259 Ca 0.10 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 3fhq n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhq s ARG 260 N -4.32 1.39 0.21 1.61 1.81 -0.14 -5.02 118.95 114.49 3fhq s ARG 260 Ca 0.00 -1.38 -0.31 0.00 -1.72 0.00 0.00 55.73 52.32 3fhq s ARG 260 Cb 0.00 -1.79 -0.10 0.00 -0.45 0.00 0.00 34.95 32.61 3fhq s ARG 260 CO 0.00 0.41 1.55 0.45 -0.68 0.00 0.00 175.30 177.03 3fhq s SER 261 N -2.24 6.56 0.57 0.23 0.15 -1.26 -3.58 113.70 114.13 3fhq s SER 261 Ca 0.15 2.70 0.34 0.00 0.70 0.00 0.00 55.95 59.84 3fhq s SER 261 Cb -0.09 -2.61 1.87 0.00 -1.71 0.00 0.00 66.02 63.48 3fhq s SER 261 CO 0.07 -0.81 2.04 -0.65 1.20 0.00 0.00 173.24 175.09 3fhq h PRO 262 N 6.04 0.00 -0.59 5.44 0.11 -1.85 -1.90 132.00 139.25 3fhq h PRO 262 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fhq h PRO 262 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fhq h PRO 262 CO 0.86 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.31 3fhq n TYR 263 N -2.79 0.88 0.66 0.65 4.02 -1.26 -2.24 117.16 117.08 3fhq n TYR 263 Ca -0.02 -0.35 0.12 0.00 -0.01 0.00 0.00 57.90 57.63 3fhq n TYR 263 Cb 0.16 -0.16 0.20 0.00 -0.02 0.00 0.00 39.34 39.51 3fhq n TYR 263 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3fhq n ASP 264 N 0.57 3.11 -4.67 7.72 8.00 -0.71 -4.51 116.55 126.06 3fhq n ASP 264 Ca 0.15 -1.96 -0.35 0.00 0.71 0.00 0.00 54.79 53.35 3fhq n ASP 264 Cb 0.57 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 3fhq n ASP 264 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fhq s LEU 265 N -1.69 3.86 -0.37 0.64 1.43 -0.95 -1.17 118.68 120.43 3fhq s LEU 265 Ca 0.35 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3fhq s LEU 265 Cb 0.21 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.56 3fhq s LEU 265 CO 0.31 0.22 0.13 -0.31 0.23 0.00 0.00 176.35 176.92 3fhq s TYR 266 N 0.11 3.55 -0.02 0.29 2.02 0.10 -0.38 117.35 123.02 3fhq s TYR 266 Ca 0.05 -2.41 -0.30 0.00 -0.37 0.00 0.00 57.07 54.05 3fhq s TYR 266 Cb -0.12 -2.92 -0.07 0.00 -0.40 0.00 0.00 41.96 38.45 3fhq s TYR 266 CO 0.01 -0.93 1.87 0.00 -1.57 0.00 0.00 175.55 174.92 3fhq s ALA 267 N 1.12 3.53 0.22 3.71 0.00 -0.13 -0.24 121.76 129.98 3fhq s ALA 267 Ca 0.06 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 3fhq s ALA 267 Cb -0.21 -3.83 -0.08 0.00 0.00 0.00 0.00 23.12 19.00 3fhq s ALA 267 CO -0.04 -1.60 1.04 0.20 0.00 0.00 0.00 175.76 175.36 3fhq s GLY 268 N 4.28 3.00 -0.10 0.00 0.00 -0.42 -0.14 107.32 113.94 3fhq s GLY 268 Ca 0.84 0.76 0.02 0.00 0.00 0.00 0.00 44.72 46.34 3fhq s GLY 268 CO 0.37 1.47 -0.16 0.14 0.00 0.00 0.00 173.10 174.91 3fhq s VAL 269 N -0.72 1.53 -0.50 1.40 1.01 0.23 -4.36 120.40 118.99 3fhq s VAL 269 Ca 0.45 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 3fhq s VAL 269 Cb -0.29 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3fhq s VAL 269 CO 0.35 0.45 0.73 -0.62 0.00 0.00 0.00 175.10 176.01 3fhq s ASP 270 N 0.84 6.29 -0.00 3.32 -1.08 -1.26 -0.62 116.67 124.15 3fhq s ASP 270 Ca -0.10 -0.57 0.09 0.00 -0.52 0.00 0.00 52.55 51.45 3fhq s ASP 270 Cb -0.15 -2.34 0.26 0.00 -1.46 0.00 0.00 42.92 39.22 3fhq s ASP 270 CO 0.01 -0.96 1.22 1.33 0.52 0.00 0.00 175.17 177.28 3fhq n VAL 271 N 5.87 1.02 -0.10 1.11 0.24 -0.88 -4.74 118.33 120.85 3fhq n VAL 271 Ca -0.03 -1.02 -0.06 0.00 -2.04 0.00 0.00 64.34 61.20 3fhq n VAL 271 Cb 0.47 0.49 0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3fhq n VAL 271 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3fhq h GLU 272 N 1.70 0.18 0.10 7.34 4.81 -1.73 -0.64 114.58 126.34 3fhq h GLU 272 Ca 0.00 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 3fhq h GLU 272 Cb 0.71 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3fhq h GLU 272 CO 0.00 0.12 -1.44 0.00 -0.73 0.00 0.00 179.01 176.96 3fhq h ALA 273 N 1.26 0.28 0.00 2.92 0.00 -1.91 -3.41 119.26 118.40 3fhq h ALA 273 Ca 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3fhq h ALA 273 Cb 0.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fhq h ALA 273 CO -0.22 1.15 0.00 0.54 0.00 0.00 0.00 179.25 180.72 3fhq n ARG 274 N -3.43 4.01 0.00 0.00 1.74 -1.21 -5.07 116.66 112.70 3fhq n ARG 274 Ca -0.13 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3fhq n ARG 274 Cb 1.03 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 3fhq n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fhq n GLY 275 N 0.61 2.30 0.00 -0.13 0.00 -0.25 -0.26 105.19 107.47 3fhq n GLY 275 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.48 3fhq n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fhq n THR 276 N 0.00 0.97 -0.03 2.61 -2.24 -1.26 -1.32 114.28 113.01 3fhq n THR 276 Ca 0.00 0.24 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 3fhq n THR 276 Cb 0.00 -1.00 0.28 0.00 -2.10 0.00 0.00 70.33 67.51 3fhq n THR 276 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fhq n SER 277 N -1.47 3.52 -4.68 3.42 7.64 0.64 -4.60 113.62 118.10 3fhq n SER 277 Ca 0.04 -2.14 -0.43 0.00 1.01 0.00 0.00 58.87 57.35 3fhq n SER 277 Cb 0.16 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 3fhq n SER 277 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fhq s THR 278 N -1.43 4.37 0.14 0.44 2.01 -0.43 -4.95 115.64 115.79 3fhq s THR 278 Ca 0.41 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 3fhq s THR 278 Cb 0.23 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 3fhq s THR 278 CO 0.25 -0.06 1.21 -2.84 -0.69 0.00 0.00 174.62 172.48 3fhq s PRO 279 N 2.71 4.46 -0.01 4.92 0.02 -1.26 -4.95 135.00 140.88 3fhq s PRO 279 Ca 0.53 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3fhq s PRO 279 Cb -0.22 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.04 3fhq s PRO 279 CO 0.17 -0.17 0.00 0.08 -0.33 0.00 0.00 177.00 176.76 3fhq s VAL 280 N 0.42 0.06 -1.41 3.83 1.01 -1.26 -5.03 120.40 118.02 3fhq s VAL 280 Ca 0.56 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 3fhq s VAL 280 Cb -0.32 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.01 3fhq s VAL 280 CO 0.33 0.07 2.09 0.00 0.00 0.00 0.00 175.10 177.59 3fhq n GLN 281 N 3.57 3.01 -0.28 2.72 1.13 -1.26 -4.82 117.38 121.46 3fhq n GLN 281 Ca -0.19 -2.84 0.02 0.00 -1.94 0.00 0.00 57.00 52.04 3fhq n GLN 281 Cb 0.55 -3.28 0.15 0.00 0.11 0.00 0.00 30.24 27.77 3fhq n GLN 281 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 3fhq h TRP 282 N 6.25 0.81 -0.71 1.08 4.06 -1.96 -0.15 115.95 125.34 3fhq h TRP 282 Ca 0.53 0.03 0.19 0.00 2.06 0.00 0.00 58.89 61.69 3fhq h TRP 282 Cb 0.68 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 3fhq h TRP 282 CO 1.42 0.35 0.50 0.93 -3.56 0.00 0.00 178.44 178.08 3fhq h GLU 283 N 0.77 0.11 0.00 0.49 3.07 -1.88 0.58 114.58 117.72 3fhq h GLU 283 Ca 0.37 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3fhq h GLU 283 Cb 0.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3fhq h GLU 283 CO -0.23 0.07 0.00 0.78 -1.40 0.00 0.00 179.01 178.23 3fhq h GLY 284 N 0.11 0.00 0.00 -3.84 0.00 -1.15 -2.84 103.07 95.34 3fhq h GLY 284 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 3fhq h GLY 284 CO -0.04 0.00 -1.23 -0.10 0.00 0.00 0.00 176.54 175.17 3fhq n LEU 285 N -2.37 2.66 -3.59 3.11 7.94 0.46 -1.38 117.00 123.83 3fhq n LEU 285 Ca 0.01 -0.02 -0.27 0.00 -1.11 0.00 0.00 56.01 54.62 3fhq n LEU 285 Cb 0.19 -0.12 -0.10 0.00 0.53 0.00 0.00 43.42 43.92 3fhq n LEU 285 CO 0.18 0.51 -0.05 0.49 -1.11 0.00 0.00 177.39 177.42 3fhq n PHE 286 N -2.56 2.59 -2.07 1.96 3.01 0.17 -1.45 117.46 119.12 3fhq n PHE 286 Ca -0.07 -4.07 -0.38 0.00 1.01 0.00 0.00 57.45 53.94 3fhq n PHE 286 Cb 0.58 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3fhq n PHE 286 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3fhq s PRO 287 N -1.67 3.75 0.31 -1.08 0.04 -1.08 -4.41 135.00 130.86 3fhq s PRO 287 Ca 0.33 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.47 3fhq s PRO 287 Cb 0.06 -2.55 0.52 0.00 0.04 0.00 0.00 34.50 32.56 3fhq s PRO 287 CO -0.11 -0.64 1.77 0.93 0.04 0.00 0.00 177.00 179.00 3fhq h GLU 288 N 2.25 0.38 0.00 4.56 5.08 -1.93 -3.37 114.58 121.55 3fhq h GLU 288 Ca -0.50 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3fhq h GLU 288 Cb 1.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fhq h GLU 288 CO 0.61 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 179.63 3fhq n GLY 289 N -0.49 -0.37 0.00 -3.84 0.00 -1.26 -4.95 105.19 94.28 3fhq n GLY 289 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fhq n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fhq n GLU 290 N 0.00 0.31 -0.84 1.61 -0.58 -1.26 -5.07 120.64 114.81 3fhq n GLU 290 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3fhq n GLU 290 Cb 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 30.96 3fhq n GLU 290 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3fhq n LYS 291 N -0.67 -0.53 -2.25 3.49 2.85 -1.26 -4.53 118.16 115.27 3fhq n LYS 291 Ca 0.00 -0.89 -0.41 0.00 -1.05 0.00 0.00 58.31 55.96 3fhq n LYS 291 Cb 0.00 -0.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.78 3fhq n LYS 291 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fhq s ALA 292 N -3.95 3.47 0.15 0.58 0.00 -1.26 -4.37 121.76 116.38 3fhq s ALA 292 Ca 0.32 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 3fhq s ALA 292 Cb -0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3fhq s ALA 292 CO 0.22 -0.47 1.50 0.45 0.00 0.00 0.00 175.76 177.46 3fhq h HIS 293 N 3.91 1.14 -1.93 0.00 -0.00 -1.58 -3.48 115.15 113.21 3fhq h HIS 293 Ca -0.47 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 59.57 3fhq h HIS 293 Cb 1.22 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3fhq h HIS 293 CO 0.58 1.16 0.00 0.25 -0.00 0.00 0.00 177.93 179.92 3fhq n THR 294 N -4.07 0.00 -2.42 2.45 -2.24 -1.26 -4.44 114.28 102.30 3fhq n THR 294 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 3fhq n THR 294 Cb 0.52 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.89 3fhq n THR 294 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fhq n SER 295 N -2.20 1.00 -4.47 3.42 7.64 0.49 -4.71 113.62 114.78 3fhq n SER 295 Ca 0.00 -1.95 -0.33 0.00 1.01 0.00 0.00 58.87 57.60 3fhq n SER 295 Cb 0.00 -0.74 -0.13 0.00 -1.01 0.00 0.00 64.21 62.33 3fhq n SER 295 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3fhq s LEU 296 N 0.00 2.78 -0.19 -3.43 2.96 0.81 -0.95 118.68 120.66 3fhq s LEU 296 Ca 0.68 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3fhq s LEU 296 Cb -0.03 -1.58 0.04 0.00 0.50 0.00 0.00 46.19 45.12 3fhq s LEU 296 CO 0.46 0.32 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.86 3fhq s GLY 297 N -0.55 1.27 -0.39 7.98 0.00 0.80 -1.27 107.32 115.16 3fhq s GLY 297 Ca 0.08 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.47 3fhq s GLY 297 CO 0.01 0.62 0.32 1.08 0.00 0.00 0.00 173.10 175.13 3fhq s LEU 298 N 1.39 4.85 -0.18 0.66 1.43 -0.17 0.77 118.68 127.43 3fhq s LEU 298 Ca 0.00 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.18 3fhq s LEU 298 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3fhq s LEU 298 CO -0.09 -0.41 0.83 -0.47 0.23 0.00 0.00 176.35 176.44 3fhq s TYR 299 N 1.82 3.40 -0.84 0.29 5.04 0.21 -0.96 117.35 126.29 3fhq s TYR 299 Ca 0.07 1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 55.91 3fhq s TYR 299 Cb -0.18 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.11 3fhq s TYR 299 CO 0.11 -0.27 0.72 0.54 -1.34 0.00 0.00 175.55 175.31 3fhq n ARG 300 N 5.37 -4.81 0.11 4.97 5.12 0.99 -2.07 116.66 126.34 3fhq n ARG 300 Ca 0.05 0.56 0.06 0.00 -1.93 0.00 0.00 57.85 56.58 3fhq n ARG 300 Cb 0.49 -4.75 0.30 0.00 -1.16 0.00 0.00 32.46 27.33 3fhq n ARG 300 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3fhq n PRO 301 N -3.27 0.07 0.00 5.56 -0.02 -1.26 -1.04 135.00 135.05 3fhq n PRO 301 Ca -0.11 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3fhq n PRO 301 Cb 0.58 -1.88 0.44 0.00 -0.02 0.00 0.00 33.50 32.62 3fhq n PRO 301 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3fhq n ASP 302 N -1.88 0.00 -0.35 2.55 5.75 -1.26 -2.16 116.55 119.20 3fhq n ASP 302 Ca -0.01 -1.08 0.25 0.00 -0.01 0.00 0.00 54.79 53.94 3fhq n ASP 302 Cb 0.16 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.74 3fhq n ASP 302 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3fhq h TRP 303 N 0.00 0.85 -0.44 2.11 7.01 -1.33 -0.30 115.95 123.84 3fhq h TRP 303 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3fhq h TRP 303 Cb 0.00 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 3fhq h TRP 303 CO 0.00 -0.11 0.18 0.00 -2.79 0.00 0.00 178.44 175.72 3fhq h ALA 304 N 1.77 1.49 0.18 2.65 0.00 -1.72 -0.06 119.26 123.57 3fhq h ALA 304 Ca 0.71 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 55.25 3fhq h ALA 304 Cb 1.71 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.34 3fhq h ALA 304 CO -0.52 0.40 -1.18 0.35 0.00 0.00 0.00 179.25 178.30 3fhq h PHE 305 N 0.63 0.69 0.00 0.00 3.57 -1.43 -3.34 116.94 117.05 3fhq h PHE 305 Ca 0.15 -0.50 0.00 0.00 3.53 0.00 0.00 57.97 61.15 3fhq h PHE 305 Cb 0.12 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3fhq h PHE 305 CO 0.01 1.45 -0.40 1.96 -2.23 0.00 0.00 178.31 179.10 3fhq h GLN 306 N -0.17 0.00 -0.11 1.11 4.20 -0.79 -2.92 115.11 116.44 3fhq h GLN 306 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3fhq h GLN 306 Cb 1.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.64 3fhq h GLN 306 CO 0.18 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.21 3fhq n SER 307 N -2.73 2.43 -4.69 1.46 3.41 -0.06 -4.94 113.62 108.51 3fhq n SER 307 Ca 0.03 -1.81 -0.23 0.00 -0.26 0.00 0.00 58.87 56.60 3fhq n SER 307 Cb 0.51 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 3fhq n SER 307 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3fhq s SER 308 N -1.84 4.77 -0.03 4.04 0.01 -1.10 -5.03 113.70 114.51 3fhq s SER 308 Ca 0.34 -0.55 0.12 0.00 1.31 0.00 0.00 55.95 57.16 3fhq s SER 308 Cb 0.20 -0.97 -0.18 0.00 0.21 0.00 0.00 66.02 65.28 3fhq s SER 308 CO 0.31 -0.01 0.24 -0.62 0.41 0.00 0.00 173.24 173.57 3fhq n GLU 309 N -0.95 0.57 -4.23 12.44 -0.58 -1.26 -4.96 120.64 121.66 3fhq n GLU 309 Ca -0.07 -0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.40 3fhq n GLU 309 Cb 0.59 -1.29 -0.13 0.00 -0.57 0.00 0.00 31.44 30.04 3fhq n GLU 309 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fhq s THR 310 N -2.77 0.83 0.32 2.62 -4.23 -1.26 -5.03 115.64 106.11 3fhq s THR 310 Ca -0.05 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 3fhq s THR 310 Cb 0.07 -0.79 0.32 0.00 1.34 0.00 0.00 72.50 73.44 3fhq s THR 310 CO 0.50 -0.10 1.67 -0.03 -0.54 0.00 0.00 174.62 176.11 3fhq h MET 311 N 4.95 0.31 -0.32 3.99 4.05 -1.95 0.48 114.93 126.44 3fhq h MET 311 Ca -0.36 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 58.94 3fhq h MET 311 Cb 1.19 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 3fhq h MET 311 CO 0.44 0.21 -0.19 0.93 0.23 0.00 0.00 176.91 178.53 3fhq h GLU 312 N 0.32 0.69 -0.46 0.39 5.08 -1.98 0.99 114.58 119.61 3fhq h GLU 312 Ca 0.65 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 3fhq h GLU 312 Cb 1.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3fhq h GLU 312 CO -0.60 0.92 -0.01 0.00 -1.00 0.00 0.00 179.01 178.31 3fhq h ALA 313 N 0.76 0.62 -0.23 3.43 0.00 -1.70 -0.79 119.26 121.35 3fhq h ALA 313 Ca 0.07 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3fhq h ALA 313 Cb 0.73 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3fhq h ALA 313 CO 0.05 0.42 -0.01 0.35 0.00 0.00 0.00 179.25 180.07 3fhq h PHE 314 N 0.66 -0.04 -0.22 0.00 3.57 -0.74 -1.24 116.94 118.95 3fhq h PHE 314 Ca 0.13 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3fhq h PHE 314 Cb 0.52 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3fhq h PHE 314 CO 0.04 -0.05 -0.09 1.88 -2.23 0.00 0.00 178.31 177.86 3fhq h TYR 315 N 0.06 0.35 -0.18 0.41 -1.99 -0.62 -2.15 116.97 112.85 3fhq h TYR 315 Ca 0.11 -0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.68 3fhq h TYR 315 Cb 0.15 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3fhq h TYR 315 CO -0.20 0.43 -0.36 1.49 -0.00 0.00 0.00 178.16 179.52 3fhq h GLU 316 N 0.33 0.57 -0.07 4.88 4.81 -0.90 -2.70 114.58 121.49 3fhq h GLU 316 Ca 0.07 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 3fhq h GLU 316 Cb 0.36 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3fhq h GLU 316 CO 0.02 0.98 -0.13 0.87 -0.73 0.00 0.00 179.01 180.02 3fhq h LYS 317 N 0.23 0.11 -0.25 1.92 1.57 -1.13 -0.46 116.57 118.56 3fhq h LYS 317 Ca 0.01 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3fhq h LYS 317 Cb 0.96 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3fhq h LYS 317 CO 0.08 0.25 -0.57 0.93 -0.57 0.00 0.00 179.45 179.57 3fhq h GLU 318 N 0.11 0.78 -0.03 3.15 5.08 -1.34 -1.24 114.58 121.10 3fhq h GLU 318 Ca 0.02 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3fhq h GLU 318 Cb 0.31 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fhq h GLU 318 CO 0.02 1.13 0.01 1.25 -1.00 0.00 0.00 179.01 180.43 3fhq h LEU 319 N 0.59 0.03 -2.16 1.33 6.46 -1.10 0.51 115.31 120.97 3fhq h LEU 319 Ca 0.01 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3fhq h LEU 319 Cb 1.16 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 3fhq h LEU 319 CO 0.12 0.15 0.01 1.56 -0.62 0.00 0.00 178.44 179.66 3fhq h GLN 320 N -0.08 0.00 0.01 1.25 4.20 -1.04 0.23 115.11 119.68 3fhq h GLN 320 Ca 0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3fhq h GLN 320 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3fhq h GLN 320 CO -0.00 0.00 -0.83 0.35 -0.67 0.00 0.00 178.83 177.68 3fhq h PHE 321 N 0.00 0.06 0.00 2.96 3.04 -0.93 -2.76 116.94 119.31 3fhq h PHE 321 Ca 0.01 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.78 3fhq h PHE 321 Cb 0.03 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3fhq h PHE 321 CO 0.00 1.32 -1.02 -1.49 -2.02 0.00 0.00 178.31 175.10 3fhq h TRP 322 N -0.91 0.00 0.00 0.41 4.06 -0.79 -3.24 115.95 115.48 3fhq h TRP 322 Ca -0.22 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.56 3fhq h TRP 322 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 3fhq h TRP 322 CO 0.17 0.53 -1.64 0.28 -3.56 0.00 0.00 178.44 174.22 3fhq n VAL 323 N -3.02 0.64 0.00 1.49 0.31 0.75 -1.76 118.33 116.74 3fhq n VAL 323 Ca -0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3fhq n VAL 323 Cb 0.79 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 3fhq n VAL 323 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fhq n GLY 324 N 2.75 0.98 0.24 2.92 0.00 -0.91 -4.56 105.19 106.61 3fhq n GLY 324 Ca -0.18 -2.25 0.16 0.00 0.00 0.00 0.00 46.02 43.75 3fhq n GLY 324 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fhq h SER 325 N 0.00 0.00 0.09 1.61 0.02 -1.78 -2.88 113.55 110.62 3fhq h SER 325 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3fhq h SER 325 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3fhq h SER 325 CO 0.00 0.00 -0.34 0.74 -1.14 0.00 0.00 176.83 176.09 3fhq h THR 326 N 0.00 1.29 -0.13 -2.27 2.02 -1.85 -3.46 112.91 108.49 3fhq h THR 326 Ca 0.00 -1.40 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 3fhq h THR 326 Cb 0.42 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3fhq h THR 326 CO 0.00 0.43 -0.05 0.61 0.37 0.00 0.00 175.52 176.88 3fhq n GLY 327 N -0.27 0.57 2.67 2.16 0.00 -1.09 -4.99 105.19 104.25 3fhq n GLY 327 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3fhq n GLY 327 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fhq s ASN 328 N -2.38 2.18 0.62 1.61 3.84 -1.26 -0.82 114.94 118.72 3fhq s ASN 328 Ca 0.00 -0.69 0.30 0.00 0.21 0.00 0.00 52.86 52.68 3fhq s ASN 328 Cb 0.00 0.11 1.61 0.00 -0.55 0.00 0.00 41.25 42.42 3fhq s ASN 328 CO 0.00 -0.37 1.96 1.55 -2.79 0.00 0.00 177.10 177.45 3fhq h PRO 329 N 8.35 0.00 0.00 0.43 0.13 -1.80 -0.30 132.00 138.81 3fhq h PRO 329 Ca -0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.83 3fhq h PRO 329 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3fhq h PRO 329 CO 0.34 0.00 -1.07 0.00 -0.23 0.00 0.00 178.00 177.04 3fhq h ALA 330 N 1.50 0.65 -2.52 -0.56 0.00 -1.92 -3.40 119.26 113.00 3fhq h ALA 330 Ca 0.10 -0.66 -0.64 0.00 0.00 0.00 0.00 54.91 53.71 3fhq h ALA 330 Cb 0.80 0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 3fhq h ALA 330 CO -0.00 0.77 -0.39 0.39 0.00 0.00 0.00 179.25 180.02 3fhq n GLU 331 N -3.00 2.53 -3.58 0.00 -0.58 -0.12 -4.64 120.64 111.24 3fhq n GLU 331 Ca -0.05 -4.59 -0.35 0.00 -0.42 0.00 0.00 57.16 51.75 3fhq n GLU 331 Cb 0.79 -2.31 -0.05 0.00 -0.57 0.00 0.00 31.44 29.29 3fhq n GLU 331 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fhq s THR 332 N -2.07 5.10 -0.82 2.62 -4.23 -1.25 -4.70 115.64 110.28 3fhq s THR 332 Ca 0.33 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 61.13 3fhq s THR 332 Cb 0.05 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.43 3fhq s THR 332 CO -0.06 0.31 0.86 -0.62 -0.54 0.00 0.00 174.62 174.57 3fhq s ASP 333 N -1.72 6.64 0.00 3.99 2.15 -1.26 -4.89 116.67 121.58 3fhq s ASP 333 Ca 0.32 -2.32 0.11 0.00 0.43 0.00 0.00 52.55 51.09 3fhq s ASP 333 Cb -0.14 -2.28 0.51 0.00 -0.30 0.00 0.00 42.92 40.72 3fhq s ASP 333 CO 0.18 -0.79 1.33 0.61 -0.17 0.00 0.00 175.17 176.32 3fhq n GLY 334 N 4.63 -0.82 0.25 2.66 0.00 -1.26 -1.12 105.19 109.54 3fhq n GLY 334 Ca 0.14 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3fhq n GLY 334 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fhq n GLN 335 N -1.43 0.71 -2.08 1.61 1.13 -1.26 -4.89 117.38 111.16 3fhq n GLN 335 Ca 0.04 -0.51 -0.36 0.00 -1.94 0.00 0.00 57.00 54.23 3fhq n GLN 335 Cb 0.12 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.00 3fhq n GLN 335 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3fhq s SER 336 N -2.65 5.35 0.36 1.08 0.15 -0.28 -4.91 113.70 112.79 3fhq s SER 336 Ca 0.18 2.33 0.08 0.00 0.70 0.00 0.00 55.95 59.23 3fhq s SER 336 Cb 0.18 -2.59 0.78 0.00 -1.71 0.00 0.00 66.02 62.68 3fhq s SER 336 CO 0.62 -1.48 1.90 0.78 1.20 0.00 0.00 173.24 176.26 3fhq h ASN 337 N 0.97 0.67 -3.62 5.45 2.35 -1.93 -3.30 115.58 116.17 3fhq h ASN 337 Ca -0.50 0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 54.65 3fhq h ASN 337 Cb 1.29 -0.11 -0.40 0.00 0.05 0.00 0.00 38.32 39.14 3fhq h ASN 337 CO 0.56 0.37 -0.70 0.86 -1.65 0.00 0.00 177.43 176.87 3fhq s TRP 338 N -5.68 2.49 0.44 1.19 -0.11 -1.26 -4.80 118.94 111.21 3fhq s TRP 338 Ca -0.10 -2.76 0.29 0.00 1.22 0.00 0.00 56.10 54.75 3fhq s TRP 338 Cb 0.21 -2.21 1.56 0.00 -1.50 0.00 0.00 33.47 31.53 3fhq s TRP 338 CO 0.78 -0.74 2.11 -1.35 -4.62 0.00 0.00 176.95 173.14 3fhq h PRO 339 N 6.41 0.00 0.00 5.86 0.11 -1.75 -3.40 132.00 139.22 3fhq h PRO 339 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3fhq h PRO 339 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3fhq h PRO 339 CO 0.57 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 3fhq n GLY 340 N -0.77 0.17 0.19 -0.55 0.00 -1.26 -4.33 105.19 98.64 3fhq n GLY 340 Ca -0.02 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.35 3fhq n GLY 340 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3fhq h MET 341 N 0.00 0.00 0.00 1.61 2.86 -1.38 -1.99 114.93 116.04 3fhq h MET 341 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fhq h MET 341 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fhq h MET 341 CO 0.00 0.37 -0.05 0.00 1.06 0.00 0.00 176.91 178.29 3fhq h ALA 342 N 1.63 1.36 -0.39 6.32 0.00 -1.56 0.80 119.26 127.41 3fhq h ALA 342 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fhq h ALA 342 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3fhq h ALA 342 CO 0.05 0.06 0.26 1.25 0.00 0.00 0.00 179.25 180.87 3fhq h HIS 343 N 0.00 0.48 0.00 0.00 6.17 -1.55 -3.32 115.15 116.93 3fhq h HIS 343 Ca -0.00 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 3fhq h HIS 343 Cb 0.15 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 29.92 3fhq h HIS 343 CO 0.00 0.29 -1.33 0.91 0.71 0.00 0.00 177.93 178.51 3fhq n TRP 344 N -4.48 0.00 -4.67 5.26 8.01 -0.47 -3.28 117.44 117.81 3fhq n TRP 344 Ca 0.03 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.92 3fhq n TRP 344 Cb 0.08 -0.18 -0.17 0.00 -2.01 0.00 0.00 31.31 29.04 3fhq n TRP 344 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 3fhq s PHE 345 N -2.44 2.34 0.53 -5.99 0.08 0.15 -2.30 117.98 110.35 3fhq s PHE 345 Ca -0.03 -1.11 -0.22 0.00 0.12 0.00 0.00 56.93 55.70 3fhq s PHE 345 Cb 0.04 -1.62 -0.06 0.00 -0.57 0.00 0.00 43.02 40.82 3fhq s PHE 345 CO 0.28 -0.52 1.31 -2.30 -0.10 0.00 0.00 175.22 173.89 3fhq n PRO 346 N 4.02 1.65 -2.89 0.24 -0.02 -1.26 -4.46 135.00 132.29 3fhq n PRO 346 Ca -0.20 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 3fhq n PRO 346 Cb 0.52 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3fhq n PRO 346 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fhq s ALA 347 N -1.30 3.38 0.21 3.55 0.00 -1.26 -4.73 121.76 121.61 3fhq s ALA 347 Ca 0.70 0.44 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3fhq s ALA 347 Cb -0.43 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3fhq s ALA 347 CO 0.50 0.18 0.13 0.15 0.00 0.00 0.00 175.76 176.72 3fhq s LYS 348 N -0.76 2.79 0.01 0.00 -0.14 -0.15 -0.43 119.74 121.06 3fhq s LYS 348 Ca 0.39 -1.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.00 3fhq s LYS 348 Cb -0.23 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 3fhq s LYS 348 CO 0.28 0.44 -0.05 0.45 -0.76 0.00 0.00 175.35 175.70 3fhq s SER 349 N -3.42 0.56 -0.10 2.83 0.15 0.32 -4.52 113.70 109.52 3fhq s SER 349 Ca 0.31 -0.22 0.15 0.00 0.70 0.00 0.00 55.95 56.89 3fhq s SER 349 Cb -0.09 -0.02 0.50 0.00 -1.71 0.00 0.00 66.02 64.70 3fhq s SER 349 CO 0.23 -0.04 1.42 1.07 1.20 0.00 0.00 173.24 177.12 3fhq n THR 350 N 2.50 1.70 -1.48 6.45 5.66 -1.26 -0.41 114.28 127.44 3fhq n THR 350 Ca -0.16 -1.37 -0.40 0.00 -3.05 0.00 0.00 64.05 59.07 3fhq n THR 350 Cb 0.57 0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.46 3fhq n THR 350 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fhq n ALA 351 N 0.30 6.90 -0.24 1.79 0.00 -1.26 -4.46 120.51 123.54 3fhq n ALA 351 Ca 0.19 -3.67 0.01 0.00 0.00 0.00 0.00 53.44 49.96 3fhq n ALA 351 Cb 0.72 -3.40 0.01 0.00 0.00 0.00 0.00 19.45 16.79 3fhq n ALA 351 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fhq n THR 352 N 3.96 0.95 -3.73 0.00 -2.24 -1.26 -1.35 114.28 110.61 3fhq n THR 352 Ca 0.69 -0.99 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3fhq n THR 352 Cb 0.28 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 3fhq n THR 352 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fhq s SER 353 N -1.05 -0.39 -0.12 3.42 0.15 -1.25 -4.71 113.70 109.75 3fhq s SER 353 Ca 0.03 0.69 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 3fhq s SER 353 Cb 0.03 0.73 -0.05 0.00 -1.71 0.00 0.00 66.02 65.02 3fhq s SER 353 CO 0.00 -0.20 0.24 -0.69 1.20 0.00 0.00 173.24 173.79 3fhq s VAL 354 N -0.08 5.33 0.33 4.45 1.01 -1.26 -3.07 120.40 127.11 3fhq s VAL 354 Ca -0.03 0.45 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 3fhq s VAL 354 Cb -0.03 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3fhq s VAL 354 CO 0.01 0.52 0.99 -2.16 0.00 0.00 0.00 175.10 174.47 3fhq s PRO 355 N -0.42 4.51 -0.21 2.72 0.05 -1.26 -5.10 135.00 135.29 3fhq s PRO 355 Ca 0.16 1.46 -0.07 0.00 0.05 0.00 0.00 61.00 62.61 3fhq s PRO 355 Cb -0.13 -2.84 -0.03 0.00 0.05 0.00 0.00 34.50 31.55 3fhq s PRO 355 CO 0.05 0.18 0.05 0.12 0.05 0.00 0.00 177.00 177.46 3fhq s PHE 356 N -1.52 3.14 -0.01 0.56 5.36 -0.13 -4.99 117.98 120.38 3fhq s PHE 356 Ca 0.50 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 3fhq s PHE 356 Cb -0.22 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3fhq s PHE 356 CO 0.28 -0.11 -0.01 0.08 -1.46 0.00 0.00 175.22 174.00 3fhq s VAL 357 N 0.96 0.14 -0.06 3.12 1.01 -1.26 -0.82 120.40 123.50 3fhq s VAL 357 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3fhq s VAL 357 Cb -0.14 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3fhq s VAL 357 CO 0.03 0.09 0.19 0.28 0.00 0.00 0.00 175.10 175.69 3fhq s THR 358 N 0.51 0.02 -0.38 3.92 -1.32 -0.46 -4.77 115.64 113.16 3fhq s THR 358 Ca -0.05 -0.14 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 3fhq s THR 358 Cb -0.07 -0.32 0.12 0.00 -1.51 0.00 0.00 72.50 70.71 3fhq s THR 358 CO -0.01 -0.08 1.09 1.41 -2.21 0.00 0.00 174.62 174.82 3fhq n HIS 359 N 2.63 0.18 -3.19 9.09 8.25 -1.26 -1.14 115.22 129.79 3fhq n HIS 359 Ca -0.15 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.59 3fhq n HIS 359 Cb 0.58 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.69 3fhq n HIS 359 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fhq n PHE 360 N -0.08 -2.13 -2.30 4.41 3.72 -1.26 -4.56 117.46 115.26 3fhq n PHE 360 Ca 0.05 0.62 -0.43 0.00 -0.05 0.00 0.00 57.45 57.64 3fhq n PHE 360 Cb 0.32 -4.44 -0.02 0.00 -0.94 0.00 0.00 39.48 34.40 3fhq n PHE 360 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3fhq s ASN 361 N -2.83 6.85 0.00 4.37 3.84 -1.26 -4.20 114.94 121.71 3fhq s ASN 361 Ca 0.38 1.85 0.27 0.00 0.21 0.00 0.00 52.86 55.57 3fhq s ASN 361 Cb -0.17 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.91 3fhq s ASN 361 CO 0.46 -0.82 1.68 0.35 -2.79 0.00 0.00 177.10 175.99 3fhq n THR 362 N 5.43 0.00 0.00 -5.21 -2.24 -1.26 -0.97 114.28 110.02 3fhq n THR 362 Ca 0.15 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3fhq n THR 362 Cb 0.44 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3fhq n THR 362 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fhq n GLY 363 N 1.41 2.01 3.43 3.38 0.00 -1.26 -4.80 105.19 109.35 3fhq n GLY 363 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3fhq n GLY 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 364 N -1.63 0.20 0.11 1.61 1.04 -1.26 -0.14 113.70 113.63 3fhq s SER 364 Ca 0.00 -1.20 -0.25 0.00 0.48 0.00 0.00 55.95 54.98 3fhq s SER 364 Cb 0.00 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.72 3fhq s SER 364 CO 0.00 -1.06 0.76 -0.83 0.98 0.00 0.00 173.24 173.10 3fhq s GLY 365 N -3.11 -0.47 0.00 7.32 0.00 0.10 -4.60 107.32 106.56 3fhq s GLY 365 Ca 0.30 0.58 0.28 0.00 0.00 0.00 0.00 44.72 45.89 3fhq s GLY 365 CO 0.12 0.19 1.77 0.00 0.00 0.00 0.00 173.10 175.19 3fhq n ALA 366 N -0.34 2.60 -3.56 3.20 0.00 -1.26 -1.46 120.51 119.68 3fhq n ALA 366 Ca -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.84 3fhq n ALA 366 Cb 0.63 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 3fhq n ALA 366 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3fhq s GLN 367 N -2.02 0.60 -0.06 0.00 -0.44 -1.23 -3.74 119.66 112.76 3fhq s GLN 367 Ca 0.38 -0.23 0.00 0.00 -2.50 0.00 0.00 55.36 53.01 3fhq s GLN 367 Cb 0.21 0.27 0.02 0.00 -1.64 0.00 0.00 33.01 31.87 3fhq s GLN 367 CO 0.34 -0.26 -0.05 0.12 0.50 0.00 0.00 175.29 175.94 3fhq s PHE 368 N -2.80 0.93 0.05 1.67 2.19 -0.49 -4.15 117.98 115.37 3fhq s PHE 368 Ca 0.08 -0.32 0.04 0.00 0.33 0.00 0.00 56.93 57.06 3fhq s PHE 368 Cb -0.01 -0.84 -0.04 0.00 -1.31 0.00 0.00 43.02 40.83 3fhq s PHE 368 CO -0.06 -0.29 -0.04 -1.12 1.83 0.00 0.00 175.22 175.54 3fhq s SER 369 N 1.27 4.78 -0.08 6.13 0.01 0.15 -0.32 113.70 125.65 3fhq s SER 369 Ca -0.05 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.06 3fhq s SER 369 Cb -0.14 -1.11 0.01 0.00 0.21 0.00 0.00 66.02 64.99 3fhq s SER 369 CO -0.02 0.23 -0.15 0.00 0.41 0.00 0.00 173.24 173.71 3fhq s ALA 370 N -1.15 1.53 -1.34 1.44 0.00 0.31 -1.05 121.76 121.50 3fhq s ALA 370 Ca 0.21 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 3fhq s ALA 370 Cb -0.11 -0.66 0.12 0.00 0.00 0.00 0.00 23.12 22.47 3fhq s ALA 370 CO 0.12 0.12 0.51 0.39 0.00 0.00 0.00 175.76 176.91 3fhq n GLU 371 N 3.82 -2.64 -0.53 0.00 1.02 -0.60 -0.96 120.64 120.75 3fhq n GLU 371 Ca -0.21 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3fhq n GLU 371 Cb 0.52 -4.96 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 3fhq n GLU 371 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 372 N -1.10 1.11 3.55 0.62 0.00 -0.47 -4.50 105.19 104.41 3fhq n GLY 372 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3fhq n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fhq s LYS 373 N -0.32 3.23 0.14 1.61 1.02 -0.14 -4.92 119.74 120.37 3fhq s LYS 373 Ca 0.00 -0.52 -0.31 0.00 0.02 0.00 0.00 55.97 55.16 3fhq s LYS 373 Cb 0.00 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 3fhq s LYS 373 CO 0.00 0.46 1.75 0.99 -0.92 0.00 0.00 175.35 177.63 3fhq s THR 374 N -0.24 2.49 -0.04 2.17 2.01 -1.26 -0.53 115.64 120.23 3fhq s THR 374 Ca 0.04 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.18 3fhq s THR 374 Cb -0.13 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.30 3fhq s THR 374 CO 0.02 0.00 0.68 1.33 -0.69 0.00 0.00 174.62 175.97 3fhq n VAL 375 N 4.48 0.34 -3.63 3.82 0.24 0.57 -4.89 118.33 119.26 3fhq n VAL 375 Ca 0.17 -0.67 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 3fhq n VAL 375 Cb 0.38 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 3fhq n VAL 375 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fhq s SER 376 N -0.36 -0.76 0.00 -1.34 0.15 -1.11 -0.14 113.70 110.14 3fhq s SER 376 Ca 0.01 1.37 0.22 0.00 0.70 0.00 0.00 55.95 58.25 3fhq s SER 376 Cb 0.00 1.37 0.62 0.00 -1.71 0.00 0.00 66.02 66.30 3fhq s SER 376 CO 0.00 -0.23 1.49 -0.62 1.20 0.00 0.00 173.24 175.09 3fhq n GLU 377 N 3.12 2.02 -3.10 5.44 -0.58 -1.26 -1.40 120.64 124.87 3fhq n GLU 377 Ca -0.16 -1.52 -0.37 0.00 -0.42 0.00 0.00 57.16 54.70 3fhq n GLU 377 Cb 0.56 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.93 3fhq n GLU 377 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3fhq s GLN 378 N -1.73 4.28 0.61 3.49 -1.52 -1.26 -4.57 119.66 118.96 3fhq s GLN 378 Ca 0.34 0.89 -0.18 0.00 -1.95 0.00 0.00 55.36 54.46 3fhq s GLN 378 Cb 0.20 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 30.00 3fhq s GLN 378 CO 0.29 0.43 0.99 0.39 -0.25 0.00 0.00 175.29 177.13 3fhq n GLU 379 N 0.87 0.89 -3.60 2.91 1.02 -1.25 -3.54 120.64 117.94 3fhq n GLU 379 Ca -0.03 0.35 -0.15 0.00 -0.02 0.00 0.00 57.16 57.30 3fhq n GLU 379 Cb 0.51 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 3fhq n GLU 379 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 3fhq s TRP 380 N -1.51 -0.46 0.02 -0.32 1.48 -0.54 -3.95 118.94 113.67 3fhq s TRP 380 Ca 0.77 0.67 0.03 0.00 -1.06 0.00 0.00 56.10 56.51 3fhq s TRP 380 Cb -0.41 0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 32.20 3fhq s TRP 380 CO 0.46 -0.57 -0.10 0.54 -4.06 0.00 0.00 176.95 173.22 3fhq s ASN 381 N -1.54 1.14 -0.38 -2.66 2.20 0.53 -0.72 114.94 113.51 3fhq s ASN 381 Ca -0.09 -0.34 0.06 0.00 -0.94 0.00 0.00 52.86 51.55 3fhq s ASN 381 Cb -0.01 -0.07 0.18 0.00 -2.00 0.00 0.00 41.25 39.35 3fhq s ASN 381 CO 0.04 0.00 0.66 0.21 -2.94 0.00 0.00 177.10 175.08 3fhq s ASN 382 N -0.82 -1.44 0.00 3.54 3.84 0.81 -1.99 114.94 118.87 3fhq s ASN 382 Ca -0.01 -0.56 0.15 0.00 0.21 0.00 0.00 52.86 52.65 3fhq s ASN 382 Cb -0.06 1.85 0.89 0.00 -0.55 0.00 0.00 41.25 43.37 3fhq s ASN 382 CO 0.00 -0.18 1.32 0.54 -2.79 0.00 0.00 177.10 175.99 3fhq n ARG 383 N 4.54 0.45 0.28 0.43 1.74 -1.25 -0.53 116.66 122.32 3fhq n ARG 383 Ca 0.10 0.01 0.18 0.00 -0.77 0.00 0.00 57.85 57.37 3fhq n ARG 383 Cb 0.57 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.25 3fhq n ARG 383 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3fhq h SER 384 N 0.00 0.00 -0.02 0.55 0.02 -1.87 -2.88 113.55 109.36 3fhq h SER 384 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fhq h SER 384 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3fhq h SER 384 CO 0.00 0.00 -0.08 0.18 -1.14 0.00 0.00 176.83 175.79 3fhq n LEU 385 N -3.09 2.58 -4.69 5.07 4.77 0.30 -4.85 117.00 117.10 3fhq n LEU 385 Ca 0.00 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.69 3fhq n LEU 385 Cb 0.28 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3fhq n LEU 385 CO 0.26 0.44 1.27 -1.58 -1.33 0.00 0.00 177.39 176.45 3fhq s GLN 386 N -2.09 4.22 0.74 3.23 0.74 -1.09 -4.65 119.66 120.77 3fhq s GLN 386 Ca 0.28 2.25 -0.11 0.00 0.05 0.00 0.00 55.36 57.82 3fhq s GLN 386 Cb 0.20 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.80 3fhq s GLN 386 CO 0.35 -0.68 1.09 -0.51 -0.55 0.00 0.00 175.29 175.00 3fhq s ASP 387 N 2.15 5.11 -0.16 6.67 1.01 -0.15 -4.90 116.67 126.41 3fhq s ASP 387 Ca 0.71 1.22 -0.29 0.00 0.71 0.00 0.00 52.55 54.90 3fhq s ASP 387 Cb -0.38 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3fhq s ASP 387 CO 0.31 -1.56 1.69 -0.69 0.21 0.00 0.00 175.17 175.12 3fhq s VAL 388 N -3.27 3.58 0.39 -1.27 1.01 -1.26 -4.87 120.40 114.70 3fhq s VAL 388 Ca 0.59 0.67 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3fhq s VAL 388 Cb -0.12 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3fhq s VAL 388 CO 0.53 -0.18 0.56 -0.76 0.00 0.00 0.00 175.10 175.25 3fhq s LEU 389 N 5.03 3.82 -0.06 3.92 1.43 -1.26 -4.84 118.68 126.72 3fhq s LEU 389 Ca 0.75 0.04 -0.37 0.00 -1.03 0.00 0.00 54.13 53.52 3fhq s LEU 389 Cb -0.29 -2.94 -0.15 0.00 0.03 0.00 0.00 46.19 42.84 3fhq s LEU 389 CO 0.30 -0.56 1.64 -2.65 0.23 0.00 0.00 176.35 175.32 3fhq n PRO 390 N -1.85 1.58 -0.34 1.29 -0.02 -1.26 -4.85 135.00 129.56 3fhq n PRO 390 Ca 0.00 0.57 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 3fhq n PRO 390 Cb 0.58 -2.30 0.38 0.00 -0.02 0.00 0.00 33.50 32.14 3fhq n PRO 390 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3fhq h THR 391 N 4.50 0.02 -3.35 3.45 2.02 -1.61 -3.40 112.91 114.53 3fhq h THR 391 Ca -0.47 -0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.06 3fhq h THR 391 Cb 1.30 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.47 3fhq h THR 391 CO 0.90 0.00 -0.71 0.26 0.37 0.00 0.00 175.52 176.34 3fhq s TRP 392 N -5.85 2.95 -0.43 3.16 0.51 -1.06 -4.95 118.94 113.26 3fhq s TRP 392 Ca -0.12 -0.59 0.02 0.00 -2.12 0.00 0.00 56.10 53.29 3fhq s TRP 392 Cb 0.31 -1.99 0.13 0.00 -0.81 0.00 0.00 33.47 31.11 3fhq s TRP 392 CO 0.78 -0.25 0.22 1.03 -0.51 0.00 0.00 176.95 178.22 3fhq s ARG 393 N 0.76 1.29 0.01 4.98 1.81 -1.26 -4.35 118.95 122.20 3fhq s ARG 393 Ca -0.02 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.02 3fhq s ARG 393 Cb -0.15 -2.39 -0.01 0.00 -0.45 0.00 0.00 34.95 31.95 3fhq s ARG 393 CO 0.02 -1.14 -0.02 -1.58 -0.68 0.00 0.00 175.30 171.89 3fhq s TRP 394 N 0.42 0.21 -0.32 -0.53 0.52 -0.00 -4.25 118.94 114.98 3fhq s TRP 394 Ca 0.17 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 55.92 3fhq s TRP 394 Cb -0.24 -0.15 0.07 0.00 -1.15 0.00 0.00 33.47 32.00 3fhq s TRP 394 CO -0.01 -0.12 0.04 0.42 0.02 0.00 0.00 176.95 177.29 3fhq s ILE 395 N -1.00 2.92 0.31 2.03 1.01 -1.26 -4.30 121.20 120.91 3fhq s ILE 395 Ca -0.11 -1.64 0.10 0.00 0.00 0.00 0.00 60.65 59.00 3fhq s ILE 395 Cb -0.07 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 3fhq s ILE 395 CO -0.01 -0.28 -0.13 -1.10 0.00 0.00 0.00 174.94 173.42 3fhq s GLN 396 N 1.18 1.71 -0.04 2.79 -0.21 -1.26 -1.34 119.66 122.50 3fhq s GLN 396 Ca -0.01 -1.84 0.01 0.00 0.02 0.00 0.00 55.36 53.54 3fhq s GLN 396 Cb -0.20 -1.65 0.02 0.00 1.00 0.00 0.00 33.01 32.18 3fhq s GLN 396 CO -0.03 0.21 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.29 3fhq s HIS 397 N -2.63 0.72 0.19 0.91 3.76 -0.02 -4.97 115.29 113.26 3fhq s HIS 397 Ca 0.31 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3fhq s HIS 397 Cb -0.00 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 33.07 3fhq s HIS 397 CO 0.15 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 3fhq n GLY 398 N 3.86 -2.52 0.76 -2.22 0.00 -1.26 -1.40 105.19 102.42 3fhq n GLY 398 Ca -0.24 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.55 3fhq n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 399 N -3.00 -1.91 2.63 -0.02 0.00 -1.24 -4.60 105.19 97.05 3fhq n GLY 399 Ca -0.02 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3fhq n GLY 399 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fhq n ASP 400 N -3.04 4.42 -4.66 1.61 2.03 -0.18 -5.05 116.55 111.68 3fhq n ASP 400 Ca -0.01 -3.41 -0.26 0.00 0.52 0.00 0.00 54.79 51.63 3fhq n ASP 400 Cb 0.35 -0.85 -0.08 0.00 -0.72 0.00 0.00 41.12 39.83 3fhq n ASP 400 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fhq s LEU 401 N -2.45 3.31 0.03 -2.67 1.02 -1.26 -1.87 118.68 114.79 3fhq s LEU 401 Ca 0.36 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 54.18 3fhq s LEU 401 Cb 0.10 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3fhq s LEU 401 CO 0.00 0.08 -0.22 -0.70 0.02 0.00 0.00 176.35 175.53 3fhq s GLU 402 N -3.00 1.58 -0.06 1.70 2.12 0.78 -4.95 118.70 116.86 3fhq s GLU 402 Ca 0.28 -0.94 0.05 0.00 0.36 0.00 0.00 54.97 54.72 3fhq s GLU 402 Cb -0.09 -1.67 -0.01 0.00 0.26 0.00 0.00 34.13 32.62 3fhq s GLU 402 CO 0.19 0.44 -0.23 0.00 -0.54 0.00 0.00 175.26 175.12 3fhq s ALA 403 N -0.72 2.27 0.33 6.30 0.00 -1.26 -1.18 121.76 127.49 3fhq s ALA 403 Ca 0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 3fhq s ALA 403 Cb -0.09 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3fhq s ALA 403 CO 0.01 0.42 0.71 -0.08 0.00 0.00 0.00 175.76 176.82 3fhq s THR 404 N -0.19 0.00 0.16 0.00 -1.32 -0.53 -4.99 115.64 108.78 3fhq s THR 404 Ca -0.02 -1.08 -0.20 0.00 -1.21 0.00 0.00 61.69 59.17 3fhq s THR 404 Cb -0.14 -2.45 -0.08 0.00 -1.51 0.00 0.00 72.50 68.33 3fhq s THR 404 CO 0.03 0.00 0.68 -0.36 -2.21 0.00 0.00 174.62 172.76 3fhq s PHE 405 N -3.17 3.75 -0.05 9.09 0.08 -1.26 -0.30 117.98 126.11 3fhq s PHE 405 Ca 0.15 1.38 0.04 0.00 0.12 0.00 0.00 56.93 58.62 3fhq s PHE 405 Cb -0.05 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 3fhq s PHE 405 CO 0.10 0.45 -0.16 0.45 -0.10 0.00 0.00 175.22 175.96 3fhq s SER 406 N -1.40 3.88 -0.09 1.36 0.15 -0.16 -4.82 113.70 112.61 3fhq s SER 406 Ca 0.37 -0.25 0.14 0.00 0.70 0.00 0.00 55.95 56.91 3fhq s SER 406 Cb -0.19 -0.84 0.45 0.00 -1.71 0.00 0.00 66.02 63.73 3fhq s SER 406 CO 0.22 0.33 1.37 0.79 1.20 0.00 0.00 173.24 177.14 3fhq n TRP 407 N 2.44 0.79 -0.01 3.44 8.01 -1.26 -1.41 117.44 129.42 3fhq n TRP 407 Ca -0.17 -0.68 -0.05 0.00 -1.31 0.00 0.00 57.50 55.29 3fhq n TRP 407 Cb 0.52 -0.18 -0.12 0.00 -2.01 0.00 0.00 31.31 29.52 3fhq n TRP 407 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3fhq n GLU 408 N 0.11 0.64 -4.44 -0.99 -0.58 -1.26 -4.59 120.64 109.53 3fhq n GLU 408 Ca 0.17 0.19 -0.21 0.00 -0.42 0.00 0.00 57.16 56.89 3fhq n GLU 408 Cb 0.69 -1.74 -0.16 0.00 -0.57 0.00 0.00 31.44 29.66 3fhq n GLU 408 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3fhq s GLU 409 N -2.75 1.09 -0.05 3.49 0.41 -1.26 -5.10 118.70 114.53 3fhq s GLU 409 Ca -0.05 -0.34 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 3fhq s GLU 409 Cb 0.08 -1.00 0.03 0.00 -1.78 0.00 0.00 34.13 31.46 3fhq s GLU 409 CO 0.82 0.12 0.35 0.00 -0.49 0.00 0.00 175.26 176.06 3fhq s ALA 410 N 0.22 -0.89 -0.21 5.21 0.00 -1.26 -2.24 121.76 122.60 3fhq s ALA 410 Ca -0.04 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 3fhq s ALA 410 Cb -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.82 3fhq s ALA 410 CO 0.01 -0.25 -0.22 0.34 0.00 0.00 0.00 175.76 175.64 3fhq n PHE 411 N 1.61 0.00 -3.70 0.00 -0.00 -1.26 -4.22 117.46 109.88 3fhq n PHE 411 Ca -0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.01 3fhq n PHE 411 Cb 0.56 -0.80 -0.17 0.00 -0.00 0.00 0.00 39.48 39.07 3fhq n PHE 411 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3fhq s GLU 412 N -2.41 0.35 0.00 -4.13 0.41 -1.26 -1.37 118.70 110.28 3fhq s GLU 412 Ca -0.29 0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.27 3fhq s GLU 412 Cb 0.09 -1.33 0.00 0.00 -1.78 0.00 0.00 34.13 31.11 3fhq s GLU 412 CO 0.45 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.16 3fhq n GLY 413 N 5.19 0.98 0.00 -1.39 0.00 -0.21 -4.67 105.19 105.08 3fhq n GLY 413 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3fhq n GLY 413 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 414 N 0.00 0.15 3.28 -0.02 0.00 -1.26 0.35 105.19 107.68 3fhq n GLY 414 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3fhq n GLY 414 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 415 N -0.33 -0.00 0.25 1.61 1.04 -1.26 -4.52 113.70 110.49 3fhq s SER 415 Ca 0.00 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.83 3fhq s SER 415 Cb 0.00 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3fhq s SER 415 CO 0.00 -0.81 0.14 -0.94 0.98 0.00 0.00 173.24 172.61 3fhq s SER 416 N -2.87 0.87 -0.28 7.02 1.04 -0.50 -4.50 113.70 114.47 3fhq s SER 416 Ca 0.07 -1.46 -0.16 0.00 0.48 0.00 0.00 55.95 54.88 3fhq s SER 416 Cb 0.04 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3fhq s SER 416 CO -0.09 -0.84 0.44 -0.22 0.98 0.00 0.00 173.24 173.51 3fhq s LEU 417 N -3.27 4.09 -0.19 2.42 2.96 -0.45 -0.99 118.68 123.25 3fhq s LEU 417 Ca 0.38 0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 54.50 3fhq s LEU 417 Cb 0.06 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 3fhq s LEU 417 CO 0.15 -0.26 0.15 -1.58 -1.32 0.00 0.00 176.35 173.49 3fhq s GLN 418 N 2.19 4.16 -0.23 1.98 0.74 0.58 -0.96 119.66 128.12 3fhq s GLN 418 Ca 0.17 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.39 3fhq s GLN 418 Cb -0.16 -3.41 0.07 0.00 1.10 0.00 0.00 33.01 30.61 3fhq s GLN 418 CO 0.10 0.32 0.03 -0.46 -0.55 0.00 0.00 175.29 174.73 3fhq s TRP 419 N 0.30 1.47 0.05 1.67 -0.00 -0.14 -1.45 118.94 120.84 3fhq s TRP 419 Ca 0.09 -1.25 -0.14 0.00 -0.00 0.00 0.00 56.10 54.80 3fhq s TRP 419 Cb -0.11 -1.30 0.02 0.00 -0.00 0.00 0.00 33.47 32.08 3fhq s TRP 419 CO -0.01 -0.71 0.32 -3.38 -0.00 0.00 0.00 176.95 173.17 3fhq s HIS 420 N 1.71 -0.13 -1.52 5.86 -3.43 -0.32 -0.03 115.29 117.42 3fhq s HIS 420 Ca 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 3fhq s HIS 420 Cb -0.17 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 3fhq s HIS 420 CO -0.12 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 3fhq n GLY 421 N 0.51 0.41 3.60 -1.38 0.00 0.61 -0.16 105.19 108.78 3fhq n GLY 421 Ca -0.18 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 3fhq n GLY 421 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fhq s SER 422 N -4.00 5.46 -0.19 1.61 0.01 -0.78 -1.02 113.70 114.78 3fhq s SER 422 Ca 0.00 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 3fhq s SER 422 Cb 0.00 -1.93 0.07 0.00 0.21 0.00 0.00 66.02 64.37 3fhq s SER 422 CO 0.00 0.17 0.08 -0.22 0.41 0.00 0.00 173.24 173.68 3fhq s LEU 423 N 0.38 0.58 0.53 2.44 2.96 0.62 -1.01 118.68 125.17 3fhq s LEU 423 Ca 0.02 -0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 52.96 3fhq s LEU 423 Cb -0.13 -0.34 -0.06 0.00 0.50 0.00 0.00 46.19 46.17 3fhq s LEU 423 CO 0.01 -0.35 1.23 0.00 -1.32 0.00 0.00 176.35 175.91 3fhq s ALA 424 N 2.07 2.79 0.16 5.97 0.00 -1.26 -3.79 121.76 127.70 3fhq s ALA 424 Ca 0.02 1.05 -0.33 0.00 0.00 0.00 0.00 51.96 52.71 3fhq s ALA 424 Cb -0.16 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.35 3fhq s ALA 424 CO -0.12 -1.00 1.11 -1.91 0.00 0.00 0.00 175.76 173.84 3fhq n GLU 425 N -1.00 0.96 0.00 0.00 2.13 -1.14 -1.32 120.64 120.27 3fhq n GLU 425 Ca 0.10 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3fhq n GLU 425 Cb 0.48 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.38 3fhq n GLU 425 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fhq n GLY 426 N 1.97 3.00 3.85 8.31 0.00 -0.69 -4.90 105.19 116.73 3fhq n GLY 426 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3fhq n GLY 426 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fhq s GLU 427 N -0.00 3.96 0.17 1.61 2.12 -0.43 -4.81 118.70 121.31 3fhq s GLU 427 Ca 0.00 0.58 0.06 0.00 0.36 0.00 0.00 54.97 55.97 3fhq s GLU 427 Cb 0.00 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 3fhq s GLU 427 CO 0.00 0.20 0.09 -1.01 -0.54 0.00 0.00 175.26 173.99 3fhq s HIS 428 N -1.94 3.04 -0.09 5.30 3.76 -1.26 -1.32 115.29 122.78 3fhq s HIS 428 Ca 0.52 -0.06 -0.10 0.00 -0.15 0.00 0.00 55.06 55.27 3fhq s HIS 428 Cb -0.10 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.15 3fhq s HIS 428 CO 0.18 0.52 0.28 0.00 -0.85 0.00 0.00 174.74 174.87 3fhq s ALA 429 N -1.74 -0.69 0.08 -1.40 0.00 -0.39 -3.63 121.76 114.00 3fhq s ALA 429 Ca 0.30 0.70 0.06 0.00 0.00 0.00 0.00 51.96 53.02 3fhq s ALA 429 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3fhq s ALA 429 CO 0.22 -0.15 -0.16 -0.65 0.00 0.00 0.00 175.76 175.02 3fhq s GLN 430 N -0.06 0.91 -0.12 0.00 1.11 -0.49 -1.07 119.66 119.94 3fhq s GLN 430 Ca -0.02 -1.02 -0.01 0.00 0.01 0.00 0.00 55.36 54.32 3fhq s GLN 430 Cb -0.03 -0.97 0.03 0.00 -1.01 0.00 0.00 33.01 31.03 3fhq s GLN 430 CO 0.01 0.22 -0.05 -1.50 0.01 0.00 0.00 175.29 173.97 3fhq s ILE 431 N -1.30 0.92 -0.26 1.08 2.07 -0.04 -0.84 121.20 122.83 3fhq s ILE 431 Ca 0.01 -0.30 -0.18 0.00 -1.41 0.00 0.00 60.65 58.77 3fhq s ILE 431 Cb -0.10 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 3fhq s ILE 431 CO 0.03 0.28 0.51 -1.61 -1.91 0.00 0.00 174.94 172.23 3fhq s GLU 432 N 1.74 4.06 -0.21 3.50 2.02 -0.45 -0.85 118.70 128.51 3fhq s GLU 432 Ca 0.04 0.30 -0.06 0.00 0.02 0.00 0.00 54.97 55.26 3fhq s GLU 432 Cb -0.13 -3.66 -0.11 0.00 0.10 0.00 0.00 34.13 30.34 3fhq s GLU 432 CO -0.08 -0.35 -0.24 1.28 0.02 0.00 0.00 175.26 175.90 3fhq n LEU 433 N 5.53 2.05 -4.09 1.80 4.77 -0.42 -4.25 117.00 122.39 3fhq n LEU 433 Ca -0.04 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 3fhq n LEU 433 Cb 0.50 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 3fhq n LEU 433 CO 0.40 0.59 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.24 3fhq s TYR 434 N -2.39 1.73 0.02 -1.77 1.51 -0.69 -1.46 117.35 114.30 3fhq s TYR 434 Ca -0.28 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 54.89 3fhq s TYR 434 Cb 0.10 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3fhq s TYR 434 CO 0.40 -0.26 0.89 -1.14 -1.11 0.00 0.00 175.55 174.33 3fhq s GLN 435 N 0.40 4.56 0.29 -0.62 2.00 -1.26 -1.03 119.66 123.99 3fhq s GLN 435 Ca -0.12 1.27 0.03 0.00 -2.00 0.00 0.00 55.36 54.54 3fhq s GLN 435 Cb -0.15 -3.42 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 3fhq s GLN 435 CO 0.04 0.08 0.26 0.95 -0.50 0.00 0.00 175.29 176.13 3fhq s THR 436 N 0.58 0.00 -0.48 -0.34 -4.23 -0.27 -4.60 115.64 106.29 3fhq s THR 436 Ca 0.46 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 3fhq s THR 436 Cb -0.21 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.31 3fhq s THR 436 CO 0.26 0.00 0.61 1.21 -0.54 0.00 0.00 174.62 176.16 3fhq n GLU 437 N -0.50 0.43 -4.00 3.99 2.13 -0.45 -4.16 120.64 118.08 3fhq n GLU 437 Ca 0.05 -2.40 -0.33 0.00 0.66 0.00 0.00 57.16 55.14 3fhq n GLU 437 Cb 0.63 -1.53 -0.14 0.00 0.27 0.00 0.00 31.44 30.67 3fhq n GLU 437 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3fhq s LEU 438 N 0.60 3.81 -0.02 4.31 1.43 0.09 -3.86 118.68 125.04 3fhq s LEU 438 Ca 0.31 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 3fhq s LEU 438 Cb 0.01 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 3fhq s LEU 438 CO -0.10 -0.25 1.74 -2.84 0.23 0.00 0.00 176.35 175.14 3fhq s PRO 439 N 1.14 4.17 0.05 1.29 0.02 -1.26 -0.80 135.00 139.60 3fhq s PRO 439 Ca -0.05 2.32 -0.24 0.00 0.02 0.00 0.00 61.00 63.05 3fhq s PRO 439 Cb -0.20 -4.00 -0.06 0.00 0.02 0.00 0.00 34.50 30.26 3fhq s PRO 439 CO -0.04 -0.87 0.74 0.42 -0.33 0.00 0.00 177.00 176.92 3fhq s ILE 440 N 4.04 4.73 0.18 2.83 1.01 0.09 -4.91 121.20 129.18 3fhq s ILE 440 Ca 0.78 1.57 0.01 0.00 0.00 0.00 0.00 60.65 63.00 3fhq s ILE 440 Cb -0.37 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3fhq s ILE 440 CO 0.33 0.39 0.04 -0.94 0.00 0.00 0.00 174.94 174.76 3fhq s SER 441 N -0.16 0.92 0.37 3.58 1.04 -1.26 -0.81 113.70 117.37 3fhq s SER 441 Ca 0.37 -1.24 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 3fhq s SER 441 Cb -0.20 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 65.99 3fhq s SER 441 CO 0.22 -0.66 1.37 -0.62 0.98 0.00 0.00 173.24 174.54 3fhq n GLU 442 N -0.25 2.33 -0.03 4.02 1.02 -1.26 -1.57 120.64 124.90 3fhq n GLU 442 Ca -0.04 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3fhq n GLU 442 Cb 0.64 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 3fhq n GLU 442 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 443 N 0.64 1.14 3.68 0.62 0.00 -1.26 -5.03 105.19 104.97 3fhq n GLY 443 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3fhq n GLY 443 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fhq s THR 444 N -2.42 4.91 0.20 2.61 2.01 -0.61 -4.92 115.64 117.42 3fhq s THR 444 Ca 0.00 1.63 0.10 0.00 0.31 0.00 0.00 61.69 63.73 3fhq s THR 444 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3fhq s THR 444 CO 0.00 0.08 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.36 3fhq s SER 445 N 1.09 3.14 -0.29 3.53 0.01 0.42 -1.80 113.70 119.78 3fhq s SER 445 Ca 0.39 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 3fhq s SER 445 Cb -0.17 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 3fhq s SER 445 CO 0.15 0.03 0.20 -0.76 0.41 0.00 0.00 173.24 173.26 3fhq s LEU 446 N -2.86 4.11 0.17 2.44 1.43 0.39 -1.31 118.68 123.06 3fhq s LEU 446 Ca 0.21 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 3fhq s LEU 446 Cb -0.06 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3fhq s LEU 446 CO 0.09 -0.09 -0.13 0.42 0.23 0.00 0.00 176.35 176.87 3fhq s THR 447 N 1.74 3.00 0.07 5.49 -4.23 0.02 0.50 115.64 122.23 3fhq s THR 447 Ca 0.07 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 3fhq s THR 447 Cb -0.16 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.27 3fhq s THR 447 CO 0.11 -0.08 0.57 -1.66 -0.54 0.00 0.00 174.62 173.01 3fhq s TRP 448 N -1.61 -0.49 -0.04 3.99 -2.14 -0.79 -1.11 118.94 116.74 3fhq s TRP 448 Ca 0.23 0.52 -0.00 0.00 2.66 0.00 0.00 56.10 59.51 3fhq s TRP 448 Cb -0.09 0.41 0.03 0.00 -3.10 0.00 0.00 33.47 30.72 3fhq s TRP 448 CO 0.13 -0.70 0.01 0.99 -2.66 0.00 0.00 176.95 174.73 3fhq s THR 449 N -2.67 0.15 0.13 0.66 2.01 0.33 -1.15 115.64 115.10 3fhq s THR 449 Ca -0.04 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3fhq s THR 449 Cb -0.00 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 3fhq s THR 449 CO -0.03 0.17 0.23 0.72 -0.69 0.00 0.00 174.62 175.02 3fhq s PHE 450 N 1.46 0.34 0.08 4.92 -0.71 -0.27 0.20 117.98 123.99 3fhq s PHE 450 Ca -0.04 -0.73 0.05 0.00 -1.04 0.00 0.00 56.93 55.18 3fhq s PHE 450 Cb -0.13 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3fhq s PHE 450 CO -0.03 -0.63 -0.03 0.15 -1.34 0.00 0.00 175.22 173.34 3fhq s LYS 451 N -3.93 2.43 -0.17 1.99 1.02 0.97 -0.46 119.74 121.59 3fhq s LYS 451 Ca 0.13 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 3fhq s LYS 451 Cb 0.04 -2.47 0.05 0.00 -0.52 0.00 0.00 37.83 34.93 3fhq s LYS 451 CO -0.04 0.54 0.00 0.45 -0.92 0.00 0.00 175.35 175.38 3fhq s SER 452 N -2.19 2.77 0.44 2.83 0.15 -1.26 -1.75 113.70 114.69 3fhq s SER 452 Ca 0.24 -0.71 0.30 0.00 0.70 0.00 0.00 55.95 56.48 3fhq s SER 452 Cb -0.11 -0.69 1.40 0.00 -1.71 0.00 0.00 66.02 64.90 3fhq s SER 452 CO 0.16 -0.26 1.91 -0.33 1.20 0.00 0.00 173.24 175.92 3fhq h GLU 453 N 8.20 0.00 0.00 5.44 4.39 -1.66 -2.95 114.58 128.00 3fhq h GLU 453 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3fhq h GLU 453 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3fhq h GLU 453 CO 0.35 0.00 -0.07 0.72 -1.16 0.00 0.00 179.01 178.84 3fhq n HIS 454 N -2.67 0.00 -0.02 4.33 8.25 -1.26 -4.99 115.22 118.85 3fhq n HIS 454 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3fhq n HIS 454 Cb 0.20 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3fhq n HIS 454 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3fhq n ASP 455 N -0.66 0.00 -4.53 0.41 8.00 -1.12 -4.96 116.55 113.70 3fhq n ASP 455 Ca 0.05 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 3fhq n ASP 455 Cb 0.48 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.50 3fhq n ASP 455 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fhq n ASN 456 N 0.00 -0.23 -4.89 -2.24 4.13 -1.26 -4.96 115.26 105.81 3fhq n ASN 456 Ca 0.00 0.79 -0.29 0.00 1.68 0.00 0.00 54.58 56.76 3fhq n ASN 456 Cb 0.00 -1.26 -0.01 0.00 -1.54 0.00 0.00 39.78 36.97 3fhq n ASN 456 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3fhq s ASP 457 N -1.16 6.38 -0.31 6.41 2.15 -1.26 -4.80 116.67 124.07 3fhq s ASP 457 Ca 0.71 1.04 -0.05 0.00 0.43 0.00 0.00 52.55 54.68 3fhq s ASP 457 Cb -0.45 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 39.91 3fhq s ASP 457 CO 0.52 -0.51 0.06 -0.22 -0.17 0.00 0.00 175.17 174.85 3fhq s LEU 458 N -4.34 4.04 0.44 -1.34 2.96 -1.26 -4.51 118.68 114.66 3fhq s LEU 458 Ca 0.49 -1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 3fhq s LEU 458 Cb -0.10 -1.82 -0.08 0.00 0.50 0.00 0.00 46.19 44.69 3fhq s LEU 458 CO 0.39 -0.27 0.86 0.20 -1.32 0.00 0.00 176.35 176.21 3fhq s ASN 459 N 1.38 6.63 0.11 3.68 0.01 0.69 -4.81 114.94 122.62 3fhq s ASN 459 Ca -0.02 1.37 -0.03 0.00 -0.71 0.00 0.00 52.86 53.47 3fhq s ASN 459 Cb -0.19 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 3fhq s ASN 459 CO 0.01 -0.44 0.31 0.54 -1.51 0.00 0.00 177.10 176.01 3fhq s VAL 460 N -2.40 5.25 -0.05 1.60 0.11 -0.90 -1.61 120.40 122.40 3fhq s VAL 460 Ca 0.55 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.53 3fhq s VAL 460 Cb -0.10 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 3fhq s VAL 460 CO 0.28 0.08 -0.21 -0.83 -3.33 0.00 0.00 175.10 171.09 3fhq s GLY 461 N -2.46 1.11 -0.00 6.54 0.00 0.20 -1.98 107.32 110.73 3fhq s GLY 461 Ca 0.39 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3fhq s GLY 461 CO 0.26 -0.48 -0.04 -0.11 0.00 0.00 0.00 173.10 172.73 3fhq s PHE 462 N -0.02 0.34 -0.14 1.90 -0.12 -0.73 -0.14 117.98 119.08 3fhq s PHE 462 Ca -0.05 -0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.73 3fhq s PHE 462 Cb -0.13 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.01 3fhq s PHE 462 CO 0.03 -0.01 -0.03 0.50 -0.05 0.00 0.00 175.22 175.67 3fhq s ARG 463 N -0.11 3.49 0.01 1.99 3.52 -0.45 -0.37 118.95 127.03 3fhq s ARG 463 Ca 0.01 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3fhq s ARG 463 Cb -0.02 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3fhq s ARG 463 CO -0.00 0.37 0.16 -0.51 -0.81 0.00 0.00 175.30 174.51 3fhq s LEU 464 N 0.03 4.25 -0.02 -0.88 1.43 -1.26 -0.16 118.68 122.07 3fhq s LEU 464 Ca 0.01 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3fhq s LEU 464 Cb -0.13 -2.62 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 3fhq s LEU 464 CO 0.02 0.24 1.70 -0.62 0.23 0.00 0.00 176.35 177.92 3fhq s ASP 465 N -2.05 6.63 0.00 2.29 -1.08 0.44 -4.81 116.67 118.09 3fhq s ASP 465 Ca 0.28 2.33 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 3fhq s ASP 465 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3fhq s ASP 465 CO 0.20 -0.94 0.00 0.61 0.52 0.00 0.00 175.17 175.56 3fhq n GLY 466 N 4.17 0.73 1.35 2.66 0.00 -1.26 -4.77 105.19 108.07 3fhq n GLY 466 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fhq n GLY 466 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fhq n ASP 469 N 0.00 -7.41 -4.84 1.61 2.03 -1.26 -5.18 116.55 101.50 3fhq n ASP 469 Ca 0.00 0.99 -0.35 0.00 0.52 0.00 0.00 54.79 55.95 3fhq n ASP 469 Cb 0.00 -3.47 -0.06 0.00 -0.72 0.00 0.00 41.12 36.87 3fhq n ASP 469 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3fhq s PHE 470 N -1.97 3.59 -0.37 -0.67 0.08 -1.26 -4.52 117.98 112.86 3fhq s PHE 470 Ca 0.00 1.14 -0.16 0.00 0.12 0.00 0.00 56.93 58.04 3fhq s PHE 470 Cb 0.00 -2.44 -0.00 0.00 -0.57 0.00 0.00 43.02 40.01 3fhq s PHE 470 CO 0.00 0.37 0.38 1.03 -0.10 0.00 0.00 175.22 176.90 3fhq s ARG 471 N -2.08 3.42 -0.28 0.44 1.81 0.50 -4.90 118.95 117.86 3fhq s ARG 471 Ca 0.41 -0.53 -0.11 0.00 -1.72 0.00 0.00 55.73 53.78 3fhq s ARG 471 Cb -0.15 -3.85 -0.05 0.00 -0.45 0.00 0.00 34.95 30.45 3fhq s ARG 471 CO 0.20 -0.62 0.19 0.71 -0.68 0.00 0.00 175.30 175.10 3fhq s TYR 472 N 2.03 3.22 0.12 -0.53 2.02 -1.26 -1.77 117.35 121.18 3fhq s TYR 472 Ca 0.12 0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.95 3fhq s TYR 472 Cb -0.17 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3fhq s TYR 472 CO 0.12 -0.16 -0.06 0.14 -1.57 0.00 0.00 175.55 174.02 3fhq s VAL 473 N 1.74 0.79 0.22 0.71 -7.23 -0.84 -5.00 120.40 110.78 3fhq s VAL 473 Ca 0.07 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3fhq s VAL 473 Cb -0.16 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.96 3fhq s VAL 473 CO 0.11 -0.80 0.49 -1.83 -0.31 0.00 0.00 175.10 172.75 3fhq s GLU 474 N -3.83 3.67 1.09 4.82 -1.05 -1.26 -2.12 118.70 120.02 3fhq s GLU 474 Ca 0.14 0.03 -0.13 0.00 -0.15 0.00 0.00 54.97 54.86 3fhq s GLU 474 Cb 0.05 -2.72 0.22 0.00 -0.44 0.00 0.00 34.13 31.23 3fhq s GLU 474 CO -0.03 0.33 0.89 0.41 0.95 0.00 0.00 175.26 177.81 3fhq n GLY 475 N -0.37 -1.67 0.14 -3.83 0.00 -1.26 -4.97 105.19 93.22 3fhq n GLY 475 Ca -0.01 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 3fhq n GLY 475 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fhq n GLU 476 N -4.24 0.61 -4.39 1.61 2.13 -0.33 -4.94 120.64 111.10 3fhq n GLU 476 Ca 0.05 0.22 -0.33 0.00 0.66 0.00 0.00 57.16 57.76 3fhq n GLU 476 Cb 0.54 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.61 3fhq n GLU 476 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3fhq s GLN 477 N -2.51 3.19 -0.03 5.31 2.00 -0.85 -4.97 119.66 121.81 3fhq s GLN 477 Ca -0.37 -0.75 -0.02 0.00 -2.00 0.00 0.00 55.36 52.21 3fhq s GLN 477 Cb 0.13 -2.66 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 3fhq s GLN 477 CO 0.53 -0.05 0.12 0.50 -0.50 0.00 0.00 175.29 175.89 3fhq s ARG 478 N 0.97 3.26 -0.05 1.67 3.52 -1.26 -1.16 118.95 125.90 3fhq s ARG 478 Ca -0.02 -0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3fhq s ARG 478 Cb -0.15 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3fhq s ARG 478 CO -0.03 0.68 0.12 -2.00 -0.81 0.00 0.00 175.30 173.26 3fhq s GLU 479 N -1.67 0.14 -0.18 5.12 2.12 -0.40 -4.98 118.70 118.85 3fhq s GLU 479 Ca 0.23 0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.65 3fhq s GLU 479 Cb -0.12 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 3fhq s GLU 479 CO 0.14 -0.02 0.10 -1.12 -0.54 0.00 0.00 175.26 173.82 3fhq s SER 480 N 0.09 5.97 -0.22 -1.70 0.01 -1.26 -0.52 113.70 116.07 3fhq s SER 480 Ca -0.00 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.42 3fhq s SER 480 Cb -0.01 -2.02 0.07 0.00 0.21 0.00 0.00 66.02 64.27 3fhq s SER 480 CO 0.00 0.21 0.09 -0.63 0.41 0.00 0.00 173.24 173.32 3fhq s ILE 481 N 0.18 0.17 -1.66 1.44 1.01 -0.10 -4.89 121.20 117.35 3fhq s ILE 481 Ca 0.07 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 3fhq s ILE 481 Cb -0.12 -0.91 0.17 0.00 0.01 0.00 0.00 42.46 41.61 3fhq s ILE 481 CO -0.00 -0.42 0.70 0.59 0.00 0.00 0.00 174.94 175.80 3fhq n ASN 482 N 5.17 -3.00 0.00 3.58 3.02 -1.26 -0.40 115.26 122.36 3fhq n ASN 482 Ca -0.07 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3fhq n ASN 482 Cb 0.46 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 3fhq n ASN 482 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhq n GLY 483 N -1.27 0.28 3.92 7.41 0.00 -1.26 -4.82 105.19 109.45 3fhq n GLY 483 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3fhq n GLY 483 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fhq s TRP 484 N -2.07 3.52 -0.20 1.61 0.52 0.46 -4.76 118.94 118.03 3fhq s TRP 484 Ca 0.00 0.27 -0.07 0.00 0.02 0.00 0.00 56.10 56.32 3fhq s TRP 484 Cb 0.00 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 3fhq s TRP 484 CO 0.00 0.60 0.04 0.99 0.02 0.00 0.00 176.95 178.60 3fhq s THR 485 N -1.48 4.45 -0.25 2.01 2.01 0.40 -0.93 115.64 121.84 3fhq s THR 485 Ca 0.34 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 3fhq s THR 485 Cb -0.13 -3.01 0.04 0.00 0.01 0.00 0.00 72.50 69.40 3fhq s THR 485 CO 0.27 0.43 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.97 3fhq s GLN 486 N 0.74 2.63 0.15 4.92 0.74 0.32 -1.12 119.66 128.05 3fhq s GLN 486 Ca 0.02 -1.11 -0.14 0.00 0.05 0.00 0.00 55.36 54.19 3fhq s GLN 486 Cb -0.14 -2.96 -0.07 0.00 1.10 0.00 0.00 33.01 30.95 3fhq s GLN 486 CO 0.02 -0.46 0.55 -1.58 -0.55 0.00 0.00 175.29 173.26 3fhq s TRP 487 N 1.25 3.59 -0.11 1.67 0.52 -0.30 -1.27 118.94 124.29 3fhq s TRP 487 Ca -0.03 1.04 0.03 0.00 0.02 0.00 0.00 56.10 57.16 3fhq s TRP 487 Cb -0.18 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.80 3fhq s TRP 487 CO -0.05 0.42 -0.19 0.99 0.02 0.00 0.00 176.95 178.14 3fhq s THR 488 N -1.49 1.73 -0.31 2.01 2.01 -0.31 -1.89 115.64 117.39 3fhq s THR 488 Ca 0.38 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.61 3fhq s THR 488 Cb -0.15 -1.54 0.09 0.00 0.01 0.00 0.00 72.50 70.91 3fhq s THR 488 CO 0.19 0.49 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.39 3fhq s LEU 489 N 0.71 4.09 0.46 4.42 2.96 0.18 -1.19 118.68 130.31 3fhq s LEU 489 Ca -0.12 -1.84 -0.25 0.00 -0.22 0.00 0.00 54.13 51.71 3fhq s LEU 489 Cb -0.16 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 44.92 3fhq s LEU 489 CO 0.02 -0.32 1.40 -2.84 -1.32 0.00 0.00 176.35 173.30 3fhq s PRO 490 N 1.03 3.64 -0.10 0.98 0.02 -1.26 -0.46 135.00 138.86 3fhq s PRO 490 Ca 0.04 2.37 0.14 0.00 0.02 0.00 0.00 61.00 63.56 3fhq s PRO 490 Cb -0.19 -2.61 0.25 0.00 0.02 0.00 0.00 34.50 31.96 3fhq s PRO 490 CO -0.08 -0.83 1.15 1.28 -0.33 0.00 0.00 177.00 178.19 3fhq n LEU 491 N -0.27 2.47 -0.26 -5.54 4.77 -0.75 -4.75 117.00 112.67 3fhq n LEU 491 Ca 0.06 -2.76 0.10 0.00 -0.03 0.00 0.00 56.01 53.37 3fhq n LEU 491 Cb 0.42 -0.33 0.35 0.00 -2.33 0.00 0.00 43.42 41.54 3fhq n LEU 491 CO 0.58 0.65 1.22 0.44 -1.33 0.00 0.00 177.39 178.95 3fhq h ASP 492 N 0.30 0.69 0.00 -1.43 3.45 -1.85 0.17 116.42 117.75 3fhq h ASP 492 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3fhq h ASP 492 Cb 0.91 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 3fhq h ASP 492 CO 0.03 0.38 0.08 0.00 -1.57 0.00 0.00 179.24 178.16 3fhq n ALA 493 N -2.43 0.85 -0.00 3.45 0.00 -1.26 -1.72 120.51 119.40 3fhq n ALA 493 Ca 0.16 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.64 3fhq n ALA 493 Cb 0.39 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.96 3fhq n ALA 493 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fhq n PHE 494 N -1.57 0.04 -1.61 0.00 3.01 0.59 -5.04 117.46 112.87 3fhq n PHE 494 Ca -0.00 -0.39 -0.47 0.00 1.01 0.00 0.00 57.45 57.59 3fhq n PHE 494 Cb 0.09 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.49 3fhq n PHE 494 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fhq n ALA 495 N -0.30 -0.06 0.00 4.37 0.00 -0.70 -0.75 120.51 123.08 3fhq n ALA 495 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3fhq n ALA 495 Cb 0.22 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3fhq n ALA 495 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhq n GLY 496 N 2.15 1.60 3.95 0.00 0.00 0.01 -4.96 105.19 107.93 3fhq n GLY 496 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3fhq n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fhq s GLN 497 N -0.97 2.45 -0.10 1.61 -1.52 0.07 -4.89 119.66 116.31 3fhq s GLN 497 Ca 0.00 -0.47 0.01 0.00 -1.95 0.00 0.00 55.36 52.95 3fhq s GLN 497 Cb 0.00 -2.33 0.02 0.00 -0.22 0.00 0.00 33.01 30.48 3fhq s GLN 497 CO 0.00 -0.92 -0.12 0.99 -0.25 0.00 0.00 175.29 174.99 3fhq s THR 498 N -2.98 1.24 0.04 -0.19 2.01 -1.26 -0.73 115.64 113.76 3fhq s THR 498 Ca 0.58 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 3fhq s THR 498 Cb -0.11 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3fhq s THR 498 CO 0.42 0.39 1.11 -0.63 -0.69 0.00 0.00 174.62 175.22 3fhq s ILE 499 N 1.21 4.37 -0.33 1.82 1.01 0.02 -0.42 121.20 128.89 3fhq s ILE 499 Ca -0.03 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.35 3fhq s ILE 499 Cb -0.14 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.29 3fhq s ILE 499 CO -0.04 0.13 0.79 0.35 0.00 0.00 0.00 174.94 176.17 3fhq n THR 500 N 3.92 0.40 -3.60 2.92 -2.24 0.78 -0.73 114.28 115.73 3fhq n THR 500 Ca 0.08 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 3fhq n THR 500 Cb 0.48 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 3fhq n THR 500 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fhq s GLY 501 N -0.55 -0.24 0.09 3.38 0.00 -1.20 -1.11 107.32 107.69 3fhq s GLY 501 Ca 0.05 2.27 0.08 0.00 0.00 0.00 0.00 44.72 47.11 3fhq s GLY 501 CO 0.04 1.38 -0.21 1.08 0.00 0.00 0.00 173.10 175.39 3fhq s LEU 502 N -0.52 2.26 0.30 0.66 1.43 -0.20 -1.34 118.68 121.26 3fhq s LEU 502 Ca -0.00 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 3fhq s LEU 502 Cb -0.02 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.31 3fhq s LEU 502 CO -0.01 0.09 0.72 0.00 0.23 0.00 0.00 176.35 177.38 3fhq s ALA 503 N -1.06 -1.12 0.17 4.21 0.00 0.81 -1.30 121.76 123.46 3fhq s ALA 503 Ca 0.07 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.68 3fhq s ALA 503 Cb -0.10 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3fhq s ALA 503 CO 0.04 -1.03 -0.09 -0.06 0.00 0.00 0.00 175.76 174.62 3fhq s PHE 504 N -3.68 1.40 -0.07 0.00 0.08 -0.03 0.63 117.98 116.31 3fhq s PHE 504 Ca 0.12 -0.75 -0.17 0.00 0.12 0.00 0.00 56.93 56.25 3fhq s PHE 504 Cb -0.06 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3fhq s PHE 504 CO 0.08 0.12 0.39 0.00 -0.10 0.00 0.00 175.22 175.71 3fhq s ALA 505 N -3.27 -0.99 0.06 5.36 0.00 -0.63 -0.86 121.76 121.42 3fhq s ALA 505 Ca 0.20 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3fhq s ALA 505 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3fhq s ALA 505 CO 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 175.76 175.50 3fhq s ALA 506 N -0.77 0.62 -0.10 0.00 0.00 -0.23 -0.22 121.76 121.06 3fhq s ALA 506 Ca -0.08 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.73 3fhq s ALA 506 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3fhq s ALA 506 CO 0.04 -0.29 -0.21 -2.00 0.00 0.00 0.00 175.76 173.29 3fhq s GLU 507 N -3.56 3.03 0.61 0.00 2.12 -1.26 -1.26 118.70 118.38 3fhq s GLU 507 Ca 0.06 -0.84 -0.17 0.00 0.36 0.00 0.00 54.97 54.38 3fhq s GLU 507 Cb 0.05 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 3fhq s GLU 507 CO -0.07 0.23 1.11 0.20 -0.54 0.00 0.00 175.26 176.19 3fhq s GLY 508 N 0.23 2.32 0.00 -1.50 0.00 -0.43 -4.77 107.32 103.17 3fhq s GLY 508 Ca -0.14 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.21 3fhq s GLY 508 CO 0.07 0.98 0.00 1.16 0.00 0.00 0.00 173.10 175.31 3fhq n ASN 509 N -1.98 1.80 -0.06 1.64 0.23 -1.26 -1.70 115.26 113.93 3fhq n ASN 509 Ca 0.11 -0.90 0.15 0.00 -0.53 0.00 0.00 54.58 53.41 3fhq n ASN 509 Cb 0.52 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.78 3fhq n ASN 509 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fhq h GLU 510 N 0.00 0.26 -0.98 -3.83 4.81 -1.94 0.95 114.58 113.84 3fhq h GLU 510 Ca 0.00 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.41 3fhq h GLU 510 Cb 0.00 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.23 3fhq h GLU 510 CO 0.00 0.17 0.61 1.15 -0.73 0.00 0.00 179.01 180.22 3fhq h THR 511 N 0.27 0.70 0.00 0.32 2.02 -1.92 -3.46 112.91 110.83 3fhq h THR 511 Ca 0.27 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3fhq h THR 511 Cb 0.71 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3fhq h THR 511 CO -0.06 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3fhq n GLY 512 N -1.38 1.36 3.61 2.16 0.00 0.32 -5.00 105.19 106.25 3fhq n GLY 512 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3fhq n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fhq s LEU 513 N 0.00 3.16 -0.01 0.99 1.02 -1.25 -0.28 118.68 122.31 3fhq s LEU 513 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.85 3fhq s LEU 513 Cb 0.00 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.27 3fhq s LEU 513 CO 0.00 0.18 -0.09 0.00 0.02 0.00 0.00 176.35 176.46 3fhq s ALA 514 N -1.24 0.79 -0.31 4.21 0.00 -0.19 -4.67 121.76 120.35 3fhq s ALA 514 Ca 0.23 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3fhq s ALA 514 Cb -0.11 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 22.92 3fhq s ALA 514 CO 0.15 0.17 0.36 -2.00 0.00 0.00 0.00 175.76 174.44 3fhq s GLU 515 N -0.06 0.44 -0.01 0.00 2.12 -1.26 -0.29 118.70 119.65 3fhq s GLU 515 Ca 0.01 -0.21 -0.00 0.00 0.36 0.00 0.00 54.97 55.12 3fhq s GLU 515 Cb -0.05 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.77 3fhq s GLU 515 CO -0.00 -1.07 0.07 -0.06 -0.54 0.00 0.00 175.26 173.65 3fhq s PHE 516 N 2.20 3.26 -0.12 5.30 0.08 0.96 -1.57 117.98 128.08 3fhq s PHE 516 Ca 0.11 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.37 3fhq s PHE 516 Cb -0.13 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3fhq s PHE 516 CO -0.25 0.54 -0.16 0.71 -0.10 0.00 0.00 175.22 175.96 3fhq s TYR 517 N -1.17 2.11 -0.15 0.36 1.51 -0.71 -0.97 117.35 118.33 3fhq s TYR 517 Ca 0.22 -1.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 3fhq s TYR 517 Cb -0.12 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 3fhq s TYR 517 CO 0.13 -0.51 -0.18 -0.08 -1.11 0.00 0.00 175.55 173.80 3fhq s THR 518 N 0.97 2.38 -0.20 -0.71 -1.32 -0.14 -0.02 115.64 116.60 3fhq s THR 518 Ca -0.06 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.57 3fhq s THR 518 Cb -0.15 -1.98 -0.00 0.00 -1.51 0.00 0.00 72.50 68.85 3fhq s THR 518 CO -0.02 0.53 0.33 0.61 -2.21 0.00 0.00 174.62 173.86 3fhq n GLY 519 N 4.09 -0.21 3.61 6.08 0.00 0.13 -1.34 105.19 117.56 3fhq n GLY 519 Ca -0.20 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 3fhq n GLY 519 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fhq s GLN 520 N -0.71 0.84 -0.09 1.61 1.03 -1.19 -4.29 119.66 116.85 3fhq s GLN 520 Ca 0.02 0.77 -0.08 0.00 0.04 0.00 0.00 55.36 56.12 3fhq s GLN 520 Cb 0.02 0.40 0.03 0.00 0.03 0.00 0.00 33.01 33.49 3fhq s GLN 520 CO 0.06 -0.14 0.24 -1.17 -2.54 0.00 0.00 175.29 171.74 3fhq s LEU 521 N -0.01 0.93 -0.16 2.60 2.96 -0.29 -0.51 118.68 124.20 3fhq s LEU 521 Ca -0.02 0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 54.10 3fhq s LEU 521 Cb -0.04 0.80 0.08 0.00 0.50 0.00 0.00 46.19 47.53 3fhq s LEU 521 CO 0.02 -0.10 0.76 0.00 -1.32 0.00 0.00 176.35 175.70 3fhq s ALA 522 N 0.39 -1.81 -0.21 5.97 0.00 -0.27 -1.35 121.76 124.48 3fhq s ALA 522 Ca -0.02 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3fhq s ALA 522 Cb -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3fhq s ALA 522 CO -0.02 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.31 3fhq s VAL 523 N -0.47 2.12 0.00 0.00 1.01 0.00 -0.80 120.40 122.27 3fhq s VAL 523 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3fhq s VAL 523 Cb -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3fhq s VAL 523 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3fhq n GLY 524 N 4.56 -0.53 3.65 4.51 0.00 -0.43 -0.96 105.19 116.00 3fhq n GLY 524 Ca -0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 3fhq n GLY 524 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fhq s PRO 530 N -0.46 0.02 0.41 1.61 0.02 -1.26 -0.44 135.00 134.90 3fhq s PRO 530 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 61.00 60.78 3fhq s PRO 530 Cb 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 34.50 34.44 3fhq s PRO 530 CO 0.00 -0.01 1.09 0.00 -0.33 0.00 0.00 177.00 177.75 3fhq s ALA 531 N -1.05 3.09 0.17 -1.55 0.00 -1.26 -4.37 121.76 116.78 3fhq s ALA 531 Ca 0.10 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.51 3fhq s ALA 531 Cb -0.01 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.65 3fhq s ALA 531 CO -0.08 -0.33 1.35 0.00 0.00 0.00 0.00 175.76 176.69 3fhq n ALA 532 N -0.08 0.06 -1.78 0.00 0.00 -1.26 -4.76 120.51 112.69 3fhq n ALA 532 Ca 0.05 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 3fhq n ALA 532 Cb 0.49 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 3fhq n ALA 532 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3fhq s PRO 533 N 0.06 4.15 -0.62 0.00 0.02 -1.26 -4.94 135.00 132.41 3fhq s PRO 533 Ca 0.76 2.52 -0.23 0.00 0.02 0.00 0.00 61.00 64.06 3fhq s PRO 533 Cb -0.79 -3.01 0.06 0.00 0.02 0.00 0.00 34.50 30.78 3fhq s PRO 533 CO 0.48 -0.52 0.96 1.21 -0.33 0.00 0.00 177.00 178.79 3fhq s ASN 534 N 0.06 6.23 -0.14 2.53 2.47 -1.26 -4.72 114.94 120.11 3fhq s ASN 534 Ca 0.56 -0.75 -0.02 0.00 0.42 0.00 0.00 52.86 53.07 3fhq s ASN 534 Cb -0.46 -2.43 -0.02 0.00 -1.45 0.00 0.00 41.25 36.89 3fhq s ASN 534 CO 0.56 -1.37 -0.08 -0.69 -3.72 0.00 0.00 177.10 171.79 3fhq s VAL 535 N 4.06 3.50 -0.02 -5.21 1.01 -1.26 -3.89 120.40 118.58 3fhq s VAL 535 Ca 0.25 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3fhq s VAL 535 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3fhq s VAL 535 CO 0.13 0.51 -0.13 0.20 0.00 0.00 0.00 175.10 175.81 3fhq s ASN 536 N 0.31 4.13 -0.30 3.32 0.01 0.05 -4.95 114.94 117.51 3fhq s ASN 536 Ca -0.07 -0.22 -0.21 0.00 -0.71 0.00 0.00 52.86 51.66 3fhq s ASN 536 Cb -0.15 -0.87 -0.01 0.00 0.41 0.00 0.00 41.25 40.64 3fhq s ASN 536 CO 0.04 0.32 0.67 -0.69 -1.51 0.00 0.00 177.10 175.93 3fhq s VAL 537 N -0.82 4.91 0.30 1.60 1.01 -1.26 -0.93 120.40 125.20 3fhq s VAL 537 Ca 0.13 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.19 3fhq s VAL 537 Cb -0.11 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3fhq s VAL 537 CO 0.03 -0.15 -0.13 -0.13 0.00 0.00 0.00 175.10 174.72 3fhq s ARG 538 N 2.68 1.84 0.29 2.72 1.81 -0.02 -4.99 118.95 123.29 3fhq s ARG 538 Ca 0.27 -1.75 -0.29 0.00 -1.72 0.00 0.00 55.73 52.24 3fhq s ARG 538 Cb -0.15 -1.83 -0.10 0.00 -0.45 0.00 0.00 34.95 32.42 3fhq s ARG 538 CO 0.11 0.28 1.34 -0.65 -0.68 0.00 0.00 175.30 175.70 3fhq s GLN 539 N -3.58 4.33 -0.65 3.54 -1.52 -1.26 -1.32 119.66 119.20 3fhq s GLN 539 Ca 0.31 2.22 -0.15 0.00 -1.95 0.00 0.00 55.36 55.80 3fhq s GLN 539 Cb -0.03 -3.09 0.17 0.00 -0.22 0.00 0.00 33.01 29.83 3fhq s GLN 539 CO 0.17 -0.26 0.60 -0.47 -0.25 0.00 0.00 175.29 175.07 3fhq s TYR 540 N -0.70 3.47 0.24 0.91 5.04 -1.26 -4.67 117.35 120.38 3fhq s TYR 540 Ca 0.53 -1.64 -0.12 0.00 -2.44 0.00 0.00 57.07 53.40 3fhq s TYR 540 Cb -0.40 -3.78 0.32 0.00 0.35 0.00 0.00 41.96 38.45 3fhq s TYR 540 CO 0.49 -1.00 1.59 -0.44 -1.34 0.00 0.00 175.55 174.85 3fhq h ASP 541 N 8.38 -0.83 0.16 4.32 3.32 -1.94 0.15 116.42 129.98 3fhq h ASP 541 Ca -0.12 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fhq h ASP 541 Cb 1.07 0.53 0.00 0.00 0.22 0.00 0.00 39.33 41.15 3fhq h ASP 541 CO 0.91 -0.27 0.00 -0.65 -1.72 0.00 0.00 179.24 177.50 3fhq h PRO 542 N -0.02 0.00 -2.77 3.56 0.11 -1.94 -3.30 132.00 127.64 3fhq h PRO 542 Ca 0.37 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.89 3fhq h PRO 542 Cb 0.59 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.31 3fhq h PRO 542 CO -0.83 0.00 -0.80 0.34 -0.21 0.00 0.00 178.00 176.50 3fhq s ASP 543 N -4.42 3.22 0.88 -2.05 2.15 0.53 -5.08 116.67 111.91 3fhq s ASP 543 Ca -0.02 -2.51 -0.10 0.00 0.43 0.00 0.00 52.55 50.34 3fhq s ASP 543 Cb 0.08 -0.74 0.13 0.00 -0.30 0.00 0.00 42.92 42.09 3fhq s ASP 543 CO 0.29 -0.27 1.14 -2.84 -0.17 0.00 0.00 175.17 173.33 3fhq s PRO 544 N 0.58 1.25 0.00 4.34 0.02 -1.25 -1.72 135.00 138.22 3fhq s PRO 544 Ca 0.19 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3fhq s PRO 544 Cb -0.21 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3fhq s PRO 544 CO -0.02 -2.45 0.00 -1.13 -0.33 0.00 0.00 177.00 173.07 3fhq n SER 545 N -4.04 0.00 -4.73 2.53 3.41 -1.26 -4.96 113.62 104.56 3fhq n SER 545 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.49 3fhq n SER 545 Cb 0.52 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 3fhq n SER 545 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fhq s GLY 546 N -2.00 2.21 0.18 5.00 0.00 -0.70 -1.90 107.32 110.12 3fhq s GLY 546 Ca 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 44.72 42.62 3fhq s GLY 546 CO 0.00 -1.87 0.28 -0.26 0.00 0.00 0.00 173.10 171.25 3fhq s ILE 547 N -2.55 0.05 -0.04 0.90 -4.36 -0.93 -4.27 121.20 110.00 3fhq s ILE 547 Ca 0.40 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 3fhq s ILE 547 Cb 0.02 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.72 3fhq s ILE 547 CO 0.22 -0.22 -0.13 0.00 0.24 0.00 0.00 174.94 175.06 3fhq s GLN 548 N -4.01 1.40 -0.05 0.37 -2.07 -0.44 -1.27 119.66 113.60 3fhq s GLN 548 Ca 0.22 -0.44 -0.20 0.00 -1.82 0.00 0.00 55.36 53.12 3fhq s GLN 548 Cb 0.03 -1.24 -0.05 0.00 -1.09 0.00 0.00 33.01 30.67 3fhq s GLN 548 CO 0.03 0.15 0.56 -0.51 -1.32 0.00 0.00 175.29 174.20 3fhq s LEU 549 N 0.22 4.36 -0.07 2.60 2.01 -0.04 -0.84 118.68 126.92 3fhq s LEU 549 Ca -0.05 1.03 0.02 0.00 0.01 0.00 0.00 54.13 55.14 3fhq s LEU 549 Cb -0.11 -2.85 0.01 0.00 0.01 0.00 0.00 46.19 43.26 3fhq s LEU 549 CO 0.02 0.05 -0.12 -0.69 1.01 0.00 0.00 176.35 176.62 3fhq s VAL 550 N 0.18 1.11 0.38 -1.59 1.01 -0.11 -1.03 120.40 120.35 3fhq s VAL 550 Ca 0.30 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3fhq s VAL 550 Cb -0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3fhq s VAL 550 CO 0.15 0.35 0.09 -1.66 0.00 0.00 0.00 175.10 174.03 3fhq s TRP 551 N 0.71 1.85 0.00 5.22 -2.14 0.04 -0.77 118.94 123.85 3fhq s TRP 551 Ca -0.14 -1.14 0.00 0.00 2.66 0.00 0.00 56.10 57.49 3fhq s TRP 551 Cb -0.16 -1.22 0.00 0.00 -3.10 0.00 0.00 33.47 28.99 3fhq s TRP 551 CO 0.03 -0.15 0.00 0.39 -2.66 0.00 0.00 176.95 174.56 3fhq n GLU 552 N -0.83 0.00 0.00 3.25 1.02 -1.25 -4.77 120.64 118.06 3fhq n GLU 552 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3fhq n GLU 552 Cb 0.66 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 3fhq n GLU 552 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fhq n ASN 556 N -0.03 0.00 -4.43 1.62 3.02 -1.26 -4.97 115.26 109.21 3fhq n ASN 556 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 3fhq n ASN 556 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 3fhq n ASN 556 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fhq s VAL 557 N 0.00 3.40 -0.11 2.41 1.01 -1.26 -2.99 120.40 122.85 3fhq s VAL 557 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 3fhq s VAL 557 Cb 0.00 -2.45 -0.26 0.00 0.00 0.00 0.00 36.38 33.67 3fhq s VAL 557 CO 0.00 0.52 0.84 -0.74 0.00 0.00 0.00 175.10 175.72 3fhq h HIS 558 N 6.60 0.11 -2.39 5.22 2.76 -0.67 -3.46 115.15 123.33 3fhq h HIS 558 Ca -0.29 -0.08 0.15 0.00 -2.20 0.00 0.00 60.37 57.96 3fhq h HIS 558 Cb 1.20 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 30.06 3fhq h HIS 558 CO 0.52 1.01 0.46 -3.38 -1.30 0.00 0.00 177.93 175.24 3fhq s HIS 559 N -2.46 -0.19 0.02 5.26 -3.43 -1.20 -4.68 115.29 108.62 3fhq s HIS 559 Ca -0.18 -0.10 0.06 0.00 -0.80 0.00 0.00 55.06 54.04 3fhq s HIS 559 Cb -0.02 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 3fhq s HIS 559 CO 0.72 -0.80 -0.14 0.71 -2.00 0.00 0.00 174.74 173.22 3fhq s TYR 560 N -3.31 2.68 -0.10 0.38 2.02 0.16 -1.29 117.35 117.90 3fhq s TYR 560 Ca 0.11 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 3fhq s TYR 560 Cb -0.02 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3fhq s TYR 560 CO 0.00 0.29 -0.20 1.03 -1.57 0.00 0.00 175.55 175.09 3fhq s ARG 561 N -1.38 3.03 -0.28 -0.62 0.52 -0.66 -1.49 118.95 118.06 3fhq s ARG 561 Ca 0.15 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3fhq s ARG 561 Cb -0.11 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.00 3fhq s ARG 561 CO 0.06 0.25 0.05 0.08 0.02 0.00 0.00 175.30 175.76 3fhq s VAL 562 N 0.19 3.74 0.04 3.52 1.01 -0.00 -1.86 120.40 127.03 3fhq s VAL 562 Ca -0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3fhq s VAL 562 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3fhq s VAL 562 CO 0.07 0.10 0.19 -0.31 0.00 0.00 0.00 175.10 175.15 3fhq s TYR 563 N 1.46 3.49 0.03 5.22 2.02 -0.04 -0.64 117.35 128.90 3fhq s TYR 563 Ca 0.02 0.27 0.09 0.00 -0.37 0.00 0.00 57.07 57.08 3fhq s TYR 563 Cb -0.17 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3fhq s TYR 563 CO 0.01 0.60 -0.26 -1.59 -1.57 0.00 0.00 175.55 172.74 3fhq s LYS 564 N -2.30 1.85 0.21 -0.62 -2.85 0.07 -0.40 119.74 115.70 3fhq s LYS 564 Ca 0.32 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 3fhq s LYS 564 Cb -0.13 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.59 3fhq s LYS 564 CO 0.24 0.52 1.11 -1.21 0.10 0.00 0.00 175.35 176.11 3fhq s GLU 565 N -1.07 4.59 0.23 1.78 2.02 -0.87 -1.44 118.70 123.94 3fhq s GLU 565 Ca 0.11 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.87 3fhq s GLU 565 Cb -0.10 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3fhq s GLU 565 CO 0.01 0.09 0.12 0.95 0.02 0.00 0.00 175.26 176.45 3fhq s THR 566 N -0.48 0.26 -0.32 3.63 -4.23 -0.85 -4.79 115.64 108.87 3fhq s THR 566 Ca 0.48 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 3fhq s THR 566 Cb -0.31 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.19 3fhq s THR 566 CO 0.37 0.00 1.66 0.29 -0.54 0.00 0.00 174.62 176.40 3fhq n LYS 567 N -0.37 0.15 -0.80 3.99 5.02 -1.26 -2.14 118.16 122.76 3fhq n LYS 567 Ca 0.01 0.56 -0.04 0.00 -2.02 0.00 0.00 58.31 56.82 3fhq n LYS 567 Cb 0.66 -1.92 0.20 0.00 -0.02 0.00 0.00 35.03 33.95 3fhq n LYS 567 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3fhq n HIS 568 N -2.23 1.16 -0.45 2.13 8.25 -1.26 -5.09 115.22 117.74 3fhq n HIS 568 Ca -0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 57.72 55.89 3fhq n HIS 568 Cb 0.10 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3fhq n HIS 568 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fhq n GLY 569 N -1.09 -2.83 3.72 -1.41 0.00 -0.91 -4.94 105.19 97.74 3fhq n GLY 569 Ca 0.34 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3fhq n GLY 569 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fhq s LYS 570 N -0.49 4.55 -0.07 1.61 -2.85 -1.26 -2.00 119.74 119.23 3fhq s LYS 570 Ca 0.00 1.65 0.05 0.00 -1.00 0.00 0.00 55.97 56.67 3fhq s LYS 570 Cb 0.00 -3.34 -0.00 0.00 -2.06 0.00 0.00 37.83 32.42 3fhq s LYS 570 CO 0.00 -0.03 -0.22 -2.00 0.10 0.00 0.00 175.35 173.20 3fhq s GLU 571 N 0.35 2.56 -0.03 1.78 2.12 -0.52 -4.90 118.70 120.06 3fhq s GLU 571 Ca 0.52 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3fhq s GLU 571 Cb -0.27 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 3fhq s GLU 571 CO 0.31 0.26 1.33 -1.17 -0.54 0.00 0.00 175.26 175.45 3fhq s LEU 572 N 0.13 4.29 0.00 2.70 2.96 0.80 -0.75 118.68 128.82 3fhq s LEU 572 Ca -0.10 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 3fhq s LEU 572 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3fhq s LEU 572 CO 0.05 -0.69 0.17 2.30 -1.32 0.00 0.00 176.35 176.87 3fhq n ILE 573 N 4.74 0.00 -3.55 6.68 -5.35 0.19 -4.70 119.36 117.36 3fhq n ILE 573 Ca 0.13 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 62.01 3fhq n ILE 573 Cb 0.45 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 3fhq n ILE 573 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fhq s GLY 574 N -0.56 -0.43 0.03 3.28 0.00 -1.11 -4.99 107.32 103.54 3fhq s GLY 574 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 44.72 46.45 3fhq s GLY 574 CO 0.00 1.06 -0.06 -0.51 0.00 0.00 0.00 173.10 173.58 3fhq s THR 575 N -1.04 0.44 -0.13 0.90 -4.23 -1.26 -0.82 115.64 109.50 3fhq s THR 575 Ca -0.06 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 3fhq s THR 575 Cb -0.01 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.39 3fhq s THR 575 CO 0.05 -0.25 0.34 -0.55 -0.54 0.00 0.00 174.62 173.68 3fhq s SER 576 N -1.12 -0.36 0.00 3.99 0.15 -0.56 -4.97 113.70 110.83 3fhq s SER 576 Ca -0.07 0.69 0.16 0.00 0.70 0.00 0.00 55.95 57.44 3fhq s SER 576 Cb -0.07 0.70 0.44 0.00 -1.71 0.00 0.00 66.02 65.38 3fhq s SER 576 CO 0.00 -0.12 1.37 0.00 1.20 0.00 0.00 173.24 175.69 3fhq n ALA 577 N 2.92 2.28 -2.40 5.45 0.00 -1.26 0.39 120.51 127.89 3fhq n ALA 577 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.13 3fhq n ALA 577 Cb 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3fhq n ALA 577 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhq n GLY 578 N 1.04 3.16 0.70 0.00 0.00 -1.26 -4.61 105.19 104.22 3fhq n GLY 578 Ca 0.17 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.44 3fhq n GLY 578 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fhq n ASP 579 N 0.00 2.70 -3.87 1.61 5.75 -1.26 -4.93 116.55 116.56 3fhq n ASP 579 Ca 0.00 -1.80 -0.08 0.00 -0.01 0.00 0.00 54.79 52.90 3fhq n ASP 579 Cb 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 3fhq n ASP 579 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fhq s ARG 580 N -1.10 1.71 -0.11 0.11 1.70 -1.26 -0.78 118.95 119.23 3fhq s ARG 580 Ca 0.23 -1.02 -0.14 0.00 -0.47 0.00 0.00 55.73 54.34 3fhq s ARG 580 Cb 0.14 0.58 0.03 0.00 -0.57 0.00 0.00 34.95 35.13 3fhq s ARG 580 CO 0.19 -0.77 0.37 -1.50 -1.08 0.00 0.00 175.30 172.51 3fhq s ILE 581 N -3.93 0.01 -0.17 4.99 2.07 -0.20 -4.86 121.20 119.12 3fhq s ILE 581 Ca 0.13 -0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.12 3fhq s ILE 581 Cb -0.05 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.93 3fhq s ILE 581 CO 0.06 -0.06 0.28 -0.47 -1.91 0.00 0.00 174.94 172.84 3fhq s TYR 582 N -0.21 3.44 -0.10 3.50 5.04 -1.26 -0.86 117.35 126.90 3fhq s TYR 582 Ca -0.04 0.56 0.04 0.00 -2.44 0.00 0.00 57.07 55.19 3fhq s TYR 582 Cb -0.03 -2.34 -0.00 0.00 0.35 0.00 0.00 41.96 39.94 3fhq s TYR 582 CO 0.02 0.21 -0.23 0.42 -1.34 0.00 0.00 175.55 174.63 3fhq s ILE 583 N 0.55 2.14 0.15 3.14 -1.09 -0.39 -5.01 121.20 120.68 3fhq s ILE 583 Ca 0.16 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 3fhq s ILE 583 Cb -0.13 -1.82 -0.07 0.00 -1.58 0.00 0.00 42.46 38.86 3fhq s ILE 583 CO 0.04 0.56 1.06 -1.61 -1.23 0.00 0.00 174.94 173.76 3fhq s GLU 584 N 0.33 4.62 -1.43 2.79 2.02 -1.26 -2.18 118.70 123.59 3fhq s GLU 584 Ca -0.18 1.64 -0.07 0.00 0.02 0.00 0.00 54.97 56.38 3fhq s GLU 584 Cb -0.18 -3.31 0.04 0.00 0.10 0.00 0.00 34.13 30.78 3fhq s GLU 584 CO 0.09 0.10 0.80 0.41 0.02 0.00 0.00 175.26 176.68 3fhq n GLY 585 N 2.18 -0.38 3.94 -1.39 0.00 -0.80 -4.98 105.19 103.77 3fhq n GLY 585 Ca 0.03 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3fhq n GLY 585 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fhq s LEU 586 N -6.99 4.00 0.00 0.99 2.96 -1.10 -4.99 118.68 113.55 3fhq s LEU 586 Ca 0.31 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3fhq s LEU 586 Cb -0.16 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.88 3fhq s LEU 586 CO 0.83 -0.27 0.00 0.52 -1.32 0.00 0.00 176.35 176.11 3fhq n VAL 595 N -1.47 0.00 -3.88 1.68 0.31 -1.26 -4.82 118.33 108.88 3fhq n VAL 595 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.94 3fhq n VAL 595 Cb 0.58 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.42 3fhq n VAL 595 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3fhq s ARG 596 N -0.82 4.08 0.20 5.55 0.52 -1.26 -4.48 118.95 122.74 3fhq s ARG 596 Ca 0.00 -0.29 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 3fhq s ARG 596 Cb 0.00 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3fhq s ARG 596 CO 0.00 0.29 -0.07 -0.51 0.02 0.00 0.00 175.30 175.03 3fhq s LEU 597 N 0.36 3.05 -0.12 2.53 1.43 0.11 -2.06 118.68 123.99 3fhq s LEU 597 Ca 0.05 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3fhq s LEU 597 Cb -0.12 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.46 3fhq s LEU 597 CO -0.01 0.07 0.01 -1.00 0.23 0.00 0.00 176.35 175.65 3fhq s HIS 598 N -1.89 0.85 -0.21 0.29 3.76 0.46 -1.62 115.29 116.92 3fhq s HIS 598 Ca 0.27 -0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 54.68 3fhq s HIS 598 Cb -0.08 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 3fhq s HIS 598 CO 0.17 -0.44 0.04 0.42 -0.85 0.00 0.00 174.74 174.07 3fhq s ILE 599 N 1.92 4.22 0.10 0.60 1.09 -0.62 -0.86 121.20 127.64 3fhq s ILE 599 Ca 0.03 -0.22 0.10 0.00 -1.10 0.00 0.00 60.65 59.46 3fhq s ILE 599 Cb -0.14 -2.93 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 3fhq s ILE 599 CO -0.06 0.40 -0.26 -1.83 -0.10 0.00 0.00 174.94 173.09 3fhq s GLU 600 N 1.12 1.60 -0.15 2.79 -1.05 -0.78 -0.78 118.70 121.46 3fhq s GLU 600 Ca 0.03 -1.24 -0.07 0.00 -0.15 0.00 0.00 54.97 53.55 3fhq s GLU 600 Cb -0.14 -1.96 -0.04 0.00 -0.44 0.00 0.00 34.13 31.55 3fhq s GLU 600 CO 0.02 0.48 0.09 0.00 0.95 0.00 0.00 175.26 176.80 3fhq s ALA 601 N -0.97 3.61 -0.15 -0.84 0.00 -1.26 -1.65 121.76 120.49 3fhq s ALA 601 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3fhq s ALA 601 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3fhq s ALA 601 CO 0.05 0.40 -0.03 -0.51 0.00 0.00 0.00 175.76 175.66 3fhq s LEU 602 N -0.33 3.29 1.24 0.00 1.02 -0.41 -0.20 118.68 123.29 3fhq s LEU 602 Ca 0.10 -0.11 -0.20 0.00 0.02 0.00 0.00 54.13 53.94 3fhq s LEU 602 Cb -0.12 -1.79 0.30 0.00 0.02 0.00 0.00 46.19 44.60 3fhq s LEU 602 CO 0.01 0.18 1.09 -0.94 0.02 0.00 0.00 176.35 176.72 3fhq s SER 603 N 0.28 0.59 0.51 2.29 1.04 -0.14 -0.15 113.70 118.12 3fhq s SER 603 Ca -0.03 0.62 0.16 0.00 0.48 0.00 0.00 55.95 57.18 3fhq s SER 603 Cb -0.14 -0.84 1.22 0.00 0.10 0.00 0.00 66.02 66.36 3fhq s SER 603 CO 0.03 -4.32 2.12 -0.33 0.98 0.00 0.00 173.24 171.71 3fhq h GLU 604 N -2.72 0.00 -0.18 4.02 4.39 -1.86 -0.18 114.58 118.05 3fhq h GLU 604 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3fhq h GLU 604 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3fhq h GLU 604 CO 0.32 0.04 0.00 2.41 -1.16 0.00 0.00 179.01 180.62 3fhq n THR 605 N -4.49 0.24 -1.82 1.13 -1.04 -1.26 -4.82 114.28 102.22 3fhq n THR 605 Ca -0.03 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.05 61.52 3fhq n THR 605 Cb 0.12 0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.79 3fhq n THR 605 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3fhq n PHE 606 N 0.15 -0.32 -2.41 -1.42 3.01 -0.08 -4.99 117.46 111.41 3fhq n PHE 606 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 3fhq n PHE 606 Cb 0.25 -2.97 -0.03 0.00 -0.01 0.00 0.00 39.48 36.73 3fhq n PHE 606 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3fhq s VAL 607 N -2.67 4.16 0.29 -4.37 1.01 -1.26 -4.74 120.40 112.82 3fhq s VAL 607 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 3fhq s VAL 607 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3fhq s VAL 607 CO 0.00 -0.02 0.83 -2.84 0.00 0.00 0.00 175.10 173.07 3fhq s PRO 608 N 2.44 4.34 0.93 2.72 0.02 -1.26 -0.97 135.00 143.22 3fhq s PRO 608 Ca 0.57 1.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 3fhq s PRO 608 Cb -0.25 -2.73 0.15 0.00 0.02 0.00 0.00 34.50 31.68 3fhq s PRO 608 CO 0.22 0.28 1.14 -1.54 -0.33 0.00 0.00 177.00 176.77 3fhq s SER 609 N -1.76 3.35 0.41 2.53 1.04 0.72 -4.72 113.70 115.27 3fhq s SER 609 Ca 0.49 0.92 -0.26 0.00 0.48 0.00 0.00 55.95 57.58 3fhq s SER 609 Cb -0.16 -1.46 -0.09 0.00 0.10 0.00 0.00 66.02 64.41 3fhq s SER 609 CO 0.21 -2.65 1.30 -1.81 0.98 0.00 0.00 173.24 171.27 3fhq s ASP 610 N -4.04 6.30 0.01 7.02 1.01 -1.26 -4.68 116.67 121.02 3fhq s ASP 610 Ca 0.65 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 56.26 3fhq s ASP 610 Cb -0.14 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 3fhq s ASP 610 CO 0.54 -0.86 1.17 0.00 0.21 0.00 0.00 175.17 176.22 3fhq s ALA 611 N -1.26 3.39 0.12 5.23 0.00 -1.26 -4.24 121.76 123.74 3fhq s ALA 611 Ca 0.57 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3fhq s ALA 611 Cb -0.38 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 3fhq s ALA 611 CO 0.49 -0.52 1.20 0.50 0.00 0.00 0.00 175.76 177.43 3fhq s ARG 612 N 1.44 4.46 0.08 0.00 6.06 0.04 -4.82 118.95 126.22 3fhq s ARG 612 Ca 0.57 1.82 -0.16 0.00 -2.50 0.00 0.00 55.73 55.45 3fhq s ARG 612 Cb -0.27 -3.30 -0.07 0.00 0.06 0.00 0.00 34.95 31.38 3fhq s ARG 612 CO 0.27 -0.18 0.52 1.41 -2.50 0.00 0.00 175.30 174.82 3fhq s MET 613 N 0.48 4.05 -0.01 5.12 -2.45 -1.26 -1.58 119.30 123.65 3fhq s MET 613 Ca 0.56 0.57 0.01 0.00 -1.25 0.00 0.00 55.69 55.58 3fhq s MET 613 Cb -0.31 -3.12 0.01 0.00 1.25 0.00 0.00 34.83 32.66 3fhq s MET 613 CO 0.32 0.59 -0.02 0.42 1.05 0.00 0.00 175.02 177.39 3fhq s ILE 614 N -1.23 0.22 0.00 10.11 -1.09 -0.64 -5.00 121.20 123.57 3fhq s ILE 614 Ca 0.31 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 3fhq s ILE 614 Cb -0.17 -0.23 0.00 0.00 -1.58 0.00 0.00 42.46 40.48 3fhq s ILE 614 CO 0.18 0.10 0.40 0.47 -1.23 0.00 0.00 174.94 174.85