#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 3.46 -0.16 4.78 6.14 -1.26 -4.92 117.35 125.39 3fhq s TYR 3 Ca 0.00 1.54 0.17 0.00 0.64 0.00 0.00 57.07 59.42 3fhq s TYR 3 Cb 0.00 -3.20 0.36 0.00 0.42 0.00 0.00 41.96 39.54 3fhq s TYR 3 CO 0.00 -0.30 1.22 0.09 0.64 0.00 0.00 175.55 177.20 3fhq n ASN 4 N 5.39 2.48 -2.83 4.32 4.13 -1.26 -5.05 115.26 122.44 3fhq n ASN 4 Ca 0.09 -3.26 -0.08 0.00 1.68 0.00 0.00 54.58 53.01 3fhq n ASN 4 Cb 0.48 -0.48 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.23 0.39 3.76 7.41 0.00 -1.26 -4.60 105.19 109.67 3fhq n GLY 5 Ca 0.18 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.42 3.67 0.05 1.61 0.02 -1.26 -4.95 135.00 130.72 3fhq s PRO 6 Ca 0.23 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.62 3fhq s PRO 6 Cb -0.01 -2.60 -0.03 0.00 0.02 0.00 0.00 34.50 31.88 3fhq s PRO 6 CO 0.15 -0.79 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.31 3fhq s LEU 7 N -2.80 2.18 0.37 -5.54 1.43 -1.26 -1.30 118.68 111.76 3fhq s LEU 7 Ca 0.62 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.89 3fhq s LEU 7 Cb -0.41 -1.02 -0.11 0.00 0.03 0.00 0.00 46.19 44.68 3fhq s LEU 7 CO 0.52 0.17 1.44 -0.24 0.23 0.00 0.00 176.35 178.47 3fhq n SER 8 N 1.75 3.55 -4.83 2.29 2.88 0.10 -4.70 113.62 114.66 3fhq n SER 8 Ca -0.17 1.22 -0.33 0.00 -1.33 0.00 0.00 58.87 58.26 3fhq n SER 8 Cb 0.53 -1.59 -0.06 0.00 -0.75 0.00 0.00 64.21 62.34 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 -0.18 6.81 -0.06 -3.46 0.01 -1.26 -4.75 113.70 110.81 3fhq s SER 9 Ca 0.54 1.63 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 3fhq s SER 9 Cb -0.50 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.26 3fhq s SER 9 CO 0.63 -0.45 0.50 -1.38 0.41 0.00 0.00 173.24 172.96 3fhq s HIS 10 N -2.35 -0.44 0.00 2.43 -3.43 -1.26 -4.13 115.29 106.10 3fhq s HIS 10 Ca 0.61 0.80 -0.04 0.00 -0.80 0.00 0.00 55.06 55.63 3fhq s HIS 10 Cb -0.09 0.24 -0.00 0.00 -1.43 0.00 0.00 32.58 31.29 3fhq s HIS 10 CO 0.20 -0.47 0.07 -1.58 -2.00 0.00 0.00 174.74 170.97 3fhq s TRP 11 N -1.03 0.09 0.45 0.38 0.51 -0.26 -4.95 118.94 114.14 3fhq s TRP 11 Ca -0.10 -0.19 -0.05 0.00 -2.12 0.00 0.00 56.10 53.63 3fhq s TRP 11 Cb -0.03 -0.08 -0.04 0.00 -0.81 0.00 0.00 33.47 32.51 3fhq s TRP 11 CO 0.06 -0.20 0.74 -0.06 -0.51 0.00 0.00 176.95 176.98 3fhq s PHE 12 N -1.11 3.55 0.32 -1.98 0.08 -1.26 -1.13 117.98 116.45 3fhq s PHE 12 Ca -0.12 0.76 0.07 0.00 0.12 0.00 0.00 56.93 57.76 3fhq s PHE 12 Cb -0.07 -2.25 0.76 0.00 -0.57 0.00 0.00 43.02 40.90 3fhq s PHE 12 CO 0.00 -0.19 1.80 -1.35 -0.10 0.00 0.00 175.22 175.38 3fhq h PRO 13 N 0.43 0.73 0.00 0.24 0.11 -1.99 -1.37 132.00 130.15 3fhq h PRO 13 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3fhq h PRO 13 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3fhq h PRO 13 CO 0.62 0.48 -0.29 0.93 -0.21 0.00 0.00 178.00 179.53 3fhq h GLU 14 N 0.75 0.00 -0.15 1.05 4.39 -1.96 -2.07 114.58 116.58 3fhq h GLU 14 Ca 0.55 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 60.05 3fhq h GLU 14 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3fhq h GLU 14 CO -0.33 0.29 -0.71 0.93 -1.16 0.00 0.00 179.01 178.03 3fhq h GLU 15 N 0.00 0.67 -0.13 2.33 5.08 -1.65 -3.25 114.58 117.63 3fhq h GLU 15 Ca -0.00 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3fhq h GLU 15 Cb 0.85 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3fhq h GLU 15 CO 0.04 1.14 0.07 1.25 -1.00 0.00 0.00 179.01 180.50 3fhq h LEU 16 N 0.47 0.17 -0.87 1.33 5.85 -1.23 -2.12 115.31 118.92 3fhq h LEU 16 Ca -0.03 -0.11 0.23 0.00 0.84 0.00 0.00 57.88 58.80 3fhq h LEU 16 Cb 1.31 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 3fhq h LEU 16 CO 0.14 0.23 0.13 0.00 -0.34 0.00 0.00 178.44 178.60 3fhq h ALA 17 N 0.95 1.12 -0.64 1.25 0.00 -1.45 0.59 119.26 121.08 3fhq h ALA 17 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3fhq h ALA 17 Cb 0.10 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3fhq h ALA 17 CO -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.76 3fhq n GLN 18 N -5.32 4.14 -2.90 0.00 10.64 -1.09 -4.93 117.38 117.91 3fhq n GLN 18 Ca 0.20 -2.99 -0.41 0.00 -1.83 0.00 0.00 57.00 51.97 3fhq n GLN 18 Cb 0.64 -2.03 -0.04 0.00 -0.86 0.00 0.00 30.24 27.96 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 -2.14 3.58 -0.08 2.61 -0.00 0.20 -5.05 118.94 118.06 3fhq s TRP 19 Ca 0.53 1.41 0.01 0.00 -0.00 0.00 0.00 56.10 58.05 3fhq s TRP 19 Cb 0.36 -2.95 0.02 0.00 -0.00 0.00 0.00 33.47 30.90 3fhq s TRP 19 CO 0.22 0.00 -0.09 -1.21 -0.00 0.00 0.00 176.95 175.88 3fhq s GLU 20 N 1.09 1.43 0.24 5.86 0.41 -1.26 -5.03 118.70 121.44 3fhq s GLU 20 Ca 0.43 -0.27 -0.05 0.00 -0.41 0.00 0.00 54.97 54.67 3fhq s GLU 20 Cb -0.19 -1.35 0.43 0.00 -1.78 0.00 0.00 34.13 31.24 3fhq s GLU 20 CO 0.21 -0.12 1.74 -1.35 -0.49 0.00 0.00 175.26 175.25 3fhq h PRO 21 N 7.53 0.47 0.00 0.39 0.11 -1.96 -1.82 132.00 136.70 3fhq h PRO 21 Ca -0.31 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fhq h PRO 21 Cb 1.16 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fhq h PRO 21 CO 0.44 0.31 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.09 3fhq h ASP 22 N 0.48 0.00 -0.14 -2.05 3.32 -2.01 -0.26 116.42 115.76 3fhq h ASP 22 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3fhq h ASP 22 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fhq h ASP 22 CO -0.37 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 176.91 3fhq n SER 23 N -3.49 2.61 -4.58 6.45 2.88 -0.71 -4.95 113.62 111.82 3fhq n SER 23 Ca -0.03 -2.35 -0.39 0.00 -1.33 0.00 0.00 58.87 54.77 3fhq n SER 23 Cb 0.09 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.22 3fhq n SER 23 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fhq s ASP 24 N -1.48 6.13 0.54 -3.46 -1.08 -0.11 -4.92 116.67 112.28 3fhq s ASP 24 Ca 0.19 0.00 0.20 0.00 -0.52 0.00 0.00 52.55 52.42 3fhq s ASP 24 Cb 0.14 -2.16 1.39 0.00 -1.46 0.00 0.00 42.92 40.82 3fhq s ASP 24 CO 0.06 -0.16 2.15 -0.65 0.52 0.00 0.00 175.17 177.09 3fhq h PRO 25 N 8.34 0.00 0.00 4.34 0.11 -1.92 -2.86 132.00 140.00 3fhq h PRO 25 Ca -0.33 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 3fhq h PRO 25 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3fhq h PRO 25 CO 0.61 0.00 -1.20 -0.44 -0.21 0.00 0.00 178.00 176.77 3fhq h ASP 26 N 0.00 0.00 -0.96 -2.05 5.19 -1.91 -3.39 116.42 113.29 3fhq h ASP 26 Ca 0.03 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.66 3fhq h ASP 26 Cb 0.15 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.54 3fhq h ASP 26 CO -0.00 0.29 0.53 0.00 -3.12 0.00 0.00 179.24 176.94 3fhq h ALA 27 N 1.71 1.61 0.00 3.45 0.00 -1.78 -1.18 119.26 123.06 3fhq h ALA 27 Ca -0.08 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3fhq h ALA 27 Cb 1.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fhq h ALA 27 CO 0.02 -0.21 -0.38 -1.35 0.00 0.00 0.00 179.25 177.33 3fhq h PRO 28 N 0.59 0.00 0.00 0.00 0.11 -1.77 -2.00 132.00 128.93 3fhq h PRO 28 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3fhq h PRO 28 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fhq h PRO 28 CO -0.45 0.38 0.00 0.74 -0.21 0.00 0.00 178.00 178.46 3fhq h PHE 29 N 0.00 0.00 -0.02 0.65 0.04 -1.50 -3.23 116.94 112.88 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 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 3fhq h PHE 29 CO 0.00 0.00 -0.07 0.09 -0.60 0.00 0.00 178.31 177.73 3fhq n ASN 30 N -2.99 2.34 -4.69 2.17 3.02 -0.76 -4.71 115.26 109.63 3fhq n ASN 30 Ca 0.02 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.42 3fhq n ASN 30 Cb 0.38 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.09 4.39 0.24 3.52 0.52 -1.16 -4.20 118.95 120.17 3fhq s ARG 31 Ca 0.29 1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 56.80 3fhq s ARG 31 Cb 0.20 -3.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 3fhq s ARG 31 CO 0.36 -0.36 1.35 0.45 0.02 0.00 0.00 175.30 177.11 3fhq s SER 32 N 1.30 6.81 -0.23 0.23 0.15 0.73 -4.90 113.70 117.78 3fhq s SER 32 Ca 0.54 2.53 0.12 0.00 0.70 0.00 0.00 55.95 59.84 3fhq s SER 32 Cb -0.23 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 61.92 3fhq s SER 32 CO 0.22 -0.57 1.36 1.41 1.20 0.00 0.00 173.24 176.86 3fhq n HIS 33 N 2.19 0.68 -3.91 3.44 8.25 -1.26 -4.76 115.22 119.86 3fhq n HIS 33 Ca 0.05 -1.36 -0.30 0.00 -0.26 0.00 0.00 57.72 55.85 3fhq n HIS 33 Cb 0.42 -0.36 -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 -3.12 1.56 0.57 1.59 1.01 -1.26 -4.99 120.40 115.77 3fhq s VAL 34 Ca 0.41 -1.56 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 3fhq s VAL 34 Cb 0.37 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3fhq s VAL 34 CO 0.00 -0.37 1.19 -2.84 0.00 0.00 0.00 175.10 173.08 3fhq s PRO 35 N 1.32 3.12 -0.14 2.72 0.02 -1.26 -4.77 135.00 136.01 3fhq s PRO 35 Ca 0.02 1.78 -0.34 0.00 0.02 0.00 0.00 61.00 62.49 3fhq s PRO 35 Cb -0.18 -1.99 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 3fhq s PRO 35 CO -0.11 -1.08 1.96 -0.11 -0.33 0.00 0.00 177.00 177.33 3fhq n LEU 36 N -1.43 3.26 -4.66 -5.54 7.94 -1.26 -4.54 117.00 110.77 3fhq n LEU 36 Ca 0.13 0.82 -0.42 0.00 -1.11 0.00 0.00 56.01 55.43 3fhq n LEU 36 Cb 0.50 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 3fhq n LEU 36 CO 0.44 -0.20 1.40 -1.61 -1.11 0.00 0.00 177.39 176.31 3fhq s GLU 37 N 4.61 4.18 0.50 1.96 0.41 -0.68 -4.96 118.70 124.71 3fhq s GLU 37 Ca 0.96 2.25 -0.16 0.00 -0.41 0.00 0.00 54.97 57.61 3fhq s GLU 37 Cb -0.68 -4.00 -0.08 0.00 -1.78 0.00 0.00 34.13 27.59 3fhq s GLU 37 CO 0.50 -0.86 0.95 -1.25 -0.49 0.00 0.00 175.26 174.11 3fhq s PRO 38 N 4.06 3.93 -0.43 0.39 0.05 -1.26 -3.91 135.00 137.84 3fhq s PRO 38 Ca 0.75 0.89 -0.09 0.00 0.05 0.00 0.00 61.00 62.61 3fhq s PRO 38 Cb -0.35 -2.17 0.01 0.00 0.05 0.00 0.00 34.50 32.04 3fhq s PRO 38 CO 0.31 -0.23 0.51 0.41 0.05 0.00 0.00 177.00 178.05 3fhq n GLY 39 N -1.51 -1.15 3.87 0.56 0.00 -1.26 -5.02 105.19 100.68 3fhq n GLY 39 Ca 0.06 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.53 3.69 -0.05 1.61 0.52 -1.26 -4.86 118.95 116.07 3fhq s ARG 40 Ca 0.13 0.70 0.06 0.00 -0.52 0.00 0.00 55.73 56.11 3fhq s ARG 40 Cb -0.04 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 3fhq s ARG 40 CO 0.61 -0.41 -0.25 0.54 0.02 0.00 0.00 175.30 175.82 3fhq s VAL 41 N -2.93 2.12 0.51 3.52 0.11 0.48 -4.87 120.40 119.35 3fhq s VAL 41 Ca 0.55 -1.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.49 3fhq s VAL 41 Cb -0.11 -1.76 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 3fhq s VAL 41 CO 0.46 0.57 0.81 0.00 -3.33 0.00 0.00 175.10 173.60 3fhq s ALA 42 N -0.31 3.40 0.53 1.54 0.00 -1.26 -0.24 121.76 125.42 3fhq s ALA 42 Ca 0.01 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.45 3fhq s ALA 42 Cb -0.13 -2.56 0.05 0.00 0.00 0.00 0.00 23.12 20.49 3fhq s ALA 42 CO 0.02 -0.47 0.58 0.16 0.00 0.00 0.00 175.76 176.05 3fhq s ASP 43 N -4.16 4.95 0.00 0.00 -4.77 0.02 -4.92 116.67 107.79 3fhq s ASP 43 Ca 0.49 -0.96 0.15 0.00 -3.30 0.00 0.00 52.55 48.93 3fhq s ASP 43 Cb -0.10 0.17 0.25 0.00 -1.09 0.00 0.00 42.92 42.14 3fhq s ASP 43 CO 0.44 -1.12 1.09 0.54 0.70 0.00 0.00 175.17 176.82 3fhq n ARG 44 N -1.95 0.00 0.18 2.11 1.74 -1.26 -4.69 116.66 112.79 3fhq n ARG 44 Ca 0.07 -1.56 0.13 0.00 -0.77 0.00 0.00 57.85 55.72 3fhq n ARG 44 Cb 0.62 -0.20 0.35 0.00 -1.02 0.00 0.00 32.46 32.22 3fhq n ARG 44 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3fhq h VAL 45 N 6.96 0.00 -3.59 1.55 -1.51 -1.97 -3.41 116.25 114.27 3fhq h VAL 45 Ca -0.14 -0.69 -0.68 0.00 -1.23 0.00 0.00 66.70 63.97 3fhq h VAL 45 Cb 1.68 1.66 -0.27 0.00 -2.13 0.00 0.00 31.29 32.23 3fhq h VAL 45 CO 0.05 0.00 -0.64 0.21 -1.23 0.00 0.00 177.57 175.96 3fhq s ASN 46 N -5.41 5.01 0.45 4.19 3.84 -1.26 -4.50 114.94 117.26 3fhq s ASN 46 Ca 0.07 -0.75 0.18 0.00 0.21 0.00 0.00 52.86 52.57 3fhq s ASN 46 Cb 0.08 -1.84 1.05 0.00 -0.55 0.00 0.00 41.25 39.99 3fhq s ASN 46 CO 0.60 -0.19 1.96 0.00 -2.79 0.00 0.00 177.10 176.69 3fhq h ALA 47 N 8.20 1.48 0.00 1.71 0.00 -1.84 -2.46 119.26 126.34 3fhq h ALA 47 Ca -0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3fhq h ALA 47 Cb 1.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fhq h ALA 47 CO 0.60 0.27 -0.10 -0.97 0.00 0.00 0.00 179.25 179.05 3fhq h ASN 48 N 0.00 0.00 -3.62 0.00 -1.24 -1.93 -3.46 115.58 105.32 3fhq h ASN 48 Ca -0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 3fhq h ASN 48 Cb 0.43 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.52 3fhq h ASN 48 CO 0.03 0.10 0.62 0.00 -1.29 0.00 0.00 177.43 176.90 3fhq s ALA 49 N -3.20 3.50 0.38 1.57 0.00 -0.93 -4.78 121.76 118.29 3fhq s ALA 49 Ca 0.06 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.23 3fhq s ALA 49 Cb 0.06 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3fhq s ALA 49 CO 0.68 -0.52 0.26 0.16 0.00 0.00 0.00 175.76 176.34 3fhq s ASP 50 N -0.14 4.89 0.00 0.00 -4.77 -0.85 -4.87 116.67 110.93 3fhq s ASP 50 Ca 0.52 -0.75 0.19 0.00 -3.30 0.00 0.00 52.55 49.21 3fhq s ASP 50 Cb -0.37 -0.69 0.11 0.00 -1.09 0.00 0.00 42.92 40.87 3fhq s ASP 50 CO 0.44 -0.46 1.07 2.29 0.70 0.00 0.00 175.17 179.20 3fhq n LYS 51 N -1.34 1.66 -0.09 2.11 2.85 -1.26 -4.26 118.16 117.83 3fhq n LYS 51 Ca -0.00 -1.43 -0.16 0.00 -1.05 0.00 0.00 58.31 55.66 3fhq n LYS 51 Cb 0.62 -1.37 -0.08 0.00 -0.65 0.00 0.00 35.03 33.55 3fhq n LYS 51 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3fhq h ASP 52 N 3.31 0.00 -3.46 -5.58 3.32 -1.96 -3.47 116.42 108.57 3fhq h ASP 52 Ca 0.00 -0.34 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 3fhq h ASP 52 Cb 0.76 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.37 3fhq h ASP 52 CO 0.00 1.24 0.76 0.00 -1.72 0.00 0.00 179.24 179.52 3fhq s ALA 53 N -2.49 3.62 0.49 3.45 0.00 -1.26 -4.93 121.76 120.65 3fhq s ALA 53 Ca -0.24 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.16 3fhq s ALA 53 Cb 0.05 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.64 3fhq s ALA 53 CO 0.46 -0.77 0.63 -1.01 0.00 0.00 0.00 175.76 175.07 3fhq s HIS 54 N -0.18 2.14 -0.03 0.00 3.76 -1.26 -4.94 115.29 114.77 3fhq s HIS 54 Ca 0.58 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 3fhq s HIS 54 Cb -0.42 -2.25 0.03 0.00 1.11 0.00 0.00 32.58 31.04 3fhq s HIS 54 CO 0.46 -0.69 0.03 -1.17 -0.85 0.00 0.00 174.74 172.51 3fhq s LEU 55 N -4.45 0.85 -0.07 0.89 0.20 -1.26 -0.22 118.68 114.62 3fhq s LEU 55 Ca 0.55 0.02 0.00 0.00 0.69 0.00 0.00 54.13 55.40 3fhq s LEU 55 Cb -0.07 -0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.50 3fhq s LEU 55 CO 0.34 -0.15 -0.06 0.68 -0.29 0.00 0.00 176.35 176.87 3fhq s VAL 56 N 1.38 3.79 -0.17 1.68 -7.23 -0.48 -1.33 120.40 118.04 3fhq s VAL 56 Ca -0.05 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 3fhq s VAL 56 Cb -0.13 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 3fhq s VAL 56 CO -0.03 0.60 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.78 3fhq s SER 57 N -0.84 4.77 -0.52 4.85 0.15 -0.26 -0.84 113.70 121.01 3fhq s SER 57 Ca 0.13 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 3fhq s SER 57 Cb -0.11 -1.79 0.11 0.00 -1.71 0.00 0.00 66.02 62.52 3fhq s SER 57 CO 0.02 0.12 0.47 -0.76 1.20 0.00 0.00 173.24 174.28 3fhq s LEU 58 N 0.66 6.00 -0.09 3.45 1.02 -0.27 0.65 118.68 130.10 3fhq s LEU 58 Ca -0.02 -1.64 0.04 0.00 0.02 0.00 0.00 54.13 52.53 3fhq s LEU 58 Cb -0.14 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.87 3fhq s LEU 58 CO 0.02 -0.79 -0.20 -0.44 0.02 0.00 0.00 176.35 174.96 3fhq s SER 59 N 3.27 2.67 -1.11 2.29 0.01 -0.45 0.10 113.70 120.47 3fhq s SER 59 Ca 0.03 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 3fhq s SER 59 Cb -0.28 -1.19 -0.06 0.00 0.21 0.00 0.00 66.02 64.70 3fhq s SER 59 CO 0.04 0.13 2.08 0.00 0.41 0.00 0.00 173.24 175.90 3fhq n ALA 60 N 3.57 4.45 0.34 1.44 0.00 -1.26 -0.61 120.51 128.43 3fhq n ALA 60 Ca -0.20 -3.58 0.16 0.00 0.00 0.00 0.00 53.44 49.82 3fhq n ALA 60 Cb 0.53 -3.58 0.87 0.00 0.00 0.00 0.00 19.45 17.26 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 11.84 0.00 -8.09 0.00 3.38 -1.92 -3.34 115.31 117.18 3fhq h LEU 61 Ca 0.50 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.93 3fhq h LEU 61 Cb 0.65 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.07 3fhq h LEU 61 CO 1.92 0.00 -0.82 0.20 0.09 0.00 0.00 178.44 179.83 3fhq s ASN 62 N -4.52 1.96 0.29 -0.43 0.01 -1.26 -4.43 114.94 106.56 3fhq s ASN 62 Ca -0.04 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.76 3fhq s ASN 62 Cb 0.09 -0.76 0.41 0.00 0.41 0.00 0.00 41.25 41.40 3fhq s ASN 62 CO 0.29 0.09 1.93 -0.09 -1.51 0.00 0.00 177.10 177.81 3fhq h ARG 63 N 6.66 1.08 -6.58 -0.60 2.43 -1.95 -3.43 114.38 111.99 3fhq h ARG 63 Ca -0.31 -0.09 -0.66 0.00 -0.81 0.00 0.00 59.98 58.11 3fhq h ARG 63 Cb 1.19 -0.23 -0.16 0.00 -0.42 0.00 0.00 29.97 30.35 3fhq h ARG 63 CO 0.48 0.75 -0.75 -1.01 -1.51 0.00 0.00 179.97 177.93 3fhq s HIS 64 N -5.82 2.69 0.01 2.20 3.76 -1.26 -5.05 115.29 111.83 3fhq s HIS 64 Ca -0.11 -0.18 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 3fhq s HIS 64 Cb 0.17 -1.40 -0.18 0.00 1.11 0.00 0.00 32.58 32.28 3fhq s HIS 64 CO 0.80 0.43 1.25 1.15 -0.85 0.00 0.00 174.74 177.51 3fhq h THR 65 N 3.25 1.40 -2.29 1.30 2.02 -1.94 -3.45 112.91 113.21 3fhq h THR 65 Ca -0.49 -1.47 -0.45 0.00 0.77 0.00 0.00 66.41 64.77 3fhq h THR 65 Cb 1.17 2.16 0.01 0.00 -1.74 0.00 0.00 68.15 69.75 3fhq h THR 65 CO 0.51 0.42 -0.25 -0.94 0.37 0.00 0.00 175.52 175.62 3fhq s SER 66 N -6.13 6.01 -0.25 4.18 1.04 -1.26 -4.55 113.70 112.73 3fhq s SER 66 Ca -0.15 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3fhq s SER 66 Cb 0.04 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.64 3fhq s SER 66 CO 0.74 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.11 3fhq n GLY 67 N -1.77 0.57 3.53 7.32 0.00 -1.26 -4.99 105.19 108.58 3fhq n GLY 67 Ca -0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.06 4.95 0.42 1.61 1.01 -1.26 -5.01 120.40 120.06 3fhq s VAL 68 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3fhq s VAL 68 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3fhq s VAL 68 CO 0.00 -0.41 1.37 -2.65 0.00 0.00 0.00 175.10 173.41 3fhq n PRO 69 N 5.93 2.18 -0.24 2.72 -0.02 -1.26 0.01 135.00 144.31 3fhq n PRO 69 Ca -0.04 0.77 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 3fhq n PRO 69 Cb 0.48 -2.53 0.37 0.00 -0.02 0.00 0.00 33.50 31.80 3fhq n PRO 69 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3fhq h SER 70 N 2.31 0.66 -0.28 2.55 0.02 -1.48 -3.35 113.55 113.99 3fhq h SER 70 Ca -0.49 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.25 3fhq h SER 70 Cb 1.28 -0.11 -0.35 0.00 0.14 0.00 0.00 62.40 63.36 3fhq h SER 70 CO 0.61 0.37 -0.97 0.00 -1.14 0.00 0.00 176.83 175.69 3fhq n GLN 71 N -4.53 1.40 0.00 3.45 6.02 -1.26 -4.12 117.38 118.34 3fhq n GLN 71 Ca 0.15 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 3fhq n GLN 71 Cb 0.39 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -0.31 1.05 3.48 1.08 0.00 -1.26 -4.85 105.19 104.40 3fhq n GLY 72 Ca 0.13 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.60 -1.64 -1.24 4.61 0.00 -0.93 -4.72 121.76 116.24 3fhq s ALA 73 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 3fhq s ALA 73 Cb 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 23.12 23.76 3fhq s ALA 73 CO 0.00 -0.77 2.86 -0.35 0.00 0.00 0.00 175.76 177.49 3fhq n PRO 74 N -0.35 3.09 -3.73 0.00 -0.05 -1.26 -0.38 135.00 132.32 3fhq n PRO 74 Ca -0.14 -1.85 -0.21 0.00 -0.05 0.00 0.00 63.50 61.26 3fhq n PRO 74 Cb 0.64 -2.60 -0.18 0.00 -0.05 0.00 0.00 33.50 31.31 3fhq n PRO 74 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3fhq s VAL 75 N 2.26 0.10 -0.04 0.52 1.01 -1.26 -4.62 120.40 118.38 3fhq s VAL 75 Ca 0.62 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 3fhq s VAL 75 Cb 0.18 -0.31 -0.21 0.00 0.00 0.00 0.00 36.38 36.04 3fhq s VAL 75 CO -0.05 0.21 1.17 0.15 0.00 0.00 0.00 175.10 176.58 3fhq h PHE 76 N 8.28 0.02 -1.14 5.22 3.57 -1.78 -2.99 116.94 128.12 3fhq h PHE 76 Ca -0.18 -0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.70 3fhq h PHE 76 Cb 1.12 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.76 3fhq h PHE 76 CO 0.48 0.60 1.56 -0.47 -2.23 0.00 0.00 178.31 178.25 3fhq s TYR 77 N -3.84 2.59 0.09 0.41 5.04 -1.26 -4.58 117.35 115.80 3fhq s TYR 77 Ca -0.16 -0.97 0.03 0.00 -2.44 0.00 0.00 57.07 53.53 3fhq s TYR 77 Cb 0.01 -4.69 -0.04 0.00 0.35 0.00 0.00 41.96 37.59 3fhq s TYR 77 CO 0.68 -1.90 -0.09 -2.00 -1.34 0.00 0.00 175.55 170.90 3fhq s GLU 78 N 4.78 0.80 -0.83 4.97 2.56 -1.26 -5.08 118.70 124.64 3fhq s GLU 78 Ca 0.46 -1.15 -0.25 0.00 0.00 0.00 0.00 54.97 54.03 3fhq s GLU 78 Cb 0.00 -0.42 -0.03 0.00 2.00 0.00 0.00 34.13 35.69 3fhq s GLU 78 CO -0.08 0.05 1.85 1.21 -0.56 0.00 0.00 175.26 177.73 3fhq s ASN 79 N -2.49 5.35 -0.83 -1.70 3.84 -1.26 -4.83 114.94 113.01 3fhq s ASN 79 Ca 0.05 -0.48 -0.01 0.00 0.21 0.00 0.00 52.86 52.63 3fhq s ASN 79 Cb -0.02 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.48 3fhq s ASN 79 CO -0.01 -2.49 1.89 1.07 -2.79 0.00 0.00 177.10 174.77 3fhq n THR 80 N 7.55 3.85 -1.51 -5.21 5.66 -1.26 -4.95 114.28 118.40 3fhq n THR 80 Ca 0.33 -4.63 -0.56 0.00 -3.05 0.00 0.00 64.05 56.13 3fhq n THR 80 Cb 0.49 -1.29 -0.07 0.00 -1.55 0.00 0.00 70.33 67.91 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 -0.46 0.77 -0.88 1.09 7.35 -1.26 -4.88 117.46 119.20 3fhq n PHE 81 Ca 0.51 0.95 0.02 0.00 -0.76 0.00 0.00 57.45 58.17 3fhq n PHE 81 Cb 0.28 -2.14 0.03 0.00 0.35 0.00 0.00 39.48 38.00 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 1.77 1.21 -2.11 -2.13 3.41 -1.26 -4.76 113.62 109.75 3fhq n SER 82 Ca 0.19 -2.01 -0.27 0.00 -0.26 0.00 0.00 58.87 56.52 3fhq n SER 82 Cb 0.12 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.51 2.84 -0.03 7.33 4.02 -1.26 -4.61 117.16 124.95 3fhq n TYR 83 Ca 0.04 -2.51 0.18 0.00 -0.01 0.00 0.00 57.90 55.61 3fhq n TYR 83 Cb 0.49 -1.03 0.64 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.75 0.13 0.00 -0.72 4.06 -1.93 -2.28 115.95 116.97 3fhq h TRP 84 Ca 0.52 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.46 3fhq h TRP 84 Cb 1.40 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.51 3fhq h TRP 84 CO 1.30 0.05 -0.03 1.12 -3.56 0.00 0.00 178.44 177.32 3fhq h HIS 85 N 0.12 0.00 -0.59 0.49 2.07 -1.81 -0.32 115.15 115.10 3fhq h HIS 85 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3fhq h HIS 85 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 3fhq h HIS 85 CO -0.00 0.03 0.00 0.66 -3.07 0.00 0.00 177.93 175.55 3fhq n TYR 86 N -3.35 0.78 -4.26 6.12 4.01 -0.86 -0.84 117.16 118.77 3fhq n TYR 86 Ca -0.02 -0.40 -0.34 0.00 -0.16 0.00 0.00 57.90 56.98 3fhq n TYR 86 Cb 0.15 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.19 3.85 -0.13 -0.72 2.01 -0.13 -4.73 115.64 114.59 3fhq s THR 87 Ca 0.45 -0.36 0.19 0.00 0.31 0.00 0.00 61.69 62.28 3fhq s THR 87 Cb 0.24 -2.71 -0.18 0.00 0.01 0.00 0.00 72.50 69.86 3fhq s THR 87 CO 0.32 0.47 0.66 0.47 -0.69 0.00 0.00 174.62 175.85 3fhq n ASP 88 N 3.88 0.50 -3.70 3.53 8.00 -0.44 -4.86 116.55 123.46 3fhq n ASP 88 Ca -0.17 0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 3fhq n ASP 88 Cb 0.52 0.84 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 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 -5.32 -0.01 -0.15 0.64 2.96 -1.02 -4.16 118.68 111.62 3fhq s LEU 89 Ca -0.05 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3fhq s LEU 89 Cb 0.10 1.36 -0.01 0.00 0.50 0.00 0.00 46.19 48.14 3fhq s LEU 89 CO 0.84 -0.19 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.26 3fhq s MET 90 N 1.21 3.41 -0.24 1.98 -2.45 -0.46 -1.10 119.30 121.65 3fhq s MET 90 Ca -0.08 -0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 53.64 3fhq s MET 90 Cb -0.07 -2.73 -0.02 0.00 1.25 0.00 0.00 34.83 33.25 3fhq s MET 90 CO -0.11 0.14 0.03 0.08 1.05 0.00 0.00 175.02 176.21 3fhq s VAL 91 N 0.57 3.94 -0.46 10.11 1.01 0.21 0.20 120.40 135.98 3fhq s VAL 91 Ca -0.07 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3fhq s VAL 91 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3fhq s VAL 91 CO 0.03 0.35 1.83 -0.47 0.00 0.00 0.00 175.10 176.85 3fhq s TYR 92 N 1.56 1.74 -0.25 5.22 6.14 -0.03 -1.35 117.35 130.38 3fhq s TYR 92 Ca 0.06 0.74 -0.28 0.00 0.64 0.00 0.00 57.07 58.23 3fhq s TYR 92 Cb -0.15 -4.10 0.01 0.00 0.42 0.00 0.00 41.96 38.14 3fhq s TYR 92 CO 0.01 -2.60 0.98 -0.46 0.64 0.00 0.00 175.55 174.12 3fhq s TRP 93 N 8.00 3.29 0.24 4.97 -0.11 0.21 -4.03 118.94 131.51 3fhq s TRP 93 Ca 0.74 1.30 -0.20 0.00 1.22 0.00 0.00 56.10 59.16 3fhq s TRP 93 Cb -0.17 -3.30 0.07 0.00 -1.50 0.00 0.00 33.47 28.57 3fhq s TRP 93 CO 0.28 -0.52 0.98 0.00 -4.62 0.00 0.00 176.95 173.06 3fhq s ALA 94 N 3.19 -1.38 0.00 5.86 0.00 -1.26 -4.27 121.76 123.90 3fhq s ALA 94 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.92 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 0.08 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.21 3fhq n GLY 95 N -0.67 2.80 3.43 0.00 0.00 -1.26 -4.65 105.19 104.84 3fhq n GLY 95 Ca -0.04 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.52 0.40 1.61 1.04 0.52 -4.95 113.70 111.81 3fhq s SER 96 Ca 0.00 0.34 0.14 0.00 0.48 0.00 0.00 55.95 56.92 3fhq s SER 96 Cb 0.00 0.51 1.00 0.00 0.10 0.00 0.00 66.02 67.63 3fhq s SER 96 CO 0.00 -0.69 1.88 0.00 0.98 0.00 0.00 173.24 175.41 3fhq h ALA 97 N 2.84 2.07 0.00 5.32 0.00 -1.83 0.15 119.26 127.81 3fhq h ALA 97 Ca -0.30 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3fhq h ALA 97 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3fhq h ALA 97 CO 0.40 -0.31 -0.35 0.78 0.00 0.00 0.00 179.25 179.77 3fhq h GLY 98 N 0.49 0.00 0.00 0.00 0.00 -1.91 -3.40 103.07 98.25 3fhq h GLY 98 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 3fhq h GLY 98 CO -0.16 0.00 -1.25 1.18 0.00 0.00 0.00 176.54 176.30 3fhq n GLU 99 N -3.10 2.61 0.00 4.80 1.02 -0.88 -5.12 120.64 119.97 3fhq n GLU 99 Ca 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3fhq n GLU 99 Cb 0.63 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 2.64 4.82 0.12 0.62 0.00 -0.01 -4.68 105.19 108.69 3fhq n GLY 100 Ca -0.05 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.89 0.00 -3.99 -0.61 -5.35 -0.36 -0.35 119.36 106.80 3fhq n ILE 101 Ca 0.00 -0.42 -0.34 0.00 -0.27 0.00 0.00 62.75 61.72 3fhq n ILE 101 Cb 0.00 1.06 -0.15 0.00 -1.74 0.00 0.00 39.64 38.82 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 -1.13 2.67 -0.10 7.28 1.01 -0.28 0.12 121.20 130.76 3fhq s ILE 102 Ca 0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.47 3fhq s ILE 102 Cb 0.05 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 40.17 3fhq s ILE 102 CO 0.17 0.14 0.13 0.54 0.00 0.00 0.00 174.94 175.93 3fhq s VAL 103 N 1.26 -0.21 0.76 2.92 0.11 0.73 -1.10 120.40 124.89 3fhq s VAL 103 Ca -0.02 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 3fhq s VAL 103 Cb -0.17 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3fhq s VAL 103 CO -0.05 0.04 1.08 -2.16 -3.33 0.00 0.00 175.10 170.68 3fhq s PRO 104 N 2.24 2.35 0.39 1.54 0.04 -1.26 -0.91 135.00 139.40 3fhq s PRO 104 Ca 0.04 0.81 -0.25 0.00 0.04 0.00 0.00 61.00 61.65 3fhq s PRO 104 Cb -0.13 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3fhq s PRO 104 CO -0.06 -1.48 1.07 -2.14 0.04 0.00 0.00 177.00 174.43 3fhq s PRO 105 N -5.08 4.19 0.64 0.56 0.02 -1.26 -4.88 135.00 129.19 3fhq s PRO 105 Ca 0.60 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 63.04 3fhq s PRO 105 Cb -0.15 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.73 3fhq s PRO 105 CO 0.55 -0.13 1.18 -1.54 -0.33 0.00 0.00 177.00 176.72 3fhq s SER 106 N -1.43 4.98 0.52 2.53 1.04 -1.26 -4.76 113.70 115.33 3fhq s SER 106 Ca 0.56 2.27 0.22 0.00 0.48 0.00 0.00 55.95 59.48 3fhq s SER 106 Cb -0.24 -2.58 1.34 0.00 0.10 0.00 0.00 66.02 64.64 3fhq s SER 106 CO 0.31 -1.73 2.04 0.00 0.98 0.00 0.00 173.24 174.84 3fhq h ALA 107 N 0.44 2.33 -0.51 5.32 0.00 -1.73 -1.12 119.26 123.99 3fhq h ALA 107 Ca -0.49 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3fhq h ALA 107 Cb 1.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3fhq h ALA 107 CO 0.54 -0.43 -0.07 0.38 0.00 0.00 0.00 179.25 179.66 3fhq h ASP 108 N 0.02 0.95 0.44 0.00 2.03 -1.92 -2.16 116.42 115.78 3fhq h ASP 108 Ca 0.17 -0.34 -0.31 0.00 -0.73 0.00 0.00 57.03 55.83 3fhq h ASP 108 Cb 0.68 -0.26 0.02 0.00 -0.83 0.00 0.00 39.33 38.94 3fhq h ASP 108 CO -0.00 1.07 -1.39 0.58 -1.03 0.00 0.00 179.24 178.47 3fhq h VAL 109 N 0.81 1.37 -0.55 4.15 2.07 -1.67 -2.04 116.25 120.39 3fhq h VAL 109 Ca 0.14 -2.87 0.09 0.00 0.82 0.00 0.00 66.70 64.88 3fhq h VAL 109 Cb 0.62 2.98 -0.07 0.00 -1.52 0.00 0.00 31.29 33.30 3fhq h VAL 109 CO 0.04 0.85 0.15 0.40 0.02 0.00 0.00 177.57 179.03 3fhq h ILE 110 N 0.11 0.72 -0.18 4.57 2.04 -1.27 -1.26 117.51 122.23 3fhq h ILE 110 Ca -0.20 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3fhq h ILE 110 Cb 2.07 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3fhq h ILE 110 CO 0.23 0.05 0.11 0.44 0.00 0.00 0.00 178.15 178.99 3fhq h ASP 111 N 0.30 0.23 -0.15 1.72 3.32 -1.25 0.11 116.42 120.69 3fhq h ASP 111 Ca 0.28 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3fhq h ASP 111 Cb 0.37 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3fhq h ASP 111 CO -0.33 0.22 0.09 0.00 -1.72 0.00 0.00 179.24 177.50 3fhq h ALA 112 N 1.01 0.20 -0.20 3.45 0.00 -1.19 -1.00 119.26 121.53 3fhq h ALA 112 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3fhq h ALA 112 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3fhq h ALA 112 CO -0.01 -0.27 -0.06 1.03 0.00 0.00 0.00 179.25 179.94 3fhq h SER 113 N 0.15 -0.21 -0.55 0.00 0.87 -1.11 -2.97 113.55 109.74 3fhq h SER 113 Ca 0.05 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3fhq h SER 113 Cb 0.06 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3fhq h SER 113 CO -0.01 -0.08 0.30 0.45 -0.53 0.00 0.00 176.83 176.96 3fhq h HIS 114 N -0.01 0.77 -0.88 2.24 -0.00 -0.28 -1.37 115.15 115.62 3fhq h HIS 114 Ca 0.10 -0.02 0.24 0.00 -0.00 0.00 0.00 60.37 60.69 3fhq h HIS 114 Cb 0.16 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 3fhq h HIS 114 CO -0.23 0.57 0.62 0.00 -0.00 0.00 0.00 177.93 178.89 3fhq h ARG 115 N 0.74 0.10 -0.64 2.45 3.08 -1.04 0.30 114.38 119.38 3fhq h ARG 115 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3fhq h ARG 115 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3fhq h ARG 115 CO -0.03 0.06 0.00 0.09 -1.07 0.00 0.00 179.97 179.02 3fhq n ASN 116 N -4.34 4.78 -2.15 7.04 3.02 -0.61 -4.80 115.26 118.20 3fhq n ASN 116 Ca 0.18 -2.65 -0.19 0.00 -0.03 0.00 0.00 54.58 51.88 3fhq n ASN 116 Cb 0.88 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.72 0.21 3.63 7.41 0.00 0.98 -4.77 105.19 113.37 3fhq n GLY 117 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.88 5.17 0.16 1.61 1.01 -0.65 -4.84 120.40 119.98 3fhq s VAL 118 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3fhq s VAL 118 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 3fhq s VAL 118 CO 0.00 0.35 1.29 -2.84 0.00 0.00 0.00 175.10 173.90 3fhq s PRO 119 N 1.08 4.40 -0.12 2.72 0.02 -1.26 -3.90 135.00 137.95 3fhq s PRO 119 Ca 0.07 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.08 3fhq s PRO 119 Cb -0.14 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 3fhq s PRO 119 CO 0.04 -0.25 -0.14 -1.50 -0.33 0.00 0.00 177.00 174.82 3fhq s ILE 120 N 0.37 2.99 -0.00 2.83 2.07 -1.26 -1.35 121.20 126.85 3fhq s ILE 120 Ca 0.58 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3fhq s ILE 120 Cb -0.35 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.97 3fhq s ILE 120 CO 0.35 0.54 0.06 -0.76 -1.91 0.00 0.00 174.94 173.22 3fhq s LEU 121 N 0.19 3.81 0.78 8.50 1.43 0.13 -1.44 118.68 132.09 3fhq s LEU 121 Ca -0.08 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3fhq s LEU 121 Cb -0.15 -2.22 0.10 0.00 0.03 0.00 0.00 46.19 43.94 3fhq s LEU 121 CO 0.05 0.27 1.11 -0.83 0.23 0.00 0.00 176.35 177.18 3fhq s GLY 122 N -1.72 1.69 -0.06 -3.19 0.00 -0.59 -0.85 107.32 102.60 3fhq s GLY 122 Ca 0.22 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3fhq s GLY 122 CO 0.13 -0.49 -0.20 0.21 0.00 0.00 0.00 173.10 172.75 3fhq s ASN 123 N -4.63 3.48 -0.36 1.64 2.47 -0.08 -0.06 114.94 117.39 3fhq s ASN 123 Ca 0.64 -0.39 -0.00 0.00 0.42 0.00 0.00 52.86 53.53 3fhq s ASN 123 Cb -0.09 -0.90 0.09 0.00 -1.45 0.00 0.00 41.25 38.90 3fhq s ASN 123 CO 0.47 0.27 0.11 -0.69 -3.72 0.00 0.00 177.10 173.54 3fhq s VAL 124 N -0.29 2.85 -0.52 -5.21 1.01 -0.17 -0.19 120.40 117.88 3fhq s VAL 124 Ca 0.01 -2.03 -0.08 0.00 0.00 0.00 0.00 61.98 59.88 3fhq s VAL 124 Cb -0.13 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.45 3fhq s VAL 124 CO 0.03 -0.54 0.38 0.12 0.00 0.00 0.00 175.10 175.09 3fhq s PHE 125 N 1.08 3.46 -0.71 5.22 5.36 0.32 -1.31 117.98 131.39 3fhq s PHE 125 Ca 0.06 -2.02 -0.23 0.00 -0.96 0.00 0.00 56.93 53.78 3fhq s PHE 125 Cb -0.21 -3.48 0.07 0.00 -0.34 0.00 0.00 43.02 39.06 3fhq s PHE 125 CO -0.05 -0.98 1.06 -0.06 -1.46 0.00 0.00 175.22 173.73 3fhq s PHE 126 N 1.08 2.62 0.52 10.12 0.08 0.47 -4.71 117.98 128.16 3fhq s PHE 126 Ca 0.08 -0.53 -0.19 0.00 0.12 0.00 0.00 56.93 56.41 3fhq s PHE 126 Cb -0.24 -4.38 -0.07 0.00 -0.57 0.00 0.00 43.02 37.76 3fhq s PHE 126 CO -0.02 -1.74 1.05 -2.14 -0.10 0.00 0.00 175.22 172.27 3fhq s PRO 127 N 4.33 3.65 0.46 0.24 0.02 -1.26 -0.98 135.00 141.46 3fhq s PRO 127 Ca 0.26 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 3fhq s PRO 127 Cb -0.13 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3fhq s PRO 127 CO 0.09 -0.55 1.09 -2.30 -0.33 0.00 0.00 177.00 174.99 3fhq n PRO 128 N -1.25 1.44 -0.05 5.54 -0.02 -1.24 -3.58 135.00 135.84 3fhq n PRO 128 Ca 0.09 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.27 3fhq n PRO 128 Cb 0.52 -2.18 0.61 0.00 -0.02 0.00 0.00 33.50 32.43 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 1.50 0.78 0.00 3.45 1.35 -1.79 0.23 112.91 118.42 3fhq h THR 129 Ca -0.46 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3fhq h THR 129 Cb 1.33 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3fhq h THR 129 CO 0.57 0.03 0.00 0.58 -0.25 0.00 0.00 175.52 176.45 3fhq h VAL 130 N 0.17 0.00 -0.33 6.82 2.07 -1.90 -0.80 116.25 122.28 3fhq h VAL 130 Ca 0.29 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 3fhq h VAL 130 Cb 0.89 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3fhq h VAL 130 CO -0.05 0.00 0.01 -1.22 0.02 0.00 0.00 177.57 176.33 3fhq n TYR 131 N -2.89 1.12 -0.65 1.57 4.01 0.74 -4.92 117.16 116.13 3fhq n TYR 131 Ca -0.02 -1.19 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 3fhq n TYR 131 Cb 0.13 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 -0.76 0.66 3.60 2.72 0.00 -0.31 -4.31 105.19 106.80 3fhq n GLY 132 Ca 0.28 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.65 -0.35 2.76 -0.02 0.00 -0.86 -4.75 105.19 99.31 3fhq n GLY 133 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.20 0.56 0.41 1.61 -1.52 -1.26 -4.51 119.66 112.75 3fhq s GLN 134 Ca 0.67 0.05 0.21 0.00 -1.95 0.00 0.00 55.36 54.34 3fhq s GLN 134 Cb -0.51 -1.12 1.18 0.00 -0.22 0.00 0.00 33.01 32.34 3fhq s GLN 134 CO 0.54 -0.36 1.75 -0.07 -0.25 0.00 0.00 175.29 176.90 3fhq h LEU 135 N 8.33 0.39 -0.44 2.90 3.38 -1.94 -1.76 115.31 126.16 3fhq h LEU 135 Ca -0.19 0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3fhq h LEU 135 Cb 1.12 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 3fhq h LEU 135 CO 0.26 0.03 -0.11 -0.08 0.09 0.00 0.00 178.44 178.64 3fhq h GLU 136 N 0.32 0.00 -0.52 1.13 4.81 -1.98 0.34 114.58 118.69 3fhq h GLU 136 Ca 0.63 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.92 3fhq h GLU 136 Cb 1.73 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.06 3fhq h GLU 136 CO -0.31 0.00 0.23 -1.49 -0.73 0.00 0.00 179.01 176.72 3fhq h TRP 137 N 0.00 0.42 -0.22 0.92 6.55 -1.75 0.23 115.95 122.10 3fhq h TRP 137 Ca 0.21 0.02 0.03 0.00 0.95 0.00 0.00 58.89 60.10 3fhq h TRP 137 Cb 0.32 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 3fhq h TRP 137 CO -0.38 0.18 0.05 1.25 -1.05 0.00 0.00 178.44 178.49 3fhq h LEU 138 N 0.45 0.03 -0.87 -4.49 5.85 -1.26 -1.30 115.31 113.73 3fhq h LEU 138 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3fhq h LEU 138 Cb 0.19 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3fhq h LEU 138 CO -0.20 0.05 0.54 -0.33 -0.34 0.00 0.00 178.44 178.16 3fhq h GLU 139 N 0.14 1.16 -0.06 1.25 4.39 0.17 -1.55 114.58 120.08 3fhq h GLU 139 Ca 0.10 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3fhq h GLU 139 Cb 0.09 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3fhq h GLU 139 CO -0.12 0.80 -0.02 1.96 -1.16 0.00 0.00 179.01 180.47 3fhq h GLN 140 N 1.18 -0.01 -0.58 2.33 4.20 -0.32 -2.07 115.11 119.83 3fhq h GLN 140 Ca 0.31 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.09 3fhq h GLN 140 Cb -0.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3fhq h GLN 140 CO -0.06 -0.01 0.39 0.52 -0.67 0.00 0.00 178.83 179.00 3fhq h MET 141 N -0.01 0.52 -0.18 1.46 2.86 -0.86 -2.77 114.93 115.94 3fhq h MET 141 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fhq h MET 141 Cb 0.06 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fhq h MET 141 CO -0.07 0.34 0.00 1.28 1.06 0.00 0.00 176.91 179.52 3fhq n LEU 142 N -4.48 1.55 -4.74 1.22 4.77 -0.62 -4.56 117.00 110.15 3fhq n LEU 142 Ca 0.08 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 3fhq n LEU 142 Cb 0.26 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3fhq n LEU 142 CO 0.34 0.34 1.04 -0.62 -1.33 0.00 0.00 177.39 177.16 3fhq n GLU 143 N 0.26 2.44 -4.47 3.23 1.02 -0.93 -4.99 120.64 117.20 3fhq n GLU 143 Ca 0.15 0.86 -0.21 0.00 -0.02 0.00 0.00 57.16 57.93 3fhq n GLU 143 Cb 0.30 -2.53 -0.16 0.00 -0.02 0.00 0.00 31.44 29.03 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 -2.02 1.13 0.77 3.49 0.74 -1.26 -4.10 119.66 118.40 3fhq s GLN 144 Ca 0.54 -0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.50 3fhq s GLN 144 Cb -0.51 -1.03 0.07 0.00 1.10 0.00 0.00 33.01 32.64 3fhq s GLN 144 CO 0.63 0.13 1.12 -1.21 -0.55 0.00 0.00 175.29 175.41 3fhq s GLU 145 N 0.21 2.05 0.30 1.67 0.41 -0.43 -4.90 118.70 118.01 3fhq s GLU 145 Ca -0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 54.97 54.50 3fhq s GLU 145 Cb -0.10 -2.03 0.48 0.00 -1.78 0.00 0.00 34.13 30.71 3fhq s GLU 145 CO 0.01 -1.47 1.93 0.93 -0.49 0.00 0.00 175.26 176.17 3fhq h GLU 146 N -0.89 1.05 -1.55 1.61 5.08 -2.01 0.66 114.58 118.54 3fhq h GLU 146 Ca -0.45 -0.06 0.50 0.00 -1.00 0.00 0.00 59.36 58.35 3fhq h GLU 146 Cb 1.32 -0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 3fhq h GLU 146 CO 0.64 0.70 1.03 -3.47 -1.00 0.00 0.00 179.01 176.91 3fhq n ASP 147 N -4.45 0.15 0.00 1.42 -0.08 -1.26 -4.81 116.55 107.51 3fhq n ASP 147 Ca 0.12 1.27 0.00 0.00 -1.51 0.00 0.00 54.79 54.68 3fhq n ASP 147 Cb 0.13 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 42.96 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 -1.63 3.32 3.76 0.27 0.00 0.22 -5.06 105.19 106.08 3fhq n GLY 148 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.52 4.78 -0.34 1.61 1.04 -1.26 -4.66 113.70 114.35 3fhq s SER 149 Ca 0.00 2.01 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 3fhq s SER 149 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 3fhq s SER 149 CO 0.00 -1.85 0.10 -0.36 0.98 0.00 0.00 173.24 172.10 3fhq s PHE 150 N -2.44 3.28 0.31 5.02 0.08 -1.26 -1.31 117.98 121.66 3fhq s PHE 150 Ca 0.66 -1.59 0.03 0.00 0.12 0.00 0.00 56.93 56.16 3fhq s PHE 150 Cb -0.21 -2.34 0.63 0.00 -0.57 0.00 0.00 43.02 40.53 3fhq s PHE 150 CO 0.46 -0.77 1.86 -1.35 -0.10 0.00 0.00 175.22 175.32 3fhq h PRO 151 N 8.17 0.88 0.00 0.24 0.11 -1.90 -1.11 132.00 138.39 3fhq h PRO 151 Ca -0.22 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 3fhq h PRO 151 Cb 1.08 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3fhq h PRO 151 CO 0.60 0.58 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.52 3fhq h LEU 152 N 0.91 0.00 -0.77 2.35 4.07 -1.86 -1.76 115.31 118.25 3fhq h LEU 152 Ca 0.46 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.34 3fhq h LEU 152 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3fhq h LEU 152 CO -0.22 0.39 0.01 0.00 -1.08 0.00 0.00 178.44 177.54 3fhq h ALA 153 N 1.61 0.97 -0.49 1.53 0.00 -1.49 -1.34 119.26 120.06 3fhq h ALA 153 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3fhq h ALA 153 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fhq h ALA 153 CO 0.05 0.63 0.07 -0.44 0.00 0.00 0.00 179.25 179.56 3fhq h ASP 154 N 0.87 0.71 -0.02 0.00 3.32 -0.78 -1.64 116.42 118.89 3fhq h ASP 154 Ca 0.16 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3fhq h ASP 154 Cb 0.50 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3fhq h ASP 154 CO 0.02 0.73 -0.37 0.11 -1.72 0.00 0.00 179.24 178.02 3fhq h LYS 155 N 0.73 0.51 -0.30 3.56 1.79 -1.00 -0.49 116.57 121.37 3fhq h LYS 155 Ca 0.16 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3fhq h LYS 155 Cb 0.34 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3fhq h LYS 155 CO 0.01 0.81 0.17 -0.07 -1.08 0.00 0.00 179.45 179.29 3fhq h LEU 156 N 0.43 0.36 -0.51 2.94 3.38 -0.47 -0.35 115.31 121.09 3fhq h LEU 156 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3fhq h LEU 156 Cb 0.85 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3fhq h LEU 156 CO 0.07 0.32 0.15 -0.07 0.09 0.00 0.00 178.44 179.00 3fhq h LEU 157 N 0.37 0.75 -0.65 1.67 3.38 -1.19 -1.74 115.31 117.89 3fhq h LEU 157 Ca 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fhq h LEU 157 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3fhq h LEU 157 CO -0.02 0.76 0.26 -0.08 0.09 0.00 0.00 178.44 179.45 3fhq h GLU 158 N 0.70 0.97 -0.25 1.13 4.81 -0.95 -0.27 114.58 120.71 3fhq h GLU 158 Ca 0.16 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fhq h GLU 158 Cb 0.29 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3fhq h GLU 158 CO -0.00 0.82 0.16 0.28 -0.73 0.00 0.00 179.01 179.53 3fhq h VAL 159 N 0.92 1.09 -0.48 0.32 2.07 -0.96 0.42 116.25 119.62 3fhq h VAL 159 Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3fhq h VAL 159 Cb 0.21 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3fhq h VAL 159 CO -0.02 0.08 0.20 0.00 0.02 0.00 0.00 177.57 177.86 3fhq h ALA 160 N 1.06 1.47 -0.01 1.67 0.00 -1.08 0.23 119.26 122.60 3fhq h ALA 160 Ca 0.09 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3fhq h ALA 160 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fhq h ALA 160 CO -0.02 0.41 -0.37 0.22 0.00 0.00 0.00 179.25 179.49 3fhq h ASP 161 N 0.67 0.35 -0.00 0.00 3.58 -0.74 -1.22 116.42 119.06 3fhq h ASP 161 Ca 0.17 -0.75 -0.00 0.00 0.42 0.00 0.00 57.03 56.87 3fhq h ASP 161 Cb 0.11 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 3fhq h ASP 161 CO -0.02 1.05 -0.00 0.22 -2.88 0.00 0.00 179.24 177.61 3fhq h TYR 162 N -0.32 0.00 0.00 0.28 3.20 -0.73 -3.20 116.97 116.21 3fhq h TYR 162 Ca -0.04 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3fhq h TYR 162 Cb 1.10 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3fhq h TYR 162 CO 0.16 0.36 -0.27 1.88 -1.64 0.00 0.00 178.16 178.66 3fhq h TYR 163 N -0.36 0.00 -0.69 -3.82 0.05 -1.08 -3.44 116.97 107.63 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 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3fhq h TYR 163 CO 0.05 0.27 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 3fhq n GLY 164 N 0.70 0.73 1.94 3.88 0.00 -0.56 -0.19 105.19 111.69 3fhq n GLY 164 Ca 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.82 0.30 -1.21 1.61 -1.74 -0.63 -4.79 117.46 110.17 3fhq n PHE 165 Ca 0.00 -1.44 0.06 0.00 -0.56 0.00 0.00 57.45 55.51 3fhq n PHE 165 Cb 0.23 -0.07 0.20 0.00 1.52 0.00 0.00 39.48 41.36 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 -1.53 2.71 0.00 5.98 8.00 -0.52 -4.63 116.55 126.56 3fhq n ASP 166 Ca -0.07 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.09 3fhq n ASP 166 Cb 0.35 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.06 0.60 3.16 0.44 0.00 -1.26 0.02 105.19 107.09 3fhq n GLY 167 Ca 0.22 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.32 -0.14 -0.18 1.61 0.52 -0.49 -1.55 118.94 117.40 3fhq s TRP 168 Ca 0.00 0.27 -0.09 0.00 0.02 0.00 0.00 56.10 56.30 3fhq s TRP 168 Cb 0.00 0.05 -0.05 0.00 -1.15 0.00 0.00 33.47 32.32 3fhq s TRP 168 CO 0.00 -0.27 0.13 0.12 0.02 0.00 0.00 176.95 176.95 3fhq s PHE 169 N -0.86 3.45 -0.24 -1.98 5.36 0.91 -1.12 117.98 123.50 3fhq s PHE 169 Ca -0.09 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 3fhq s PHE 169 Cb -0.05 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 3fhq s PHE 169 CO 0.02 0.39 -0.02 0.42 -1.46 0.00 0.00 175.22 174.57 3fhq s ILE 170 N 0.04 3.39 -0.35 3.12 -1.09 0.21 -1.00 121.20 125.52 3fhq s ILE 170 Ca 0.10 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 3fhq s ILE 170 Cb -0.11 -2.61 0.10 0.00 -1.58 0.00 0.00 42.46 38.26 3fhq s ILE 170 CO -0.01 0.33 0.08 0.21 -1.23 0.00 0.00 174.94 174.32 3fhq s ASN 171 N 1.46 4.54 -0.60 3.58 2.47 -0.43 -1.41 114.94 124.55 3fhq s ASN 171 Ca 0.04 -2.12 -0.10 0.00 0.42 0.00 0.00 52.86 51.10 3fhq s ASN 171 Cb -0.15 -1.45 0.16 0.00 -1.45 0.00 0.00 41.25 38.36 3fhq s ASN 171 CO -0.02 -0.37 0.50 -1.58 -3.72 0.00 0.00 177.10 171.90 3fhq s GLN 172 N 0.95 2.87 0.00 0.43 -0.44 -1.26 -0.40 119.66 121.82 3fhq s GLN 172 Ca 0.11 -2.08 0.00 0.00 -2.50 0.00 0.00 55.36 50.89 3fhq s GLN 172 Cb -0.19 -4.09 0.00 0.00 -1.64 0.00 0.00 33.01 27.09 3fhq s GLN 172 CO -0.11 -1.24 0.92 0.39 0.50 0.00 0.00 175.29 175.75 3fhq n GLU 173 N 4.46 2.46 -2.58 1.67 1.02 -0.15 -3.62 120.64 123.90 3fhq n GLU 173 Ca -0.00 -1.34 -0.43 0.00 -0.02 0.00 0.00 57.16 55.37 3fhq n GLU 173 Cb 0.42 -0.95 -0.02 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.84 4.54 0.80 2.62 2.01 -1.15 -3.66 115.64 119.96 3fhq s THR 174 Ca 0.00 1.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.75 3fhq s THR 174 Cb 0.00 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.38 3fhq s THR 174 CO 0.00 -0.15 1.09 -1.61 -0.69 0.00 0.00 174.62 173.26 3fhq s GLU 175 N 3.20 2.08 0.00 4.92 8.01 -1.26 -4.45 118.70 131.19 3fhq s GLU 175 Ca 0.48 0.80 0.00 0.00 0.01 0.00 0.00 54.97 56.27 3fhq s GLU 175 Cb -0.18 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 3fhq s GLU 175 CO 0.10 -1.67 0.00 0.41 0.01 0.00 0.00 175.26 174.11 3fhq n GLY 176 N -1.75 0.81 3.74 -1.39 0.00 -1.26 -4.68 105.19 100.67 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 -2.00 3.43 0.69 4.61 0.00 -1.26 -5.07 121.76 122.15 3fhq s ALA 177 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 3fhq s ALA 177 Cb 0.00 -2.82 0.10 0.00 0.00 0.00 0.00 23.12 20.41 3fhq s ALA 177 CO 0.00 0.07 0.68 -0.40 0.00 0.00 0.00 175.76 176.11 3fhq n ASP 178 N 3.10 0.71 0.23 0.00 5.68 -1.26 -4.02 116.55 120.98 3fhq n ASP 178 Ca -0.05 -1.64 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 3fhq n ASP 178 Cb 0.51 -0.46 0.53 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.58 0.11 4.81 -1.74 -2.47 114.58 114.71 3fhq h GLU 179 Ca -0.22 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 3fhq h GLU 179 Cb 0.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3fhq h GLU 179 CO 0.22 0.24 -0.06 0.78 -0.73 0.00 0.00 179.01 179.46 3fhq h GLY 180 N 1.33 1.14 0.95 1.92 0.00 -1.92 -1.50 103.07 105.00 3fhq h GLY 180 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3fhq h GLY 180 CO 0.03 0.81 0.18 -0.84 0.00 0.00 0.00 176.54 176.71 3fhq h THR 181 N 0.95 1.17 -0.14 4.70 2.02 -1.84 -1.48 112.91 118.28 3fhq h THR 181 Ca 0.16 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3fhq h THR 181 Cb 0.62 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3fhq h THR 181 CO 0.04 0.18 -0.14 0.00 0.37 0.00 0.00 175.52 175.97 3fhq h ALA 182 N 1.03 -0.04 -0.59 6.16 0.00 -1.26 0.10 119.26 124.67 3fhq h ALA 182 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fhq h ALA 182 Cb 0.12 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3fhq h ALA 182 CO -0.02 -0.58 0.37 0.93 0.00 0.00 0.00 179.25 179.95 3fhq h GLU 183 N -0.16 0.78 -0.46 0.00 5.08 -1.18 -1.01 114.58 117.64 3fhq h GLU 183 Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3fhq h GLU 183 Cb 0.30 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3fhq h GLU 183 CO -0.23 0.54 -0.06 0.00 -1.00 0.00 0.00 179.01 178.26 3fhq h ALA 184 N 1.60 0.62 -0.68 3.43 0.00 -0.39 -0.01 119.26 123.83 3fhq h ALA 184 Ca 0.21 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3fhq h ALA 184 Cb -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3fhq h ALA 184 CO -0.04 0.47 0.41 1.98 0.00 0.00 0.00 179.25 182.07 3fhq h MET 185 N 0.69 0.77 -0.66 0.00 1.85 -0.18 0.45 114.93 117.85 3fhq h MET 185 Ca 0.12 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 3fhq h MET 185 Cb 0.58 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 3fhq h MET 185 CO 0.03 0.51 0.32 1.96 -0.40 0.00 0.00 176.91 179.34 3fhq h GLN 186 N 0.80 0.95 -0.53 0.39 4.20 -0.87 0.10 115.11 120.15 3fhq h GLN 186 Ca 0.28 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3fhq h GLN 186 Cb 0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3fhq h GLN 186 CO -0.13 0.75 0.20 0.00 -0.67 0.00 0.00 178.83 178.99 3fhq h ALA 187 N 1.15 0.69 -0.06 3.87 0.00 -0.40 -1.08 119.26 123.43 3fhq h ALA 187 Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fhq h ALA 187 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fhq h ALA 187 CO -0.03 0.31 -0.05 0.35 0.00 0.00 0.00 179.25 179.83 3fhq h PHE 188 N 0.72 -0.13 -0.65 0.00 3.57 0.33 0.20 116.94 120.97 3fhq h PHE 188 Ca 0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3fhq h PHE 188 Cb 0.22 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3fhq h PHE 188 CO 0.01 -0.09 0.41 -0.07 -2.23 0.00 0.00 178.31 176.34 3fhq h LEU 189 N -0.07 0.77 -0.82 0.59 3.38 -0.67 -1.23 115.31 117.27 3fhq h LEU 189 Ca 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3fhq h LEU 189 Cb 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3fhq h LEU 189 CO -0.10 0.59 0.41 0.58 0.09 0.00 0.00 178.44 180.01 3fhq h VAL 190 N 0.89 1.25 -0.69 1.22 2.07 -0.94 -1.46 116.25 118.59 3fhq h VAL 190 Ca 0.24 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3fhq h VAL 190 Cb -0.05 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3fhq h VAL 190 CO -0.05 0.30 0.40 0.22 0.02 0.00 0.00 177.57 178.46 3fhq h TYR 191 N 1.15 0.92 -0.34 1.57 3.20 -0.19 -1.88 116.97 121.41 3fhq h TYR 191 Ca 0.28 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3fhq h TYR 191 Cb 0.10 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 3fhq h TYR 191 CO 0.01 0.63 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.02 3fhq h LEU 192 N 0.94 -0.30 -1.29 2.82 4.07 -0.75 -1.18 115.31 119.62 3fhq h LEU 192 Ca 0.25 0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.39 3fhq h LEU 192 Cb -0.01 0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.88 3fhq h LEU 192 CO -0.04 -0.10 0.53 1.56 -1.08 0.00 0.00 178.44 179.30 3fhq h GLN 193 N 0.01 0.80 0.00 1.13 1.08 -0.62 0.13 115.11 117.63 3fhq h GLN 193 Ca 0.16 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 3fhq h GLN 193 Cb 0.24 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3fhq h GLN 193 CO -0.34 0.53 -0.65 0.93 -0.95 0.00 0.00 178.83 178.35 3fhq h GLU 194 N 0.82 0.00 0.00 1.46 5.08 -0.91 -3.35 114.58 117.69 3fhq h GLU 194 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3fhq h GLU 194 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fhq h GLU 194 CO -0.14 0.65 -1.50 1.04 -1.00 0.00 0.00 179.01 178.06 3fhq n GLN 195 N -3.29 0.78 -1.70 2.33 1.13 -0.49 -4.97 117.38 111.18 3fhq n GLN 195 Ca 0.01 -0.11 -0.35 0.00 -1.94 0.00 0.00 57.00 54.60 3fhq n GLN 195 Cb 0.78 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.82 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 -3.04 2.51 0.65 -1.09 -2.85 0.38 -4.99 119.74 111.31 3fhq s LYS 196 Ca -0.03 1.86 -0.17 0.00 -1.00 0.00 0.00 55.97 56.64 3fhq s LYS 196 Cb 0.12 -1.87 -0.00 0.00 -2.06 0.00 0.00 37.83 34.02 3fhq s LYS 196 CO 0.72 -1.57 1.18 -2.14 0.10 0.00 0.00 175.35 173.64 3fhq s PRO 197 N -3.60 2.66 0.33 1.78 0.02 -1.26 -4.97 135.00 129.97 3fhq s PRO 197 Ca 0.77 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 3fhq s PRO 197 Cb -0.32 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.18 3fhq s PRO 197 CO 0.40 -1.41 1.37 -1.91 -0.33 0.00 0.00 177.00 175.12 3fhq n GLU 198 N -2.16 2.27 0.00 5.54 2.13 -1.26 -2.25 120.64 124.91 3fhq n GLU 198 Ca 0.13 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.74 3fhq n GLU 198 Cb 0.50 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.78 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 1.05 3.04 3.76 8.31 0.00 -1.26 -5.04 105.19 115.05 3fhq n GLY 199 Ca 0.05 0.00 -0.39 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 -0.19 3.69 -0.10 1.61 -2.45 -0.95 -4.98 119.30 115.91 3fhq s MET 200 Ca 0.00 2.24 0.02 0.00 -1.25 0.00 0.00 55.69 56.70 3fhq s MET 200 Cb 0.00 -2.59 0.01 0.00 1.25 0.00 0.00 34.83 33.50 3fhq s MET 200 CO 0.00 -0.75 -0.17 -1.58 1.05 0.00 0.00 175.02 173.57 3fhq s HIS 201 N -1.27 2.06 -0.22 4.11 2.46 0.10 -4.96 115.29 117.57 3fhq s HIS 201 Ca 0.62 -0.94 -0.02 0.00 0.47 0.00 0.00 55.06 55.19 3fhq s HIS 201 Cb -0.40 -1.46 0.01 0.00 -0.13 0.00 0.00 32.58 30.60 3fhq s HIS 201 CO 0.50 -0.46 -0.08 0.42 -2.47 0.00 0.00 174.74 172.65 3fhq s ILE 202 N 0.84 2.95 -0.16 0.89 -1.09 -1.26 -1.39 121.20 121.98 3fhq s ILE 202 Ca -0.09 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 3fhq s ILE 202 Cb -0.15 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 3fhq s ILE 202 CO 0.01 0.38 -0.08 -0.32 -1.23 0.00 0.00 174.94 173.70 3fhq s MET 203 N 1.40 3.50 -0.09 2.79 -2.45 -0.28 -1.00 119.30 123.17 3fhq s MET 203 Ca 0.04 -0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 3fhq s MET 203 Cb -0.15 -2.81 -0.03 0.00 1.25 0.00 0.00 34.83 33.09 3fhq s MET 203 CO -0.06 0.16 0.02 -0.46 1.05 0.00 0.00 175.02 175.73 3fhq s TRP 204 N 0.55 3.23 0.26 4.11 -0.11 -0.52 -0.62 118.94 125.83 3fhq s TRP 204 Ca -0.05 0.23 -0.29 0.00 1.22 0.00 0.00 56.10 57.21 3fhq s TRP 204 Cb -0.15 -1.82 -0.09 0.00 -1.50 0.00 0.00 33.47 29.91 3fhq s TRP 204 CO 0.03 0.49 0.96 -0.47 -4.62 0.00 0.00 176.95 173.35 3fhq s TYR 205 N -0.85 3.89 -0.86 5.86 5.04 -0.50 -0.53 117.35 129.41 3fhq s TYR 205 Ca 0.13 1.87 -0.25 0.00 -2.44 0.00 0.00 57.07 56.38 3fhq s TYR 205 Cb -0.11 -3.01 -0.20 0.00 0.35 0.00 0.00 41.96 38.98 3fhq s TYR 205 CO 0.02 0.29 1.92 -3.47 -1.34 0.00 0.00 175.55 172.97 3fhq n ASP 206 N 1.31 2.05 0.00 4.32 2.03 -0.26 -4.60 116.55 121.40 3fhq n ASP 206 Ca -0.01 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.70 3fhq n ASP 206 Cb 0.47 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3fhq n ASP 206 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3fhq n SER 207 N 13.86 0.00 -4.67 1.67 3.41 -1.26 -4.18 113.62 122.45 3fhq n SER 207 Ca 0.45 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.64 3fhq n SER 207 Cb 0.45 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.55 4.21 0.37 4.33 -2.45 -1.24 -1.60 119.30 122.38 3fhq s MET 208 Ca 0.00 2.03 -0.02 0.00 -1.25 0.00 0.00 55.69 56.45 3fhq s MET 208 Cb 0.00 -3.83 0.08 0.00 1.25 0.00 0.00 34.83 32.32 3fhq s MET 208 CO 0.00 -0.75 0.50 0.44 1.05 0.00 0.00 175.02 176.26 3fhq n ILE 209 N 5.25 0.00 0.02 10.11 -5.35 -0.37 -4.90 119.36 124.13 3fhq n ILE 209 Ca 0.16 -0.67 0.10 0.00 -0.27 0.00 0.00 62.75 62.07 3fhq n ILE 209 Cb 0.43 -1.30 0.53 0.00 -1.74 0.00 0.00 39.64 37.56 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 -0.41 0.28 0.91 7.28 3.04 -1.46 -0.85 116.42 125.22 3fhq h ASP 210 Ca -0.17 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 3fhq h ASP 210 Cb 0.57 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 3fhq h ASP 210 CO 0.16 0.19 0.00 0.35 -2.04 0.00 0.00 179.24 177.90 3fhq n THR 211 N -4.48 0.27 0.00 1.15 -2.24 -1.26 -4.72 114.28 103.00 3fhq n THR 211 Ca 0.05 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3fhq n THR 211 Cb 0.25 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.13 2.16 3.74 3.38 0.00 -0.32 -2.22 105.19 113.06 3fhq n GLY 212 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.35 2.26 -0.33 4.61 0.00 -1.26 -4.33 121.76 120.35 3fhq s ALA 213 Ca 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3fhq s ALA 213 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3fhq s ALA 213 CO 0.00 -1.64 0.51 0.42 0.00 0.00 0.00 175.76 175.05 3fhq s ILE 214 N -1.99 5.03 -0.48 0.00 1.01 -1.26 -1.23 121.20 122.28 3fhq s ILE 214 Ca 0.73 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.91 3fhq s ILE 214 Cb -0.28 -3.93 0.23 0.00 0.01 0.00 0.00 42.46 38.50 3fhq s ILE 214 CO 0.42 -0.15 0.83 0.00 0.00 0.00 0.00 174.94 176.04 3fhq n ALA 215 N 5.70 -1.06 -1.38 9.38 0.00 -0.63 -4.99 120.51 127.54 3fhq n ALA 215 Ca -0.05 -1.57 -0.54 0.00 0.00 0.00 0.00 53.44 51.29 3fhq n ALA 215 Cb 0.49 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 1.81 0.73 -0.03 0.00 8.01 -1.23 -4.77 117.44 121.95 3fhq n TRP 216 Ca 0.12 0.97 -0.05 0.00 -1.31 0.00 0.00 57.50 57.22 3fhq n TRP 216 Cb 0.61 -1.90 -0.13 0.00 -2.01 0.00 0.00 31.31 27.87 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 1.69 0.65 -0.90 -0.99 1.13 -1.26 -4.96 117.38 112.73 3fhq n GLN 217 Ca 0.19 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 3fhq n GLN 217 Cb 0.05 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.73 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 -2.82 -2.54 -3.76 1.08 3.02 -1.26 -4.90 115.26 104.07 3fhq n ASN 218 Ca -0.19 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.27 3fhq n ASN 218 Cb 0.99 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.98 -0.15 -0.23 3.10 3.76 -1.26 -4.62 115.29 113.91 3fhq s HIS 219 Ca 0.00 -0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.40 3fhq s HIS 219 Cb 0.00 0.50 0.00 0.00 1.11 0.00 0.00 32.58 34.19 3fhq s HIS 219 CO 0.00 -1.02 1.11 -1.17 -0.85 0.00 0.00 174.74 172.81 3fhq s LEU 220 N -2.89 4.09 0.00 0.89 2.96 -1.26 -4.95 118.68 117.52 3fhq s LEU 220 Ca 0.10 1.41 0.03 0.00 -0.22 0.00 0.00 54.13 55.45 3fhq s LEU 220 Cb -0.03 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3fhq s LEU 220 CO 0.00 -0.74 0.12 0.35 -1.32 0.00 0.00 176.35 174.76 3fhq n THR 221 N 5.44 0.00 0.27 3.68 -2.24 -1.26 -4.54 114.28 115.63 3fhq n THR 221 Ca 0.13 -2.17 0.14 0.00 -2.27 0.00 0.00 64.05 59.88 3fhq n THR 221 Cb 0.46 0.74 0.73 0.00 -2.10 0.00 0.00 70.33 70.16 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 1.43 0.00 1.47 3.42 3.32 -2.00 -0.56 116.42 123.50 3fhq h ASP 222 Ca -0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3fhq h ASP 222 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3fhq h ASP 222 CO 0.48 0.10 -0.23 0.03 -1.72 0.00 0.00 179.24 177.90 3fhq h ARG 223 N 0.00 0.00 0.00 3.56 2.47 -1.98 -3.37 114.38 115.06 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 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3fhq h ARG 223 CO 0.01 0.23 0.00 0.27 0.56 0.00 0.00 179.97 181.04 3fhq n ASN 224 N -3.21 0.38 0.26 7.04 0.23 -1.07 -1.14 115.26 117.75 3fhq n ASN 224 Ca 0.02 -0.74 0.12 0.00 -0.53 0.00 0.00 54.58 53.45 3fhq n ASN 224 Cb 0.56 0.23 0.73 0.00 -2.08 0.00 0.00 39.78 39.21 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 -1.27 -1.88 116.57 111.69 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 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3fhq h LYS 225 CO 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 3fhq n MET 226 N -3.70 0.11 0.00 0.07 0.00 -1.26 -1.27 117.12 111.07 3fhq n MET 226 Ca -0.02 0.20 0.11 0.00 0.00 0.00 0.00 57.70 57.99 3fhq n MET 226 Cb 0.22 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 32.07 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 -1.39 0.01 -0.09 3.17 4.01 -0.70 -4.40 117.16 117.77 3fhq n TYR 227 Ca 0.05 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3fhq n TYR 227 Cb 0.14 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.52 1.46 -3.70 7.72 7.94 -0.53 -3.60 117.00 124.77 3fhq n LEU 228 Ca 0.05 0.25 -0.13 0.00 -1.11 0.00 0.00 56.01 55.07 3fhq n LEU 228 Cb 0.34 -0.59 -0.09 0.00 0.53 0.00 0.00 43.42 43.60 3fhq n LEU 228 CO 0.38 0.20 0.15 -1.58 -1.11 0.00 0.00 177.39 175.43 3fhq s GLN 229 N -2.43 0.54 -0.31 1.96 2.00 -0.40 -1.43 119.66 119.59 3fhq s GLN 229 Ca -0.26 0.72 -0.00 0.00 -2.00 0.00 0.00 55.36 53.82 3fhq s GLN 229 Cb 0.09 0.22 0.10 0.00 0.80 0.00 0.00 33.01 34.21 3fhq s GLN 229 CO 0.33 -0.09 0.09 1.21 -0.50 0.00 0.00 175.29 176.34 3fhq s ASN 230 N 0.52 4.07 1.56 6.67 3.84 0.01 -4.14 114.94 127.48 3fhq s ASN 230 Ca -0.02 -1.66 0.00 0.00 0.21 0.00 0.00 52.86 51.39 3fhq s ASN 230 Cb -0.04 -0.93 0.00 0.00 -0.55 0.00 0.00 41.25 39.72 3fhq s ASN 230 CO -0.03 -0.41 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 3fhq n GLY 231 N 4.79 3.37 0.79 1.21 0.00 -1.26 -1.24 105.19 112.85 3fhq n GLY 231 Ca -0.02 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 8.06 2.58 -4.72 1.61 3.41 -1.26 -4.87 113.62 118.43 3fhq n SER 232 Ca 0.00 -1.81 -0.38 0.00 -0.26 0.00 0.00 58.87 56.41 3fhq n SER 232 Cb 0.00 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 5.14 -0.11 6.66 2.01 -0.37 -5.05 115.64 121.81 3fhq s THR 233 Ca 0.27 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 63.16 3fhq s THR 233 Cb 0.20 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3fhq s THR 233 CO 0.36 0.30 0.71 -0.60 -0.69 0.00 0.00 174.62 174.70 3fhq s ARG 234 N 0.70 4.37 -0.25 4.92 3.52 -1.26 -0.81 118.95 130.13 3fhq s ARG 234 Ca 0.30 0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 56.75 3fhq s ARG 234 Cb -0.16 -3.50 -0.16 0.00 -1.56 0.00 0.00 34.95 29.58 3fhq s ARG 234 CO 0.13 -0.07 -0.24 0.28 -0.81 0.00 0.00 175.30 174.59 3fhq n VAL 235 N 4.13 1.44 -3.80 7.11 0.31 -0.52 -4.65 118.33 122.36 3fhq n VAL 235 Ca -0.00 -0.52 -0.10 0.00 -0.01 0.00 0.00 64.34 63.71 3fhq n VAL 235 Cb 0.51 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.50 -0.45 -0.15 3.52 0.00 -0.90 -3.88 121.76 117.40 3fhq s ALA 236 Ca -0.34 -0.36 0.20 0.00 0.00 0.00 0.00 51.96 51.46 3fhq s ALA 236 Cb 0.10 0.46 0.40 0.00 0.00 0.00 0.00 23.12 24.08 3fhq s ALA 236 CO 0.56 -0.49 1.61 -0.44 0.00 0.00 0.00 175.76 176.99 3fhq h ASP 237 N 2.88 0.00 -5.24 0.00 3.32 -1.37 -3.45 116.42 112.55 3fhq h ASP 237 Ca -0.33 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.89 3fhq h ASP 237 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 3fhq h ASP 237 CO 0.52 0.28 0.48 -0.94 -1.72 0.00 0.00 179.24 177.86 3fhq s SER 238 N -6.29 -0.20 -0.03 6.45 1.04 -1.20 -4.86 113.70 108.61 3fhq s SER 238 Ca 0.04 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.13 3fhq s SER 238 Cb 0.08 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.69 3fhq s SER 238 CO 0.69 -0.87 -0.04 -0.32 0.98 0.00 0.00 173.24 173.68 3fhq s MET 239 N -3.27 0.65 -0.46 4.02 1.75 -0.21 -1.44 119.30 120.34 3fhq s MET 239 Ca 0.11 -0.10 -0.19 0.00 -1.25 0.00 0.00 55.69 54.26 3fhq s MET 239 Cb -0.01 -0.68 0.04 0.00 2.84 0.00 0.00 34.83 37.02 3fhq s MET 239 CO 0.01 -0.03 0.57 0.12 -0.65 0.00 0.00 175.02 175.04 3fhq s PHE 240 N 0.65 3.09 0.15 4.11 5.36 0.32 -0.19 117.98 131.47 3fhq s PHE 240 Ca -0.08 -0.35 -0.30 0.00 -0.96 0.00 0.00 56.93 55.24 3fhq s PHE 240 Cb -0.11 -3.29 -0.07 0.00 -0.34 0.00 0.00 43.02 39.20 3fhq s PHE 240 CO -0.00 -0.88 1.19 -0.51 -1.46 0.00 0.00 175.22 173.56 3fhq s LEU 241 N 2.54 4.43 1.04 6.12 1.02 0.22 -1.10 118.68 132.94 3fhq s LEU 241 Ca 0.16 2.17 -0.11 0.00 0.02 0.00 0.00 54.13 56.37 3fhq s LEU 241 Cb -0.17 -3.60 0.21 0.00 0.02 0.00 0.00 46.19 42.65 3fhq s LEU 241 CO 0.15 -0.39 1.09 0.21 0.02 0.00 0.00 176.35 177.43 3fhq s ASN 242 N 0.36 1.97 0.44 2.29 2.47 -1.26 -1.03 114.94 120.18 3fhq s ASN 242 Ca 0.54 1.86 0.24 0.00 0.42 0.00 0.00 52.86 55.93 3fhq s ASN 242 Cb -0.32 -2.44 0.61 0.00 -1.45 0.00 0.00 41.25 37.65 3fhq s ASN 242 CO 0.34 -3.64 1.70 -0.26 -3.72 0.00 0.00 177.10 171.52 3fhq h PHE 243 N -2.24 0.00 -1.01 0.43 -1.00 -1.91 -3.39 116.94 107.82 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 0.39 0.12 2.53 0.91 -1.61 0.00 0.00 178.31 180.64 3fhq n TRP 244 N -3.16 2.72 -4.30 -0.55 8.01 -1.26 -4.88 117.44 114.02 3fhq n TRP 244 Ca 0.02 -2.85 -0.24 0.00 -1.31 0.00 0.00 57.50 53.12 3fhq n TRP 244 Cb 0.50 -1.99 -0.12 0.00 -2.01 0.00 0.00 31.31 27.69 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 -0.03 1.80 -0.02 -5.99 1.48 -1.26 -4.87 118.94 110.05 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 0.15 -0.97 -0.08 0.00 -1.16 0.00 0.00 33.47 31.42 3fhq s TRP 245 CO -0.06 0.23 0.11 0.54 -4.06 0.00 0.00 176.95 173.72 3fhq n ARG 246 N 0.91 0.47 -3.65 3.25 5.12 -1.26 -4.85 116.66 116.65 3fhq n ARG 246 Ca -0.18 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.55 3fhq n ARG 246 Cb 0.54 -1.09 -0.07 0.00 -1.16 0.00 0.00 32.46 30.68 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 -2.50 -0.35 0.00 0.55 2.15 -1.26 -4.02 116.67 111.23 3fhq s ASP 247 Ca -0.02 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.16 3fhq s ASP 247 Cb 0.03 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 3fhq s ASP 247 CO 0.21 -0.60 0.65 0.00 -0.17 0.00 0.00 175.17 175.25 3fhq n GLN 248 N 0.79 1.05 -0.26 4.34 1.13 -0.46 -4.74 117.38 119.22 3fhq n GLN 248 Ca -0.19 -0.86 0.06 0.00 -1.94 0.00 0.00 57.00 54.07 3fhq n GLN 248 Cb 0.58 -0.81 0.20 0.00 0.11 0.00 0.00 30.24 30.32 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 0.42 -0.48 -1.09 2.43 -1.92 -1.98 114.38 111.77 3fhq h ARG 249 Ca 0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3fhq h ARG 249 Cb 0.52 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3fhq h ARG 249 CO 0.00 0.28 0.14 -0.56 -1.51 0.00 0.00 179.97 178.32 3fhq h GLN 250 N 0.44 0.71 -0.29 0.20 3.07 -1.97 -0.50 115.11 116.76 3fhq h GLN 250 Ca 0.43 -0.12 -0.14 0.00 0.09 0.00 0.00 58.65 58.91 3fhq h GLN 250 Cb 0.68 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 28.12 3fhq h GLN 250 CO -0.42 0.62 -0.37 0.77 0.09 0.00 0.00 178.83 179.52 3fhq h SER 251 N 0.69 0.83 -0.03 0.06 0.02 -1.62 -1.22 113.55 112.29 3fhq h SER 251 Ca 0.16 -0.50 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3fhq h SER 251 Cb 0.22 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 3fhq h SER 251 CO -0.01 1.16 -0.27 -1.13 -1.14 0.00 0.00 176.83 175.44 3fhq h ASN 252 N 0.52 -0.81 -0.56 3.07 -0.73 -0.94 0.18 115.58 116.32 3fhq h ASN 252 Ca 0.04 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.37 3fhq h ASN 252 Cb 0.96 0.33 -0.05 0.00 0.27 0.00 0.00 38.32 39.83 3fhq h ASN 252 CO 0.09 -0.33 0.28 -0.33 -0.37 0.00 0.00 177.43 176.77 3fhq h GLU 253 N -0.40 0.52 -0.69 6.67 5.08 -1.03 -1.39 114.58 123.33 3fhq h GLU 253 Ca 0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3fhq h GLU 253 Cb 0.50 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3fhq h GLU 253 CO -0.25 0.34 0.18 1.25 -1.00 0.00 0.00 179.01 179.53 3fhq h LEU 254 N 0.53 1.03 -0.64 1.33 5.85 -1.05 -2.00 115.31 120.35 3fhq h LEU 254 Ca 0.26 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3fhq h LEU 254 Cb 0.18 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3fhq h LEU 254 CO -0.19 0.98 0.33 0.00 -0.34 0.00 0.00 178.44 179.23 3fhq h ALA 255 N 1.15 0.83 -0.60 1.25 0.00 -0.50 -1.15 119.26 120.23 3fhq h ALA 255 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fhq h ALA 255 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3fhq h ALA 255 CO -0.00 0.37 0.37 1.96 0.00 0.00 0.00 179.25 181.94 3fhq h GLN 256 N 0.88 0.81 0.00 0.00 4.20 -1.07 0.68 115.11 120.62 3fhq h GLN 256 Ca 0.22 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3fhq h GLN 256 Cb 0.08 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3fhq h GLN 256 CO -0.03 0.58 -0.14 0.00 -0.67 0.00 0.00 178.83 178.57 3fhq h ALA 257 N 1.19 1.47 -0.00 3.87 0.00 -0.93 -0.49 119.26 124.37 3fhq h ALA 257 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fhq h ALA 257 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fhq h ALA 257 CO -0.04 0.17 -0.14 1.28 0.00 0.00 0.00 179.25 180.52 3fhq n LEU 258 N -3.94 0.17 -0.76 0.00 4.77 -0.47 -4.92 117.00 111.85 3fhq n LEU 258 Ca -0.02 0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3fhq n LEU 258 Cb 0.23 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3fhq n LEU 258 CO 0.32 0.04 -0.07 0.61 -1.33 0.00 0.00 177.39 176.96 3fhq n GLY 259 N 1.47 0.14 3.43 -0.72 0.00 -0.19 -4.96 105.19 104.36 3fhq n GLY 259 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.38 1.56 0.19 1.61 1.81 0.17 -5.02 118.95 114.88 3fhq s ARG 260 Ca 0.01 -1.43 -0.31 0.00 -1.72 0.00 0.00 55.73 52.29 3fhq s ARG 260 Cb -0.01 -1.91 -0.10 0.00 -0.45 0.00 0.00 34.95 32.49 3fhq s ARG 260 CO 0.01 0.42 1.49 0.45 -0.68 0.00 0.00 175.30 177.00 3fhq s SER 261 N -2.48 6.65 0.49 0.23 0.15 -1.26 -3.60 113.70 113.88 3fhq s SER 261 Ca 0.19 2.58 0.28 0.00 0.70 0.00 0.00 55.95 59.70 3fhq s SER 261 Cb -0.09 -2.60 1.53 0.00 -1.71 0.00 0.00 66.02 63.15 3fhq s SER 261 CO 0.09 -0.75 1.84 -0.65 1.20 0.00 0.00 173.24 174.98 3fhq h PRO 262 N 6.16 0.00 -0.48 5.44 0.11 -1.86 -2.09 132.00 139.28 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 -2.57 0.68 1.01 0.65 4.02 -1.26 -2.45 117.16 117.23 3fhq n TYR 263 Ca -0.02 -0.31 0.12 0.00 -0.01 0.00 0.00 57.90 57.68 3fhq n TYR 263 Cb 0.17 -0.06 0.30 0.00 -0.02 0.00 0.00 39.34 39.73 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 0.69 2.43 -4.58 7.72 8.00 -0.79 -4.50 116.55 125.52 3fhq n ASP 264 Ca 0.15 -1.81 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 3fhq n ASP 264 Cb 0.43 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.77 3.62 -0.40 0.64 1.43 -1.03 -1.05 118.68 120.13 3fhq s LEU 265 Ca 0.34 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3fhq s LEU 265 Cb 0.20 -1.90 0.10 0.00 0.03 0.00 0.00 46.19 44.62 3fhq s LEU 265 CO 0.30 0.16 0.18 -0.31 0.23 0.00 0.00 176.35 176.92 3fhq s TYR 266 N 0.42 3.53 -0.03 0.29 2.02 0.73 -0.36 117.35 123.96 3fhq s TYR 266 Ca 0.01 -2.28 -0.30 0.00 -0.37 0.00 0.00 57.07 54.13 3fhq s TYR 266 Cb -0.13 -3.06 -0.08 0.00 -0.40 0.00 0.00 41.96 38.29 3fhq s TYR 266 CO 0.01 -0.94 1.99 0.00 -1.57 0.00 0.00 175.55 175.04 3fhq s ALA 267 N 1.18 3.39 0.27 3.71 0.00 0.11 -0.61 121.76 129.81 3fhq s ALA 267 Ca 0.06 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3fhq s ALA 267 Cb -0.22 -3.89 -0.09 0.00 0.00 0.00 0.00 23.12 18.91 3fhq s ALA 267 CO -0.03 -1.84 0.96 0.20 0.00 0.00 0.00 175.76 175.05 3fhq s GLY 268 N 5.19 3.01 -0.08 0.00 0.00 -0.20 -0.33 107.32 114.92 3fhq s GLY 268 Ca 0.90 0.63 0.02 0.00 0.00 0.00 0.00 44.72 46.26 3fhq s GLY 268 CO 0.39 1.16 -0.12 0.14 0.00 0.00 0.00 173.10 174.67 3fhq s VAL 269 N -1.32 1.14 -0.52 1.40 1.01 0.20 -4.35 120.40 117.96 3fhq s VAL 269 Ca 0.45 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3fhq s VAL 269 Cb -0.24 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.13 3fhq s VAL 269 CO 0.30 0.36 0.74 -0.62 0.00 0.00 0.00 175.10 175.88 3fhq s ASP 270 N 0.86 6.26 -0.00 3.32 -1.08 -1.26 -1.18 116.67 123.59 3fhq s ASP 270 Ca -0.11 -0.73 0.10 0.00 -0.52 0.00 0.00 52.55 51.29 3fhq s ASP 270 Cb -0.15 -2.34 0.28 0.00 -1.46 0.00 0.00 42.92 39.24 3fhq s ASP 270 CO 0.01 -1.01 1.23 1.33 0.52 0.00 0.00 175.17 177.25 3fhq n VAL 271 N 5.81 1.01 -0.17 1.11 0.24 -0.99 -4.74 118.33 120.61 3fhq n VAL 271 Ca -0.04 -1.01 -0.06 0.00 -2.04 0.00 0.00 64.34 61.19 3fhq n VAL 271 Cb 0.46 0.49 0.03 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.81 0.62 0.12 7.34 4.81 -1.73 -0.44 114.58 127.12 3fhq h GLU 272 Ca 0.00 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 3fhq h GLU 272 Cb 0.71 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3fhq h GLU 272 CO 0.00 0.41 -1.23 0.00 -0.73 0.00 0.00 179.01 177.46 3fhq h ALA 273 N 1.21 0.10 0.00 2.92 0.00 -1.91 -3.40 119.26 118.17 3fhq h ALA 273 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3fhq h ALA 273 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fhq h ALA 273 CO -0.07 0.98 0.00 0.54 0.00 0.00 0.00 179.25 180.70 3fhq n ARG 274 N -3.53 4.52 0.00 0.00 1.74 -1.19 -5.07 116.66 113.13 3fhq n ARG 274 Ca -0.08 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3fhq n ARG 274 Cb 1.02 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 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 0.66 2.91 0.01 -0.13 0.00 -0.18 -0.46 105.19 108.00 3fhq n GLY 275 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 1.20 0.46 2.61 -2.24 -1.26 -1.35 114.28 113.69 3fhq n THR 276 Ca 0.00 0.31 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 3fhq n THR 276 Cb 0.00 -1.12 0.21 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.56 2.59 -4.67 3.42 7.64 0.39 -4.61 113.62 116.83 3fhq n SER 277 Ca 0.03 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.48 3fhq n SER 277 Cb 0.14 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.35 4.18 0.17 0.44 2.01 -0.46 -4.96 115.64 115.67 3fhq s THR 278 Ca 0.32 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 3fhq s THR 278 Cb 0.17 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 3fhq s THR 278 CO 0.22 -0.08 1.22 -2.84 -0.69 0.00 0.00 174.62 172.45 3fhq s PRO 279 N 3.04 4.46 -0.01 4.92 0.02 -1.26 -4.96 135.00 141.22 3fhq s PRO 279 Ca 0.57 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.49 3fhq s PRO 279 Cb -0.24 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.04 3fhq s PRO 279 CO 0.19 -0.15 0.01 0.08 -0.33 0.00 0.00 177.00 176.80 3fhq s VAL 280 N 0.16 -0.02 -1.38 3.83 1.01 -1.26 -5.02 120.40 117.72 3fhq s VAL 280 Ca 0.55 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 3fhq s VAL 280 Cb -0.33 -0.03 0.09 0.00 0.00 0.00 0.00 36.38 36.10 3fhq s VAL 280 CO 0.36 0.03 2.06 0.00 0.00 0.00 0.00 175.10 177.55 3fhq n GLN 281 N 3.43 3.14 -0.32 2.72 1.13 -1.26 -4.82 117.38 121.40 3fhq n GLN 281 Ca -0.17 -2.98 0.06 0.00 -1.94 0.00 0.00 57.00 51.97 3fhq n GLN 281 Cb 0.57 -3.17 0.26 0.00 0.11 0.00 0.00 30.24 28.00 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 6.04 1.05 -0.32 1.08 4.06 -1.96 0.58 115.95 126.48 3fhq h TRP 282 Ca 0.50 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.55 3fhq h TRP 282 Cb 0.66 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3fhq h TRP 282 CO 1.38 0.48 0.22 0.93 -3.56 0.00 0.00 178.44 177.89 3fhq h GLU 283 N 0.97 0.09 0.00 0.49 3.07 -1.88 0.53 114.58 117.85 3fhq h GLU 283 Ca 0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3fhq h GLU 283 Cb 0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3fhq h GLU 283 CO -0.20 0.06 0.00 0.78 -1.40 0.00 0.00 179.01 178.25 3fhq h GLY 284 N 0.09 0.00 0.00 -3.84 0.00 -1.01 -2.94 103.07 95.37 3fhq h GLY 284 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 3fhq h GLY 284 CO -0.01 0.00 -1.25 -0.10 0.00 0.00 0.00 176.54 175.18 3fhq n LEU 285 N -2.33 2.71 -3.92 3.11 7.94 -0.12 -1.36 117.00 123.03 3fhq n LEU 285 Ca 0.01 -0.01 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3fhq n LEU 285 Cb 0.19 -0.15 -0.12 0.00 0.53 0.00 0.00 43.42 43.88 3fhq n LEU 285 CO 0.18 0.52 0.00 -0.36 -1.11 0.00 0.00 177.39 176.63 3fhq s PHE 286 N -2.09 3.61 0.55 1.96 0.40 0.17 -1.37 117.98 121.21 3fhq s PHE 286 Ca -0.06 -3.32 -0.18 0.00 -0.60 0.00 0.00 56.93 52.77 3fhq s PHE 286 Cb 0.02 -2.76 -0.06 0.00 0.51 0.00 0.00 43.02 40.73 3fhq s PHE 286 CO 0.10 -0.56 1.05 -1.25 0.70 0.00 0.00 175.22 175.26 3fhq s PRO 287 N -1.46 3.52 0.00 0.24 0.04 -1.11 -4.41 135.00 131.82 3fhq s PRO 287 Ca 0.25 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3fhq s PRO 287 Cb -0.05 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3fhq s PRO 287 CO -0.16 -0.65 0.00 0.39 0.04 0.00 0.00 177.00 176.62 3fhq n GLU 288 N -1.58 0.00 0.00 4.56 1.02 -1.26 -4.55 120.64 118.83 3fhq n GLU 288 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3fhq n GLU 288 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 3fhq n GLU 288 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fhq n GLU 290 N 0.00 0.00 -2.09 3.49 1.02 -1.26 -5.15 120.64 116.65 3fhq n GLU 290 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3fhq n GLU 290 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 3fhq n GLU 290 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3fhq s LYS 291 N 0.14 2.11 0.36 3.49 -2.85 -1.26 -5.01 119.74 116.72 3fhq s LYS 291 Ca 0.00 -0.12 -0.28 0.00 -1.00 0.00 0.00 55.97 54.57 3fhq s LYS 291 Cb 0.00 -2.09 -0.11 0.00 -2.06 0.00 0.00 37.83 33.57 3fhq s LYS 291 CO 0.00 -1.37 1.46 0.00 0.10 0.00 0.00 175.35 175.54 3fhq n ALA 292 N -3.07 2.16 -0.10 0.59 0.00 -1.26 -4.48 120.51 114.35 3fhq n ALA 292 Ca 0.08 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 3fhq n ALA 292 Cb 0.61 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 3fhq n ALA 292 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fhq h HIS 293 N 3.06 1.09 -1.71 0.00 -0.00 -1.55 -3.48 115.15 112.55 3fhq h HIS 293 Ca -0.49 -0.35 0.00 0.00 -0.00 0.00 0.00 60.37 59.53 3fhq h HIS 293 Cb 1.25 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3fhq h HIS 293 CO 0.53 1.17 0.00 0.25 -0.00 0.00 0.00 177.93 179.88 3fhq n THR 294 N -4.07 0.00 -2.46 2.45 -2.24 -1.26 -4.40 114.28 102.31 3fhq n THR 294 Ca -0.03 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 3fhq n THR 294 Cb 0.57 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.92 3fhq n THR 294 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fhq s SER 295 N -0.36 4.12 -0.05 3.42 0.01 0.52 -4.70 113.70 116.65 3fhq s SER 295 Ca 0.00 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.07 3fhq s SER 295 Cb 0.00 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3fhq s SER 295 CO 0.00 -2.02 -0.16 -0.22 0.41 0.00 0.00 173.24 171.25 3fhq s LEU 296 N -5.29 2.65 -0.19 2.44 2.96 0.69 -0.71 118.68 121.24 3fhq s LEU 296 Ca 0.68 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3fhq s LEU 296 Cb -0.05 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.14 3fhq s LEU 296 CO 0.46 0.33 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.85 3fhq s GLY 297 N -0.66 1.32 -0.35 7.98 0.00 0.55 -1.38 107.32 114.78 3fhq s GLY 297 Ca 0.10 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 3fhq s GLY 297 CO 0.01 0.54 0.23 1.08 0.00 0.00 0.00 173.10 174.96 3fhq s LEU 298 N 1.35 4.59 -0.25 0.66 1.43 -0.02 0.61 118.68 127.04 3fhq s LEU 298 Ca 0.01 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 3fhq s LEU 298 Cb -0.15 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3fhq s LEU 298 CO -0.10 -0.29 0.49 -0.47 0.23 0.00 0.00 176.35 176.21 3fhq s TYR 299 N 1.67 3.28 -0.68 0.29 5.04 -0.33 -1.12 117.35 125.50 3fhq s TYR 299 Ca 0.05 0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 55.26 3fhq s TYR 299 Cb -0.18 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 39.45 3fhq s TYR 299 CO 0.09 -0.25 0.59 0.54 -1.34 0.00 0.00 175.55 175.18 3fhq n ARG 300 N 5.40 -3.93 0.08 4.97 5.12 0.12 -2.34 116.66 126.08 3fhq n ARG 300 Ca -0.05 0.44 0.07 0.00 -1.93 0.00 0.00 57.85 56.38 3fhq n ARG 300 Cb 0.50 -4.28 0.34 0.00 -1.16 0.00 0.00 32.46 27.86 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 -2.79 0.08 0.00 5.56 -0.02 -1.26 -1.25 135.00 135.33 3fhq n PRO 301 Ca -0.05 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 3fhq n PRO 301 Cb 0.55 -1.74 0.39 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.91 0.00 -0.32 2.55 5.75 -1.26 -2.37 116.55 118.99 3fhq n ASP 302 Ca 0.00 -0.50 0.27 0.00 -0.01 0.00 0.00 54.79 54.55 3fhq n ASP 302 Cb 0.06 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 40.67 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 0.75 -0.66 2.11 7.01 -1.43 0.63 115.95 124.36 3fhq h TRP 303 Ca 0.00 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.08 3fhq h TRP 303 Cb 0.00 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 3fhq h TRP 303 CO 0.00 -0.38 0.43 0.00 -2.79 0.00 0.00 178.44 175.70 3fhq h ALA 304 N 1.95 1.66 0.06 2.65 0.00 -1.75 -0.35 119.26 123.48 3fhq h ALA 304 Ca 0.78 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.56 3fhq h ALA 304 Cb 1.95 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3fhq h ALA 304 CO -0.74 0.26 -0.50 0.35 0.00 0.00 0.00 179.25 178.62 3fhq h PHE 305 N 0.76 0.23 0.00 0.00 3.57 -1.21 -3.34 116.94 116.94 3fhq h PHE 305 Ca 0.27 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3fhq h PHE 305 Cb 0.11 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3fhq h PHE 305 CO -0.00 1.19 0.00 1.96 -2.23 0.00 0.00 178.31 179.23 3fhq h GLN 306 N -0.72 0.00 -0.24 1.11 4.20 -0.79 -2.60 115.11 116.08 3fhq h GLN 306 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3fhq h GLN 306 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3fhq h GLN 306 CO 0.04 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.07 3fhq n SER 307 N -3.00 2.77 -4.64 1.46 3.41 -0.16 -4.93 113.62 108.52 3fhq n SER 307 Ca 0.04 -1.89 -0.23 0.00 -0.26 0.00 0.00 58.87 56.53 3fhq n SER 307 Cb 0.49 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.64 4.50 -0.05 4.04 0.01 -0.98 -5.04 113.70 114.55 3fhq s SER 308 Ca 0.35 -0.67 0.12 0.00 1.31 0.00 0.00 55.95 57.06 3fhq s SER 308 Cb 0.21 -0.82 -0.17 0.00 0.21 0.00 0.00 66.02 65.45 3fhq s SER 308 CO 0.30 -0.01 0.19 -0.62 0.41 0.00 0.00 173.24 173.52 3fhq n GLU 309 N -0.89 0.96 -4.28 12.44 -0.58 -1.26 -4.96 120.64 122.06 3fhq n GLU 309 Ca -0.06 -0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.41 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 -2.66 1.12 0.36 2.62 -4.23 -1.26 -5.03 115.64 106.56 3fhq s THR 310 Ca -0.05 -1.13 0.14 0.00 -1.18 0.00 0.00 61.69 59.47 3fhq s THR 310 Cb 0.06 -1.04 0.35 0.00 1.34 0.00 0.00 72.50 73.22 3fhq s THR 310 CO 0.49 -0.09 1.76 -0.03 -0.54 0.00 0.00 174.62 176.22 3fhq h MET 311 N 4.67 0.49 -0.24 3.99 4.05 -1.95 0.24 114.93 126.17 3fhq h MET 311 Ca -0.39 -0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 58.81 3fhq h MET 311 Cb 1.18 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 3fhq h MET 311 CO 0.42 0.32 -0.59 0.93 0.23 0.00 0.00 176.91 178.23 3fhq h GLU 312 N 0.50 0.78 -0.26 0.39 5.08 -1.98 0.58 114.58 119.67 3fhq h GLU 312 Ca 0.60 -0.52 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3fhq h GLU 312 Cb 1.32 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 3fhq h GLU 312 CO -0.36 1.15 -0.48 0.00 -1.00 0.00 0.00 179.01 178.32 3fhq h ALA 313 N 0.74 0.67 -0.08 3.43 0.00 -1.68 -1.47 119.26 120.87 3fhq h ALA 313 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fhq h ALA 313 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3fhq h ALA 313 CO 0.12 0.67 0.05 0.35 0.00 0.00 0.00 179.25 180.45 3fhq h PHE 314 N 0.55 0.11 -0.23 0.00 3.57 -0.84 -1.11 116.94 118.98 3fhq h PHE 314 Ca 0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3fhq h PHE 314 Cb 1.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3fhq h PHE 314 CO 0.05 0.12 -0.09 1.88 -2.23 0.00 0.00 178.31 178.04 3fhq h TYR 315 N 0.07 0.39 -0.21 0.41 -1.99 -0.84 -2.20 116.97 112.59 3fhq h TYR 315 Ca 0.03 -0.05 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 3fhq h TYR 315 Cb 0.04 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3fhq h TYR 315 CO -0.06 0.46 -0.45 1.49 -0.00 0.00 0.00 178.16 179.61 3fhq h GLU 316 N 0.35 0.67 -0.10 4.88 4.81 -1.08 -2.65 114.58 121.47 3fhq h GLU 316 Ca 0.07 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3fhq h GLU 316 Cb 0.39 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3fhq h GLU 316 CO 0.02 1.06 -0.09 0.87 -0.73 0.00 0.00 179.01 180.14 3fhq h LYS 317 N 0.37 0.15 -0.24 1.92 1.57 -1.08 -0.92 116.57 118.33 3fhq h LYS 317 Ca 0.00 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3fhq h LYS 317 Cb 1.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3fhq h LYS 317 CO 0.10 0.25 -0.58 0.93 -0.57 0.00 0.00 179.45 179.59 3fhq h GLU 318 N 0.14 0.75 -0.07 3.15 5.08 -1.31 -1.67 114.58 120.65 3fhq h GLU 318 Ca 0.03 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 3fhq h GLU 318 Cb 0.26 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fhq h GLU 318 CO 0.01 1.11 0.02 1.25 -1.00 0.00 0.00 179.01 180.41 3fhq h LEU 319 N 0.57 0.11 -1.94 1.33 6.46 -1.10 0.86 115.31 121.61 3fhq h LEU 319 Ca 0.00 -0.24 0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3fhq h LEU 319 Cb 1.16 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 3fhq h LEU 319 CO 0.12 0.32 0.13 1.56 -0.62 0.00 0.00 178.44 179.95 3fhq h GLN 320 N -0.10 0.07 0.00 1.25 4.20 -1.14 0.61 115.11 120.01 3fhq h GLN 320 Ca 0.02 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 3fhq h GLN 320 Cb 0.25 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3fhq h GLN 320 CO 0.00 0.05 -0.52 0.35 -0.67 0.00 0.00 178.83 178.04 3fhq h PHE 321 N 0.08 0.00 0.00 2.96 3.04 -1.01 -2.64 116.94 119.37 3fhq h PHE 321 Ca 0.09 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.90 3fhq h PHE 321 Cb 0.25 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 3fhq h PHE 321 CO -0.00 1.11 -0.95 -1.49 -2.02 0.00 0.00 178.31 174.96 3fhq h TRP 322 N -1.00 0.00 0.00 0.41 4.06 -0.80 -3.25 115.95 115.37 3fhq h TRP 322 Ca -0.14 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.64 3fhq h TRP 322 Cb 1.05 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.18 3fhq h TRP 322 CO 0.18 0.57 -1.63 0.28 -3.56 0.00 0.00 178.44 174.28 3fhq n VAL 323 N -3.08 0.63 0.00 1.49 0.31 0.16 -1.68 118.33 116.16 3fhq n VAL 323 Ca -0.03 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3fhq n VAL 323 Cb 0.80 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 2.67 1.10 0.25 2.92 0.00 -0.94 -4.57 105.19 106.63 3fhq n GLY 324 Ca -0.17 -2.19 0.17 0.00 0.00 0.00 0.00 46.02 43.83 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 0.06 1.61 0.02 -1.77 -2.70 113.55 110.76 3fhq h SER 325 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 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 -0.24 0.74 -1.14 0.00 0.00 176.83 176.19 3fhq h THR 326 N 0.00 1.24 -0.18 -2.27 2.02 -1.85 -3.46 112.91 108.41 3fhq h THR 326 Ca 0.00 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 3fhq h THR 326 Cb 0.36 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3fhq h THR 326 CO 0.00 0.35 -0.07 0.61 0.37 0.00 0.00 175.52 176.78 3fhq n GLY 327 N -0.53 0.61 2.58 2.16 0.00 -1.02 -4.99 105.19 104.01 3fhq n GLY 327 Ca -0.01 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.37 2.79 0.62 1.61 3.84 -1.26 -0.57 114.94 119.61 3fhq s ASN 328 Ca 0.00 -0.87 0.30 0.00 0.21 0.00 0.00 52.86 52.51 3fhq s ASN 328 Cb 0.00 -0.28 1.64 0.00 -0.55 0.00 0.00 41.25 42.07 3fhq s ASN 328 CO 0.00 -0.38 1.99 1.55 -2.79 0.00 0.00 177.10 177.46 3fhq h PRO 329 N 8.42 0.00 0.00 0.43 0.13 -1.79 -0.63 132.00 138.56 3fhq h PRO 329 Ca -0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 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 0.35 0.00 -1.32 0.00 -0.23 0.00 0.00 178.00 176.80 3fhq n ALA 330 N -2.15 2.24 -3.53 -0.56 0.00 -1.26 -4.46 120.51 110.79 3fhq n ALA 330 Ca 0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 3fhq n ALA 330 Cb 0.43 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 3fhq n ALA 330 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fhq n GLU 331 N -2.74 2.57 -3.71 0.00 -0.58 -0.24 -4.63 120.64 111.30 3fhq n GLU 331 Ca -0.06 -4.60 -0.33 0.00 -0.42 0.00 0.00 57.16 51.75 3fhq n GLU 331 Cb 0.70 -2.31 -0.05 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.13 5.22 -0.67 2.62 -4.23 -1.25 -4.71 115.64 110.49 3fhq s THR 332 Ca 0.34 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 3fhq s THR 332 Cb 0.06 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.45 3fhq s THR 332 CO -0.05 0.21 0.65 -0.62 -0.54 0.00 0.00 174.62 174.27 3fhq s ASP 333 N -2.06 6.41 0.00 3.99 2.15 -1.26 -4.90 116.67 121.00 3fhq s ASP 333 Ca 0.34 -2.08 0.11 0.00 0.43 0.00 0.00 52.55 51.35 3fhq s ASP 333 Cb -0.13 -2.23 0.57 0.00 -0.30 0.00 0.00 42.92 40.83 3fhq s ASP 333 CO 0.21 -0.80 1.22 0.61 -0.17 0.00 0.00 175.17 176.24 3fhq n GLY 334 N 4.81 -0.60 0.01 2.66 0.00 -1.26 -1.54 105.19 109.27 3fhq n GLY 334 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.24 0.18 -1.89 1.61 6.02 -1.26 -4.92 117.38 115.88 3fhq n GLN 335 Ca 0.06 -0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.64 3fhq n GLN 335 Cb 0.08 -1.52 0.05 0.00 1.02 0.00 0.00 30.24 29.87 3fhq n GLN 335 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3fhq s SER 336 N -3.45 4.93 0.35 1.08 0.15 -0.59 -4.91 113.70 111.25 3fhq s SER 336 Ca 0.04 2.50 0.07 0.00 0.70 0.00 0.00 55.95 59.27 3fhq s SER 336 Cb 0.15 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.61 3fhq s SER 336 CO 0.85 -1.78 1.89 0.78 1.20 0.00 0.00 173.24 176.18 3fhq h ASN 337 N 0.75 0.70 -3.57 5.45 2.35 -1.92 -3.31 115.58 116.02 3fhq h ASN 337 Ca -0.51 0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 54.66 3fhq h ASN 337 Cb 1.32 -0.11 -0.40 0.00 0.05 0.00 0.00 38.32 39.17 3fhq h ASN 337 CO 0.54 0.38 -0.72 0.86 -1.65 0.00 0.00 177.43 176.85 3fhq s TRP 338 N -5.72 2.27 0.37 1.19 -0.11 -1.26 -4.80 118.94 110.88 3fhq s TRP 338 Ca -0.10 -2.62 0.30 0.00 1.22 0.00 0.00 56.10 54.90 3fhq s TRP 338 Cb 0.21 -2.07 1.50 0.00 -1.50 0.00 0.00 33.47 31.62 3fhq s TRP 338 CO 0.79 -0.76 2.07 -1.35 -4.62 0.00 0.00 176.95 173.08 3fhq h PRO 339 N 6.54 0.00 0.00 5.86 0.11 -1.76 -3.40 132.00 139.36 3fhq h PRO 339 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fhq h PRO 339 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3fhq h PRO 339 CO 0.53 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 3fhq n GLY 340 N -0.56 0.43 0.21 -0.55 0.00 -1.26 -4.33 105.19 99.13 3fhq n GLY 340 Ca -0.01 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 0.07 0.00 1.61 2.86 -1.37 -1.98 114.93 116.13 3fhq h MET 341 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3fhq h MET 341 Cb 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3fhq h MET 341 CO 0.00 0.35 -0.01 0.00 1.06 0.00 0.00 176.91 178.31 3fhq h ALA 342 N 1.65 1.05 -0.16 6.32 0.00 -1.54 0.14 119.26 126.72 3fhq h ALA 342 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fhq h ALA 342 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fhq h ALA 342 CO 0.04 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 3fhq h HIS 343 N 0.00 0.23 0.00 0.00 6.17 -1.55 -3.33 115.15 116.68 3fhq h HIS 343 Ca -0.00 -0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.01 3fhq h HIS 343 Cb 0.18 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 3fhq h HIS 343 CO 0.00 0.29 -1.38 0.91 0.71 0.00 0.00 177.93 178.46 3fhq n TRP 344 N -4.35 0.00 -5.00 5.26 8.01 -0.13 -3.19 117.44 118.04 3fhq n TRP 344 Ca -0.01 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.87 3fhq n TRP 344 Cb 0.20 -0.24 -0.17 0.00 -2.01 0.00 0.00 31.31 29.10 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 -2.33 2.52 0.44 -5.99 0.08 0.29 -2.01 117.98 110.98 3fhq s PHE 345 Ca -0.03 -1.11 -0.26 0.00 0.12 0.00 0.00 56.93 55.65 3fhq s PHE 345 Cb 0.03 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3fhq s PHE 345 CO 0.28 -0.47 1.43 -2.14 -0.10 0.00 0.00 175.22 174.22 3fhq s PRO 346 N 0.52 3.76 0.18 0.24 0.02 -1.26 -4.46 135.00 134.00 3fhq s PRO 346 Ca -0.15 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 3fhq s PRO 346 Cb -0.17 -2.70 -0.07 0.00 0.02 0.00 0.00 34.50 31.57 3fhq s PRO 346 CO 0.05 -0.76 1.02 0.00 -0.33 0.00 0.00 177.00 176.98 3fhq s ALA 347 N -1.19 3.33 0.19 -1.55 0.00 -1.26 -4.73 121.76 116.55 3fhq s ALA 347 Ca 0.60 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.31 3fhq s ALA 347 Cb -0.44 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3fhq s ALA 347 CO 0.57 -0.06 0.17 0.15 0.00 0.00 0.00 175.76 176.59 3fhq s LYS 348 N -0.50 2.97 0.04 0.00 -0.14 -0.02 -0.80 119.74 121.29 3fhq s LYS 348 Ca 0.46 -0.89 0.03 0.00 -1.36 0.00 0.00 55.97 54.21 3fhq s LYS 348 Cb -0.27 -2.66 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3fhq s LYS 348 CO 0.33 0.46 -0.09 0.45 -0.76 0.00 0.00 175.35 175.75 3fhq s SER 349 N -3.36 0.96 -0.07 2.83 0.15 0.66 -4.55 113.70 110.33 3fhq s SER 349 Ca 0.32 -0.50 0.13 0.00 0.70 0.00 0.00 55.95 56.60 3fhq s SER 349 Cb -0.09 0.01 0.37 0.00 -1.71 0.00 0.00 66.02 64.60 3fhq s SER 349 CO 0.24 -0.14 1.30 1.07 1.20 0.00 0.00 173.24 176.91 3fhq n THR 350 N 1.65 1.52 -1.32 6.45 5.66 -1.26 -0.38 114.28 126.59 3fhq n THR 350 Ca -0.21 -1.38 -0.38 0.00 -3.05 0.00 0.00 64.05 59.03 3fhq n THR 350 Cb 0.55 0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.01 6.84 -0.05 1.79 0.00 -1.26 -4.42 120.51 123.41 3fhq n ALA 351 Ca 0.15 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.16 3fhq n ALA 351 Cb 0.60 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 3.97 0.85 -3.77 0.00 -2.24 -1.26 -1.24 114.28 110.57 3fhq n THR 352 Ca 0.70 -0.90 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 3fhq n THR 352 Cb 0.25 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.85 -0.27 -0.12 3.42 0.15 -1.25 -4.69 113.70 110.09 3fhq s SER 353 Ca 0.00 0.46 -0.10 0.00 0.70 0.00 0.00 55.95 57.01 3fhq s SER 353 Cb 0.00 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 3fhq s SER 353 CO 0.00 -0.19 0.20 -0.69 1.20 0.00 0.00 173.24 173.76 3fhq s VAL 354 N -0.24 5.38 0.32 4.45 1.01 -1.26 -3.11 120.40 126.95 3fhq s VAL 354 Ca -0.04 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.03 3fhq s VAL 354 Cb -0.03 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3fhq s VAL 354 CO 0.01 0.55 1.02 -2.16 0.00 0.00 0.00 175.10 174.52 3fhq s PRO 355 N -0.62 4.53 -0.22 2.72 0.05 -1.26 -5.10 135.00 135.10 3fhq s PRO 355 Ca 0.16 1.55 -0.07 0.00 0.05 0.00 0.00 61.00 62.68 3fhq s PRO 355 Cb -0.13 -2.92 -0.03 0.00 0.05 0.00 0.00 34.50 31.47 3fhq s PRO 355 CO 0.05 0.18 0.07 0.12 0.05 0.00 0.00 177.00 177.46 3fhq s PHE 356 N -1.42 3.13 -0.02 0.56 5.36 0.14 -4.99 117.98 120.75 3fhq s PHE 356 Ca 0.49 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 3fhq s PHE 356 Cb -0.25 -2.18 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3fhq s PHE 356 CO 0.31 -0.17 -0.06 0.08 -1.46 0.00 0.00 175.22 173.92 3fhq s VAL 357 N 1.15 0.59 -0.07 3.12 1.01 -1.26 -0.73 120.40 124.20 3fhq s VAL 357 Ca 0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3fhq s VAL 357 Cb -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3fhq s VAL 357 CO 0.03 0.19 0.22 0.28 0.00 0.00 0.00 175.10 175.83 3fhq s THR 358 N 0.26 0.01 -0.34 3.92 -1.32 -0.45 -4.77 115.64 112.95 3fhq s THR 358 Ca -0.03 -0.11 0.05 0.00 -1.21 0.00 0.00 61.69 60.39 3fhq s THR 358 Cb -0.08 -0.35 0.14 0.00 -1.51 0.00 0.00 72.50 70.70 3fhq s THR 358 CO 0.00 -0.06 1.11 1.41 -2.21 0.00 0.00 174.62 174.87 3fhq n HIS 359 N 2.67 0.19 -3.64 9.09 8.25 -1.26 -1.10 115.22 129.42 3fhq n HIS 359 Ca -0.14 -0.54 -0.26 0.00 -0.26 0.00 0.00 57.72 56.52 3fhq n HIS 359 Cb 0.58 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.19 -2.48 -2.52 4.41 3.72 -1.26 -4.58 117.46 114.56 3fhq n PHE 360 Ca 0.06 0.88 -0.43 0.00 -0.05 0.00 0.00 57.45 57.91 3fhq n PHE 360 Cb 0.35 -4.43 -0.02 0.00 -0.94 0.00 0.00 39.48 34.44 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 -3.20 6.95 0.00 4.37 3.84 -1.26 -4.24 114.94 121.41 3fhq s ASN 361 Ca 0.58 1.46 0.29 0.00 0.21 0.00 0.00 52.86 55.39 3fhq s ASN 361 Cb -0.27 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.10 3fhq s ASN 361 CO 0.71 -0.79 1.86 0.35 -2.79 0.00 0.00 177.10 176.44 3fhq n THR 362 N 5.53 0.00 0.00 -5.21 -2.24 -1.26 -0.96 114.28 110.14 3fhq n THR 362 Ca 0.13 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3fhq n THR 362 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.34 2.83 3.38 3.38 0.00 -1.26 -4.80 105.19 110.06 3fhq n GLY 363 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.42 0.26 0.05 1.61 1.04 -1.26 0.02 113.70 114.00 3fhq s SER 364 Ca 0.00 -1.27 -0.27 0.00 0.48 0.00 0.00 55.95 54.89 3fhq s SER 364 Cb 0.00 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.71 3fhq s SER 364 CO 0.00 -1.02 0.88 -0.83 0.98 0.00 0.00 173.24 173.26 3fhq s GLY 365 N -3.13 -0.42 0.00 7.32 0.00 0.21 -4.60 107.32 106.70 3fhq s GLY 365 Ca 0.32 0.75 0.26 0.00 0.00 0.00 0.00 44.72 46.05 3fhq s GLY 365 CO 0.13 0.24 1.61 0.00 0.00 0.00 0.00 173.10 175.08 3fhq n ALA 366 N -0.31 2.54 -3.57 3.20 0.00 -1.26 -1.29 120.51 119.81 3fhq n ALA 366 Ca -0.09 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 3fhq n ALA 366 Cb 0.62 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.93 0.70 -0.07 0.00 -0.44 -1.23 -3.85 119.66 112.85 3fhq s GLN 367 Ca 0.35 -0.30 0.01 0.00 -2.50 0.00 0.00 55.36 52.92 3fhq s GLN 367 Cb 0.20 0.30 0.02 0.00 -1.64 0.00 0.00 33.01 31.89 3fhq s GLN 367 CO 0.31 -0.31 -0.07 0.12 0.50 0.00 0.00 175.29 175.84 3fhq s PHE 368 N -2.90 1.14 0.08 1.67 2.19 -0.44 -4.22 117.98 115.49 3fhq s PHE 368 Ca 0.08 -0.44 0.03 0.00 0.33 0.00 0.00 56.93 56.93 3fhq s PHE 368 Cb -0.01 -0.96 -0.04 0.00 -1.31 0.00 0.00 43.02 40.71 3fhq s PHE 368 CO -0.06 -0.33 0.06 -1.12 1.83 0.00 0.00 175.22 175.61 3fhq s SER 369 N 1.23 5.43 -0.08 6.13 0.01 0.17 -0.11 113.70 126.48 3fhq s SER 369 Ca -0.05 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.18 3fhq s SER 369 Cb -0.14 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.68 3fhq s SER 369 CO -0.02 0.18 -0.09 0.00 0.41 0.00 0.00 173.24 173.72 3fhq s ALA 370 N -1.36 1.18 -1.59 1.44 0.00 -0.03 -1.11 121.76 120.29 3fhq s ALA 370 Ca 0.28 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 3fhq s ALA 370 Cb -0.12 -0.68 0.13 0.00 0.00 0.00 0.00 23.12 22.46 3fhq s ALA 370 CO 0.21 -0.12 0.76 0.39 0.00 0.00 0.00 175.76 177.00 3fhq n GLU 371 N 4.30 -3.54 -0.60 0.00 1.02 -0.41 -1.20 120.64 120.21 3fhq n GLU 371 Ca -0.19 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3fhq n GLU 371 Cb 0.51 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 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 -1.38 1.39 3.62 0.62 0.00 -0.41 -4.51 105.19 104.52 3fhq n GLY 372 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 3.50 0.13 1.61 1.02 -0.34 -4.91 119.74 120.59 3fhq s LYS 373 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 3fhq s LYS 373 Cb 0.00 -2.97 -0.10 0.00 -0.52 0.00 0.00 37.83 34.24 3fhq s LYS 373 CO 0.00 0.45 1.71 0.99 -0.92 0.00 0.00 175.35 177.57 3fhq s THR 374 N -0.16 2.64 -0.06 2.17 2.01 -1.26 -0.85 115.64 120.12 3fhq s THR 374 Ca 0.05 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3fhq s THR 374 Cb -0.12 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.22 3fhq s THR 374 CO 0.02 0.01 0.60 1.33 -0.69 0.00 0.00 174.62 175.88 3fhq n VAL 375 N 4.48 0.16 -3.63 3.82 0.24 0.85 -4.90 118.33 119.34 3fhq n VAL 375 Ca 0.16 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.34 61.77 3fhq n VAL 375 Cb 0.39 0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.20 -0.78 0.00 -1.34 0.15 -1.12 -0.02 113.70 110.38 3fhq s SER 376 Ca 0.01 1.40 0.22 0.00 0.70 0.00 0.00 55.95 58.28 3fhq s SER 376 Cb 0.00 1.38 0.63 0.00 -1.71 0.00 0.00 66.02 66.33 3fhq s SER 376 CO 0.01 -0.23 1.50 -0.62 1.20 0.00 0.00 173.24 175.09 3fhq n GLU 377 N 3.26 1.99 -3.09 5.44 -0.58 -1.26 -1.33 120.64 125.07 3fhq n GLU 377 Ca -0.16 -1.49 -0.36 0.00 -0.42 0.00 0.00 57.16 54.73 3fhq n GLU 377 Cb 0.57 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.74 4.25 0.65 3.49 -1.52 -1.26 -4.54 119.66 118.99 3fhq s GLN 378 Ca 0.34 0.88 -0.18 0.00 -1.95 0.00 0.00 55.36 54.46 3fhq s GLN 378 Cb 0.19 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 30.11 3fhq s GLN 378 CO 0.29 0.38 1.09 0.39 -0.25 0.00 0.00 175.29 177.19 3fhq n GLU 379 N 0.66 0.89 -3.59 2.91 1.02 -1.25 -3.47 120.64 117.81 3fhq n GLU 379 Ca -0.02 0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 57.31 3fhq n GLU 379 Cb 0.51 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.54 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 -1.52 -0.57 0.04 -0.32 1.48 -0.41 -4.01 118.94 113.63 3fhq s TRP 380 Ca 0.79 1.03 0.04 0.00 -1.06 0.00 0.00 56.10 56.90 3fhq s TRP 380 Cb -0.39 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 3fhq s TRP 380 CO 0.45 -0.53 -0.13 0.54 -4.06 0.00 0.00 176.95 173.22 3fhq s ASN 381 N -1.00 1.51 -0.39 -2.66 2.20 0.49 -0.62 114.94 114.47 3fhq s ASN 381 Ca -0.10 -0.47 0.02 0.00 -0.94 0.00 0.00 52.86 51.37 3fhq s ASN 381 Cb -0.02 -0.08 0.18 0.00 -2.00 0.00 0.00 41.25 39.34 3fhq s ASN 381 CO 0.08 -0.01 0.78 0.21 -2.94 0.00 0.00 177.10 175.21 3fhq s ASN 382 N -1.24 -1.12 0.00 3.54 3.84 0.10 -2.18 114.94 117.89 3fhq s ASN 382 Ca -0.00 -0.61 0.07 0.00 0.21 0.00 0.00 52.86 52.52 3fhq s ASN 382 Cb -0.08 1.43 0.32 0.00 -0.55 0.00 0.00 41.25 42.36 3fhq s ASN 382 CO 0.01 -0.12 1.13 0.54 -2.79 0.00 0.00 177.10 175.88 3fhq n ARG 383 N 4.08 0.05 0.26 0.43 1.74 -1.24 -0.78 116.66 121.20 3fhq n ARG 383 Ca 0.10 0.30 0.18 0.00 -0.77 0.00 0.00 57.85 57.65 3fhq n ARG 383 Cb 0.59 -1.50 0.86 0.00 -1.02 0.00 0.00 32.46 31.39 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 -2.57 113.55 109.66 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 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3fhq h SER 384 CO 0.00 0.00 -0.05 0.18 -1.14 0.00 0.00 176.83 175.82 3fhq n LEU 385 N -2.82 2.50 -4.68 5.07 4.77 0.04 -4.86 117.00 117.01 3fhq n LEU 385 Ca -0.01 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 3fhq n LEU 385 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3fhq n LEU 385 CO 0.20 0.44 1.42 -1.58 -1.33 0.00 0.00 177.39 176.54 3fhq s GLN 386 N -1.66 4.17 0.79 3.23 0.74 -0.97 -4.64 119.66 121.33 3fhq s GLN 386 Ca 0.21 2.42 -0.12 0.00 0.05 0.00 0.00 55.36 57.93 3fhq s GLN 386 Cb 0.16 -3.76 0.06 0.00 1.10 0.00 0.00 33.01 30.57 3fhq s GLN 386 CO 0.27 -0.82 1.11 -0.51 -0.55 0.00 0.00 175.29 174.79 3fhq s ASP 387 N 3.00 4.63 -0.16 6.67 1.01 -0.13 -4.91 116.67 126.78 3fhq s ASP 387 Ca 0.78 1.17 -0.29 0.00 0.71 0.00 0.00 52.55 54.92 3fhq s ASP 387 Cb -0.41 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 3fhq s ASP 387 CO 0.34 -1.86 1.58 -0.69 0.21 0.00 0.00 175.17 174.75 3fhq s VAL 388 N -3.27 3.73 0.37 -1.27 1.01 -1.26 -4.87 120.40 114.86 3fhq s VAL 388 Ca 0.61 0.86 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3fhq s VAL 388 Cb -0.13 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 3fhq s VAL 388 CO 0.53 -0.20 0.53 -0.76 0.00 0.00 0.00 175.10 175.20 3fhq s LEU 389 N 4.65 3.85 -0.06 3.92 1.43 -1.26 -4.86 118.68 126.35 3fhq s LEU 389 Ca 0.70 -0.12 -0.38 0.00 -1.03 0.00 0.00 54.13 53.31 3fhq s LEU 389 Cb -0.27 -2.82 -0.16 0.00 0.03 0.00 0.00 46.19 42.97 3fhq s LEU 389 CO 0.27 -0.55 1.57 -2.65 0.23 0.00 0.00 176.35 175.22 3fhq n PRO 390 N -1.77 1.34 -0.32 1.29 -0.02 -1.26 -4.85 135.00 129.40 3fhq n PRO 390 Ca 0.01 0.49 0.21 0.00 -2.02 0.00 0.00 63.50 62.19 3fhq n PRO 390 Cb 0.58 -2.18 0.41 0.00 -0.02 0.00 0.00 33.50 32.29 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 4.28 0.20 -3.39 3.45 2.02 -1.54 -3.41 112.91 114.51 3fhq h THR 391 Ca -0.47 -0.06 -0.66 0.00 0.77 0.00 0.00 66.41 66.00 3fhq h THR 391 Cb 1.32 0.01 -0.25 0.00 -1.74 0.00 0.00 68.15 67.49 3fhq h THR 391 CO 0.87 0.03 -0.74 0.26 0.37 0.00 0.00 175.52 176.32 3fhq s TRP 392 N -5.77 2.87 -0.38 3.16 0.51 -1.06 -4.95 118.94 113.32 3fhq s TRP 392 Ca -0.11 -0.47 0.01 0.00 -2.12 0.00 0.00 56.10 53.40 3fhq s TRP 392 Cb 0.29 -1.85 0.14 0.00 -0.81 0.00 0.00 33.47 31.24 3fhq s TRP 392 CO 0.78 -0.10 0.21 1.03 -0.51 0.00 0.00 176.95 178.36 3fhq s ARG 393 N 0.20 0.79 0.03 4.98 1.81 -1.26 -4.38 118.95 121.11 3fhq s ARG 393 Ca -0.06 -1.52 0.01 0.00 -1.72 0.00 0.00 55.73 52.44 3fhq s ARG 393 Cb -0.15 -1.67 -0.02 0.00 -0.45 0.00 0.00 34.95 32.66 3fhq s ARG 393 CO 0.04 -1.18 -0.06 -1.58 -0.68 0.00 0.00 175.30 171.84 3fhq s TRP 394 N 0.89 0.52 -0.32 -0.53 0.52 0.27 -4.27 118.94 116.01 3fhq s TRP 394 Ca 0.17 -0.51 0.02 0.00 0.02 0.00 0.00 56.10 55.80 3fhq s TRP 394 Cb -0.23 -0.32 0.08 0.00 -1.15 0.00 0.00 33.47 31.85 3fhq s TRP 394 CO -0.01 -0.12 0.02 0.42 0.02 0.00 0.00 176.95 177.27 3fhq s ILE 395 N -1.41 2.50 0.29 2.03 1.01 -1.26 -4.31 121.20 120.05 3fhq s ILE 395 Ca -0.12 -1.95 0.11 0.00 0.00 0.00 0.00 60.65 58.68 3fhq s ILE 395 Cb -0.10 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 3fhq s ILE 395 CO -0.00 -0.37 -0.16 -1.10 0.00 0.00 0.00 174.94 173.30 3fhq s GLN 396 N 1.05 1.68 -0.05 2.79 -0.21 -1.26 -1.27 119.66 122.39 3fhq s GLN 396 Ca 0.02 -1.80 0.02 0.00 0.02 0.00 0.00 55.36 53.62 3fhq s GLN 396 Cb -0.20 -1.67 0.02 0.00 1.00 0.00 0.00 33.01 32.16 3fhq s GLN 396 CO -0.06 0.26 -0.07 -1.01 -2.12 0.00 0.00 175.29 172.29 3fhq s HIS 397 N -2.60 0.97 0.20 0.91 3.76 0.07 -4.97 115.29 113.64 3fhq s HIS 397 Ca 0.30 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 3fhq s HIS 397 Cb -0.02 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.89 3fhq s HIS 397 CO 0.15 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 3fhq n GLY 398 N 3.90 -2.54 0.64 -2.22 0.00 -1.26 -1.36 105.19 102.35 3fhq n GLY 398 Ca -0.24 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.01 -1.92 2.55 -0.02 0.00 -1.26 -4.63 105.19 96.90 3fhq n GLY 399 Ca -0.02 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.89 4.00 -4.64 1.61 2.03 -0.20 -5.05 116.55 111.40 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 0.30 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 39.86 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 -2.39 3.22 0.05 -2.67 1.02 -1.26 -1.74 118.68 114.90 3fhq s LEU 401 Ca 0.37 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 54.10 3fhq s LEU 401 Cb 0.11 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 3fhq s LEU 401 CO -0.02 0.07 -0.21 -0.70 0.02 0.00 0.00 176.35 175.51 3fhq s GLU 402 N -3.13 1.41 -0.04 1.70 2.12 0.71 -4.95 118.70 116.52 3fhq s GLU 402 Ca 0.28 -0.97 0.06 0.00 0.36 0.00 0.00 54.97 54.70 3fhq s GLU 402 Cb -0.08 -1.54 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 3fhq s GLU 402 CO 0.18 0.39 -0.23 0.00 -0.54 0.00 0.00 175.26 175.06 3fhq s ALA 403 N -0.82 1.97 0.32 6.30 0.00 -1.26 -1.24 121.76 127.03 3fhq s ALA 403 Ca 0.08 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3fhq s ALA 403 Cb -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3fhq s ALA 403 CO 0.02 0.42 0.74 -0.08 0.00 0.00 0.00 175.76 176.86 3fhq s THR 404 N -0.31 0.00 0.21 0.00 -1.32 -0.60 -4.99 115.64 108.63 3fhq s THR 404 Ca 0.02 -1.01 -0.20 0.00 -1.21 0.00 0.00 61.69 59.29 3fhq s THR 404 Cb -0.11 -2.33 -0.08 0.00 -1.51 0.00 0.00 72.50 68.46 3fhq s THR 404 CO 0.01 0.00 0.71 -0.36 -2.21 0.00 0.00 174.62 172.78 3fhq s PHE 405 N -3.32 3.66 -0.04 9.09 0.08 -1.26 -0.18 117.98 126.01 3fhq s PHE 405 Ca 0.13 1.37 0.06 0.00 0.12 0.00 0.00 56.93 58.61 3fhq s PHE 405 Cb -0.06 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 3fhq s PHE 405 CO 0.09 0.35 -0.20 0.45 -0.10 0.00 0.00 175.22 175.81 3fhq s SER 406 N -1.62 3.55 -0.12 1.36 0.15 0.08 -4.80 113.70 112.30 3fhq s SER 406 Ca 0.42 -0.33 0.15 0.00 0.70 0.00 0.00 55.95 56.89 3fhq s SER 406 Cb -0.17 -0.63 0.48 0.00 -1.71 0.00 0.00 66.02 64.00 3fhq s SER 406 CO 0.21 0.33 1.40 0.79 1.20 0.00 0.00 173.24 177.16 3fhq n TRP 407 N 2.41 0.87 -0.03 3.44 8.01 -1.26 -1.14 117.44 129.74 3fhq n TRP 407 Ca -0.17 -0.73 -0.07 0.00 -1.31 0.00 0.00 57.50 55.23 3fhq n TRP 407 Cb 0.52 -0.22 -0.14 0.00 -2.01 0.00 0.00 31.31 29.46 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 -0.01 0.65 -4.52 -0.99 -0.58 -1.26 -4.60 120.64 109.32 3fhq n GLU 408 Ca 0.19 0.18 -0.22 0.00 -0.42 0.00 0.00 57.16 56.89 3fhq n GLU 408 Cb 0.75 -1.71 -0.15 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.66 1.11 -0.03 3.49 0.41 -1.26 -5.10 118.70 114.65 3fhq s GLU 409 Ca -0.06 -0.40 -0.16 0.00 -0.41 0.00 0.00 54.97 53.94 3fhq s GLU 409 Cb 0.08 -1.03 0.03 0.00 -1.78 0.00 0.00 34.13 31.43 3fhq s GLU 409 CO 0.83 0.19 0.34 0.00 -0.49 0.00 0.00 175.26 176.13 3fhq s ALA 410 N -0.01 -0.86 -0.24 5.21 0.00 -1.26 -2.17 121.76 122.42 3fhq s ALA 410 Ca -0.00 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 3fhq s ALA 410 Cb -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.89 3fhq s ALA 410 CO 0.00 -0.26 -0.26 0.34 0.00 0.00 0.00 175.76 175.59 3fhq n PHE 411 N 1.46 0.00 -3.75 0.00 -0.00 -1.26 -4.22 117.46 109.69 3fhq n PHE 411 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.00 3fhq n PHE 411 Cb 0.56 -0.90 -0.17 0.00 -0.00 0.00 0.00 39.48 38.97 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 -2.47 0.57 0.00 -4.13 0.41 -1.26 -1.29 118.70 110.54 3fhq s GLU 412 Ca -0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 3fhq s GLU 412 Cb 0.10 -1.40 0.00 0.00 -1.78 0.00 0.00 34.13 31.05 3fhq s GLU 412 CO 0.50 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 3fhq n GLY 413 N 5.13 1.04 0.00 -1.39 0.00 -0.27 -4.69 105.19 105.02 3fhq n GLY 413 Ca -0.08 -1.61 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 -0.05 3.24 -0.02 0.00 -1.26 0.42 105.19 107.52 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 -0.26 0.08 0.21 1.61 1.04 -1.26 -4.53 113.70 110.60 3fhq s SER 415 Ca 0.00 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3fhq s SER 415 Cb 0.00 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 3fhq s SER 415 CO 0.00 -0.77 0.08 -0.94 0.98 0.00 0.00 173.24 172.59 3fhq s SER 416 N -2.88 0.84 -0.27 7.02 1.04 -0.29 -4.49 113.70 114.67 3fhq s SER 416 Ca 0.07 -1.32 -0.21 0.00 0.48 0.00 0.00 55.95 54.98 3fhq s SER 416 Cb 0.04 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3fhq s SER 416 CO -0.09 -0.72 0.65 -0.22 0.98 0.00 0.00 173.24 173.83 3fhq s LEU 417 N -3.22 4.09 -0.19 2.42 2.96 -0.39 -0.74 118.68 123.62 3fhq s LEU 417 Ca 0.34 0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 54.76 3fhq s LEU 417 Cb 0.07 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 3fhq s LEU 417 CO 0.10 -0.43 0.20 -1.58 -1.32 0.00 0.00 176.35 173.32 3fhq s GLN 418 N 2.58 4.21 -0.20 1.98 0.74 0.74 -0.92 119.66 128.80 3fhq s GLN 418 Ca 0.26 -0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.56 3fhq s GLN 418 Cb -0.15 -3.43 0.06 0.00 1.10 0.00 0.00 33.01 30.59 3fhq s GLN 418 CO 0.10 0.26 0.00 -0.46 -0.55 0.00 0.00 175.29 174.64 3fhq s TRP 419 N 0.44 1.45 0.05 1.67 -0.00 -0.30 -1.56 118.94 120.69 3fhq s TRP 419 Ca 0.11 -1.09 -0.17 0.00 -0.00 0.00 0.00 56.10 54.95 3fhq s TRP 419 Cb -0.12 -1.19 0.03 0.00 -0.00 0.00 0.00 33.47 32.19 3fhq s TRP 419 CO 0.00 -0.64 0.40 -3.38 -0.00 0.00 0.00 176.95 173.33 3fhq s HIS 420 N 1.72 -0.24 -1.95 5.86 -3.43 -0.38 0.40 115.29 117.27 3fhq s HIS 420 Ca -0.02 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 3fhq s HIS 420 Cb -0.17 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3fhq s HIS 420 CO -0.07 -0.58 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 3fhq n GLY 421 N 0.45 0.40 3.66 -1.38 0.00 0.44 -0.21 105.19 108.54 3fhq n GLY 421 Ca -0.18 -1.27 -0.35 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 5.78 -0.18 1.61 0.01 -0.71 -1.12 113.70 115.08 3fhq s SER 422 Ca 0.00 0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.33 3fhq s SER 422 Cb 0.00 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.30 3fhq s SER 422 CO 0.00 0.17 0.08 -0.22 0.41 0.00 0.00 173.24 173.69 3fhq s LEU 423 N 0.39 0.49 0.49 2.44 2.96 0.17 -1.04 118.68 124.58 3fhq s LEU 423 Ca 0.04 -0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 53.04 3fhq s LEU 423 Cb -0.12 -0.30 -0.07 0.00 0.50 0.00 0.00 46.19 46.20 3fhq s LEU 423 CO -0.00 -0.35 1.21 0.00 -1.32 0.00 0.00 176.35 175.88 3fhq s ALA 424 N 2.09 2.90 0.12 5.97 0.00 -1.26 -3.71 121.76 127.87 3fhq s ALA 424 Ca 0.02 1.01 -0.35 0.00 0.00 0.00 0.00 51.96 52.65 3fhq s ALA 424 Cb -0.16 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.37 3fhq s ALA 424 CO -0.11 -0.84 1.10 -1.91 0.00 0.00 0.00 175.76 174.01 3fhq n GLU 425 N -0.71 0.78 0.00 0.00 2.13 -1.13 -1.38 120.64 120.32 3fhq n GLU 425 Ca 0.09 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3fhq n GLU 425 Cb 0.48 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 1.99 2.82 3.77 8.31 0.00 -0.40 -4.90 105.19 116.77 3fhq n GLY 426 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.04 4.21 -0.00 1.61 2.12 -0.48 -4.76 118.70 121.35 3fhq s GLU 427 Ca 0.00 1.91 0.01 0.00 0.36 0.00 0.00 54.97 57.25 3fhq s GLU 427 Cb 0.00 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 3fhq s GLU 427 CO 0.00 -0.21 0.01 -1.01 -0.54 0.00 0.00 175.26 173.51 3fhq s HIS 428 N -1.32 3.09 0.00 5.30 3.76 -1.26 -1.60 115.29 123.26 3fhq s HIS 428 Ca 0.53 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.54 3fhq s HIS 428 Cb -0.33 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 3fhq s HIS 428 CO 0.42 0.47 -0.03 0.00 -0.85 0.00 0.00 174.74 174.74 3fhq s ALA 429 N -1.08 0.25 0.10 -1.40 0.00 -0.41 -4.04 121.76 115.17 3fhq s ALA 429 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.04 3fhq s ALA 429 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3fhq s ALA 429 CO 0.10 0.04 -0.19 -0.65 0.00 0.00 0.00 175.76 175.07 3fhq s GLN 430 N -0.23 1.05 -0.12 0.00 1.11 -0.46 -0.96 119.66 120.04 3fhq s GLN 430 Ca -0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 55.36 54.23 3fhq s GLN 430 Cb -0.02 -1.21 0.03 0.00 -1.01 0.00 0.00 33.01 30.81 3fhq s GLN 430 CO -0.00 0.27 -0.04 -1.50 0.01 0.00 0.00 175.29 174.04 3fhq s ILE 431 N -1.32 0.81 -0.27 1.08 2.07 0.05 -0.75 121.20 122.87 3fhq s ILE 431 Ca 0.05 -0.28 -0.20 0.00 -1.41 0.00 0.00 60.65 58.80 3fhq s ILE 431 Cb -0.09 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 3fhq s ILE 431 CO 0.04 0.22 0.63 -1.61 -1.91 0.00 0.00 174.94 172.30 3fhq s GLU 432 N 1.78 4.06 -0.18 3.50 2.02 -0.39 -0.77 118.70 128.71 3fhq s GLU 432 Ca 0.03 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.45 3fhq s GLU 432 Cb -0.14 -3.67 -0.09 0.00 0.10 0.00 0.00 34.13 30.34 3fhq s GLU 432 CO -0.07 -0.45 -0.22 1.28 0.02 0.00 0.00 175.26 175.83 3fhq n LEU 433 N 5.75 1.80 -4.10 1.80 4.77 -0.21 -4.27 117.00 122.52 3fhq n LEU 433 Ca -0.01 0.13 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 3fhq n LEU 433 Cb 0.49 -0.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 3fhq n LEU 433 CO 0.43 0.51 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.19 3fhq s TYR 434 N -2.34 1.77 0.11 -1.77 1.51 -0.54 -1.28 117.35 114.81 3fhq s TYR 434 Ca -0.25 -0.63 -0.29 0.00 -1.01 0.00 0.00 57.07 54.88 3fhq s TYR 434 Cb 0.09 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 3fhq s TYR 434 CO 0.35 -0.27 0.94 -1.14 -1.11 0.00 0.00 175.55 174.32 3fhq s GLN 435 N 0.40 4.69 0.30 -0.62 2.00 -1.26 -1.31 119.66 123.85 3fhq s GLN 435 Ca -0.12 1.42 -0.02 0.00 -2.00 0.00 0.00 55.36 54.64 3fhq s GLN 435 Cb -0.15 -3.37 -0.01 0.00 0.80 0.00 0.00 33.01 30.28 3fhq s GLN 435 CO 0.04 0.24 0.36 0.95 -0.50 0.00 0.00 175.29 176.38 3fhq s THR 436 N -0.07 0.00 -0.48 -0.34 -4.23 -0.36 -4.61 115.64 105.55 3fhq s THR 436 Ca 0.46 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3fhq s THR 436 Cb -0.23 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.28 3fhq s THR 436 CO 0.29 0.00 0.62 1.21 -0.54 0.00 0.00 174.62 176.20 3fhq n GLU 437 N -0.49 0.45 -4.00 3.99 2.13 -0.38 -4.16 120.64 118.18 3fhq n GLU 437 Ca 0.02 -2.38 -0.33 0.00 0.66 0.00 0.00 57.16 55.13 3fhq n GLU 437 Cb 0.63 -1.52 -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 0.52 3.66 -0.02 4.31 1.43 -0.02 -3.91 118.68 124.65 3fhq s LEU 438 Ca 0.31 -1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 3fhq s LEU 438 Cb 0.03 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 3fhq s LEU 438 CO -0.10 -0.22 1.73 -2.84 0.23 0.00 0.00 176.35 175.14 3fhq s PRO 439 N 1.17 4.17 0.02 1.29 0.02 -1.26 -0.76 135.00 139.65 3fhq s PRO 439 Ca -0.07 2.30 -0.25 0.00 0.02 0.00 0.00 61.00 63.00 3fhq s PRO 439 Cb -0.20 -3.99 -0.05 0.00 0.02 0.00 0.00 34.50 30.28 3fhq s PRO 439 CO -0.03 -0.86 0.77 0.42 -0.33 0.00 0.00 177.00 176.96 3fhq s ILE 440 N 4.01 4.81 0.19 2.83 1.01 0.33 -4.90 121.20 129.49 3fhq s ILE 440 Ca 0.77 1.62 0.02 0.00 0.00 0.00 0.00 60.65 63.06 3fhq s ILE 440 Cb -0.36 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 3fhq s ILE 440 CO 0.33 0.32 0.02 -0.94 0.00 0.00 0.00 174.94 174.67 3fhq s SER 441 N 0.21 1.23 0.38 3.58 1.04 -1.26 -0.57 113.70 118.31 3fhq s SER 441 Ca 0.39 -1.22 -0.27 0.00 0.48 0.00 0.00 55.95 55.34 3fhq s SER 441 Cb -0.20 0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.93 3fhq s SER 441 CO 0.22 -0.60 1.33 -0.62 0.98 0.00 0.00 173.24 174.55 3fhq n GLU 442 N -0.29 2.17 -0.10 4.02 1.02 -1.26 -1.61 120.64 124.59 3fhq n GLU 442 Ca -0.05 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3fhq n GLU 442 Cb 0.64 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 0.71 1.15 3.67 0.62 0.00 -1.26 -5.04 105.19 105.04 3fhq n GLY 443 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.53 4.95 0.20 2.61 2.01 -0.63 -4.92 115.64 117.33 3fhq s THR 444 Ca 0.00 1.42 0.11 0.00 0.31 0.00 0.00 61.69 63.53 3fhq s THR 444 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3fhq s THR 444 CO 0.00 0.07 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.35 3fhq s SER 445 N 1.16 3.57 -0.30 3.53 0.01 0.73 -1.93 113.70 120.47 3fhq s SER 445 Ca 0.34 -0.85 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 3fhq s SER 445 Cb -0.16 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 3fhq s SER 445 CO 0.12 0.11 0.31 -0.76 0.41 0.00 0.00 173.24 173.42 3fhq s LEU 446 N -2.80 4.21 0.17 2.44 1.43 0.48 -1.40 118.68 123.21 3fhq s LEU 446 Ca 0.22 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 3fhq s LEU 446 Cb -0.08 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3fhq s LEU 446 CO 0.11 -0.21 -0.14 0.42 0.23 0.00 0.00 176.35 176.76 3fhq s THR 447 N 1.94 2.96 0.07 5.49 -4.23 -0.08 0.42 115.64 122.21 3fhq s THR 447 Ca 0.11 -1.68 -0.22 0.00 -1.18 0.00 0.00 61.69 58.72 3fhq s THR 447 Cb -0.16 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.30 3fhq s THR 447 CO 0.11 -0.05 0.53 -1.66 -0.54 0.00 0.00 174.62 173.01 3fhq s TRP 448 N -1.55 -0.44 -0.04 3.99 -2.14 -0.83 -1.02 118.94 116.92 3fhq s TRP 448 Ca 0.22 0.42 -0.01 0.00 2.66 0.00 0.00 56.10 59.40 3fhq s TRP 448 Cb -0.09 0.38 0.03 0.00 -3.10 0.00 0.00 33.47 30.69 3fhq s TRP 448 CO 0.13 -0.69 0.04 0.99 -2.66 0.00 0.00 176.95 174.76 3fhq s THR 449 N -2.75 -0.01 0.13 0.66 2.01 0.10 -1.17 115.64 114.60 3fhq s THR 449 Ca -0.04 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 3fhq s THR 449 Cb -0.00 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 3fhq s THR 449 CO -0.04 0.16 0.23 0.72 -0.69 0.00 0.00 174.62 175.00 3fhq s PHE 450 N 1.70 0.32 0.07 4.92 -0.71 -0.52 0.12 117.98 123.87 3fhq s PHE 450 Ca -0.01 -0.71 0.06 0.00 -1.04 0.00 0.00 56.93 55.23 3fhq s PHE 450 Cb -0.12 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 3fhq s PHE 450 CO -0.03 -0.63 -0.09 0.15 -1.34 0.00 0.00 175.22 173.28 3fhq s LYS 451 N -3.93 2.28 -0.17 1.99 1.02 0.74 -0.31 119.74 121.36 3fhq s LYS 451 Ca 0.12 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 3fhq s LYS 451 Cb 0.04 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 35.03 3fhq s LYS 451 CO -0.05 0.54 -0.03 0.45 -0.92 0.00 0.00 175.35 175.35 3fhq s SER 452 N -1.91 2.83 0.50 2.83 0.15 -1.26 -1.67 113.70 115.17 3fhq s SER 452 Ca 0.20 -0.70 0.33 0.00 0.70 0.00 0.00 55.95 56.48 3fhq s SER 452 Cb -0.11 -0.82 1.48 0.00 -1.71 0.00 0.00 66.02 64.86 3fhq s SER 452 CO 0.12 -0.22 1.98 -0.33 1.20 0.00 0.00 173.24 175.99 3fhq h GLU 453 N 8.15 0.00 0.00 5.44 4.39 -1.63 -2.96 114.58 127.97 3fhq h GLU 453 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 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 0.37 0.00 -0.04 0.72 -1.16 0.00 0.00 179.01 178.91 3fhq n HIS 454 N -2.86 0.00 0.00 4.33 8.25 -1.26 -4.99 115.22 118.68 3fhq n HIS 454 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3fhq n HIS 454 Cb 0.23 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.70 0.00 -4.45 0.41 8.00 -1.12 -4.96 116.55 113.72 3fhq n ASP 455 Ca 0.05 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 3fhq n ASP 455 Cb 0.43 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.99 -4.89 -2.24 4.13 -1.26 -4.96 115.26 105.05 3fhq n ASN 456 Ca 0.00 0.84 -0.29 0.00 1.68 0.00 0.00 54.58 56.81 3fhq n ASN 456 Cb 0.00 -1.13 -0.02 0.00 -1.54 0.00 0.00 39.78 37.09 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 -1.01 6.39 -0.30 6.41 2.15 -1.26 -4.80 116.67 124.24 3fhq s ASP 457 Ca 0.65 1.01 -0.04 0.00 0.43 0.00 0.00 52.55 54.59 3fhq s ASP 457 Cb -0.54 -2.28 0.03 0.00 -0.30 0.00 0.00 42.92 39.84 3fhq s ASP 457 CO 0.57 -0.48 0.04 -0.22 -0.17 0.00 0.00 175.17 174.91 3fhq s LEU 458 N -4.27 3.88 0.38 -1.34 2.96 -1.26 -4.50 118.68 114.54 3fhq s LEU 458 Ca 0.49 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.21 3fhq s LEU 458 Cb -0.10 -1.79 -0.08 0.00 0.50 0.00 0.00 46.19 44.72 3fhq s LEU 458 CO 0.38 -0.24 0.80 0.20 -1.32 0.00 0.00 176.35 176.16 3fhq s ASN 459 N 1.36 6.69 0.23 3.68 0.01 0.80 -4.82 114.94 122.91 3fhq s ASN 459 Ca -0.02 1.31 -0.04 0.00 -0.71 0.00 0.00 52.86 53.40 3fhq s ASN 459 Cb -0.19 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 3fhq s ASN 459 CO 0.00 -0.33 0.48 0.54 -1.51 0.00 0.00 177.10 176.29 3fhq s VAL 460 N -2.20 5.09 -0.06 1.60 0.11 -0.89 -1.29 120.40 122.76 3fhq s VAL 460 Ca 0.55 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 3fhq s VAL 460 Cb -0.10 -3.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 3fhq s VAL 460 CO 0.23 -0.19 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.84 3fhq s GLY 461 N -2.94 0.82 -0.01 6.54 0.00 0.12 -2.03 107.32 109.82 3fhq s GLY 461 Ca 0.42 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.66 3fhq s GLY 461 CO 0.28 -0.06 -0.06 -0.11 0.00 0.00 0.00 173.10 173.15 3fhq s PHE 462 N 0.42 0.60 -0.13 1.90 -0.12 -0.73 0.15 117.98 120.06 3fhq s PHE 462 Ca -0.10 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.62 3fhq s PHE 462 Cb -0.14 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.81 3fhq s PHE 462 CO 0.03 -0.03 -0.01 0.50 -0.05 0.00 0.00 175.22 175.66 3fhq s ARG 463 N -0.02 3.45 0.06 1.99 3.52 -0.35 -0.63 118.95 126.97 3fhq s ARG 463 Ca 0.01 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 3fhq s ARG 463 Cb -0.04 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3fhq s ARG 463 CO -0.00 0.42 0.14 -0.51 -0.81 0.00 0.00 175.30 174.54 3fhq s LEU 464 N -0.11 4.09 0.00 -0.88 1.43 -1.26 -0.13 118.68 121.82 3fhq s LEU 464 Ca 0.04 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3fhq s LEU 464 Cb -0.13 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 3fhq s LEU 464 CO 0.02 0.19 0.56 -0.67 0.23 0.00 0.00 176.35 176.68 3fhq n ASP 465 N 0.48 -0.12 -1.12 2.29 -0.08 0.21 -4.81 116.55 113.39 3fhq n ASP 465 Ca -0.08 -1.09 0.00 0.00 -1.51 0.00 0.00 54.79 52.12 3fhq n ASP 465 Cb 0.51 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.80 3fhq n ASP 465 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3fhq n ASP 469 N 4.18 0.00 -4.81 1.67 9.92 -1.26 -4.95 116.55 121.31 3fhq n ASP 469 Ca 0.07 0.74 -0.36 0.00 -0.53 0.00 0.00 54.79 54.71 3fhq n ASP 469 Cb 0.12 -1.12 -0.06 0.00 -0.64 0.00 0.00 41.12 39.43 3fhq n ASP 469 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3fhq s PHE 470 N -0.69 3.60 -0.31 1.24 0.08 -1.26 -4.71 117.98 115.93 3fhq s PHE 470 Ca 0.00 1.53 -0.20 0.00 0.12 0.00 0.00 56.93 58.38 3fhq s PHE 470 Cb 0.00 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 3fhq s PHE 470 CO 0.00 0.22 0.63 1.03 -0.10 0.00 0.00 175.22 176.99 3fhq s ARG 471 N -2.24 3.90 -0.25 0.44 1.81 0.20 -4.89 118.95 117.90 3fhq s ARG 471 Ca 0.49 0.29 -0.09 0.00 -1.72 0.00 0.00 55.73 54.69 3fhq s ARG 471 Cb -0.16 -3.73 -0.04 0.00 -0.45 0.00 0.00 34.95 30.57 3fhq s ARG 471 CO 0.21 -0.57 0.13 0.71 -0.68 0.00 0.00 175.30 175.10 3fhq s TYR 472 N 2.60 3.18 0.08 -0.53 2.02 -1.26 -1.78 117.35 121.67 3fhq s TYR 472 Ca 0.25 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 3fhq s TYR 472 Cb -0.15 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 3fhq s TYR 472 CO 0.12 -0.18 -0.05 0.14 -1.57 0.00 0.00 175.55 174.01 3fhq s VAL 473 N 1.49 0.53 0.22 0.71 -7.23 -0.86 -5.01 120.40 110.25 3fhq s VAL 473 Ca 0.06 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3fhq s VAL 473 Cb -0.15 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 3fhq s VAL 473 CO 0.07 -0.91 0.46 -1.83 -0.31 0.00 0.00 175.10 172.58 3fhq s GLU 474 N -3.81 3.62 1.09 4.82 -1.05 -1.26 -2.10 118.70 120.00 3fhq s GLU 474 Ca 0.10 -0.08 -0.12 0.00 -0.15 0.00 0.00 54.97 54.72 3fhq s GLU 474 Cb 0.06 -2.76 0.23 0.00 -0.44 0.00 0.00 34.13 31.22 3fhq s GLU 474 CO -0.06 0.35 0.98 0.41 0.95 0.00 0.00 175.26 177.89 3fhq n GLY 475 N -0.47 -1.51 0.16 -3.83 0.00 -1.26 -4.97 105.19 93.30 3fhq n GLY 475 Ca -0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.48 0.58 -4.45 1.61 2.13 -0.36 -4.94 120.64 110.73 3fhq n GLU 476 Ca 0.06 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.75 3fhq n GLU 476 Cb 0.54 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 30.64 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 -2.48 3.15 -0.00 5.31 2.00 -0.84 -4.97 119.66 121.82 3fhq s GLN 477 Ca -0.35 -0.78 -0.01 0.00 -2.00 0.00 0.00 55.36 52.22 3fhq s GLN 477 Cb 0.12 -2.60 -0.04 0.00 0.80 0.00 0.00 33.01 31.29 3fhq s GLN 477 CO 0.50 -0.04 0.12 0.50 -0.50 0.00 0.00 175.29 175.87 3fhq s ARG 478 N 0.94 3.20 -0.08 1.67 3.52 -1.26 -1.20 118.95 125.74 3fhq s ARG 478 Ca -0.03 -0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 3fhq s ARG 478 Cb -0.15 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3fhq s ARG 478 CO -0.03 0.65 0.20 -2.00 -0.81 0.00 0.00 175.30 173.32 3fhq s GLU 479 N -1.85 0.23 -0.19 5.12 2.12 -0.12 -4.98 118.70 119.03 3fhq s GLU 479 Ca 0.25 0.30 -0.09 0.00 0.36 0.00 0.00 54.97 55.79 3fhq s GLU 479 Cb -0.12 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 3fhq s GLU 479 CO 0.16 -0.04 0.11 -1.12 -0.54 0.00 0.00 175.26 173.83 3fhq s SER 480 N 0.22 6.03 -0.23 -1.70 0.01 -1.26 -0.31 113.70 116.46 3fhq s SER 480 Ca -0.01 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.40 3fhq s SER 480 Cb -0.02 -2.05 0.08 0.00 0.21 0.00 0.00 66.02 64.23 3fhq s SER 480 CO -0.01 0.18 0.09 -0.63 0.41 0.00 0.00 173.24 173.28 3fhq s ILE 481 N 0.35 0.22 -1.70 1.44 1.01 0.03 -4.89 121.20 117.66 3fhq s ILE 481 Ca 0.06 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 3fhq s ILE 481 Cb -0.11 -0.98 0.15 0.00 0.01 0.00 0.00 42.46 41.53 3fhq s ILE 481 CO -0.01 -0.45 0.68 0.59 0.00 0.00 0.00 174.94 175.74 3fhq n ASN 482 N 5.15 -2.53 0.00 3.58 3.02 -1.26 -0.53 115.26 122.69 3fhq n ASN 482 Ca -0.06 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3fhq n ASN 482 Cb 0.45 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 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 -1.47 0.59 3.90 7.41 0.00 -1.26 -4.81 105.19 109.55 3fhq n GLY 483 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 3.54 -0.25 1.61 0.52 0.31 -4.76 118.94 117.67 3fhq s TRP 484 Ca 0.00 0.41 -0.09 0.00 0.02 0.00 0.00 56.10 56.45 3fhq s TRP 484 Cb 0.00 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 3fhq s TRP 484 CO 0.00 0.60 0.11 0.99 0.02 0.00 0.00 176.95 178.67 3fhq s THR 485 N -1.41 4.74 -0.27 2.01 2.01 0.57 -0.79 115.64 122.51 3fhq s THR 485 Ca 0.31 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 3fhq s THR 485 Cb -0.13 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.17 3fhq s THR 485 CO 0.21 0.33 0.03 -1.58 -0.69 0.00 0.00 174.62 172.92 3fhq s GLN 486 N 1.43 3.09 0.14 4.92 0.74 0.58 -1.44 119.66 129.11 3fhq s GLN 486 Ca 0.06 -0.84 -0.12 0.00 0.05 0.00 0.00 55.36 54.50 3fhq s GLN 486 Cb -0.15 -3.23 -0.07 0.00 1.10 0.00 0.00 33.01 30.67 3fhq s GLN 486 CO 0.05 -0.39 0.51 -1.58 -0.55 0.00 0.00 175.29 173.33 3fhq s TRP 487 N 1.46 3.57 -0.10 1.67 0.52 -0.32 -0.94 118.94 124.80 3fhq s TRP 487 Ca 0.02 0.96 0.03 0.00 0.02 0.00 0.00 56.10 57.13 3fhq s TRP 487 Cb -0.17 -2.29 0.01 0.00 -1.15 0.00 0.00 33.47 29.87 3fhq s TRP 487 CO 0.00 0.43 -0.19 0.99 0.02 0.00 0.00 176.95 178.20 3fhq s THR 488 N -1.50 1.71 -0.29 2.01 2.01 -0.34 -1.96 115.64 117.28 3fhq s THR 488 Ca 0.38 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.61 3fhq s THR 488 Cb -0.14 -1.51 0.08 0.00 0.01 0.00 0.00 72.50 70.94 3fhq s THR 488 CO 0.19 0.48 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.37 3fhq s LEU 489 N 0.66 3.67 0.47 4.42 2.96 0.17 -1.22 118.68 129.81 3fhq s LEU 489 Ca -0.13 -1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 51.85 3fhq s LEU 489 Cb -0.16 -1.43 -0.07 0.00 0.50 0.00 0.00 46.19 45.03 3fhq s LEU 489 CO 0.03 -0.30 1.37 -2.84 -1.32 0.00 0.00 176.35 173.29 3fhq s PRO 490 N 1.14 3.56 -0.08 0.98 0.02 -1.26 -0.39 135.00 138.96 3fhq s PRO 490 Ca 0.02 2.28 0.12 0.00 0.02 0.00 0.00 61.00 63.44 3fhq s PRO 490 Cb -0.19 -2.53 0.20 0.00 0.02 0.00 0.00 34.50 32.00 3fhq s PRO 490 CO -0.09 -0.87 1.11 1.28 -0.33 0.00 0.00 177.00 178.11 3fhq n LEU 491 N -0.43 2.32 -0.17 -5.54 4.77 -0.81 -4.75 117.00 112.38 3fhq n LEU 491 Ca 0.07 -2.68 0.11 0.00 -0.03 0.00 0.00 56.01 53.49 3fhq n LEU 491 Cb 0.43 -0.28 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 3fhq n LEU 491 CO 0.56 0.64 1.21 0.44 -1.33 0.00 0.00 177.39 178.90 3fhq h ASP 492 N 0.14 0.52 0.00 -1.43 3.45 -1.85 0.19 116.42 117.44 3fhq h ASP 492 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3fhq h ASP 492 Cb 0.84 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3fhq h ASP 492 CO 0.01 0.30 0.02 0.00 -1.57 0.00 0.00 179.24 178.00 3fhq n ALA 493 N -2.48 0.97 0.01 3.45 0.00 -1.26 -1.94 120.51 119.25 3fhq n ALA 493 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.61 3fhq n ALA 493 Cb 0.40 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.60 0.09 -1.58 0.00 3.01 0.67 -5.05 117.46 113.00 3fhq n PHE 494 Ca -0.00 -0.34 -0.47 0.00 1.01 0.00 0.00 57.45 57.65 3fhq n PHE 494 Cb 0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 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 -0.09 -0.55 0.00 4.37 0.00 -0.82 -0.59 120.51 122.82 3fhq n ALA 495 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3fhq n ALA 495 Cb 0.23 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.82 2.18 3.95 0.00 0.00 0.27 -4.96 105.19 108.44 3fhq n GLY 496 Ca 0.13 0.00 -0.23 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 -0.84 2.56 -0.10 1.61 -1.52 0.24 -4.89 119.66 116.72 3fhq s GLN 497 Ca 0.00 -0.49 0.01 0.00 -1.95 0.00 0.00 55.36 52.92 3fhq s GLN 497 Cb 0.00 -2.38 0.02 0.00 -0.22 0.00 0.00 33.01 30.43 3fhq s GLN 497 CO 0.00 -0.81 -0.10 0.99 -0.25 0.00 0.00 175.29 175.13 3fhq s THR 498 N -2.90 1.12 0.04 -0.19 2.01 -1.26 -0.51 115.64 113.95 3fhq s THR 498 Ca 0.56 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3fhq s THR 498 Cb -0.10 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 3fhq s THR 498 CO 0.41 0.37 1.13 -0.63 -0.69 0.00 0.00 174.62 175.21 3fhq s ILE 499 N 1.35 4.31 -0.47 1.82 1.01 0.07 -0.62 121.20 128.67 3fhq s ILE 499 Ca -0.01 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.34 3fhq s ILE 499 Cb -0.14 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 38.33 3fhq s ILE 499 CO -0.05 0.13 0.78 0.35 0.00 0.00 0.00 174.94 176.15 3fhq n THR 500 N 3.92 0.32 -3.62 2.92 -2.24 0.82 -0.84 114.28 115.57 3fhq n THR 500 Ca 0.08 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 3fhq n THR 500 Cb 0.48 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.56 -0.18 0.06 3.38 0.00 -1.19 -1.22 107.32 107.61 3fhq s GLY 501 Ca 0.06 2.48 0.08 0.00 0.00 0.00 0.00 44.72 47.34 3fhq s GLY 501 CO 0.06 1.58 -0.21 1.08 0.00 0.00 0.00 173.10 175.60 3fhq s LEU 502 N -0.20 2.20 0.30 0.66 1.43 -0.42 -1.21 118.68 121.43 3fhq s LEU 502 Ca 0.02 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 3fhq s LEU 502 Cb -0.04 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.21 3fhq s LEU 502 CO -0.04 0.15 0.63 0.00 0.23 0.00 0.00 176.35 177.33 3fhq s ALA 503 N -0.88 -0.60 0.13 4.21 0.00 0.12 -1.05 121.76 123.70 3fhq s ALA 503 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3fhq s ALA 503 Cb -0.09 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3fhq s ALA 503 CO 0.02 -0.94 -0.11 -0.06 0.00 0.00 0.00 175.76 174.67 3fhq s PHE 504 N -3.52 1.27 -0.03 0.00 0.08 0.05 0.13 117.98 115.96 3fhq s PHE 504 Ca 0.18 -0.68 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 3fhq s PHE 504 Cb -0.04 -0.65 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 3fhq s PHE 504 CO 0.10 0.09 0.23 0.00 -0.10 0.00 0.00 175.22 175.54 3fhq s ALA 505 N -2.84 -0.56 0.05 5.36 0.00 -0.41 -0.77 121.76 122.58 3fhq s ALA 505 Ca 0.13 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 3fhq s ALA 505 Cb -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3fhq s ALA 505 CO 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 175.76 175.53 3fhq s ALA 506 N -1.01 0.47 -0.12 0.00 0.00 -0.14 -0.14 121.76 120.82 3fhq s ALA 506 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3fhq s ALA 506 Cb -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3fhq s ALA 506 CO 0.02 -0.26 -0.17 -2.00 0.00 0.00 0.00 175.76 173.35 3fhq s GLU 507 N -3.00 3.27 0.54 0.00 2.12 -1.26 -1.29 118.70 119.08 3fhq s GLU 507 Ca -0.00 -0.75 -0.20 0.00 0.36 0.00 0.00 54.97 54.38 3fhq s GLU 507 Cb 0.01 -2.51 -0.06 0.00 0.26 0.00 0.00 34.13 31.83 3fhq s GLU 507 CO -0.06 0.20 1.13 0.20 -0.54 0.00 0.00 175.26 176.20 3fhq s GLY 508 N 0.34 2.64 0.00 -1.50 0.00 -0.63 -4.77 107.32 103.40 3fhq s GLY 508 Ca -0.14 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3fhq s GLY 508 CO 0.07 1.19 0.00 1.16 0.00 0.00 0.00 173.10 175.52 3fhq n ASN 509 N -1.28 1.95 -0.11 1.64 0.23 -1.26 -1.27 115.26 115.15 3fhq n ASN 509 Ca 0.12 -0.99 0.17 0.00 -0.53 0.00 0.00 54.58 53.35 3fhq n ASN 509 Cb 0.51 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.27 -1.01 -3.83 4.81 -1.94 0.12 114.58 113.01 3fhq h GLU 510 Ca 0.00 -0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 3fhq h GLU 510 Cb 0.00 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.21 3fhq h GLU 510 CO 0.00 0.18 0.61 1.15 -0.73 0.00 0.00 179.01 180.23 3fhq h THR 511 N 0.28 0.72 0.00 0.32 2.02 -1.93 -3.46 112.91 110.87 3fhq h THR 511 Ca 0.33 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3fhq h THR 511 Cb 0.90 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3fhq h THR 511 CO -0.08 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3fhq n GLY 512 N -1.33 1.03 3.50 2.16 0.00 0.02 -5.01 105.19 105.56 3fhq n GLY 512 Ca 0.23 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 2.73 -0.02 0.99 1.02 -1.24 -0.66 118.68 121.50 3fhq s LEU 513 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.67 3fhq s LEU 513 Cb 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.63 3fhq s LEU 513 CO 0.00 0.19 -0.07 0.00 0.02 0.00 0.00 176.35 176.49 3fhq s ALA 514 N -1.11 0.68 -0.32 4.21 0.00 -0.27 -4.68 121.76 120.27 3fhq s ALA 514 Ca 0.18 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3fhq s ALA 514 Cb -0.11 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 22.93 3fhq s ALA 514 CO 0.10 0.12 0.35 -2.00 0.00 0.00 0.00 175.76 174.33 3fhq s GLU 515 N 0.09 0.47 0.01 0.00 2.12 -1.26 -0.42 118.70 119.70 3fhq s GLU 515 Ca -0.01 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3fhq s GLU 515 Cb -0.06 -0.62 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 3fhq s GLU 515 CO -0.00 -1.10 0.15 -0.06 -0.54 0.00 0.00 175.26 173.71 3fhq s PHE 516 N 2.02 3.44 -0.10 5.30 0.08 0.16 -1.47 117.98 127.41 3fhq s PHE 516 Ca 0.12 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.47 3fhq s PHE 516 Cb -0.14 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3fhq s PHE 516 CO -0.21 0.60 -0.13 0.71 -0.10 0.00 0.00 175.22 176.10 3fhq s TYR 517 N -1.32 1.77 -0.13 0.36 1.51 -0.67 -1.15 117.35 117.73 3fhq s TYR 517 Ca 0.27 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 3fhq s TYR 517 Cb -0.12 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 3fhq s TYR 517 CO 0.19 -0.46 -0.21 -0.08 -1.11 0.00 0.00 175.55 173.87 3fhq s THR 518 N 1.13 2.22 0.00 -0.71 -1.32 -0.10 -0.19 115.64 116.68 3fhq s THR 518 Ca -0.04 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 3fhq s THR 518 Cb -0.14 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.97 3fhq s THR 518 CO -0.03 0.55 0.57 0.61 -2.21 0.00 0.00 174.62 174.10 3fhq n GLY 519 N 3.83 -0.24 3.61 6.08 0.00 0.12 -1.27 105.19 117.32 3fhq n GLY 519 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.24 0.70 -0.12 1.61 1.03 -1.19 -4.28 119.66 117.17 3fhq s GLN 520 Ca 0.00 0.62 -0.09 0.00 0.04 0.00 0.00 55.36 55.93 3fhq s GLN 520 Cb 0.00 0.34 0.04 0.00 0.03 0.00 0.00 33.01 33.41 3fhq s GLN 520 CO 0.00 -0.13 0.31 -1.17 -2.54 0.00 0.00 175.29 171.76 3fhq s LEU 521 N -0.09 0.61 -0.13 2.60 2.96 -0.26 -0.72 118.68 123.64 3fhq s LEU 521 Ca -0.00 0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 3fhq s LEU 521 Cb -0.04 1.01 0.07 0.00 0.50 0.00 0.00 46.19 47.74 3fhq s LEU 521 CO -0.01 -0.13 0.69 0.00 -1.32 0.00 0.00 176.35 175.58 3fhq s ALA 522 N 0.59 -1.77 -0.19 5.97 0.00 -0.19 -1.34 121.76 124.83 3fhq s ALA 522 Ca -0.04 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3fhq s ALA 522 Cb -0.05 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.68 3fhq s ALA 522 CO -0.04 -0.36 -0.18 0.08 0.00 0.00 0.00 175.76 175.26 3fhq s VAL 523 N -0.64 2.12 0.00 0.00 1.01 0.09 -0.90 120.40 122.07 3fhq s VAL 523 Ca -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3fhq s VAL 523 Cb -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3fhq s VAL 523 CO 0.07 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3fhq n GLY 524 N 4.60 -0.44 3.65 4.51 0.00 -0.49 -0.68 105.19 116.34 3fhq n GLY 524 Ca -0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.55 0.02 0.47 1.61 0.02 -1.26 -0.19 135.00 135.11 3fhq s PRO 530 Ca 0.00 0.01 -0.22 0.00 0.02 0.00 0.00 61.00 60.80 3fhq s PRO 530 Cb 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 34.50 34.46 3fhq s PRO 530 CO 0.00 -0.01 1.14 0.00 -0.33 0.00 0.00 177.00 177.80 3fhq s ALA 531 N -0.89 2.93 0.17 -1.55 0.00 -1.26 -4.33 121.76 116.83 3fhq s ALA 531 Ca 0.09 0.87 -0.34 0.00 0.00 0.00 0.00 51.96 52.59 3fhq s ALA 531 Cb -0.01 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 3fhq s ALA 531 CO -0.10 -0.61 1.41 0.00 0.00 0.00 0.00 175.76 176.47 3fhq n ALA 532 N -0.62 0.43 -1.80 0.00 0.00 -1.26 -4.74 120.51 112.53 3fhq n ALA 532 Ca 0.08 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 3fhq n ALA 532 Cb 0.49 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 0.24 4.19 -0.61 0.00 0.02 -1.26 -4.94 135.00 132.63 3fhq s PRO 533 Ca 0.76 2.46 -0.24 0.00 0.02 0.00 0.00 61.00 64.00 3fhq s PRO 533 Cb -0.76 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 30.78 3fhq s PRO 533 CO 0.45 -0.49 1.00 1.21 -0.33 0.00 0.00 177.00 178.84 3fhq s ASN 534 N 0.13 6.27 -0.12 2.53 2.47 -1.26 -4.71 114.94 120.25 3fhq s ASN 534 Ca 0.57 -0.56 -0.00 0.00 0.42 0.00 0.00 52.86 53.29 3fhq s ASN 534 Cb -0.45 -2.45 -0.02 0.00 -1.45 0.00 0.00 41.25 36.88 3fhq s ASN 534 CO 0.52 -1.38 -0.11 -0.69 -3.72 0.00 0.00 177.10 171.72 3fhq s VAL 535 N 4.24 3.25 -0.00 -5.21 1.01 -1.26 -3.87 120.40 118.55 3fhq s VAL 535 Ca 0.29 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.72 3fhq s VAL 535 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3fhq s VAL 535 CO 0.16 0.54 -0.19 0.20 0.00 0.00 0.00 175.10 175.80 3fhq s ASN 536 N 0.08 3.67 -0.31 3.32 0.01 0.02 -4.95 114.94 116.79 3fhq s ASN 536 Ca -0.04 -0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 51.54 3fhq s ASN 536 Cb -0.14 -0.61 -0.01 0.00 0.41 0.00 0.00 41.25 40.89 3fhq s ASN 536 CO 0.04 0.30 0.63 -0.69 -1.51 0.00 0.00 177.10 175.87 3fhq s VAL 537 N -0.78 4.94 0.27 1.60 1.01 -1.26 -0.94 120.40 125.23 3fhq s VAL 537 Ca 0.12 0.85 0.12 0.00 0.00 0.00 0.00 61.98 63.07 3fhq s VAL 537 Cb -0.10 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3fhq s VAL 537 CO 0.02 -0.14 -0.18 -0.13 0.00 0.00 0.00 175.10 174.67 3fhq s ARG 538 N 2.61 1.75 0.28 2.72 1.81 -0.07 -4.99 118.95 123.06 3fhq s ARG 538 Ca 0.25 -1.71 -0.30 0.00 -1.72 0.00 0.00 55.73 52.26 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 0.12 0.34 1.41 -0.65 -0.68 0.00 0.00 175.30 175.83 3fhq s GLN 539 N -3.48 4.28 -0.65 3.54 -1.52 -1.26 -1.41 119.66 119.15 3fhq s GLN 539 Ca 0.30 2.29 -0.15 0.00 -1.95 0.00 0.00 55.36 55.85 3fhq s GLN 539 Cb -0.05 -3.09 0.16 0.00 -0.22 0.00 0.00 33.01 29.81 3fhq s GLN 539 CO 0.15 -0.36 0.61 -0.47 -0.25 0.00 0.00 175.29 174.97 3fhq s TYR 540 N -0.38 3.45 0.25 0.91 5.04 -1.26 -4.69 117.35 120.67 3fhq s TYR 540 Ca 0.56 -1.56 -0.09 0.00 -2.44 0.00 0.00 57.07 53.54 3fhq s TYR 540 Cb -0.41 -3.81 0.40 0.00 0.35 0.00 0.00 41.96 38.49 3fhq s TYR 540 CO 0.47 -1.01 1.61 -0.44 -1.34 0.00 0.00 175.55 174.84 3fhq h ASP 541 N 8.46 -0.55 0.29 4.32 3.32 -1.94 0.11 116.42 130.43 3fhq h ASP 541 Ca -0.14 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fhq h ASP 541 Cb 1.08 0.43 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3fhq h ASP 541 CO 0.93 -0.23 0.00 -0.65 -1.72 0.00 0.00 179.24 177.56 3fhq h PRO 542 N 0.04 0.00 -2.88 3.56 0.11 -1.94 -3.31 132.00 127.59 3fhq h PRO 542 Ca 0.41 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.91 3fhq h PRO 542 Cb 0.69 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.40 3fhq h PRO 542 CO -0.75 0.00 -0.76 0.34 -0.21 0.00 0.00 178.00 176.61 3fhq s ASP 543 N -4.84 3.42 0.93 -2.05 2.15 0.37 -5.09 116.67 111.56 3fhq s ASP 543 Ca -0.02 -2.77 -0.10 0.00 0.43 0.00 0.00 52.55 50.09 3fhq s ASP 543 Cb 0.10 -0.96 0.16 0.00 -0.30 0.00 0.00 42.92 41.92 3fhq s ASP 543 CO 0.38 -0.24 1.13 -2.84 -0.17 0.00 0.00 175.17 173.43 3fhq s PRO 544 N 0.20 0.88 0.00 4.34 0.02 -1.25 -1.61 135.00 137.57 3fhq s PRO 544 Ca 0.20 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3fhq s PRO 544 Cb -0.18 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3fhq s PRO 544 CO -0.04 -2.69 0.00 -1.13 -0.33 0.00 0.00 177.00 172.81 3fhq n SER 545 N -4.26 0.00 -4.75 2.53 3.41 -1.26 -4.96 113.62 104.33 3fhq n SER 545 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.48 3fhq n SER 545 Cb 0.52 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 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 2.19 0.18 5.00 0.00 -0.64 -2.11 107.32 109.95 3fhq s GLY 546 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 42.66 3fhq s GLY 546 CO 0.00 -1.84 0.23 -0.26 0.00 0.00 0.00 173.10 171.22 3fhq s ILE 547 N -2.53 0.05 -0.02 0.90 -4.36 -0.83 -4.36 121.20 110.04 3fhq s ILE 547 Ca 0.41 -1.65 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 3fhq s ILE 547 Cb 0.01 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.62 3fhq s ILE 547 CO 0.23 -0.22 -0.14 0.00 0.24 0.00 0.00 174.94 175.05 3fhq s GLN 548 N -4.04 1.31 -0.14 0.37 -2.07 -0.50 -1.19 119.66 113.41 3fhq s GLN 548 Ca 0.25 -0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 53.12 3fhq s GLN 548 Cb 0.04 -1.20 -0.04 0.00 -1.09 0.00 0.00 33.01 30.72 3fhq s GLN 548 CO 0.05 0.24 0.43 -0.51 -1.32 0.00 0.00 175.29 174.18 3fhq s LEU 549 N -0.09 4.25 -0.08 2.60 2.01 -0.00 -0.89 118.68 126.48 3fhq s LEU 549 Ca 0.01 0.72 0.03 0.00 0.01 0.00 0.00 54.13 54.89 3fhq s LEU 549 Cb -0.08 -2.61 0.01 0.00 0.01 0.00 0.00 46.19 43.52 3fhq s LEU 549 CO 0.00 0.01 -0.16 -0.69 1.01 0.00 0.00 176.35 176.52 3fhq s VAL 550 N 0.70 1.41 0.39 -1.59 1.01 -0.12 -1.11 120.40 121.09 3fhq s VAL 550 Ca 0.23 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3fhq s VAL 550 Cb -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3fhq s VAL 550 CO 0.09 0.42 0.08 -1.66 0.00 0.00 0.00 175.10 174.03 3fhq s TRP 551 N 0.59 1.89 0.00 5.22 -2.14 -0.05 -0.80 118.94 123.65 3fhq s TRP 551 Ca -0.15 -1.10 0.00 0.00 2.66 0.00 0.00 56.10 57.50 3fhq s TRP 551 Cb -0.16 -1.29 0.00 0.00 -3.10 0.00 0.00 33.47 28.92 3fhq s TRP 551 CO 0.05 -0.09 0.00 -0.85 -2.66 0.00 0.00 176.95 173.40 3fhq n GLU 552 N -0.88 0.00 0.00 3.25 -0.00 -1.25 -4.77 120.64 116.99 3fhq n GLU 552 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 3fhq n GLU 552 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.10 3fhq n GLU 552 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3fhq n ASN 556 N 0.00 0.00 -4.45 -1.84 0.23 -1.26 -4.97 115.26 102.97 3fhq n ASN 556 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.72 3fhq n ASN 556 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 3fhq n ASN 556 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3fhq s VAL 557 N 0.00 3.56 -0.06 3.53 1.01 -1.26 -3.00 120.40 124.17 3fhq s VAL 557 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3fhq s VAL 557 Cb 0.00 -2.53 -0.29 0.00 0.00 0.00 0.00 36.38 33.55 3fhq s VAL 557 CO 0.00 0.51 0.90 -0.74 0.00 0.00 0.00 175.10 175.77 3fhq h HIS 558 N 6.66 0.44 -2.21 5.22 2.76 -0.53 -3.45 115.15 124.04 3fhq h HIS 558 Ca -0.29 -0.31 0.17 0.00 -2.20 0.00 0.00 60.37 57.74 3fhq h HIS 558 Cb 1.20 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 30.02 3fhq h HIS 558 CO 0.52 1.22 0.53 -3.38 -1.30 0.00 0.00 177.93 175.52 3fhq s HIS 559 N -2.50 -0.20 0.02 5.26 -0.00 -1.20 -4.69 115.29 111.98 3fhq s HIS 559 Ca -0.15 -0.02 0.04 0.00 -0.00 0.00 0.00 55.06 54.94 3fhq s HIS 559 Cb 0.00 0.59 -0.03 0.00 -0.00 0.00 0.00 32.58 33.14 3fhq s HIS 559 CO 0.80 -0.65 -0.09 0.71 -0.00 0.00 0.00 174.74 175.51 3fhq s TYR 560 N -3.12 2.82 -0.11 0.38 2.02 0.21 -1.27 117.35 118.28 3fhq s TYR 560 Ca 0.10 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 3fhq s TYR 560 Cb -0.01 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3fhq s TYR 560 CO -0.03 0.36 -0.21 1.03 -1.57 0.00 0.00 175.55 175.14 3fhq s ARG 561 N -1.55 3.13 -0.26 -0.62 0.52 -0.56 -1.38 118.95 118.22 3fhq s ARG 561 Ca 0.17 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 3fhq s ARG 561 Cb -0.11 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 3fhq s ARG 561 CO 0.08 0.21 0.04 0.08 0.02 0.00 0.00 175.30 175.73 3fhq s VAL 562 N 0.31 3.91 0.02 3.52 1.01 0.11 -1.92 120.40 127.36 3fhq s VAL 562 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3fhq s VAL 562 Cb -0.17 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3fhq s VAL 562 CO 0.08 0.25 0.10 -0.31 0.00 0.00 0.00 175.10 175.21 3fhq s TYR 563 N 1.53 3.30 0.03 5.22 2.02 0.17 -0.82 117.35 128.80 3fhq s TYR 563 Ca 0.04 0.18 0.09 0.00 -0.37 0.00 0.00 57.07 57.02 3fhq s TYR 563 Cb -0.16 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3fhq s TYR 563 CO 0.01 0.55 -0.25 -1.59 -1.57 0.00 0.00 175.55 172.70 3fhq s LYS 564 N -2.00 1.89 0.19 -0.62 -2.85 0.68 -0.55 119.74 116.48 3fhq s LYS 564 Ca 0.26 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.87 3fhq s LYS 564 Cb -0.12 -2.02 -0.08 0.00 -2.06 0.00 0.00 37.83 33.55 3fhq s LYS 564 CO 0.18 0.52 1.15 -1.21 0.10 0.00 0.00 175.35 176.09 3fhq s GLU 565 N -1.17 4.54 0.24 1.78 2.02 -0.84 -1.41 118.70 123.86 3fhq s GLU 565 Ca 0.12 1.81 0.01 0.00 0.02 0.00 0.00 54.97 56.93 3fhq s GLU 565 Cb -0.10 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 3fhq s GLU 565 CO 0.02 -0.01 0.11 0.95 0.02 0.00 0.00 175.26 176.35 3fhq s THR 566 N -0.22 0.38 -0.43 3.63 -4.23 -0.79 -4.80 115.64 109.19 3fhq s THR 566 Ca 0.51 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 3fhq s THR 566 Cb -0.31 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.13 3fhq s THR 566 CO 0.36 0.00 1.58 0.29 -0.54 0.00 0.00 174.62 176.31 3fhq n LYS 567 N -0.41 0.13 -0.77 3.99 5.02 -1.26 -2.13 118.16 122.73 3fhq n LYS 567 Ca 0.01 0.54 -0.03 0.00 -2.02 0.00 0.00 58.31 56.80 3fhq n LYS 567 Cb 0.66 -1.85 0.20 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.11 1.00 -0.36 2.13 8.25 -1.26 -5.09 115.22 117.78 3fhq n HIS 568 Ca 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 3fhq n HIS 568 Cb 0.09 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 -1.10 -2.79 3.74 -1.41 0.00 -0.91 -4.94 105.19 97.78 3fhq n GLY 569 Ca 0.32 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.45 4.62 -0.04 1.61 -2.85 -1.26 -1.88 119.74 119.48 3fhq s LYS 570 Ca 0.00 1.72 0.07 0.00 -1.00 0.00 0.00 55.97 56.76 3fhq s LYS 570 Cb 0.00 -3.26 -0.01 0.00 -2.06 0.00 0.00 37.83 32.50 3fhq s LYS 570 CO 0.00 0.12 -0.24 -2.00 0.10 0.00 0.00 175.35 173.33 3fhq s GLU 571 N -0.62 2.30 -0.06 1.78 2.12 -0.50 -4.90 118.70 118.83 3fhq s GLU 571 Ca 0.48 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 3fhq s GLU 571 Cb -0.30 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 3fhq s GLU 571 CO 0.36 0.43 1.17 -1.17 -0.54 0.00 0.00 175.26 175.51 3fhq s LEU 572 N -0.30 4.28 0.00 2.70 2.96 0.96 -0.23 118.68 129.05 3fhq s LEU 572 Ca 0.01 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 3fhq s LEU 572 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3fhq s LEU 572 CO 0.02 -0.56 0.26 2.30 -1.32 0.00 0.00 176.35 177.05 3fhq n ILE 573 N 4.57 0.00 -3.58 6.68 -5.35 -0.00 -4.70 119.36 116.98 3fhq n ILE 573 Ca 0.10 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 3fhq n ILE 573 Cb 0.47 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 39.40 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 -0.34 -0.27 0.01 3.28 0.00 -1.11 -4.99 107.32 103.90 3fhq s GLY 574 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 44.72 46.80 3fhq s GLY 574 CO 0.00 1.14 -0.02 -0.51 0.00 0.00 0.00 173.10 173.71 3fhq s THR 575 N -0.92 0.12 -0.11 0.90 -4.23 -1.26 -0.72 115.64 109.42 3fhq s THR 575 Ca -0.02 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 3fhq s THR 575 Cb -0.01 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 73.68 3fhq s THR 575 CO 0.01 -0.21 0.28 -0.55 -0.54 0.00 0.00 174.62 173.61 3fhq s SER 576 N -0.70 -0.29 0.00 3.99 0.15 -0.48 -4.97 113.70 111.40 3fhq s SER 576 Ca -0.07 0.57 0.16 0.00 0.70 0.00 0.00 55.95 57.31 3fhq s SER 576 Cb -0.05 0.57 0.42 0.00 -1.71 0.00 0.00 66.02 65.25 3fhq s SER 576 CO -0.00 -0.10 1.34 0.00 1.20 0.00 0.00 173.24 175.67 3fhq n ALA 577 N 3.03 2.29 -2.40 5.45 0.00 -1.26 0.63 120.51 128.25 3fhq n ALA 577 Ca -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3fhq n ALA 577 Cb 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 1.02 3.16 0.78 0.00 0.00 -1.26 -4.59 105.19 104.30 3fhq n GLY 578 Ca 0.16 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.39 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 2.92 -3.65 1.61 5.75 -1.26 -4.92 116.55 117.00 3fhq n ASP 579 Ca 0.00 -1.88 -0.08 0.00 -0.01 0.00 0.00 54.79 52.83 3fhq n ASP 579 Cb 0.00 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 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 -1.08 1.86 -0.19 0.11 1.70 -1.26 -0.87 118.95 119.22 3fhq s ARG 580 Ca 0.27 -1.15 -0.17 0.00 -0.47 0.00 0.00 55.73 54.21 3fhq s ARG 580 Cb 0.15 0.59 0.05 0.00 -0.57 0.00 0.00 34.95 35.17 3fhq s ARG 580 CO 0.20 -0.85 0.50 -1.50 -1.08 0.00 0.00 175.30 172.58 3fhq s ILE 581 N -3.55 -0.00 -0.14 4.99 2.07 -0.26 -4.84 121.20 119.47 3fhq s ILE 581 Ca 0.14 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.23 3fhq s ILE 581 Cb -0.05 -0.70 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 3fhq s ILE 581 CO 0.09 0.00 0.34 -0.47 -1.91 0.00 0.00 174.94 172.98 3fhq s TYR 582 N 0.28 3.49 -0.18 3.50 5.04 -1.26 -0.82 117.35 127.40 3fhq s TYR 582 Ca -0.00 0.68 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 3fhq s TYR 582 Cb -0.04 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.92 3fhq s TYR 582 CO 0.01 0.26 -0.18 0.42 -1.34 0.00 0.00 175.55 174.72 3fhq s ILE 583 N 0.36 2.26 0.64 3.14 -1.09 -0.33 -5.01 121.20 121.16 3fhq s ILE 583 Ca 0.19 -0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 3fhq s ILE 583 Cb -0.14 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 3fhq s ILE 583 CO 0.06 0.53 1.06 -1.83 -1.23 0.00 0.00 174.94 173.52 3fhq s GLU 584 N 1.22 3.16 0.00 2.79 -1.05 -1.26 -1.97 118.70 121.58 3fhq s GLU 584 Ca 0.03 1.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.94 3fhq s GLU 584 Cb -0.14 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 3fhq s GLU 584 CO -0.10 -0.93 0.00 0.41 0.95 0.00 0.00 175.26 175.59 3fhq n GLY 585 N -1.43 0.20 0.18 -3.83 0.00 -0.90 -4.84 105.19 94.57 3fhq n GLY 585 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 3fhq n GLY 585 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fhq h LEU 586 N 0.00 0.06 -1.04 0.99 3.38 -1.68 -2.98 115.31 114.04 3fhq h LEU 586 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fhq h LEU 586 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fhq h LEU 586 CO 0.00 0.48 0.00 0.58 0.09 0.00 0.00 178.44 179.59 3fhq h VAL 587 N 0.05 0.00 -3.44 1.22 2.07 -1.74 -3.30 116.25 111.12 3fhq h VAL 587 Ca 0.00 -0.41 -0.72 0.00 0.82 0.00 0.00 66.70 66.39 3fhq h VAL 587 Cb 0.77 1.30 -0.27 0.00 -1.52 0.00 0.00 31.29 31.57 3fhq h VAL 587 CO 0.06 0.00 -0.46 -1.61 0.02 0.00 0.00 177.57 175.58 3fhq s GLU 588 N -3.49 2.64 0.00 1.57 0.41 -1.13 -4.89 118.70 113.82 3fhq s GLU 588 Ca 0.03 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 3fhq s GLU 588 Cb 0.09 -3.81 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 3fhq s GLU 588 CO 0.49 -0.96 0.00 -1.91 -0.49 0.00 0.00 175.26 172.39 3fhq n GLU 589 N 4.94 0.00 0.00 1.61 2.13 -1.25 -4.93 120.64 123.15 3fhq n GLU 589 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3fhq n GLU 589 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 3fhq n GLU 589 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3fhq n VAL 595 N 7.87 0.00 -3.72 6.31 0.31 -1.26 -5.00 118.33 122.85 3fhq n VAL 595 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3fhq n VAL 595 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.09 4.19 0.25 5.55 0.52 -1.26 -4.63 118.95 123.48 3fhq s ARG 596 Ca 0.00 -0.22 0.10 0.00 -0.52 0.00 0.00 55.73 55.09 3fhq s ARG 596 Cb 0.00 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3fhq s ARG 596 CO 0.00 0.29 -0.05 -0.51 0.02 0.00 0.00 175.30 175.05 3fhq s LEU 597 N 0.39 3.06 -0.07 2.53 1.43 -0.29 -1.98 118.68 123.74 3fhq s LEU 597 Ca 0.08 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 3fhq s LEU 597 Cb -0.11 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.52 3fhq s LEU 597 CO -0.02 0.03 0.05 -1.00 0.23 0.00 0.00 176.35 175.64 3fhq s HIS 598 N -2.19 0.30 -0.21 0.29 3.76 0.29 -1.95 115.29 115.57 3fhq s HIS 598 Ca 0.30 -0.00 -0.05 0.00 -0.15 0.00 0.00 55.06 55.15 3fhq s HIS 598 Cb -0.07 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 3fhq s HIS 598 CO 0.18 -0.30 0.00 0.42 -0.85 0.00 0.00 174.74 174.20 3fhq s ILE 599 N 2.09 3.86 0.07 0.60 1.09 -0.64 -0.66 121.20 127.61 3fhq s ILE 599 Ca 0.04 -0.34 0.09 0.00 -1.10 0.00 0.00 60.65 59.35 3fhq s ILE 599 Cb -0.13 -2.76 -0.03 0.00 -1.06 0.00 0.00 42.46 38.48 3fhq s ILE 599 CO -0.05 0.41 -0.24 -1.83 -0.10 0.00 0.00 174.94 173.13 3fhq s GLU 600 N 1.23 1.78 -0.15 2.79 -1.05 -0.81 -0.86 118.70 121.64 3fhq s GLU 600 Ca 0.03 -1.14 -0.09 0.00 -0.15 0.00 0.00 54.97 53.63 3fhq s GLU 600 Cb -0.15 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.48 3fhq s GLU 600 CO 0.01 0.50 0.15 0.00 0.95 0.00 0.00 175.26 176.88 3fhq s ALA 601 N -0.91 3.79 -0.14 -0.84 0.00 -1.26 -1.50 121.76 120.90 3fhq s ALA 601 Ca 0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 3fhq s ALA 601 Cb -0.10 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3fhq s ALA 601 CO 0.04 0.42 -0.04 -0.51 0.00 0.00 0.00 175.76 175.67 3fhq s LEU 602 N -0.44 3.26 1.15 0.00 1.02 -0.39 -0.29 118.68 122.99 3fhq s LEU 602 Ca 0.13 -0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.00 3fhq s LEU 602 Cb -0.12 -1.77 0.26 0.00 0.02 0.00 0.00 46.19 44.58 3fhq s LEU 602 CO 0.02 0.20 1.11 -0.94 0.02 0.00 0.00 176.35 176.76 3fhq s SER 603 N 0.16 1.34 0.54 2.29 1.04 -0.32 0.03 113.70 118.77 3fhq s SER 603 Ca -0.02 0.75 0.23 0.00 0.48 0.00 0.00 55.95 57.39 3fhq s SER 603 Cb -0.14 -1.09 1.41 0.00 0.10 0.00 0.00 66.02 66.30 3fhq s SER 603 CO 0.03 -3.87 2.07 -0.33 0.98 0.00 0.00 173.24 172.11 3fhq h GLU 604 N -2.41 0.00 -0.15 4.02 4.39 -1.86 0.38 114.58 118.95 3fhq h GLU 604 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 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 0.40 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.66 3fhq n THR 605 N -4.32 0.19 -1.53 1.13 -1.04 -1.26 -4.79 114.28 102.66 3fhq n THR 605 Ca 0.04 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 3fhq n THR 605 Cb 0.38 0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 69.19 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 0.26 -0.12 -2.46 -1.42 3.01 0.12 -4.99 117.46 111.87 3fhq n PHE 606 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 3fhq n PHE 606 Cb 0.32 -2.28 -0.03 0.00 -0.01 0.00 0.00 39.48 37.48 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 -2.47 4.25 0.31 -4.37 1.01 -1.26 -4.71 120.40 113.16 3fhq s VAL 607 Ca 0.00 1.57 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 3fhq s VAL 607 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3fhq s VAL 607 CO 0.00 -0.01 0.79 -2.84 0.00 0.00 0.00 175.10 173.04 3fhq s PRO 608 N 2.32 4.20 0.74 2.72 0.02 -1.26 -1.18 135.00 142.55 3fhq s PRO 608 Ca 0.56 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.36 3fhq s PRO 608 Cb -0.24 -2.59 0.04 0.00 0.02 0.00 0.00 34.50 31.73 3fhq s PRO 608 CO 0.21 0.22 1.12 -1.54 -0.33 0.00 0.00 177.00 176.68 3fhq s SER 609 N -1.97 5.13 0.50 2.53 1.04 0.60 -4.73 113.70 116.79 3fhq s SER 609 Ca 0.51 0.98 -0.23 0.00 0.48 0.00 0.00 55.95 57.70 3fhq s SER 609 Cb -0.13 -1.68 -0.06 0.00 0.10 0.00 0.00 66.02 64.24 3fhq s SER 609 CO 0.19 -1.52 1.30 -1.81 0.98 0.00 0.00 173.24 172.37 3fhq s ASP 610 N -4.43 5.71 -0.06 7.02 1.01 -1.26 -4.63 116.67 120.02 3fhq s ASP 610 Ca 0.59 2.62 -0.26 0.00 0.71 0.00 0.00 52.55 56.22 3fhq s ASP 610 Cb -0.11 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 3fhq s ASP 610 CO 0.50 -1.26 0.81 0.00 0.21 0.00 0.00 175.17 175.44 3fhq s ALA 611 N -1.36 3.31 0.24 5.23 0.00 -1.26 -4.22 121.76 123.69 3fhq s ALA 611 Ca 0.67 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3fhq s ALA 611 Cb -0.37 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3fhq s ALA 611 CO 0.45 -0.23 1.23 0.50 0.00 0.00 0.00 175.76 177.71 3fhq s ARG 612 N 1.07 4.46 -0.09 0.00 6.06 -0.04 -4.79 118.95 125.62 3fhq s ARG 612 Ca 0.42 1.99 -0.11 0.00 -2.50 0.00 0.00 55.73 55.53 3fhq s ARG 612 Cb -0.19 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 31.60 3fhq s ARG 612 CO 0.20 -0.10 0.25 1.41 -2.50 0.00 0.00 175.30 174.57 3fhq s MET 613 N -0.80 3.77 -0.08 5.12 -2.45 -1.26 -1.61 119.30 121.99 3fhq s MET 613 Ca 0.51 0.08 0.03 0.00 -1.25 0.00 0.00 55.69 55.06 3fhq s MET 613 Cb -0.35 -3.25 0.01 0.00 1.25 0.00 0.00 34.83 32.48 3fhq s MET 613 CO 0.42 0.63 -0.17 0.42 1.05 0.00 0.00 175.02 177.37 3fhq s ILE 614 N -0.72 1.53 -2.03 10.11 -1.09 -0.82 -5.00 121.20 123.18 3fhq s ILE 614 Ca 0.18 -0.71 0.16 0.00 -2.23 0.00 0.00 60.65 58.05 3fhq s ILE 614 Cb -0.14 -1.36 0.13 0.00 -1.58 0.00 0.00 42.46 39.51 3fhq s ILE 614 CO 0.07 0.44 1.01 -0.67 -1.23 0.00 0.00 174.94 174.56