#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jed s ALA 3 N 0.00 2.50 0.60 3.55 0.00 -1.26 -4.84 121.76 122.30 1jed s ALA 3 Ca 0.00 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1jed s ALA 3 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1jed s ALA 3 CO 0.00 -1.18 1.13 -1.25 0.00 0.00 0.00 175.76 174.46 1jed s PRO 4 N -3.75 3.08 0.05 0.00 0.04 -1.26 -4.75 135.00 128.40 1jed s PRO 4 Ca 0.71 1.56 -0.36 0.00 0.04 0.00 0.00 61.00 62.95 1jed s PRO 4 Cb -0.24 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 1jed s PRO 4 CO 0.37 -1.06 1.50 1.58 0.04 0.00 0.00 177.00 179.42 1jed n HIS 5 N -1.77 1.86 0.00 0.56 -0.00 -1.26 0.13 115.22 114.74 1jed n HIS 5 Ca 0.11 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1jed n HIS 5 Cb 0.51 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1jed n HIS 5 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jed n GLY 6 N 3.13 2.39 0.66 1.57 0.00 -1.26 -2.84 105.19 108.84 1jed n GLY 6 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1jed n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 7 N -2.00 3.25 3.05 -0.02 0.00 0.34 -5.02 105.19 104.79 1jed n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1jed n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jed s ILE 8 N -2.64 1.53 -0.21 -0.61 1.01 -1.25 -4.48 121.20 114.55 1jed s ILE 8 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 1jed s ILE 8 Cb 0.00 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1jed s ILE 8 CO 0.00 0.45 1.43 -0.22 0.00 0.00 0.00 174.94 176.60 1jed s LEU 9 N 1.06 4.03 -0.87 2.97 2.96 -1.26 -4.78 118.68 122.78 1jed s LEU 9 Ca -0.05 1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 55.41 1jed s LEU 9 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1jed s LEU 9 CO -0.03 -1.02 2.89 0.00 -1.32 0.00 0.00 176.35 176.87 1jed n GLN 10 N 7.20 3.25 -2.27 1.98 1.13 -1.26 -4.88 117.38 122.53 1jed n GLN 10 Ca 0.16 -2.35 -0.35 0.00 -1.94 0.00 0.00 57.00 52.52 1jed n GLN 10 Cb 0.45 -2.40 -0.04 0.00 0.11 0.00 0.00 30.24 28.36 1jed n GLN 10 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jed s ASP 11 N 1.12 5.71 0.38 1.08 -1.08 -1.26 -2.35 116.67 120.27 1jed s ASP 11 Ca 0.62 -0.71 0.27 0.00 -0.52 0.00 0.00 52.55 52.21 1jed s ASP 11 Cb 0.27 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 40.12 1jed s ASP 11 CO -0.10 -2.19 1.79 -0.07 0.52 0.00 0.00 175.17 175.13 1jed h LEU 12 N 15.45 0.00 -0.38 -1.34 3.38 -0.69 -1.16 115.31 130.58 1jed h LEU 12 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1jed h LEU 12 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1jed h LEU 12 CO 1.29 0.00 0.00 0.40 0.09 0.00 0.00 178.44 180.22 1jed h ILE 13 N 0.00 1.26 -0.11 1.22 1.08 -1.81 0.11 117.51 119.26 1jed h ILE 13 Ca 0.00 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.44 1jed h ILE 13 Cb 0.61 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1jed h ILE 13 CO 0.00 0.33 -0.12 0.00 -0.69 0.00 0.00 178.15 177.67 1jed h ALA 14 N 0.88 0.16 -0.25 1.87 0.00 -1.81 -2.75 119.26 117.36 1jed h ALA 14 Ca 0.11 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jed h ALA 14 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1jed h ALA 14 CO 0.02 0.02 -0.04 -0.09 0.00 0.00 0.00 179.25 179.15 1jed h ARG 15 N -0.13 0.02 -0.80 0.00 2.43 -1.09 -2.95 114.38 111.86 1jed h ARG 15 Ca 0.02 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1jed h ARG 15 Cb 0.64 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1jed h ARG 15 CO 0.03 0.01 0.11 -0.25 -1.51 0.00 0.00 179.97 178.37 1jed n ASP 16 N -5.20 3.96 -0.14 -3.80 10.43 0.38 -4.64 116.55 117.54 1jed n ASP 16 Ca -0.01 -2.73 -0.04 0.00 2.57 0.00 0.00 54.79 54.58 1jed n ASP 16 Cb 0.14 -0.65 0.04 0.00 1.84 0.00 0.00 41.12 42.49 1jed n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jed h ALA 17 N 2.81 0.40 -0.00 2.24 0.00 -1.30 -1.69 119.26 121.71 1jed h ALA 17 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jed h ALA 17 Cb 1.67 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1jed h ALA 17 CO 0.43 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1jed n LEU 18 N -5.22 0.03 -0.00 0.00 4.77 -1.26 -2.78 117.00 112.54 1jed n LEU 18 Ca 0.04 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1jed n LEU 18 Cb 0.23 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1jed n LEU 18 CO 0.18 0.01 -0.35 0.29 -1.33 0.00 0.00 177.39 176.18 1jed n LYS 19 N -0.67 1.46 -0.31 3.23 5.02 -0.66 -4.74 118.16 121.49 1jed n LYS 19 Ca 0.09 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1jed n LYS 19 Cb 0.05 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1jed n LYS 19 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jed h LYS 20 N 0.00 -0.13 -0.59 1.97 3.64 -1.30 0.43 116.57 120.60 1jed h LYS 20 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1jed h LYS 20 Cb 0.48 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1jed h LYS 20 CO 0.00 -0.09 0.39 -0.91 -2.27 0.00 0.00 179.45 176.57 1jed h ASN 21 N -0.13 0.58 -0.06 4.20 -0.26 -1.85 0.26 115.58 118.31 1jed h ASN 21 Ca 0.17 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.81 1jed h ASN 21 Cb 0.51 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1jed h ASN 21 CO -0.82 0.40 -0.34 -0.33 -1.06 0.00 0.00 177.43 175.27 1jed h GLU 22 N 0.67 0.33 -0.65 0.81 3.07 -1.33 -2.13 114.58 115.35 1jed h GLU 22 Ca 0.24 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1jed h GLU 22 Cb 0.11 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1jed h GLU 22 CO -0.06 0.93 0.23 -0.07 -1.40 0.00 0.00 179.01 178.64 1jed h LEU 23 N -0.18 0.92 -0.21 1.33 3.38 0.06 -1.94 115.31 118.67 1jed h LEU 23 Ca -0.03 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1jed h LEU 23 Cb 1.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1jed h LEU 23 CO 0.07 0.86 0.02 -0.07 0.09 0.00 0.00 178.44 179.42 1jed h LEU 24 N 0.93 -0.03 -0.20 1.67 3.38 -0.50 0.35 115.31 120.90 1jed h LEU 24 Ca 0.21 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1jed h LEU 24 Cb 0.25 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jed h LEU 24 CO -0.01 0.01 0.04 -1.28 0.09 0.00 0.00 178.44 177.29 1jed h SER 25 N 0.10 0.01 -0.29 -0.43 0.87 -1.16 -1.56 113.55 111.09 1jed h SER 25 Ca 0.10 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1jed h SER 25 Cb 0.11 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1jed h SER 25 CO -0.14 0.03 0.09 -0.08 -0.53 0.00 0.00 176.83 176.20 1jed h GLU 26 N 0.12 0.20 -0.21 2.24 4.81 -0.75 -1.07 114.58 119.92 1jed h GLU 26 Ca 0.09 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1jed h GLU 26 Cb 0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jed h GLU 26 CO -0.12 0.13 0.17 0.00 -0.73 0.00 0.00 179.01 178.46 1jed h ALA 27 N 1.19 2.08 -0.53 2.92 0.00 0.00 -1.76 119.26 123.17 1jed h ALA 27 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jed h ALA 27 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jed h ALA 27 CO -0.14 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 179.87 1jed n GLN 28 N -4.27 3.97 -2.74 0.00 6.02 -0.47 -4.92 117.38 114.97 1jed n GLN 28 Ca 0.02 -2.94 -0.33 0.00 -0.01 0.00 0.00 57.00 53.74 1jed n GLN 28 Cb 0.31 -1.99 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 1jed n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jed s SER 29 N -1.08 6.84 0.00 1.08 1.04 -0.66 -4.94 113.70 115.97 1jed s SER 29 Ca 0.49 1.61 0.11 0.00 0.48 0.00 0.00 55.95 58.64 1jed s SER 29 Cb 0.35 -2.51 0.65 0.00 0.10 0.00 0.00 66.02 64.61 1jed s SER 29 CO 0.18 -0.41 1.25 -1.54 0.98 0.00 0.00 173.24 173.70 1jed n SER 30 N -0.87 0.00 -0.00 7.02 3.41 -1.26 -3.61 113.62 118.31 1jed n SER 30 Ca 0.07 -1.21 0.01 0.00 -0.26 0.00 0.00 58.87 57.48 1jed n SER 30 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1jed n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jed n ASP 31 N -0.72 2.96 -4.77 4.04 10.43 -1.26 -5.04 116.55 122.19 1jed n ASP 31 Ca 0.08 -0.19 -0.38 0.00 2.57 0.00 0.00 54.79 56.87 1jed n ASP 31 Cb 0.04 1.08 -0.04 0.00 1.84 0.00 0.00 41.12 44.03 1jed n ASP 31 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1jed s ILE 32 N -1.85 3.62 0.30 0.53 2.07 -1.24 -5.01 121.20 119.62 1jed s ILE 32 Ca -0.00 1.36 -0.29 0.00 -1.41 0.00 0.00 60.65 60.31 1jed s ILE 32 Cb 0.02 -3.76 -0.10 0.00 0.13 0.00 0.00 42.46 38.74 1jed s ILE 32 CO 0.10 0.13 1.21 -0.22 -1.91 0.00 0.00 174.94 174.25 1jed s LEU 33 N -2.26 4.48 -0.03 8.50 2.96 -1.26 -4.88 118.68 126.21 1jed s LEU 33 Ca 0.54 2.48 0.04 0.00 -0.22 0.00 0.00 54.13 56.96 1jed s LEU 33 Cb -0.26 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 1jed s LEU 33 CO 0.32 -0.35 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.18 1jed s VAL 34 N -1.10 1.14 -0.09 1.68 1.01 -1.26 -0.49 120.40 121.28 1jed s VAL 34 Ca 0.47 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1jed s VAL 34 Cb -0.36 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1jed s VAL 34 CO 0.47 0.33 -0.11 0.86 0.00 0.00 0.00 175.10 176.65 1jed s TRP 35 N 0.06 1.57 -0.41 5.22 -0.11 -0.59 -4.97 118.94 119.71 1jed s TRP 35 Ca -0.02 -0.70 -0.22 0.00 1.22 0.00 0.00 56.10 56.38 1jed s TRP 35 Cb -0.10 -1.20 0.02 0.00 -1.50 0.00 0.00 33.47 30.69 1jed s TRP 35 CO 0.01 -0.41 0.73 1.21 -4.62 0.00 0.00 176.95 173.87 1jed s ASN 36 N 1.12 6.43 0.48 5.86 2.47 -1.26 -0.90 114.94 129.14 1jed s ASN 36 Ca -0.06 0.03 -0.22 0.00 0.42 0.00 0.00 52.86 53.03 1jed s ASN 36 Cb -0.14 -2.36 -0.10 0.00 -1.45 0.00 0.00 41.25 37.20 1jed s ASN 36 CO -0.02 -0.78 0.82 0.18 -3.72 0.00 0.00 177.10 173.59 1jed n LEU 37 N 6.43 1.95 -4.95 3.21 4.77 0.28 -4.94 117.00 123.74 1jed n LEU 37 Ca 0.01 0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 56.66 1jed n LEU 37 Cb 0.48 -1.28 0.07 0.00 -2.33 0.00 0.00 43.42 40.37 1jed n LEU 37 CO 0.55 -2.11 0.55 0.42 -1.33 0.00 0.00 177.39 175.47 1jed s THR 38 N -1.43 2.34 0.14 -5.08 -4.23 -1.26 -4.73 115.64 101.39 1jed s THR 38 Ca 0.66 -0.41 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1jed s THR 38 Cb -0.52 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.40 1jed s THR 38 CO 0.55 0.00 1.65 -0.65 -0.54 0.00 0.00 174.62 175.63 1jed h PRO 39 N -0.48 -0.19 -0.18 3.99 0.11 -1.99 0.14 132.00 133.41 1jed h PRO 39 Ca -0.42 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1jed h PRO 39 Cb 1.30 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1jed h PRO 39 CO 0.53 -0.13 -0.26 -0.09 -0.21 0.00 0.00 178.00 177.85 1jed h ARG 40 N -0.20 0.32 -0.24 1.05 2.43 -1.99 -1.72 114.38 114.04 1jed h ARG 40 Ca 0.12 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1jed h ARG 40 Cb 0.37 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1jed h ARG 40 CO -0.30 0.56 -0.26 1.96 -1.51 0.00 0.00 179.97 180.42 1jed h GLN 41 N 0.29 0.45 0.00 0.20 4.20 -1.80 0.11 115.11 118.57 1jed h GLN 41 Ca 0.05 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 1jed h GLN 41 Cb 0.61 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1jed h GLN 41 CO 0.04 0.68 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.43 1jed h LEU 42 N 0.40 0.00 -0.11 1.46 3.38 -0.19 -0.30 115.31 119.96 1jed h LEU 42 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1jed h LEU 42 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jed h LEU 42 CO 0.05 0.39 -0.37 0.00 0.09 0.00 0.00 178.44 178.60 1jed h ASP 44 N 0.01 0.18 -0.14 0.00 3.45 -0.67 -3.13 116.42 116.11 1jed h ASP 44 Ca -0.02 -0.46 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1jed h ASP 44 Cb 1.00 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 1jed h ASP 44 CO 0.08 0.60 0.09 -0.29 -1.57 0.00 0.00 179.24 178.15 1jed h ILE 45 N -0.24 1.03 0.00 0.35 2.10 -1.17 -0.92 117.51 118.66 1jed h ILE 45 Ca 0.01 -0.06 -0.10 0.00 1.08 0.00 0.00 64.86 65.79 1jed h ILE 45 Cb 0.54 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1jed h ILE 45 CO 0.02 0.03 -0.49 -0.08 -1.08 0.00 0.00 178.15 176.55 1jed h GLU 46 N 0.18 0.00 0.00 2.19 4.81 -1.51 -0.48 114.58 119.76 1jed h GLU 46 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1jed h GLU 46 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jed h GLU 46 CO -0.01 0.49 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.51 1jed h LEU 47 N 0.00 0.00 0.00 1.64 -0.00 -1.16 -3.03 115.31 112.75 1jed h LEU 47 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1jed h LEU 47 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1jed h LEU 47 CO 0.06 0.03 -0.19 0.40 -0.00 0.00 0.00 178.44 178.74 1jed h ILE 48 N 0.00 1.06 -0.14 1.22 2.04 -0.88 0.26 117.51 121.07 1jed h ILE 48 Ca -0.00 -1.86 0.04 0.00 1.00 0.00 0.00 64.86 64.04 1jed h ILE 48 Cb 1.03 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1jed h ILE 48 CO 0.00 0.36 0.13 -0.07 0.00 0.00 0.00 178.15 178.58 1jed h LEU 49 N -1.00 0.00 -2.68 1.44 3.38 -1.20 -2.64 115.31 112.62 1jed h LEU 49 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jed h LEU 49 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1jed h LEU 49 CO -0.03 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.04 1jed n ASN 50 N -4.05 3.80 0.00 -0.43 0.23 -1.14 -0.01 115.26 113.66 1jed n ASN 50 Ca 0.01 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1jed n ASN 50 Cb 0.25 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1jed n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jed n GLY 51 N 1.55 0.81 0.22 4.83 0.00 -0.99 -4.27 105.19 107.34 1jed n GLY 51 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1jed n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jed h GLY 52 N 0.00 0.22 -3.61 -0.02 0.00 -1.40 -2.57 103.07 95.69 1jed h GLY 52 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1jed h GLY 52 CO 0.00 0.15 0.08 0.69 0.00 0.00 0.00 176.54 177.46 1jed n PHE 53 N -4.18 2.22 -1.58 5.60 3.72 0.76 -4.51 117.46 119.48 1jed n PHE 53 Ca -0.01 -0.87 -0.44 0.00 -0.05 0.00 0.00 57.45 56.08 1jed n PHE 53 Cb 0.34 -0.57 -0.01 0.00 -0.94 0.00 0.00 39.48 38.30 1jed n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jed n SER 54 N 0.40 1.14 0.00 4.37 7.64 -0.97 -0.50 113.62 125.71 1jed n SER 54 Ca 0.32 1.14 0.14 0.00 1.01 0.00 0.00 58.87 61.48 1jed n SER 54 Cb 1.26 -1.28 0.73 0.00 -1.01 0.00 0.00 64.21 63.91 1jed n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jed n PRO 55 N 0.64 0.46 -1.52 1.43 -0.04 -1.13 -4.46 135.00 130.38 1jed n PRO 55 Ca 0.10 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 1jed n PRO 55 Cb 0.33 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1jed n PRO 55 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jed n LEU 56 N -1.25 1.39 -0.77 1.53 4.32 0.35 -4.93 117.00 117.63 1jed n LEU 56 Ca 0.14 0.87 0.01 0.00 -0.02 0.00 0.00 56.01 57.01 1jed n LEU 56 Cb 0.21 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1jed n LEU 56 CO 0.21 -2.44 0.21 0.35 -1.22 0.00 0.00 177.39 174.49 1jed n THR 57 N -1.14 0.00 -3.26 -5.08 -2.24 -1.26 -4.86 114.28 96.44 1jed n THR 57 Ca 0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jed n THR 57 Cb 0.43 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1jed n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jed n GLY 58 N 0.12 -1.32 3.83 3.38 0.00 -1.26 -0.44 105.19 109.50 1jed n GLY 58 Ca 0.00 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1jed n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jed s PHE 59 N -2.96 3.71 0.26 1.61 0.40 -0.71 -4.94 117.98 115.35 1jed s PHE 59 Ca 0.00 1.17 -0.30 0.00 -0.60 0.00 0.00 56.93 57.20 1jed s PHE 59 Cb 0.00 -2.43 -0.13 0.00 0.51 0.00 0.00 43.02 40.96 1jed s PHE 59 CO 0.00 0.51 1.33 1.28 0.70 0.00 0.00 175.22 179.04 1jed n LEU 60 N 1.27 2.99 -4.96 -0.37 4.77 -0.70 -1.70 117.00 118.29 1jed n LEU 60 Ca -0.08 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.82 1jed n LEU 60 Cb 0.51 -1.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.27 1jed n LEU 60 CO 0.42 -0.62 0.54 0.54 -1.33 0.00 0.00 177.39 176.94 1jed s ASN 61 N 0.08 4.64 0.31 -1.43 6.03 -1.26 -3.89 114.94 119.40 1jed s ASN 61 Ca 0.65 0.01 0.04 0.00 -1.03 0.00 0.00 52.86 52.53 1jed s ASN 61 Cb -0.65 -0.58 0.66 0.00 -3.03 0.00 0.00 41.25 37.65 1jed s ASN 61 CO 0.53 -1.66 1.83 -0.08 -2.03 0.00 0.00 177.10 175.70 1jed h GLU 62 N -0.47 0.85 0.40 3.55 4.81 -1.95 0.32 114.58 122.09 1jed h GLU 62 Ca -0.41 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1jed h GLU 62 Cb 1.29 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1jed h GLU 62 CO 0.49 0.56 -0.19 -0.97 -0.73 0.00 0.00 179.01 178.17 1jed h ASN 63 N 0.87 -0.46 -0.33 1.04 -0.00 -1.99 0.38 115.58 115.10 1jed h ASN 63 Ca 0.50 -0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.71 1jed h ASN 63 Cb 0.63 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.06 1jed h ASN 63 CO -0.27 -0.23 0.05 0.44 -0.00 0.00 0.00 177.43 177.42 1jed h ASP 64 N -0.66 0.52 -0.30 1.15 3.45 -1.84 -2.48 116.42 116.25 1jed h ASP 64 Ca -0.06 -0.26 0.06 0.00 0.43 0.00 0.00 57.03 57.20 1jed h ASP 64 Cb 0.48 -0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.06 1jed h ASP 64 CO 0.09 0.65 -0.03 0.22 -1.57 0.00 0.00 179.24 178.60 1jed h TYR 65 N 0.38 -0.07 -0.42 4.55 3.20 -0.33 -1.28 116.97 123.00 1jed h TYR 65 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1jed h TYR 65 Cb 0.35 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1jed h TYR 65 CO 0.02 -0.08 0.26 1.03 -1.64 0.00 0.00 178.16 177.75 1jed h SER 66 N 0.05 0.44 -0.72 -2.11 0.87 -0.89 -1.66 113.55 109.53 1jed h SER 66 Ca 0.15 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1jed h SER 66 Cb 0.21 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1jed h SER 66 CO -0.27 0.32 0.28 -1.28 -0.53 0.00 0.00 176.83 175.35 1jed h SER 67 N 0.54 1.01 -0.76 6.23 0.87 -1.15 -0.93 113.55 119.36 1jed h SER 67 Ca 0.16 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1jed h SER 67 Cb -0.03 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.63 1jed h SER 67 CO -0.05 0.91 0.38 0.58 -0.53 0.00 0.00 176.83 178.12 1jed h VAL 68 N 1.04 1.24 -0.10 2.23 2.07 0.00 1.31 116.25 124.04 1jed h VAL 68 Ca 0.24 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1jed h VAL 68 Cb 0.22 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1jed h VAL 68 CO -0.02 0.28 -0.10 0.58 0.02 0.00 0.00 177.57 178.33 1jed h VAL 69 N 1.09 1.36 0.00 2.57 2.07 -0.79 -1.06 116.25 121.48 1jed h VAL 69 Ca 0.27 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1jed h VAL 69 Cb 0.09 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1jed h VAL 69 CO -0.04 0.36 -1.28 0.35 0.02 0.00 0.00 177.57 176.99 1jed n THR 70 N -4.64 0.34 0.08 2.57 -2.24 -0.40 -4.53 114.28 105.46 1jed n THR 70 Ca -0.07 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.26 1jed n THR 70 Cb 0.33 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1jed n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jed n ASP 71 N -2.39 0.78 -1.99 3.42 10.43 0.45 -4.99 116.55 122.26 1jed n ASP 71 Ca -0.01 -0.46 -0.20 0.00 2.57 0.00 0.00 54.79 56.69 1jed n ASP 71 Cb 0.53 1.01 -0.05 0.00 1.84 0.00 0.00 41.12 44.46 1jed n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1jed n SER 72 N -1.13 -5.40 -3.94 -2.24 7.64 -0.40 -4.92 113.62 103.23 1jed n SER 72 Ca 0.00 0.25 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 1jed n SER 72 Cb 0.04 -4.64 -0.10 0.00 -1.01 0.00 0.00 64.21 58.50 1jed n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jed s ARG 73 N -4.36 0.57 0.83 1.43 0.52 -1.00 -0.89 118.95 116.05 1jed s ARG 73 Ca 0.00 -0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 1jed s ARG 73 Cb 0.00 0.22 0.09 0.00 0.52 0.00 0.00 34.95 35.78 1jed s ARG 73 CO 0.00 -0.14 1.12 -0.51 0.02 0.00 0.00 175.30 175.80 1jed s LEU 74 N -2.11 2.42 0.31 2.53 1.43 0.19 -1.31 118.68 122.15 1jed s LEU 74 Ca -0.05 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1jed s LEU 74 Cb -0.01 -3.62 0.73 0.00 0.03 0.00 0.00 46.19 43.32 1jed s LEU 74 CO -0.05 -2.08 1.80 0.00 0.23 0.00 0.00 176.35 176.26 1jed h ALA 75 N -1.17 1.69 0.00 4.21 0.00 -1.81 0.19 119.26 122.38 1jed h ALA 75 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jed h ALA 75 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jed h ALA 75 CO 0.62 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1jed n ASP 76 N -4.70 0.00 0.00 0.00 3.85 -1.26 -4.86 116.55 109.58 1jed n ASP 76 Ca 0.22 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.48 1jed n ASP 76 Cb 0.53 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1jed n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jed n GLY 77 N 0.55 0.58 3.70 6.12 0.00 0.68 -5.04 105.19 111.77 1jed n GLY 77 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1jed n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jed s THR 78 N -2.26 2.47 -0.04 2.61 2.01 -1.25 -4.63 115.64 114.55 1jed s THR 78 Ca 0.00 0.12 -0.33 0.00 0.31 0.00 0.00 61.69 61.80 1jed s THR 78 Cb 0.00 -3.08 -0.11 0.00 0.01 0.00 0.00 72.50 69.32 1jed s THR 78 CO 0.00 0.00 1.91 -0.11 -0.69 0.00 0.00 174.62 175.73 1jed n LEU 79 N 5.10 3.71 -3.26 4.42 7.94 -1.26 -0.63 117.00 133.02 1jed n LEU 79 Ca 0.17 0.95 0.03 0.00 -1.11 0.00 0.00 56.01 56.05 1jed n LEU 79 Cb 0.38 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 1jed n LEU 79 CO 0.64 0.04 0.22 0.86 -1.11 0.00 0.00 177.39 178.04 1jed s TRP 80 N 4.13 -1.47 -0.12 1.96 -0.11 -0.07 -4.85 118.94 118.40 1jed s TRP 80 Ca 0.91 1.76 0.17 0.00 1.22 0.00 0.00 56.10 60.17 1jed s TRP 80 Cb -0.60 0.59 -0.17 0.00 -1.50 0.00 0.00 33.47 31.79 1jed s TRP 80 CO 0.48 -0.79 0.68 0.25 -4.62 0.00 0.00 176.95 172.95 1jed n THR 81 N 5.43 1.13 -4.08 5.86 -2.24 -1.25 -2.37 114.28 116.76 1jed n THR 81 Ca -0.04 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.69 1jed n THR 81 Cb 0.51 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 1jed n THR 81 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jed s ILE 82 N -2.90 3.72 0.06 2.28 -1.09 -1.26 -4.86 121.20 117.15 1jed s ILE 82 Ca -0.04 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 57.68 1jed s ILE 82 Cb 0.09 -2.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 1jed s ILE 82 CO 0.82 0.43 1.31 -2.16 -1.23 0.00 0.00 174.94 174.11 1jed s PRO 83 N 1.08 4.36 -0.36 2.79 0.04 -1.26 -5.00 135.00 136.66 1jed s PRO 83 Ca 0.02 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1jed s PRO 83 Cb -0.14 -3.37 0.07 0.00 0.04 0.00 0.00 34.50 31.10 1jed s PRO 83 CO 0.01 -0.39 0.11 0.42 0.04 0.00 0.00 177.00 177.19 1jed s ILE 84 N 1.40 3.34 0.16 0.56 -1.09 -1.26 -5.09 121.20 119.22 1jed s ILE 84 Ca 0.62 -1.58 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1jed s ILE 84 Cb -0.32 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1jed s ILE 84 CO 0.29 -0.36 -0.13 0.42 -1.23 0.00 0.00 174.94 173.92 1jed s THR 85 N 1.25 1.43 -0.55 2.92 -4.23 -1.26 -1.72 115.64 113.48 1jed s THR 85 Ca 0.01 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.38 1jed s THR 85 Cb -0.21 -1.79 0.12 0.00 1.34 0.00 0.00 72.50 71.96 1jed s THR 85 CO -0.01 -0.56 0.55 -0.22 -0.54 0.00 0.00 174.62 173.84 1jed s LEU 86 N -2.92 5.98 -0.26 4.79 2.96 -1.26 -5.00 118.68 122.97 1jed s LEU 86 Ca 0.15 -1.69 -0.20 0.00 -0.22 0.00 0.00 54.13 52.17 1jed s LEU 86 Cb -0.02 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1jed s LEU 86 CO 0.04 -0.92 0.62 1.51 -1.32 0.00 0.00 176.35 176.27 1jed s ASP 87 N 3.60 6.56 0.44 3.68 3.84 -1.26 -0.48 116.67 133.05 1jed s ASP 87 Ca 0.05 0.68 0.03 0.00 -0.00 0.00 0.00 52.55 53.32 1jed s ASP 87 Cb -0.28 -2.33 -0.04 0.00 -1.38 0.00 0.00 42.92 38.89 1jed s ASP 87 CO 0.04 -0.36 0.03 0.68 -0.00 0.00 0.00 175.17 175.56 1jed s VAL 88 N 2.49 1.29 0.49 2.11 -7.23 0.28 -4.24 120.40 115.59 1jed s VAL 88 Ca 0.26 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1jed s VAL 88 Cb -0.15 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1jed s VAL 88 CO 0.09 0.00 0.71 1.51 -0.31 0.00 0.00 175.10 177.10 1jed s ASP 89 N -3.74 5.59 0.25 4.85 3.84 -1.26 -1.69 116.67 124.51 1jed s ASP 89 Ca 0.20 0.14 -0.04 0.00 -0.00 0.00 0.00 52.55 52.86 1jed s ASP 89 Cb 0.05 -1.23 0.42 0.00 -1.38 0.00 0.00 42.92 40.79 1jed s ASP 89 CO 0.10 -0.89 1.81 -0.08 -0.00 0.00 0.00 175.17 176.11 1jed h GLU 90 N 0.26 0.76 0.30 2.11 4.81 -1.96 0.54 114.58 121.41 1jed h GLU 90 Ca -0.44 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1jed h GLU 90 Cb 1.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1jed h GLU 90 CO 0.55 0.50 -0.37 0.00 -0.73 0.00 0.00 179.01 178.96 1jed h ALA 91 N 1.47 -1.01 -0.32 2.92 0.00 -2.00 -0.44 119.26 119.89 1jed h ALA 91 Ca 0.41 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1jed h ALA 91 Cb 0.41 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1jed h ALA 91 CO -0.26 -1.04 0.12 0.35 0.00 0.00 0.00 179.25 178.41 1jed h PHE 92 N -0.69 0.21 -0.80 0.00 3.57 -1.90 -2.64 116.94 114.69 1jed h PHE 92 Ca -0.04 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.67 1jed h PHE 92 Cb 0.61 -0.05 -0.12 0.00 2.79 0.00 0.00 35.95 39.18 1jed h PHE 92 CO -0.25 0.09 0.22 0.00 -2.23 0.00 0.00 178.31 176.14 1jed h ALA 93 N 1.20 1.10 0.00 2.41 0.00 -0.64 -0.14 119.26 123.18 1jed h ALA 93 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jed h ALA 93 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jed h ALA 93 CO -0.14 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 178.83 1jed n ASN 94 N -5.17 0.25 -0.34 0.00 5.03 -0.20 -1.00 115.26 113.85 1jed n ASN 94 Ca 0.17 0.61 0.10 0.00 0.87 0.00 0.00 54.58 56.34 1jed n ASN 94 Cb 0.55 -0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 38.62 1jed n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jed n GLN 95 N -1.84 1.03 -3.36 3.52 6.02 -0.07 -4.95 117.38 117.74 1jed n GLN 95 Ca -0.00 -0.69 -0.38 0.00 -0.01 0.00 0.00 57.00 55.92 1jed n GLN 95 Cb 0.03 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 1jed n GLN 95 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jed s ILE 96 N -2.52 4.84 0.01 5.09 1.01 -0.17 -5.08 121.20 124.38 1jed s ILE 96 Ca 0.15 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1jed s ILE 96 Cb 0.17 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1jed s ILE 96 CO 0.62 0.56 -0.03 -0.75 0.00 0.00 0.00 174.94 175.35 1jed s LYS 97 N -1.11 0.23 0.79 2.79 2.20 -1.26 -5.01 119.74 118.38 1jed s LYS 97 Ca 0.27 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1jed s LYS 97 Cb -0.18 0.00 0.05 0.00 -1.51 0.00 0.00 37.83 36.19 1jed s LYS 97 CO 0.17 -0.01 1.04 -0.35 -0.36 0.00 0.00 175.35 175.83 1jed n PRO 98 N 2.18 0.23 0.00 4.03 -0.04 -1.26 -1.36 135.00 138.77 1jed n PRO 98 Ca -0.19 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1jed n PRO 98 Cb 0.57 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1jed n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jed n ASP 99 N -2.53 0.00 -4.74 3.54 10.43 -0.53 -5.00 116.55 117.72 1jed n ASP 99 Ca 0.13 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.13 1jed n ASP 99 Cb 0.50 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.53 1jed n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1jed s THR 100 N -1.66 2.41 -0.15 -3.53 2.01 -0.46 -4.75 115.64 109.50 1jed s THR 100 Ca 0.00 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1jed s THR 100 Cb 0.00 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1jed s THR 100 CO 0.00 -0.08 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.51 1jed s ARG 101 N -3.62 3.03 -0.06 4.92 0.52 -1.26 -1.00 118.95 121.48 1jed s ARG 101 Ca 0.77 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1jed s ARG 101 Cb -0.31 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 1jed s ARG 101 CO 0.40 -0.06 -0.11 0.42 0.02 0.00 0.00 175.30 175.97 1jed s ILE 102 N 0.93 3.33 -0.27 1.52 1.01 0.56 -4.01 121.20 124.28 1jed s ILE 102 Ca -0.04 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1jed s ILE 102 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1jed s ILE 102 CO -0.04 0.59 0.46 0.00 0.00 0.00 0.00 174.94 175.94 1jed s ALA 103 N -0.68 3.58 -0.34 9.38 0.00 0.35 -0.17 121.76 133.89 1jed s ALA 103 Ca 0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 1jed s ALA 103 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1jed s ALA 103 CO 0.01 -0.71 0.33 -0.51 0.00 0.00 0.00 175.76 174.88 1jed s LEU 104 N 2.21 4.42 0.36 0.00 1.43 0.05 -1.55 118.68 125.61 1jed s LEU 104 Ca 0.19 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1jed s LEU 104 Cb -0.16 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1jed s LEU 104 CO 0.09 -0.30 0.39 -0.36 0.23 0.00 0.00 176.35 176.40 1jed s PHE 105 N 1.95 2.90 -0.11 0.29 0.40 -0.08 -0.55 117.98 122.78 1jed s PHE 105 Ca 0.11 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1jed s PHE 105 Cb -0.17 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.38 1jed s PHE 105 CO 0.11 -0.01 -0.13 -1.14 0.70 0.00 0.00 175.22 174.75 1jed s GLN 106 N -4.11 2.03 -1.75 0.44 0.74 0.11 -0.56 119.66 116.55 1jed s GLN 106 Ca 0.45 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1jed s GLN 106 Cb -0.07 -1.78 0.00 0.00 1.10 0.00 0.00 33.01 32.26 1jed s GLN 106 CO 0.29 -0.10 0.00 -0.25 -0.55 0.00 0.00 175.29 174.68 1jed n ASP 107 N 4.33 -5.22 -1.59 6.67 10.43 -1.26 -1.60 116.55 128.32 1jed n ASP 107 Ca -0.18 0.24 -0.16 0.00 2.57 0.00 0.00 54.79 57.26 1jed n ASP 107 Cb 0.51 -4.30 -0.06 0.00 1.84 0.00 0.00 41.12 39.11 1jed n ASP 107 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1jed n ASP 108 N -1.16 -4.36 0.00 -2.24 9.92 -1.26 -4.67 116.55 112.78 1jed n ASP 108 Ca -0.20 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1jed n ASP 108 Cb 0.62 -3.92 0.00 0.00 -0.64 0.00 0.00 41.12 37.18 1jed n ASP 108 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jed n GLU 109 N -2.18 0.19 -3.54 -1.24 2.13 -0.80 -5.06 120.64 110.14 1jed n GLU 109 Ca -0.17 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.27 1jed n GLU 109 Cb 0.55 -0.59 -0.11 0.00 0.27 0.00 0.00 31.44 31.56 1jed n GLU 109 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jed s ILE 110 N -1.18 5.28 -0.30 6.31 1.01 -0.62 -4.92 121.20 126.77 1jed s ILE 110 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1jed s ILE 110 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1jed s ILE 110 CO 0.00 0.22 1.26 -2.16 0.00 0.00 0.00 174.94 174.26 1jed s PRO 111 N 1.83 3.96 -0.17 2.79 0.04 -1.26 -0.71 135.00 141.47 1jed s PRO 111 Ca 0.09 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1jed s PRO 111 Cb -0.16 -3.85 -0.15 0.00 0.04 0.00 0.00 34.50 30.39 1jed s PRO 111 CO 0.11 -1.06 0.19 0.82 0.04 0.00 0.00 177.00 177.10 1jed h ILE 112 N 5.89 0.76 -2.93 0.56 1.08 -1.10 -3.39 117.51 118.39 1jed h ILE 112 Ca -0.25 -1.83 0.06 0.00 -0.39 0.00 0.00 64.86 62.45 1jed h ILE 112 Cb 1.09 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 36.50 1jed h ILE 112 CO 1.03 0.26 0.27 0.00 -0.69 0.00 0.00 178.15 179.02 1jed s ALA 113 N -2.44 -1.17 -0.22 1.87 0.00 -1.12 -1.36 121.76 117.32 1jed s ALA 113 Ca -0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 1jed s ALA 113 Cb 0.03 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1jed s ALA 113 CO 0.47 -1.03 -0.09 0.42 0.00 0.00 0.00 175.76 175.53 1jed s ILE 114 N -3.48 2.86 -0.11 0.00 -1.09 -0.46 -0.77 121.20 118.15 1jed s ILE 114 Ca 0.12 -0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 1jed s ILE 114 Cb -0.05 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 1jed s ILE 114 CO 0.07 0.36 0.49 -0.22 -1.23 0.00 0.00 174.94 174.42 1jed s LEU 115 N 1.37 4.28 -0.44 2.97 1.98 0.76 -1.97 118.68 127.63 1jed s LEU 115 Ca 0.03 0.84 -0.11 0.00 -2.89 0.00 0.00 54.13 52.01 1jed s LEU 115 Cb -0.15 -2.72 0.09 0.00 0.66 0.00 0.00 46.19 44.07 1jed s LEU 115 CO -0.06 -0.01 0.31 -0.89 -1.89 0.00 0.00 176.35 173.82 1jed s THR 116 N 0.63 4.47 0.18 3.68 2.01 0.23 -0.33 115.64 126.51 1jed s THR 116 Ca 0.27 -1.41 -0.33 0.00 0.31 0.00 0.00 61.69 60.52 1jed s THR 116 Cb -0.15 -3.76 -0.14 0.00 0.01 0.00 0.00 72.50 68.46 1jed s THR 116 CO 0.11 -0.59 1.56 0.52 -0.69 0.00 0.00 174.62 175.53 1jed n VAL 117 N 4.99 0.18 -0.06 3.82 0.31 -0.17 -2.10 118.33 125.29 1jed n VAL 117 Ca -0.10 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.10 1jed n VAL 117 Cb 0.42 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 1jed n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jed n GLN 118 N 3.18 0.82 -3.74 5.55 6.02 0.02 -1.45 117.38 127.78 1jed n GLN 118 Ca 0.16 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.14 1jed n GLN 118 Cb 0.30 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 1jed n GLN 118 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jed s ASP 119 N -5.05 -0.28 -0.22 1.08 3.84 -1.16 -4.73 116.67 110.14 1jed s ASP 119 Ca -0.15 -0.42 -0.04 0.00 -0.00 0.00 0.00 52.55 51.95 1jed s ASP 119 Cb 0.04 0.61 0.08 0.00 -1.38 0.00 0.00 42.92 42.26 1jed s ASP 119 CO 0.34 -1.10 0.09 -0.69 -0.00 0.00 0.00 175.17 173.81 1jed s VAL 120 N -3.63 0.14 0.27 2.11 1.01 -1.26 -1.79 120.40 117.25 1jed s VAL 120 Ca 0.10 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1jed s VAL 120 Cb -0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1jed s VAL 120 CO 0.02 -0.44 -0.16 -0.72 0.00 0.00 0.00 175.10 173.80 1jed s TYR 121 N 2.02 2.15 -0.61 5.22 -0.85 -0.66 -4.97 117.35 119.66 1jed s TYR 121 Ca 0.04 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.12 1jed s TYR 121 Cb -0.16 -1.01 0.16 0.00 0.38 0.00 0.00 41.96 41.32 1jed s TYR 121 CO -0.19 0.59 0.43 0.21 -1.52 0.00 0.00 175.55 175.07 1jed s LYS 122 N -3.57 2.55 0.78 -3.49 2.20 -1.26 -0.39 119.74 116.56 1jed s LYS 122 Ca 0.29 -2.44 -0.15 0.00 -0.36 0.00 0.00 55.97 53.31 1jed s LYS 122 Cb -0.02 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1jed s LYS 122 CO 0.13 -1.17 0.75 -0.35 -0.36 0.00 0.00 175.35 174.35 1jed n PRO 123 N 3.66 0.21 -3.06 4.03 -0.04 -1.25 -4.92 135.00 133.63 1jed n PRO 123 Ca 0.07 0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 63.21 1jed n PRO 123 Cb 0.39 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1jed n PRO 123 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jed s ASN 124 N -1.74 6.40 0.54 3.54 3.04 -1.26 -4.89 114.94 120.56 1jed s ASN 124 Ca 0.67 -1.75 0.27 0.00 0.04 0.00 0.00 52.86 52.09 1jed s ASN 124 Cb -0.31 -2.33 1.42 0.00 -1.54 0.00 0.00 41.25 38.49 1jed s ASN 124 CO 0.56 -1.06 1.98 0.11 -3.04 0.00 0.00 177.10 175.65 1jed h LYS 125 N 8.92 0.00 -0.36 0.43 1.57 -1.97 -1.47 116.57 123.69 1jed h LYS 125 Ca -0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1jed h LYS 125 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1jed h LYS 125 CO 1.06 0.00 0.10 1.15 -0.57 0.00 0.00 179.45 181.19 1jed h THR 126 N 0.00 1.22 -0.05 -0.16 2.02 -1.99 0.90 112.91 114.85 1jed h THR 126 Ca 0.27 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1jed h THR 126 Cb 1.11 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1jed h THR 126 CO -0.00 0.25 0.02 0.40 0.37 0.00 0.00 175.52 176.56 1jed h ILE 127 N 0.43 1.13 -0.85 3.11 2.04 -1.70 0.41 117.51 122.09 1jed h ILE 127 Ca 0.11 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1jed h ILE 127 Cb 0.29 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1jed h ILE 127 CO -0.00 0.11 0.52 -0.08 0.00 0.00 0.00 178.15 178.70 1jed h GLU 128 N -0.07 0.92 0.31 2.37 4.81 -1.40 0.57 114.58 122.09 1jed h GLU 128 Ca 0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1jed h GLU 128 Cb 0.16 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jed h GLU 128 CO -0.00 0.61 -0.15 0.00 -0.73 0.00 0.00 179.01 178.74 1jed h ALA 129 N 1.41 -0.42 0.61 2.92 0.00 -0.45 -1.34 119.26 121.99 1jed h ALA 129 Ca 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jed h ALA 129 Cb 0.18 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jed h ALA 129 CO -0.18 -0.72 -0.29 0.93 0.00 0.00 0.00 179.25 178.99 1jed h GLU 130 N -0.46 -0.79 -0.57 0.00 5.08 -0.34 0.23 114.58 117.74 1jed h GLU 130 Ca -0.04 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1jed h GLU 130 Cb 0.35 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1jed h GLU 130 CO 0.07 -0.48 0.11 0.87 -1.00 0.00 0.00 179.01 178.59 1jed h LYS 131 N -1.09 0.92 0.10 2.33 1.79 0.06 -1.61 116.57 119.07 1jed h LYS 131 Ca -0.08 -0.24 -0.37 0.00 -2.18 0.00 0.00 60.65 57.78 1jed h LYS 131 Cb 0.67 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1jed h LYS 131 CO 0.14 0.87 -2.06 0.28 -1.08 0.00 0.00 179.45 177.60 1jed n VAL 132 N -4.36 1.73 0.11 0.50 0.31 -0.51 -4.55 118.33 111.56 1jed n VAL 132 Ca 0.02 -0.63 0.07 0.00 -0.01 0.00 0.00 64.34 63.79 1jed n VAL 132 Cb 0.25 -1.69 0.13 0.00 -0.91 0.00 0.00 33.84 31.62 1jed n VAL 132 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jed n PHE 133 N -3.47 0.33 -1.11 3.52 3.72 -0.87 -4.92 117.46 114.66 1jed n PHE 133 Ca -0.34 -0.29 -0.04 0.00 -0.05 0.00 0.00 57.45 56.73 1jed n PHE 133 Cb 1.03 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.54 1jed n PHE 133 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jed n ARG 134 N 0.74 -0.35 -0.15 -1.08 1.74 -0.61 -4.46 116.66 112.49 1jed n ARG 134 Ca 0.12 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1jed n ARG 134 Cb 0.41 -4.18 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 1jed n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jed n GLY 135 N -2.36 0.23 3.65 -0.13 0.00 0.72 -4.85 105.19 102.45 1jed n GLY 135 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1jed n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jed s ASP 136 N -2.16 6.66 0.60 1.61 3.68 -1.26 -4.85 116.67 120.95 1jed s ASP 136 Ca 0.00 1.73 0.29 0.00 2.13 0.00 0.00 52.55 56.70 1jed s ASP 136 Cb 0.00 -2.54 1.49 0.00 -1.45 0.00 0.00 42.92 40.43 1jed s ASP 136 CO 0.00 -1.00 1.90 1.55 0.13 0.00 0.00 175.17 177.75 1jed h PRO 137 N 9.48 0.00 0.00 4.34 0.13 -1.98 0.12 132.00 144.09 1jed h PRO 137 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1jed h PRO 137 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1jed h PRO 137 CO 0.99 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.69 1jed h GLU 138 N 0.00 0.00 -6.48 0.86 5.08 -1.98 -3.35 114.58 108.71 1jed h GLU 138 Ca 0.18 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.95 1jed h GLU 138 Cb 1.08 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.39 1jed h GLU 138 CO -0.00 0.00 0.85 1.58 -1.00 0.00 0.00 179.01 180.44 1jed n HIS 139 N -2.37 2.30 -0.29 4.33 -0.00 0.40 -4.82 115.22 114.77 1jed n HIS 139 Ca 0.05 0.21 0.12 0.00 0.46 0.00 0.00 57.72 58.57 1jed n HIS 139 Cb 0.44 -2.57 0.28 0.00 -0.12 0.00 0.00 29.99 28.02 1jed n HIS 139 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jed h PRO 140 N 6.47 0.30 -0.11 1.57 0.11 -1.88 -0.68 132.00 137.78 1jed h PRO 140 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1jed h PRO 140 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jed h PRO 140 CO 0.90 0.20 -0.53 0.00 -0.21 0.00 0.00 178.00 178.37 1jed h ALA 141 N 1.72 0.90 -0.12 -0.75 0.00 -1.89 -2.22 119.26 116.89 1jed h ALA 141 Ca 0.53 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1jed h ALA 141 Cb 1.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1jed h ALA 141 CO -0.57 0.68 -0.50 0.82 0.00 0.00 0.00 179.25 179.68 1jed h ILE 142 N 0.25 1.35 -0.51 0.00 2.04 -1.53 0.03 117.51 119.14 1jed h ILE 142 Ca 0.01 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 1jed h ILE 142 Cb 1.01 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 1jed h ILE 142 CO 0.09 0.54 0.31 -1.28 0.00 0.00 0.00 178.15 177.81 1jed h SER 143 N 0.17 0.61 -0.07 1.72 0.87 -1.17 -1.23 113.55 114.45 1jed h SER 143 Ca -0.03 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1jed h SER 143 Cb 1.13 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1jed h SER 143 CO 0.10 0.48 0.04 0.22 -0.53 0.00 0.00 176.83 177.14 1jed h TYR 144 N 0.68 0.10 -0.68 2.24 3.20 -1.40 0.27 116.97 121.39 1jed h TYR 144 Ca 0.18 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.20 1jed h TYR 144 Cb -0.02 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.10 1jed h TYR 144 CO -0.03 0.16 0.01 1.25 -1.64 0.00 0.00 178.16 177.92 1jed h LEU 145 N 0.01 -0.28 0.00 2.82 5.85 -0.47 0.28 115.31 123.52 1jed h LEU 145 Ca 0.03 0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.68 1jed h LEU 145 Cb 0.09 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1jed h LEU 145 CO -0.00 -0.13 -1.51 -0.26 -0.34 0.00 0.00 178.44 176.20 1jed h PHE 146 N 0.12 0.00 0.00 1.25 -1.00 -1.09 -3.31 116.94 112.91 1jed h PHE 146 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 1jed h PHE 146 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 1jed h PHE 146 CO -0.38 0.84 -1.81 0.09 -1.61 0.00 0.00 178.31 175.44 1jed n ASN 147 N -3.02 0.16 0.00 2.17 5.03 0.93 -4.76 115.26 115.76 1jed n ASN 147 Ca -0.12 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1jed n ASN 147 Cb 0.96 1.74 0.00 0.00 -1.02 0.00 0.00 39.78 41.46 1jed n ASN 147 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1jed n VAL 148 N -2.26 0.00 -1.74 2.41 0.31 0.80 -5.02 118.33 112.84 1jed n VAL 148 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.90 1jed n VAL 148 Cb 0.55 -0.82 0.02 0.00 -0.91 0.00 0.00 33.84 32.69 1jed n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jed n ALA 149 N -2.60 1.66 -1.22 3.52 0.00 -0.20 -4.99 120.51 116.70 1jed n ALA 149 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 1jed n ALA 149 Cb 0.43 -2.34 0.11 0.00 0.00 0.00 0.00 19.45 17.65 1jed n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jed s GLY 150 N -0.61 1.66 0.00 0.00 0.00 -1.26 -4.84 107.32 102.27 1jed s GLY 150 Ca 0.64 0.19 0.26 0.00 0.00 0.00 0.00 44.72 45.81 1jed s GLY 150 CO 0.55 0.58 1.54 1.22 0.00 0.00 0.00 173.10 177.00 1jed n ASP 151 N -3.66 0.75 -4.15 1.64 10.43 -1.04 -4.64 116.55 115.88 1jed n ASP 151 Ca 0.09 -0.58 -0.29 0.00 2.57 0.00 0.00 54.79 56.57 1jed n ASP 151 Cb 0.54 0.15 -0.17 0.00 1.84 0.00 0.00 41.12 43.47 1jed n ASP 151 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1jed s TYR 152 N -2.71 2.18 -0.13 1.24 1.51 -0.68 -3.97 117.35 114.80 1jed s TYR 152 Ca 0.19 -0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 55.30 1jed s TYR 152 Cb 0.19 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1jed s TYR 152 CO 0.59 -0.37 0.13 0.71 -1.11 0.00 0.00 175.55 175.49 1jed s TYR 153 N 0.45 3.53 -0.32 2.71 4.12 0.47 0.10 117.35 128.41 1jed s TYR 153 Ca -0.17 0.46 -0.01 0.00 0.02 0.00 0.00 57.07 57.37 1jed s TYR 153 Cb -0.17 -1.98 0.07 0.00 -1.52 0.00 0.00 41.96 38.36 1jed s TYR 153 CO 0.07 0.62 0.03 0.08 0.02 0.00 0.00 175.55 176.38 1jed s VAL 154 N -0.72 2.85 0.40 0.71 1.01 0.36 -1.65 120.40 123.36 1jed s VAL 154 Ca 0.13 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 1jed s VAL 154 Cb -0.12 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 1jed s VAL 154 CO 0.03 -0.28 0.81 -0.83 0.00 0.00 0.00 175.10 174.82 1jed s GLY 155 N 1.31 2.10 0.00 4.51 0.00 -0.74 -4.23 107.32 110.26 1jed s GLY 155 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1jed s GLY 155 CO -0.03 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.85 1jed n GLY 156 N -1.05 2.60 3.84 0.20 0.00 -0.69 -0.80 105.19 109.29 1jed n GLY 156 Ca 0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1jed n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jed s SER 157 N 0.00 6.71 0.17 1.61 1.04 -0.89 -1.73 113.70 120.61 1jed s SER 157 Ca 0.00 1.48 0.08 0.00 0.48 0.00 0.00 55.95 57.99 1jed s SER 157 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1jed s SER 157 CO 0.00 -0.43 -0.03 -0.76 0.98 0.00 0.00 173.24 172.99 1jed s LEU 158 N -3.63 3.21 -0.11 2.42 1.02 0.41 -0.60 118.68 121.40 1jed s LEU 158 Ca 0.58 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1jed s LEU 158 Cb -0.10 -1.88 0.04 0.00 0.02 0.00 0.00 46.19 44.27 1jed s LEU 158 CO 0.24 0.10 -0.01 -1.61 0.02 0.00 0.00 176.35 175.10 1jed s GLU 159 N -2.84 0.81 0.23 1.70 2.02 -0.83 -4.91 118.70 114.88 1jed s GLU 159 Ca 0.26 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 1jed s GLU 159 Cb -0.09 -1.41 -0.09 0.00 0.10 0.00 0.00 34.13 32.64 1jed s GLU 159 CO 0.17 -0.39 1.12 0.00 0.02 0.00 0.00 175.26 176.18 1jed s ALA 160 N 1.88 3.40 -0.10 5.21 0.00 -1.26 -1.35 121.76 129.55 1jed s ALA 160 Ca 0.03 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 1jed s ALA 160 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1jed s ALA 160 CO -0.07 -0.21 -0.12 -0.89 0.00 0.00 0.00 175.76 174.47 1jed n ILE 161 N 1.80 0.53 -3.54 0.00 5.41 -0.46 -4.69 119.36 118.41 1jed n ILE 161 Ca 0.01 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.53 1jed n ILE 161 Cb 0.45 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 1jed n ILE 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jed s GLN 162 N -2.18 0.69 0.60 0.38 -2.07 -1.03 -4.94 119.66 111.11 1jed s GLN 162 Ca -0.13 -0.12 -0.13 0.00 -1.82 0.00 0.00 55.36 53.15 1jed s GLN 162 Cb 0.05 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1jed s GLN 162 CO 0.17 -0.28 1.03 -0.51 -1.32 0.00 0.00 175.29 174.38 1jed s LEU 163 N -1.97 3.36 0.41 2.60 1.43 -1.26 -4.68 118.68 118.57 1jed s LEU 163 Ca 0.03 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.44 1jed s LEU 163 Cb -0.01 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 1jed s LEU 163 CO -0.05 -0.94 1.03 -2.65 0.23 0.00 0.00 176.35 173.97 1jed n PRO 164 N -2.38 1.40 -2.51 1.29 -0.02 -1.26 -4.92 135.00 126.60 1jed n PRO 164 Ca 0.07 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1jed n PRO 164 Cb 0.54 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1jed n PRO 164 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1jed s GLN 165 N -1.99 4.61 -0.08 -0.52 2.00 -1.26 -5.06 119.66 117.36 1jed s GLN 165 Ca 0.63 1.75 -0.04 0.00 -2.00 0.00 0.00 55.36 55.70 1jed s GLN 165 Cb -0.56 -3.13 0.05 0.00 0.80 0.00 0.00 33.01 30.16 1jed s GLN 165 CO 0.57 0.20 0.18 -1.01 -0.50 0.00 0.00 175.29 174.73 1jed s HIS 166 N -1.22 -0.22 -2.20 1.67 3.76 -1.26 -5.04 115.29 110.78 1jed s HIS 166 Ca 0.46 0.63 0.21 0.00 -0.15 0.00 0.00 55.06 56.20 1jed s HIS 166 Cb -0.30 -0.12 0.07 0.00 1.11 0.00 0.00 32.58 33.34 1jed s HIS 166 CO 0.39 -0.23 1.08 0.66 -0.85 0.00 0.00 174.74 175.78 1jed n TYR 167 N 4.70 0.00 -4.44 1.40 4.01 -1.26 -4.75 117.16 116.82 1jed n TYR 167 Ca -0.17 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.25 1jed n TYR 167 Cb 0.51 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 1jed n TYR 167 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1jed s ASP 168 N -2.05 4.62 -1.55 7.72 -4.77 -1.26 -4.63 116.67 114.75 1jed s ASP 168 Ca 0.20 -0.16 -0.12 0.00 -3.30 0.00 0.00 52.55 49.18 1jed s ASP 168 Cb 0.17 -1.07 0.09 0.00 -1.09 0.00 0.00 42.92 41.02 1jed s ASP 168 CO 0.40 0.28 0.80 -1.22 0.70 0.00 0.00 175.17 176.13 1jed n TYR 169 N 1.49 -1.97 -0.33 2.11 4.01 -1.26 -4.87 117.16 116.35 1jed n TYR 169 Ca -0.15 0.84 0.27 0.00 -0.16 0.00 0.00 57.90 58.69 1jed n TYR 169 Cb 0.52 -3.64 0.51 0.00 -0.31 0.00 0.00 39.34 36.42 1jed n TYR 169 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jed h PRO 170 N -1.83 0.11 -0.01 -0.72 0.11 -1.85 -1.66 132.00 126.14 1jed h PRO 170 Ca -0.60 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1jed h PRO 170 Cb 1.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1jed h PRO 170 CO 0.69 0.07 -0.77 0.41 -0.21 0.00 0.00 178.00 178.19 1jed n GLY 171 N -1.30 -0.55 0.11 -0.55 0.00 -1.26 -4.45 105.19 97.19 1jed n GLY 171 Ca 0.34 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1jed n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jed h LEU 172 N 1.00 0.00 -5.55 0.99 3.38 -1.67 -3.39 115.31 110.08 1jed h LEU 172 Ca 0.00 -0.07 -0.72 0.00 0.09 0.00 0.00 57.88 57.18 1jed h LEU 172 Cb 0.60 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1jed h LEU 172 CO 0.00 0.04 2.94 -1.14 0.09 0.00 0.00 178.44 180.36 1jed n ARG 173 N -2.36 4.02 -1.70 1.13 0.63 -1.23 -0.96 116.66 116.20 1jed n ARG 173 Ca 0.04 -2.96 -0.42 0.00 -0.92 0.00 0.00 57.85 53.59 1jed n ARG 173 Cb 0.46 -2.78 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1jed n ARG 173 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1jed n LYS 174 N 3.00 2.04 -2.83 -0.14 4.76 -1.26 -4.93 118.16 118.80 1jed n LYS 174 Ca 0.65 0.72 -0.25 0.00 -2.87 0.00 0.00 58.31 56.56 1jed n LYS 174 Cb 0.27 -2.35 0.01 0.00 -1.84 0.00 0.00 35.03 31.11 1jed n LYS 174 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jed s THR 175 N -1.15 4.17 0.22 -0.18 -4.23 -1.26 -4.79 115.64 108.42 1jed s THR 175 Ca 0.58 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 1jed s THR 175 Cb -0.54 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 69.94 1jed s THR 175 CO 0.60 -0.47 1.66 -0.65 -0.54 0.00 0.00 174.62 175.23 1jed h PRO 176 N 0.27 0.13 -0.05 3.99 0.11 -1.88 0.17 132.00 134.74 1jed h PRO 176 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jed h PRO 176 Cb 1.24 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jed h PRO 176 CO 0.59 0.09 0.03 0.00 -0.21 0.00 0.00 178.00 178.50 1jed h ALA 177 N 1.57 0.07 -0.01 -0.75 0.00 -1.88 -0.53 119.26 117.73 1jed h ALA 177 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1jed h ALA 177 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1jed h ALA 177 CO -0.53 -0.38 -0.16 1.96 0.00 0.00 0.00 179.25 180.14 1jed h GLN 178 N -0.02 -0.25 -0.23 0.00 4.20 -1.65 -0.48 115.11 116.68 1jed h GLN 178 Ca 0.02 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1jed h GLN 178 Cb 0.10 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1jed h GLN 178 CO -0.00 -0.16 -0.00 1.25 -0.67 0.00 0.00 178.83 179.24 1jed h LEU 179 N -0.26 -0.10 -1.20 1.46 6.46 -0.61 0.14 115.31 121.21 1jed h LEU 179 Ca 0.06 0.05 0.18 0.00 -0.12 0.00 0.00 57.88 58.05 1jed h LEU 179 Cb 0.33 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 1jed h LEU 179 CO -0.16 -0.02 0.61 0.03 -0.62 0.00 0.00 178.44 178.28 1jed h ARG 180 N 0.07 0.65 -0.11 1.25 3.08 -0.71 0.26 114.38 118.87 1jed h ARG 180 Ca 0.11 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1jed h ARG 180 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1jed h ARG 180 CO -0.19 0.43 -0.53 1.25 -1.07 0.00 0.00 179.97 179.86 1jed h LEU 181 N 0.67 0.33 0.22 3.04 6.46 0.68 -2.25 115.31 124.46 1jed h LEU 181 Ca 0.52 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1jed h LEU 181 Cb 0.92 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1jed h LEU 181 CO -0.28 0.81 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.91 1jed h GLU 182 N 0.24 -0.28 -0.99 1.25 4.39 0.20 -0.95 114.58 118.43 1jed h GLU 182 Ca 0.00 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1jed h GLU 182 Cb 1.02 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.66 1jed h GLU 182 CO 0.09 0.02 0.64 0.74 -1.16 0.00 0.00 179.01 179.33 1jed h PHE 183 N -0.58 1.17 0.09 4.33 0.04 -1.00 -2.82 116.94 118.16 1jed h PHE 183 Ca -0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jed h PHE 183 Cb 0.43 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1jed h PHE 183 CO 0.02 0.59 -0.04 0.37 -0.60 0.00 0.00 178.31 178.64 1jed h GLN 184 N 1.13 -0.11 0.00 1.51 4.15 -1.29 0.34 115.11 120.83 1jed h GLN 184 Ca 0.44 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.87 1jed h GLN 184 Cb 0.22 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1jed h GLN 184 CO -0.19 0.13 0.15 0.66 -1.93 0.00 0.00 178.83 177.65 1jed h SER 185 N -0.35 0.00 -0.01 -0.69 4.64 -0.93 0.57 113.55 116.78 1jed h SER 185 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jed h SER 185 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1jed h SER 185 CO 0.02 0.00 -0.38 0.54 -0.87 0.00 0.00 176.83 176.13 1jed n ARG 186 N -2.97 1.46 -2.66 4.77 1.74 -0.99 -4.97 116.66 113.04 1jed n ARG 186 Ca -0.03 -0.98 -0.14 0.00 -0.77 0.00 0.00 57.85 55.94 1jed n ARG 186 Cb 0.21 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1jed n ARG 186 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jed n GLN 187 N 0.02 -2.76 -2.92 5.56 6.02 0.20 -4.97 117.38 118.53 1jed n GLN 187 Ca 0.08 0.57 -0.43 0.00 -0.01 0.00 0.00 57.00 57.21 1jed n GLN 187 Cb 0.42 -4.70 -0.05 0.00 1.02 0.00 0.00 30.24 26.93 1jed n GLN 187 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jed s TRP 188 N -2.89 2.93 -1.65 1.08 0.52 0.10 -4.86 118.94 114.18 1jed s TRP 188 Ca 0.16 0.07 0.17 0.00 0.02 0.00 0.00 56.10 56.52 1jed s TRP 188 Cb -0.07 -3.82 0.42 0.00 -1.15 0.00 0.00 33.47 28.85 1jed s TRP 188 CO 0.20 -1.12 1.34 -0.40 0.02 0.00 0.00 176.95 176.99 1jed n ASP 189 N 6.96 3.27 -3.48 2.95 3.85 -1.26 -4.53 116.55 124.31 1jed n ASP 189 Ca 0.02 -1.95 -0.12 0.00 -0.71 0.00 0.00 54.79 52.03 1jed n ASP 189 Cb 0.48 -0.29 -0.10 0.00 -1.35 0.00 0.00 41.12 39.85 1jed n ASP 189 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1jed s ARG 190 N -1.10 0.27 -0.06 0.11 0.52 -1.26 -4.95 118.95 112.47 1jed s ARG 190 Ca 0.34 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1jed s ARG 190 Cb 0.18 -0.53 0.02 0.00 0.52 0.00 0.00 34.95 35.15 1jed s ARG 190 CO 0.25 -0.55 -0.04 0.08 0.02 0.00 0.00 175.30 175.07 1jed s VAL 191 N 2.47 0.57 -0.27 3.52 1.01 -1.26 -0.26 120.40 126.17 1jed s VAL 191 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1jed s VAL 191 Cb -0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1jed s VAL 191 CO -0.13 0.26 0.16 0.54 0.00 0.00 0.00 175.10 175.93 1jed s VAL 192 N 1.40 5.08 0.02 2.92 0.11 0.41 -1.28 120.40 129.06 1jed s VAL 192 Ca -0.03 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1jed s VAL 192 Cb -0.13 -3.41 -0.06 0.00 -1.53 0.00 0.00 36.38 31.25 1jed s VAL 192 CO -0.03 0.28 0.49 0.00 -3.33 0.00 0.00 175.10 172.51 1jed s ALA 193 N 1.67 3.63 -0.22 1.54 0.00 0.06 -1.67 121.76 126.77 1jed s ALA 193 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1jed s ALA 193 Cb -0.16 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1jed s ALA 193 CO 0.09 0.40 -0.13 0.12 0.00 0.00 0.00 175.76 176.24 1jed s PHE 194 N -0.93 2.97 0.30 0.00 5.36 -0.46 -1.61 117.98 123.61 1jed s PHE 194 Ca 0.26 -1.70 -0.16 0.00 -0.96 0.00 0.00 56.93 54.37 1jed s PHE 194 Cb -0.18 -1.97 -0.09 0.00 -0.34 0.00 0.00 43.02 40.44 1jed s PHE 194 CO 0.16 -0.78 0.73 -1.14 -1.46 0.00 0.00 175.22 172.73 1jed s GLN 195 N 1.28 4.05 -0.20 10.12 2.00 -1.26 -1.65 119.66 134.00 1jed s GLN 195 Ca 0.01 0.70 -0.29 0.00 -2.00 0.00 0.00 55.36 53.79 1jed s GLN 195 Cb -0.15 -2.51 0.13 0.00 0.80 0.00 0.00 33.01 31.27 1jed s GLN 195 CO -0.08 0.20 1.02 -0.08 -0.50 0.00 0.00 175.29 175.85 1jed s THR 196 N -1.90 0.00 0.00 -0.34 -1.32 -1.26 -4.97 115.64 105.85 1jed s THR 196 Ca 0.52 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1jed s THR 196 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1jed s THR 196 CO 0.18 0.00 0.49 -2.11 -2.21 0.00 0.00 174.62 170.97 1jed n ARG 197 N 1.11 0.52 -4.58 7.08 1.85 -1.26 -1.22 116.66 120.16 1jed n ARG 197 Ca -0.11 -0.60 -0.27 0.00 -1.00 0.00 0.00 57.85 55.87 1jed n ARG 197 Cb 0.57 -0.70 -0.09 0.00 -1.05 0.00 0.00 32.46 31.20 1jed n ARG 197 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1jed s ASN 198 N -0.23 3.20 0.63 2.89 0.02 -1.26 -4.67 114.94 115.52 1jed s ASN 198 Ca 0.00 -1.56 -0.14 0.00 -1.02 0.00 0.00 52.86 50.14 1jed s ASN 198 Cb 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 41.25 41.51 1jed s ASN 198 CO 0.00 -0.78 1.05 -2.16 0.02 0.00 0.00 177.10 175.24 1jed s PRO 199 N -3.80 3.18 -0.15 -0.60 0.04 -1.26 -5.02 135.00 127.39 1jed s PRO 199 Ca 0.23 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1jed s PRO 199 Cb 0.05 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1jed s PRO 199 CO 0.12 -0.91 0.20 -1.64 0.04 0.00 0.00 177.00 174.81 1jed s MET 200 N -4.49 4.00 0.33 4.56 -1.94 -1.26 -5.06 119.30 115.43 1jed s MET 200 Ca 0.61 -0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.53 1jed s MET 200 Cb -0.15 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.35 1jed s MET 200 CO 0.44 0.43 0.09 0.72 -0.01 0.00 0.00 175.02 176.70 1jed n HIS 201 N 3.02 0.14 -0.27 -0.03 8.25 -1.26 -4.86 115.22 120.20 1jed n HIS 201 Ca -0.16 -1.53 0.03 0.00 -0.26 0.00 0.00 57.72 55.81 1jed n HIS 201 Cb 0.53 -0.24 0.11 0.00 1.12 0.00 0.00 29.99 31.52 1jed n HIS 201 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jed h ARG 202 N 0.00 0.02 -0.68 -0.41 9.65 -1.72 -0.80 114.38 120.44 1jed h ARG 202 Ca -0.25 -0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.74 1jed h ARG 202 Cb 0.80 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.29 1jed h ARG 202 CO 0.40 0.01 0.29 0.00 2.80 0.00 0.00 179.97 183.47 1jed h ALA 203 N 1.77 0.92 0.07 2.80 0.00 -1.90 0.27 119.26 123.18 1jed h ALA 203 Ca 0.39 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1jed h ALA 203 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jed h ALA 203 CO -0.77 -0.15 -0.03 0.45 0.00 0.00 0.00 179.25 178.74 1jed h HIS 204 N 0.48 -0.08 -0.44 0.00 3.86 -1.55 0.23 115.15 117.64 1jed h HIS 204 Ca 0.35 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.63 1jed h HIS 204 Cb 0.45 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1jed h HIS 204 CO -0.15 0.11 0.11 -0.09 0.86 0.00 0.00 177.93 178.77 1jed h ARG 205 N -0.27 0.24 -0.65 2.45 1.12 -0.99 0.24 114.38 116.52 1jed h ARG 205 Ca -0.01 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.77 1jed h ARG 205 Cb 0.23 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.11 1jed h ARG 205 CO 0.02 0.16 0.11 0.93 -3.11 0.00 0.00 179.97 178.08 1jed h GLU 206 N 0.25 1.07 -0.40 0.20 3.07 -0.78 -1.94 114.58 116.06 1jed h GLU 206 Ca 0.22 -0.28 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 1jed h GLU 206 Cb 0.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1jed h GLU 206 CO -0.27 0.98 -0.33 1.37 -1.40 0.00 0.00 179.01 179.37 1jed h LEU 207 N 0.98 0.94 -1.15 1.33 8.10 0.36 -1.29 115.31 124.58 1jed h LEU 207 Ca 0.20 -0.40 -0.09 0.00 0.11 0.00 0.00 57.88 57.70 1jed h LEU 207 Cb 0.43 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 1jed h LEU 207 CO 0.01 1.18 -0.42 0.71 -4.11 0.00 0.00 178.44 175.81 1jed h THR 208 N 0.75 1.30 -0.00 0.15 1.35 -0.46 -1.66 112.91 114.33 1jed h THR 208 Ca 0.08 -1.45 -0.22 0.00 -0.55 0.00 0.00 66.41 64.26 1jed h THR 208 Cb 0.90 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1jed h THR 208 CO 0.08 0.41 -0.93 0.58 -0.25 0.00 0.00 175.52 175.41 1jed h VAL 209 N 0.00 1.40 -0.58 6.82 2.07 -1.15 -1.53 116.25 123.28 1jed h VAL 209 Ca -0.00 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.03 1jed h VAL 209 Cb 0.75 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 1jed h VAL 209 CO 0.05 0.73 0.15 0.03 0.02 0.00 0.00 177.57 178.55 1jed h ARG 210 N 0.24 0.91 -0.10 1.57 3.08 -1.00 -1.02 114.38 118.05 1jed h ARG 210 Ca -0.08 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.78 1jed h ARG 210 Cb 1.57 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1jed h ARG 210 CO 0.16 0.84 -0.05 0.00 -1.07 0.00 0.00 179.97 179.85 1jed h ALA 211 N 1.03 0.04 -0.83 0.04 0.00 -1.20 0.63 119.26 118.98 1jed h ALA 211 Ca 0.18 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1jed h ALA 211 Cb 0.33 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1jed h ALA 211 CO -0.00 -0.51 0.54 0.00 0.00 0.00 0.00 179.25 179.28 1jed h ALA 212 N 1.06 1.61 -0.00 0.00 0.00 -1.01 0.29 119.26 121.20 1jed h ALA 212 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jed h ALA 212 Cb 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jed h ALA 212 CO -0.13 0.26 -0.26 -0.09 0.00 0.00 0.00 179.25 179.03 1jed h ARG 213 N 0.90 0.18 -0.09 0.00 2.43 -0.41 -0.30 114.38 117.10 1jed h ARG 213 Ca 0.36 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1jed h ARG 213 Cb 0.24 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1jed h ARG 213 CO -0.13 0.92 0.06 0.93 -1.51 0.00 0.00 179.97 180.24 1jed h GLU 214 N -0.48 0.11 0.00 0.20 3.07 0.63 -2.91 114.58 115.21 1jed h GLU 214 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1jed h GLU 214 Cb 1.01 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1jed h GLU 214 CO 0.05 0.09 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 1jed n ALA 215 N -2.12 2.22 -3.49 3.43 0.00 1.00 -4.92 120.51 116.63 1jed n ALA 215 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 1jed n ALA 215 Cb 0.04 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 18.12 1jed n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jed n ASN 216 N -2.10 -3.31 -4.08 0.00 4.13 -0.22 -4.99 115.26 104.69 1jed n ASN 216 Ca 0.05 -0.60 -0.08 0.00 1.68 0.00 0.00 54.58 55.64 1jed n ASN 216 Cb 0.39 -5.08 -0.10 0.00 -1.54 0.00 0.00 39.78 33.45 1jed n ASN 216 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jed s ALA 217 N -3.35 0.50 0.76 5.41 0.00 -0.60 -4.86 121.76 119.61 1jed s ALA 217 Ca 0.18 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1jed s ALA 217 Cb -0.08 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.33 1jed s ALA 217 CO 0.73 -0.32 1.08 0.15 0.00 0.00 0.00 175.76 177.40 1jed s LYS 218 N -3.54 2.41 -0.22 0.00 -0.14 0.64 -4.51 119.74 114.39 1jed s LYS 218 Ca 0.04 0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 55.40 1jed s LYS 218 Cb 0.05 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 34.21 1jed s LYS 218 CO -0.08 -1.44 0.13 0.08 -0.76 0.00 0.00 175.35 173.27 1jed s VAL 219 N -3.06 5.19 -0.32 3.17 1.01 0.98 -0.44 120.40 126.93 1jed s VAL 219 Ca 0.60 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1jed s VAL 219 Cb -0.15 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1jed s VAL 219 CO 0.55 0.39 0.05 -0.22 0.00 0.00 0.00 175.10 175.87 1jed s LEU 220 N 0.77 4.16 -0.61 3.92 2.96 -0.67 0.80 118.68 130.01 1jed s LEU 220 Ca 0.07 -1.31 -0.24 0.00 -0.22 0.00 0.00 54.13 52.43 1jed s LEU 220 Cb -0.13 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.84 1jed s LEU 220 CO 0.02 -0.31 0.99 -0.63 -1.32 0.00 0.00 176.35 175.11 1jed s ILE 221 N 1.28 4.28 -0.87 6.68 -1.09 0.84 -1.35 121.20 130.97 1jed s ILE 221 Ca -0.03 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1jed s ILE 221 Cb -0.20 -4.64 0.25 0.00 -1.58 0.00 0.00 42.46 36.29 1jed s ILE 221 CO -0.00 -1.33 0.96 1.57 -1.23 0.00 0.00 174.94 174.91 1jed n HIS 222 N 7.79 3.53 -2.42 3.97 -0.00 -0.66 -2.32 115.22 125.11 1jed n HIS 222 Ca 0.00 -3.73 -0.34 0.00 0.46 0.00 0.00 57.72 54.11 1jed n HIS 222 Cb 0.47 -0.99 -0.02 0.00 -0.12 0.00 0.00 29.99 29.32 1jed n HIS 222 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1jed s PRO 223 N -2.10 3.64 -0.21 1.57 0.04 -1.24 -4.06 135.00 132.64 1jed s PRO 223 Ca 0.32 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1jed s PRO 223 Cb 0.03 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1jed s PRO 223 CO -0.03 -0.57 0.71 0.08 0.04 0.00 0.00 177.00 177.23 1jed s VAL 224 N -1.99 4.95 -0.35 -0.36 1.01 -0.36 -0.75 120.40 122.56 1jed s VAL 224 Ca 0.68 1.35 0.03 0.00 0.00 0.00 0.00 61.98 64.04 1jed s VAL 224 Cb -0.18 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1jed s VAL 224 CO 0.23 0.04 0.91 1.33 0.00 0.00 0.00 175.10 177.61 1jed n VAL 225 N 4.92 0.64 0.00 2.92 0.24 0.37 -4.83 118.33 122.59 1jed n VAL 225 Ca 0.01 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1jed n VAL 225 Cb 0.49 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1jed n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jed n GLY 226 N -0.04 1.46 2.94 7.63 0.00 -1.09 -4.90 105.19 111.18 1jed n GLY 226 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1jed n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jed s LEU 227 N 0.00 1.75 0.00 0.99 1.43 -0.86 -4.93 118.68 117.06 1jed s LEU 227 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1jed s LEU 227 Cb 0.00 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.87 1jed s LEU 227 CO 0.00 0.02 0.00 0.35 0.23 0.00 0.00 176.35 176.95 1jed n THR 228 N 3.35 0.00 -4.54 5.49 -2.24 -1.26 0.47 114.28 115.55 1jed n THR 228 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1jed n THR 228 Cb 0.55 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1jed n THR 228 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jed s LYS 229 N 2.91 3.08 0.16 -0.78 2.20 -1.26 -4.75 119.74 121.30 1jed s LYS 229 Ca 0.00 -0.53 -0.32 0.00 -0.36 0.00 0.00 55.97 54.76 1jed s LYS 229 Cb 0.00 -2.71 -0.12 0.00 -1.51 0.00 0.00 37.83 33.49 1jed s LYS 229 CO 0.00 0.52 1.73 -2.30 -0.36 0.00 0.00 175.35 174.94 1jed n PRO 230 N 2.66 2.61 0.00 4.03 -0.02 -1.26 -1.28 135.00 141.75 1jed n PRO 230 Ca -0.18 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1jed n PRO 230 Cb 0.53 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1jed n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jed n GLY 231 N 3.94 0.51 3.69 -1.23 0.00 -1.26 -5.08 105.19 105.75 1jed n GLY 231 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1jed n GLY 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jed s ASP 232 N -2.03 3.04 0.28 1.61 1.01 -0.40 -4.96 116.67 115.22 1jed s ASP 232 Ca 0.00 1.43 -0.29 0.00 0.71 0.00 0.00 52.55 54.40 1jed s ASP 232 Cb 0.00 -2.11 -0.10 0.00 1.01 0.00 0.00 42.92 41.72 1jed s ASP 232 CO 0.00 -2.90 1.21 -0.63 0.21 0.00 0.00 175.17 173.06 1jed s ILE 233 N -2.90 3.16 0.75 0.77 -1.09 -1.26 -4.97 121.20 115.67 1jed s ILE 233 Ca 0.64 1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 60.04 1jed s ILE 233 Cb -0.19 -3.72 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1jed s ILE 233 CO 0.58 0.25 1.17 -0.90 -1.23 0.00 0.00 174.94 174.81 1jed n ASP 234 N 1.29 1.15 0.21 3.58 5.75 -1.26 -4.83 116.55 122.44 1jed n ASP 234 Ca 0.00 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.51 1jed n ASP 234 Cb 0.43 -1.50 0.48 0.00 -1.03 0.00 0.00 41.12 39.50 1jed n ASP 234 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jed h HIS 235 N -0.42 0.00 0.15 2.11 2.07 -1.92 -2.54 115.15 114.60 1jed h HIS 235 Ca -0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1jed h HIS 235 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1jed h HIS 235 CO 0.44 0.28 -0.07 0.45 -3.07 0.00 0.00 177.93 175.95 1jed h HIS 236 N 0.00 -0.19 -0.84 6.12 3.86 -1.97 0.62 115.15 122.76 1jed h HIS 236 Ca -0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1jed h HIS 236 Cb 0.61 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1jed h HIS 236 CO 0.00 -0.03 0.55 1.15 0.86 0.00 0.00 177.93 180.46 1jed h THR 237 N -0.30 1.07 -0.24 2.45 2.02 -1.91 -1.92 112.91 114.08 1jed h THR 237 Ca -0.02 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 1jed h THR 237 Cb 0.24 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1jed h THR 237 CO 0.03 0.17 -0.27 0.03 0.37 0.00 0.00 175.52 175.86 1jed h ARG 238 N 0.96 0.61 -0.74 6.66 3.08 -0.96 -1.33 114.38 122.65 1jed h ARG 238 Ca 0.35 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1jed h ARG 238 Cb 0.17 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1jed h ARG 238 CO -0.12 0.93 0.42 0.28 -1.07 0.00 0.00 179.97 180.41 1jed h VAL 239 N 0.32 0.94 -0.32 2.04 2.07 0.78 0.43 116.25 122.51 1jed h VAL 239 Ca 0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jed h VAL 239 Cb 0.83 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jed h VAL 239 CO 0.06 0.13 0.21 0.03 0.02 0.00 0.00 177.57 178.03 1jed h ARG 240 N 0.74 0.42 -0.84 1.57 3.08 -1.24 0.31 114.38 118.42 1jed h ARG 240 Ca 0.35 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.40 1jed h ARG 240 Cb 0.26 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1jed h ARG 240 CO -0.21 0.29 0.54 0.28 -1.07 0.00 0.00 179.97 179.79 1jed h VAL 241 N 0.43 1.13 -0.14 2.04 2.07 0.06 -1.54 116.25 120.30 1jed h VAL 241 Ca 0.12 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1jed h VAL 241 Cb -0.04 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1jed h VAL 241 CO -0.02 0.19 -0.01 1.88 0.02 0.00 0.00 177.57 179.62 1jed h TYR 242 N 1.05 0.29 -0.01 1.57 0.99 0.66 -0.81 116.97 120.72 1jed h TYR 242 Ca 0.33 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.98 1jed h TYR 242 Cb 0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 37.66 1jed h TYR 242 CO -0.02 0.51 -0.12 1.96 -0.00 0.00 0.00 178.16 180.49 1jed h GLN 243 N -0.02 0.01 0.08 4.88 4.20 -0.15 -1.28 115.11 122.84 1jed h GLN 243 Ca 0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jed h GLN 243 Cb 0.41 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1jed h GLN 243 CO 0.01 0.13 -0.04 1.49 -0.67 0.00 0.00 178.83 179.76 1jed h GLU 244 N 0.01 -0.10 -0.10 1.46 4.57 -1.11 -3.30 114.58 116.00 1jed h GLU 244 Ca 0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1jed h GLU 244 Cb 0.22 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1jed h GLU 244 CO 0.02 0.41 0.08 0.97 -1.18 0.00 0.00 179.01 179.30 1jed h ILE 245 N -0.92 0.84 0.00 2.32 2.10 -0.96 -1.46 117.51 119.44 1jed h ILE 245 Ca -0.01 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.92 1jed h ILE 245 Cb 0.56 0.95 -0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1jed h ILE 245 CO 0.02 0.00 -0.02 -0.29 -1.08 0.00 0.00 178.15 176.78 1jed h ILE 246 N 0.00 0.18 0.00 2.19 2.10 -1.31 0.85 117.51 121.52 1jed h ILE 246 Ca 0.05 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1jed h ILE 246 Cb 0.20 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1jed h ILE 246 CO -0.00 0.02 0.00 0.29 -1.08 0.00 0.00 178.15 177.38 1jed n LYS 247 N -3.29 0.44 0.00 2.19 4.76 -0.55 -2.74 118.16 118.97 1jed n LYS 247 Ca -0.02 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 1jed n LYS 247 Cb 0.15 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.04 1jed n LYS 247 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jed n ARG 248 N -1.23 0.86 -2.99 1.97 5.12 0.29 -4.89 116.66 115.78 1jed n ARG 248 Ca 0.13 -0.60 -0.28 0.00 -1.93 0.00 0.00 57.85 55.17 1jed n ARG 248 Cb 0.18 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.97 1jed n ARG 248 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jed s TYR 249 N -2.56 3.50 0.48 -1.55 1.51 -1.11 -5.03 117.35 112.59 1jed s TYR 249 Ca 0.20 0.77 -0.24 0.00 -1.01 0.00 0.00 57.07 56.80 1jed s TYR 249 Cb 0.18 -2.23 -0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1jed s TYR 249 CO 0.57 -0.05 1.32 -1.25 -1.11 0.00 0.00 175.55 175.04 1jed s PRO 250 N -4.09 3.54 -0.10 -1.71 0.04 -1.26 -4.86 135.00 126.56 1jed s PRO 250 Ca 0.47 2.17 -0.38 0.00 0.04 0.00 0.00 61.00 63.29 1jed s PRO 250 Cb -0.10 -2.47 -0.16 0.00 0.04 0.00 0.00 34.50 31.81 1jed s PRO 250 CO 0.36 -0.85 1.55 0.09 0.04 0.00 0.00 177.00 178.18 1jed n ASN 251 N -0.52 2.03 0.00 6.66 4.13 -1.26 -2.23 115.26 124.08 1jed n ASN 251 Ca 0.07 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1jed n ASN 251 Cb 0.45 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 1jed n ASN 251 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jed n GLY 252 N 3.37 0.65 0.07 7.41 0.00 -1.26 -4.95 105.19 110.49 1jed n GLY 252 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1jed n GLY 252 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jed n ILE 253 N -2.68 0.87 -4.32 -0.61 3.06 -0.95 -4.99 119.36 109.75 1jed n ILE 253 Ca 0.00 -0.68 -0.23 0.00 -2.50 0.00 0.00 62.75 59.34 1jed n ILE 253 Cb 0.00 -0.41 -0.12 0.00 0.54 0.00 0.00 39.64 39.65 1jed n ILE 253 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jed s ALA 254 N -2.98 1.95 -0.00 1.51 0.00 -1.26 -0.01 121.76 120.97 1jed s ALA 254 Ca -0.07 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.54 1jed s ALA 254 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1jed s ALA 254 CO 0.85 0.30 -0.14 0.12 0.00 0.00 0.00 175.76 176.88 1jed s PHE 255 N -1.66 1.27 -0.15 0.00 5.36 0.24 -4.95 117.98 118.10 1jed s PHE 255 Ca 0.12 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 55.82 1jed s PHE 255 Cb -0.08 -0.81 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 1jed s PHE 255 CO 0.06 -0.01 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.55 1jed s LEU 256 N -0.43 2.94 -0.09 6.12 2.96 -1.26 -0.11 118.68 128.80 1jed s LEU 256 Ca 0.05 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1jed s LEU 256 Cb -0.06 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.99 1jed s LEU 256 CO -0.00 0.15 0.20 -0.55 -1.32 0.00 0.00 176.35 174.83 1jed s SER 257 N 0.48 -0.07 0.05 3.68 0.15 -0.98 -4.98 113.70 112.02 1jed s SER 257 Ca -0.07 0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.77 1jed s SER 257 Cb -0.15 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1jed s SER 257 CO 0.04 -0.17 0.77 -0.76 1.20 0.00 0.00 173.24 174.31 1jed s LEU 258 N 1.42 4.45 -0.29 3.45 1.43 -0.13 -3.63 118.68 125.38 1jed s LEU 258 Ca -0.07 1.45 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 1jed s LEU 258 Cb -0.11 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1jed s LEU 258 CO -0.07 0.02 0.07 -0.22 0.23 0.00 0.00 176.35 176.37 1jed s LEU 259 N -0.07 3.76 0.00 1.79 2.96 0.07 -4.15 118.68 123.04 1jed s LEU 259 Ca 0.39 -0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1jed s LEU 259 Cb -0.21 -1.87 -0.11 0.00 0.50 0.00 0.00 46.19 44.51 1jed s LEU 259 CO 0.23 -0.17 2.56 -0.81 -1.32 0.00 0.00 176.35 176.84 1jed n PRO 260 N 4.86 1.35 -3.01 0.98 -0.04 -1.26 -0.48 135.00 137.39 1jed n PRO 260 Ca -0.15 -0.40 -0.34 0.00 -0.04 0.00 0.00 63.50 62.57 1jed n PRO 260 Cb 0.48 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1jed n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jed s LEU 261 N 0.00 4.18 -0.49 1.53 2.96 -1.26 -4.50 118.68 121.10 1jed s LEU 261 Ca 0.27 1.48 -0.13 0.00 -0.22 0.00 0.00 54.13 55.53 1jed s LEU 261 Cb 0.13 -3.98 0.11 0.00 0.50 0.00 0.00 46.19 42.95 1jed s LEU 261 CO 0.00 -0.13 0.40 0.00 -1.32 0.00 0.00 176.35 175.30 1jed s ALA 262 N -1.80 3.50 1.01 5.97 0.00 -1.26 -2.02 121.76 127.16 1jed s ALA 262 Ca 0.51 -2.42 -0.11 0.00 0.00 0.00 0.00 51.96 49.94 1jed s ALA 262 Cb -0.13 -3.01 0.20 0.00 0.00 0.00 0.00 23.12 20.17 1jed s ALA 262 CO 0.19 -1.88 1.09 -1.64 0.00 0.00 0.00 175.76 173.52 1jed s MET 263 N 1.51 0.28 0.00 0.00 1.00 0.18 -4.88 119.30 117.39 1jed s MET 263 Ca 0.04 1.21 0.00 0.00 0.00 0.00 0.00 55.69 56.94 1jed s MET 263 Cb -0.27 -1.67 0.00 0.00 0.00 0.00 0.00 34.83 32.89 1jed s MET 263 CO 0.02 -3.02 0.08 0.54 0.00 0.00 0.00 175.02 172.64 1jed n ARG 264 N -4.47 4.48 -3.54 2.03 3.00 -1.26 -4.79 116.66 112.10 1jed n ARG 264 Ca 0.08 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.85 57.58 1jed n ARG 264 Cb 0.53 -0.50 0.03 0.00 0.00 0.00 0.00 32.46 32.52 1jed n ARG 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1jed n MET 265 N -0.66 -5.47 -1.38 5.56 2.81 -1.26 -3.83 117.12 112.89 1jed n MET 265 Ca 0.00 0.69 -0.29 0.00 -1.81 0.00 0.00 57.70 56.29 1jed n MET 265 Cb 0.01 -5.58 0.02 0.00 -0.71 0.00 0.00 33.22 26.96 1jed n MET 265 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jed n SER 266 N -2.69 7.02 0.00 7.83 2.88 -1.21 -4.29 113.62 123.16 1jed n SER 266 Ca -0.01 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.08 1jed n SER 266 Cb 0.56 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1jed n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jed n GLY 267 N -0.02 0.51 0.16 0.46 0.00 -0.84 -1.20 105.19 104.25 1jed n GLY 267 Ca 0.49 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.55 1jed n GLY 267 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jed h ASP 268 N 0.00 0.40 -1.01 1.61 3.04 -1.88 -1.13 116.42 117.46 1jed h ASP 268 Ca 0.00 -0.02 0.02 0.00 -3.24 0.00 0.00 57.03 53.79 1jed h ASP 268 Cb 0.00 -0.10 -0.05 0.00 -1.04 0.00 0.00 39.33 38.14 1jed h ASP 268 CO 0.00 0.30 0.67 0.03 -2.04 0.00 0.00 179.24 178.19 1jed h ARG 269 N 0.47 1.30 -0.56 4.15 3.08 -1.71 -2.14 114.38 118.97 1jed h ARG 269 Ca 0.13 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1jed h ARG 269 Cb -0.05 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.69 1jed h ARG 269 CO -0.03 0.86 0.10 1.49 -1.07 0.00 0.00 179.97 181.32 1jed h GLU 270 N 1.34 0.88 -0.01 0.04 4.81 -0.76 -2.27 114.58 118.62 1jed h GLU 270 Ca 0.38 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jed h GLU 270 Cb -0.11 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1jed h GLU 270 CO -0.09 0.81 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 1jed h ALA 271 N 1.27 0.01 -0.83 2.92 0.00 -0.58 0.43 119.26 122.48 1jed h ALA 271 Ca 0.18 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1jed h ALA 271 Cb 0.36 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1jed h ALA 271 CO 0.01 -0.49 0.47 0.28 0.00 0.00 0.00 179.25 179.52 1jed h VAL 272 N -0.01 0.89 -0.34 0.00 2.07 -1.20 -0.47 116.25 117.19 1jed h VAL 272 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1jed h VAL 272 Cb 0.02 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1jed h VAL 272 CO -0.00 0.14 0.10 -0.25 0.02 0.00 0.00 177.57 177.58 1jed h TRP 273 N 0.78 0.56 -0.83 1.57 7.01 -0.84 -2.34 115.95 121.86 1jed h TRP 273 Ca 0.41 -0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.39 1jed h TRP 273 Cb 0.40 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 1jed h TRP 273 CO -0.06 0.56 0.52 0.45 -2.79 0.00 0.00 178.44 177.12 1jed h HIS 274 N 0.40 0.97 -0.69 2.65 3.86 0.11 -0.04 115.15 122.41 1jed h HIS 274 Ca 0.11 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1jed h HIS 274 Cb 0.27 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1jed h HIS 274 CO 0.01 0.53 0.32 0.00 0.86 0.00 0.00 177.93 179.65 1jed h ALA 275 N 1.37 0.89 -0.40 2.45 0.00 -0.93 0.13 119.26 122.77 1jed h ALA 275 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jed h ALA 275 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jed h ALA 275 CO -0.14 0.47 0.14 0.82 0.00 0.00 0.00 179.25 180.54 1jed h ILE 276 N 0.97 1.21 -0.17 0.00 2.04 -0.82 -0.93 117.51 119.81 1jed h ILE 276 Ca 0.24 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1jed h ILE 276 Cb 0.15 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1jed h ILE 276 CO -0.03 0.24 0.09 0.40 0.00 0.00 0.00 178.15 178.85 1jed h ILE 277 N 0.50 1.11 -0.61 -0.67 2.04 -0.62 -1.76 117.51 117.50 1jed h ILE 277 Ca 0.13 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1jed h ILE 277 Cb 0.23 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1jed h ILE 277 CO -0.01 0.11 0.29 0.03 0.00 0.00 0.00 178.15 178.57 1jed h ARG 278 N 0.16 0.86 -0.35 2.37 -0.00 -0.62 -1.20 114.38 115.60 1jed h ARG 278 Ca 0.06 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 1jed h ARG 278 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 29.88 1jed h ARG 278 CO -0.01 0.67 0.20 -0.22 0.00 0.00 0.00 179.97 180.61 1jed h LYS 279 N 0.86 0.49 -0.86 0.04 3.64 -0.89 -1.65 116.57 118.20 1jed h LYS 279 Ca 0.21 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1jed h LYS 279 Cb 0.09 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1jed h LYS 279 CO -0.03 0.39 0.56 -0.91 -2.27 0.00 0.00 179.45 177.20 1jed h ASN 280 N 0.45 0.84 0.20 4.20 2.35 -0.45 -0.17 115.58 123.00 1jed h ASN 280 Ca 0.13 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1jed h ASN 280 Cb 0.04 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1jed h ASN 280 CO -0.02 0.53 0.00 -1.22 -1.65 0.00 0.00 177.43 175.07 1jed n TYR 281 N -4.49 0.00 0.00 1.19 4.01 -0.54 -4.82 117.16 112.51 1jed n TYR 281 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1jed n TYR 281 Cb 0.22 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1jed n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jed n GLY 282 N 0.54 0.96 3.82 2.72 0.00 -0.08 -4.08 105.19 109.07 1jed n GLY 282 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1jed n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jed s ALA 283 N -2.00 3.11 -0.05 4.61 0.00 -0.73 -4.65 121.76 122.05 1jed s ALA 283 Ca 0.00 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.50 1jed s ALA 283 Cb 0.00 -3.09 -0.28 0.00 0.00 0.00 0.00 23.12 19.75 1jed s ALA 283 CO 0.00 0.17 0.36 -1.13 0.00 0.00 0.00 175.76 175.16 1jed n SER 284 N -0.44 0.70 -4.06 0.00 3.41 -0.40 -4.09 113.62 108.74 1jed n SER 284 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 1jed n SER 284 Cb 0.53 1.72 -0.11 0.00 -0.26 0.00 0.00 64.21 66.09 1jed n SER 284 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jed s HIS 285 N -3.17 0.64 -0.03 7.33 3.76 -0.46 -1.61 115.29 121.75 1jed s HIS 285 Ca -0.07 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1jed s HIS 285 Cb 0.11 -0.39 0.03 0.00 1.11 0.00 0.00 32.58 33.44 1jed s HIS 285 CO 0.77 -0.10 0.02 0.12 -0.85 0.00 0.00 174.74 174.71 1jed s PHE 286 N -1.53 0.15 0.19 1.40 5.36 0.16 -0.76 117.98 122.94 1jed s PHE 286 Ca -0.09 0.10 -0.30 0.00 -0.96 0.00 0.00 56.93 55.68 1jed s PHE 286 Cb -0.09 -0.36 -0.08 0.00 -0.34 0.00 0.00 43.02 42.16 1jed s PHE 286 CO -0.00 -0.13 0.99 0.42 -1.46 0.00 0.00 175.22 175.04 1jed s ILE 287 N 1.28 4.13 -0.28 3.12 1.01 -0.64 -1.09 121.20 128.74 1jed s ILE 287 Ca -0.06 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.50 1jed s ILE 287 Cb -0.13 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.19 1jed s ILE 287 CO -0.03 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.72 1jed s VAL 288 N -0.61 0.19 0.00 2.92 1.01 -0.90 -4.71 120.40 118.30 1jed s VAL 288 Ca 0.45 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1jed s VAL 288 Cb -0.26 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1jed s VAL 288 CO 0.33 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1jed n GLY 289 N 5.14 1.57 3.74 4.51 0.00 -1.26 -2.10 105.19 116.78 1jed n GLY 289 Ca -0.05 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1jed n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jed s ARG 290 N 1.54 4.12 -1.47 1.61 3.52 -1.24 -3.08 118.95 123.95 1jed s ARG 290 Ca 0.00 2.60 -0.00 0.00 -0.13 0.00 0.00 55.73 58.19 1jed s ARG 290 Cb 0.00 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1jed s ARG 290 CO 0.00 -0.68 0.22 -3.47 -0.81 0.00 0.00 175.30 170.56 1jed n ASP 291 N 2.83 0.24 -4.70 -2.12 4.64 0.16 -4.84 116.55 112.77 1jed n ASP 291 Ca 0.11 -1.14 -0.44 0.00 -1.38 0.00 0.00 54.79 51.95 1jed n ASP 291 Cb 0.36 -2.36 -0.04 0.00 -1.04 0.00 0.00 41.12 38.05 1jed n ASP 291 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 1jed n HIS 292 N -4.49 2.54 -1.40 -0.67 -0.00 -1.18 -2.01 115.22 108.02 1jed n HIS 292 Ca -0.32 0.14 -0.15 0.00 -0.00 0.00 0.00 57.72 57.40 1jed n HIS 292 Cb 0.69 -2.62 -0.06 0.00 -0.00 0.00 0.00 29.99 28.00 1jed n HIS 292 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jed n ALA 293 N 3.73 -0.22 -2.14 1.57 0.00 -1.26 -4.32 120.51 117.87 1jed n ALA 293 Ca 0.16 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 1jed n ALA 293 Cb 0.32 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1jed n ALA 293 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jed s GLY 294 N -2.31 2.43 -0.21 0.00 0.00 -0.85 -2.00 107.32 104.39 1jed s GLY 294 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.87 1jed s GLY 294 CO 0.00 0.33 1.45 -1.55 0.00 0.00 0.00 173.10 173.33 1jed n PRO 295 N 0.04 3.23 0.00 2.90 -0.04 -1.26 -4.97 135.00 134.90 1jed n PRO 295 Ca 0.01 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1jed n PRO 295 Cb 0.52 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1jed n PRO 295 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jed n GLY 296 N 0.14 0.71 3.67 0.55 0.00 -1.26 -4.85 105.19 104.16 1jed n GLY 296 Ca 0.26 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 1jed n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jed s LYS 297 N 0.00 2.42 0.75 1.61 1.02 -1.26 -1.72 119.74 122.56 1jed s LYS 297 Ca 0.00 -1.21 -0.10 0.00 0.02 0.00 0.00 55.97 54.68 1jed s LYS 297 Cb 0.00 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1jed s LYS 297 CO 0.00 0.42 1.11 0.54 -0.92 0.00 0.00 175.35 176.50 1jed s ASN 298 N -3.30 4.80 0.55 2.83 6.03 -0.35 -4.84 114.94 120.64 1jed s ASN 298 Ca 0.29 0.76 0.36 0.00 -1.03 0.00 0.00 52.86 53.24 1jed s ASN 298 Cb -0.08 -1.36 1.54 0.00 -3.03 0.00 0.00 41.25 38.31 1jed s ASN 298 CO 0.20 -1.69 1.81 0.77 -2.03 0.00 0.00 177.10 176.15 1jed h SER 299 N -0.83 0.00 0.27 3.54 4.64 -1.98 0.67 113.55 119.86 1jed h SER 299 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jed h SER 299 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1jed h SER 299 CO 0.64 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 1jed n LYS 300 N -4.15 0.44 -0.76 4.77 5.02 -1.26 -4.88 118.16 117.34 1jed n LYS 300 Ca 0.25 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1jed n LYS 300 Cb 1.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 1jed n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jed n GLY 301 N 0.50 0.75 3.86 0.72 0.00 0.23 -5.05 105.19 106.21 1jed n GLY 301 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1jed n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jed s VAL 302 N -2.77 5.05 0.20 1.61 0.11 -1.25 -4.81 120.40 118.53 1jed s VAL 302 Ca 0.00 0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 59.27 1jed s VAL 302 Cb 0.00 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 31.10 1jed s VAL 302 CO 0.00 0.28 1.33 -1.81 -3.33 0.00 0.00 175.10 171.56 1jed s ASP 303 N -1.76 6.86 0.23 3.54 -0.00 -1.26 -1.22 116.67 123.07 1jed s ASP 303 Ca 0.34 2.43 0.02 0.00 -0.00 0.00 0.00 52.55 55.34 1jed s ASP 303 Cb -0.14 -2.61 0.23 0.00 -0.00 0.00 0.00 42.92 40.40 1jed s ASP 303 CO 0.18 -0.55 1.56 -0.26 -0.00 0.00 0.00 175.17 176.10 1jed h PHE 304 N 5.40 0.44 -3.86 4.23 -1.00 -1.69 -3.45 116.94 117.00 1jed h PHE 304 Ca -0.45 -0.16 -0.12 0.00 2.81 0.00 0.00 57.97 60.06 1jed h PHE 304 Cb 1.21 -0.08 -0.16 0.00 3.61 0.00 0.00 35.95 40.53 1jed h PHE 304 CO 0.62 0.83 -0.51 0.71 -1.61 0.00 0.00 178.31 178.34 1jed s TYR 305 N -3.90 0.23 0.49 -0.55 1.51 -1.26 -5.03 117.35 108.83 1jed s TYR 305 Ca -0.05 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 1jed s TYR 305 Cb 0.12 -0.16 -0.08 0.00 -0.11 0.00 0.00 41.96 41.73 1jed s TYR 305 CO 0.81 -0.41 1.07 0.20 -1.11 0.00 0.00 175.55 176.12 1jed s GLY 306 N -2.39 2.60 0.35 0.71 0.00 -1.26 -4.88 107.32 102.45 1jed s GLY 306 Ca -0.01 0.70 0.14 0.00 0.00 0.00 0.00 44.72 45.56 1jed s GLY 306 CO -0.07 1.06 1.35 -0.56 0.00 0.00 0.00 173.10 174.88 1jed h PRO 307 N 1.65 0.00 0.00 2.90 0.13 -1.98 -1.96 132.00 132.73 1jed h PRO 307 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1jed h PRO 307 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jed h PRO 307 CO 0.59 0.00 -0.48 0.66 -0.23 0.00 0.00 178.00 178.54 1jed n TYR 308 N -2.12 0.00 -0.14 1.56 4.02 -1.26 0.35 117.16 119.56 1jed n TYR 308 Ca -0.01 -0.24 -0.08 0.00 -0.01 0.00 0.00 57.90 57.56 1jed n TYR 308 Cb 0.33 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1jed n TYR 308 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1jed h ASP 309 N 0.12 0.51 -0.48 7.72 3.45 -1.72 -1.76 116.42 124.26 1jed h ASP 309 Ca -0.02 -0.05 0.04 0.00 0.43 0.00 0.00 57.03 57.43 1jed h ASP 309 Cb 1.38 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 39.98 1jed h ASP 309 CO 0.01 0.41 0.24 0.00 -1.57 0.00 0.00 179.24 178.33 1jed h ALA 310 N 1.12 0.61 -0.72 3.45 0.00 -1.88 -0.30 119.26 121.54 1jed h ALA 310 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jed h ALA 310 Cb -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1jed h ALA 310 CO -0.03 -0.12 0.48 1.96 0.00 0.00 0.00 179.25 181.54 1jed h GLN 311 N 0.47 0.95 -0.44 0.00 4.20 -1.81 -0.74 115.11 117.73 1jed h GLN 311 Ca 0.21 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1jed h GLN 311 Cb 0.13 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1jed h GLN 311 CO -0.16 0.63 -0.21 0.93 -0.67 0.00 0.00 178.83 179.35 1jed h GLU 312 N 0.98 0.88 -0.22 1.46 5.08 -0.61 -0.99 114.58 121.16 1jed h GLU 312 Ca 0.26 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1jed h GLU 312 Cb -0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jed h GLU 312 CO -0.06 1.00 -0.12 1.25 -1.00 0.00 0.00 179.01 180.09 1jed h LEU 313 N 0.77 0.49 -0.78 1.33 6.46 -0.82 -1.62 115.31 121.14 1jed h LEU 313 Ca 0.10 -0.42 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1jed h LEU 313 Cb 0.75 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1jed h LEU 313 CO 0.06 0.80 0.49 0.58 -0.62 0.00 0.00 178.44 179.75 1jed h VAL 314 N 0.18 1.11 -0.75 1.05 2.07 -1.09 -2.03 116.25 116.78 1jed h VAL 314 Ca 0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1jed h VAL 314 Cb 0.62 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jed h VAL 314 CO 0.03 0.18 0.35 -0.08 0.02 0.00 0.00 177.57 178.06 1jed h GLU 315 N 0.96 1.09 0.00 1.57 4.57 -0.99 -1.50 114.58 120.29 1jed h GLU 315 Ca 0.31 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1jed h GLU 315 Cb 0.02 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1jed h GLU 315 CO -0.12 0.85 -0.20 0.66 -1.18 0.00 0.00 179.01 179.03 1jed h SER 316 N 1.08 0.00 -0.50 1.04 4.64 -0.60 -2.19 113.55 117.01 1jed h SER 316 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1jed h SER 316 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1jed h SER 316 CO -0.03 0.20 0.00 -1.22 -0.87 0.00 0.00 176.83 174.91 1jed n TYR 317 N -3.47 0.65 -0.25 4.77 0.53 -0.88 -4.74 117.16 113.78 1jed n TYR 317 Ca -0.01 -0.33 -0.07 0.00 -1.02 0.00 0.00 57.90 56.48 1jed n TYR 317 Cb 0.37 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.62 1jed n TYR 317 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1jed n LYS 318 N 1.55 -0.26 0.00 -0.72 4.81 -0.62 -0.44 118.16 122.48 1jed n LYS 318 Ca 0.21 1.07 0.07 0.00 -0.87 0.00 0.00 58.31 58.80 1jed n LYS 318 Cb 0.61 -1.59 0.42 0.00 0.02 0.00 0.00 35.03 34.50 1jed n LYS 318 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jed n HIS 319 N -4.46 0.00 -0.07 5.64 8.25 -1.26 -2.90 115.22 120.41 1jed n HIS 319 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1jed n HIS 319 Cb 0.15 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 1jed n HIS 319 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1jed n GLU 320 N -0.92 0.93 -0.14 -0.41 2.13 0.42 -4.63 120.64 118.02 1jed n GLU 320 Ca 0.11 0.05 0.10 0.00 0.66 0.00 0.00 57.16 58.08 1jed n GLU 320 Cb 0.05 -1.29 0.43 0.00 0.27 0.00 0.00 31.44 30.90 1jed n GLU 320 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1jed h LEU 321 N 0.00 0.51 1.97 4.31 3.38 -1.14 -3.46 115.31 120.87 1jed h LEU 321 Ca -0.31 0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.28 1jed h LEU 321 Cb 1.56 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1jed h LEU 321 CO -0.03 0.31 -0.43 -0.67 0.09 0.00 0.00 178.44 177.71 1jed n ASP 322 N -4.48 -5.42 -3.76 -0.43 2.03 -1.25 -4.91 116.55 98.33 1jed n ASP 322 Ca 0.11 0.19 -0.13 0.00 0.52 0.00 0.00 54.79 55.48 1jed n ASP 322 Cb 0.33 -4.53 -0.13 0.00 -0.72 0.00 0.00 41.12 36.08 1jed n ASP 322 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1jed s ILE 323 N -2.85 -0.03 -0.02 5.18 2.07 -1.26 -4.77 121.20 119.52 1jed s ILE 323 Ca 0.00 0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 59.04 1jed s ILE 323 Cb 0.00 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 1jed s ILE 323 CO 0.00 0.04 1.25 -0.70 -1.91 0.00 0.00 174.94 173.62 1jed s GLU 324 N 0.82 4.34 -0.15 3.50 2.56 -0.64 -4.86 118.70 124.28 1jed s GLU 324 Ca -0.06 1.76 -0.13 0.00 0.00 0.00 0.00 54.97 56.55 1jed s GLU 324 Cb -0.07 -3.53 -0.05 0.00 2.00 0.00 0.00 34.13 32.48 1jed s GLU 324 CO -0.05 -0.46 0.27 0.08 -0.56 0.00 0.00 175.26 174.54 1jed s VAL 325 N 2.11 5.32 -0.55 3.70 1.01 -1.26 0.37 120.40 131.10 1jed s VAL 325 Ca 0.58 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1jed s VAL 325 Cb -0.27 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1jed s VAL 325 CO 0.24 0.43 0.39 -0.69 0.00 0.00 0.00 175.10 175.47 1jed s VAL 326 N 0.21 3.96 0.34 2.92 1.01 -0.25 -4.91 120.40 123.68 1jed s VAL 326 Ca 0.16 -2.34 -0.25 0.00 0.00 0.00 0.00 61.98 59.55 1jed s VAL 326 Cb -0.13 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1jed s VAL 326 CO 0.04 -0.82 0.94 -2.16 0.00 0.00 0.00 175.10 173.10 1jed s PRO 327 N 0.68 4.51 0.01 2.72 0.04 -1.26 -2.13 135.00 139.58 1jed s PRO 327 Ca 0.12 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.47 1jed s PRO 327 Cb -0.22 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1jed s PRO 327 CO -0.03 0.22 -0.11 -0.06 0.04 0.00 0.00 177.00 177.05 1jed s PHE 328 N -1.72 1.01 0.41 0.56 0.08 -0.89 -4.94 117.98 112.48 1jed s PHE 328 Ca 0.52 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.30 1jed s PHE 328 Cb -0.17 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1jed s PHE 328 CO 0.22 -0.00 0.63 0.50 -0.10 0.00 0.00 175.22 176.47 1jed s ARG 329 N -0.69 3.33 -0.47 0.44 6.06 -1.26 -3.63 118.95 122.73 1jed s ARG 329 Ca 0.02 -0.31 -0.42 0.00 -2.50 0.00 0.00 55.73 52.52 1jed s ARG 329 Cb -0.06 -2.58 -0.18 0.00 0.06 0.00 0.00 34.95 32.19 1jed s ARG 329 CO 0.00 -0.07 1.82 -0.12 -2.50 0.00 0.00 175.30 174.43 1jed n MET 330 N -1.97 0.00 -2.96 5.12 0.00 -1.26 -4.33 117.12 111.72 1jed n MET 330 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.26 1jed n MET 330 Cb 0.57 -1.40 -0.05 0.00 0.00 0.00 0.00 33.22 32.33 1jed n MET 330 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1jed s VAL 331 N 4.59 4.70 0.45 1.12 1.01 -1.26 0.54 120.40 131.55 1jed s VAL 331 Ca 1.07 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.84 1jed s VAL 331 Cb -1.40 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 30.68 1jed s VAL 331 CO 0.67 -0.52 0.01 0.28 0.00 0.00 0.00 175.10 175.53 1jed s THR 332 N 3.17 1.63 0.01 3.92 -1.32 -0.53 -4.88 115.64 117.63 1jed s THR 332 Ca 0.31 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.65 1jed s THR 332 Cb -0.13 -2.64 -0.06 0.00 -1.51 0.00 0.00 72.50 68.17 1jed s THR 332 CO 0.19 0.00 0.39 -0.47 -2.21 0.00 0.00 174.62 172.52 1jed s TYR 333 N -2.79 3.70 -0.41 9.09 5.04 -1.09 -1.91 117.35 128.98 1jed s TYR 333 Ca 0.23 0.94 0.04 0.00 -2.44 0.00 0.00 57.07 55.83 1jed s TYR 333 Cb 0.06 -2.25 0.11 0.00 0.35 0.00 0.00 41.96 40.24 1jed s TYR 333 CO 0.12 0.63 0.13 -0.51 -1.34 0.00 0.00 175.55 174.58 1jed s LEU 334 N -1.21 4.64 0.11 6.97 1.43 -0.10 -0.59 118.68 129.93 1jed s LEU 334 Ca 0.25 -2.45 -0.27 0.00 -1.03 0.00 0.00 54.13 50.63 1jed s LEU 334 Cb -0.16 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1jed s LEU 334 CO 0.13 -0.34 1.44 -0.65 0.23 0.00 0.00 176.35 177.17 1jed h PRO 335 N 7.25 -0.30 -0.19 1.29 0.11 -1.85 0.54 132.00 138.85 1jed h PRO 335 Ca -0.06 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.10 1jed h PRO 335 Cb 0.98 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1jed h PRO 335 CO 0.59 -0.20 0.13 -0.44 -0.21 0.00 0.00 178.00 177.86 1jed h ASP 336 N -0.32 0.11 -0.02 -2.05 3.45 -1.96 -1.43 116.42 114.21 1jed h ASP 336 Ca 0.06 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1jed h ASP 336 Cb 0.48 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1jed h ASP 336 CO -0.49 0.07 -0.33 -0.62 -1.57 0.00 0.00 179.24 176.30 1jed n GLU 337 N -4.50 1.52 -3.65 3.56 1.02 -1.03 -5.01 120.64 112.54 1jed n GLU 337 Ca 0.01 -1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 55.85 1jed n GLU 337 Cb 0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1jed n GLU 337 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jed n ASP 338 N 0.20 -5.43 -3.58 1.62 4.64 0.19 -4.97 116.55 109.22 1jed n ASP 338 Ca 0.09 -0.80 -0.05 0.00 -1.38 0.00 0.00 54.79 52.66 1jed n ASP 338 Cb 0.44 -2.40 -0.02 0.00 -1.04 0.00 0.00 41.12 38.10 1jed n ASP 338 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jed s ARG 339 N -4.60 0.46 0.28 -0.67 1.70 -1.08 -5.01 118.95 110.03 1jed s ARG 339 Ca 0.01 -0.19 0.06 0.00 -0.47 0.00 0.00 55.73 55.14 1jed s ARG 339 Cb -0.00 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1jed s ARG 339 CO 0.87 -0.20 0.34 0.71 -1.08 0.00 0.00 175.30 175.94 1jed s TYR 340 N -2.61 3.23 -0.22 5.89 1.51 -1.26 -0.92 117.35 122.98 1jed s TYR 340 Ca 0.09 -0.12 -0.32 0.00 -1.01 0.00 0.00 57.07 55.71 1jed s TYR 340 Cb -0.00 -1.66 0.16 0.00 -0.11 0.00 0.00 41.96 40.35 1jed s TYR 340 CO -0.05 0.33 1.22 0.00 -1.11 0.00 0.00 175.55 175.93 1jed s ALA 341 N -2.10 -2.06 0.29 3.71 0.00 -0.80 -4.97 121.76 115.83 1jed s ALA 341 Ca 0.37 1.70 -0.29 0.00 0.00 0.00 0.00 51.96 53.74 1jed s ALA 341 Cb -0.08 -0.75 -0.11 0.00 0.00 0.00 0.00 23.12 22.18 1jed s ALA 341 CO 0.28 -0.41 1.48 -2.14 0.00 0.00 0.00 175.76 174.97 1jed s PRO 342 N -1.64 4.21 0.49 0.00 0.02 -1.26 -1.46 135.00 135.36 1jed s PRO 342 Ca 0.07 2.42 0.17 0.00 0.02 0.00 0.00 61.00 63.68 1jed s PRO 342 Cb -0.01 -3.05 1.19 0.00 0.02 0.00 0.00 34.50 32.65 1jed s PRO 342 CO -0.05 -0.47 2.06 0.97 -0.33 0.00 0.00 177.00 179.18 1jed h ILE 343 N 3.33 0.92 0.00 2.83 6.09 -0.10 -0.16 117.51 130.42 1jed h ILE 343 Ca -0.47 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1jed h ILE 343 Cb 1.22 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.25 1jed h ILE 343 CO 0.74 0.03 0.00 -0.90 -3.07 0.00 0.00 178.15 174.95 1jed n ASP 344 N -4.47 0.00 -0.44 2.19 5.75 -1.26 -2.50 116.55 115.82 1jed n ASP 344 Ca 0.04 -0.14 0.08 0.00 -0.01 0.00 0.00 54.79 54.75 1jed n ASP 344 Cb 0.28 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1jed n ASP 344 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jed n GLN 345 N -1.22 1.56 -4.41 0.11 6.02 -0.08 -4.99 117.38 114.38 1jed n GLN 345 Ca 0.10 -1.01 -0.25 0.00 -0.01 0.00 0.00 57.00 55.84 1jed n GLN 345 Cb 0.13 -1.26 -0.10 0.00 1.02 0.00 0.00 30.24 30.03 1jed n GLN 345 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1jed s ILE 346 N -1.63 2.66 -0.67 5.09 -4.36 -1.04 -5.02 121.20 116.23 1jed s ILE 346 Ca 0.14 -2.12 -0.19 0.00 -0.26 0.00 0.00 60.65 58.23 1jed s ILE 346 Cb 0.12 -2.35 0.11 0.00 1.25 0.00 0.00 42.46 41.59 1jed s ILE 346 CO 0.31 -0.26 0.83 -0.62 0.24 0.00 0.00 174.94 175.44 1jed s ASP 347 N -3.16 6.29 0.00 4.36 3.68 -1.26 -4.86 116.67 121.72 1jed s ASP 347 Ca 0.26 -1.53 0.00 0.00 2.13 0.00 0.00 52.55 53.41 1jed s ASP 347 Cb -0.07 -2.33 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1jed s ASP 347 CO 0.14 -1.13 0.12 0.35 0.13 0.00 0.00 175.17 174.78 1jed n THR 348 N 5.50 0.00 -0.11 1.71 -2.24 -1.26 -1.81 114.28 116.07 1jed n THR 348 Ca -0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 1jed n THR 348 Cb 0.44 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 1jed n THR 348 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jed n THR 349 N -0.61 1.32 -0.57 4.28 -1.04 -1.26 -4.62 114.28 111.78 1jed n THR 349 Ca 0.00 -0.26 0.08 0.00 -2.04 0.00 0.00 64.05 61.84 1jed n THR 349 Cb 0.00 -1.88 0.35 0.00 -1.82 0.00 0.00 70.33 66.98 1jed n THR 349 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1jed n LYS 350 N -4.10 3.94 -3.75 -2.82 2.85 -0.75 -4.89 118.16 108.65 1jed n LYS 350 Ca -0.42 -2.79 -0.12 0.00 -1.05 0.00 0.00 58.31 53.93 1jed n LYS 350 Cb 0.77 -1.98 -0.12 0.00 -0.65 0.00 0.00 35.03 33.05 1jed n LYS 350 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1jed s THR 351 N -2.10 -0.02 0.10 0.58 -4.23 -0.77 -5.00 115.64 104.19 1jed s THR 351 Ca 0.49 0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.89 1jed s THR 351 Cb 0.34 -0.43 -0.07 0.00 1.34 0.00 0.00 72.50 73.68 1jed s THR 351 CO 0.21 0.03 0.57 -0.60 -0.54 0.00 0.00 174.62 174.28 1jed s ARG 352 N 0.70 4.13 0.28 3.99 3.52 -1.26 -4.53 118.95 125.79 1jed s ARG 352 Ca -0.04 0.67 0.11 0.00 -0.13 0.00 0.00 55.73 56.33 1jed s ARG 352 Cb -0.06 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1jed s ARG 352 CO -0.04 0.59 -0.18 0.95 -0.81 0.00 0.00 175.30 175.81 1jed s THR 353 N -1.22 2.34 0.00 4.11 -4.23 -1.26 -4.07 115.64 111.30 1jed s THR 353 Ca 0.32 -2.35 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1jed s THR 353 Cb -0.18 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 1jed s THR 353 CO 0.19 -0.40 0.01 -0.76 -0.54 0.00 0.00 174.62 173.12 1jed s LEU 354 N -3.50 2.01 -0.20 4.79 1.43 0.24 -4.94 118.68 118.51 1jed s LEU 354 Ca 0.29 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1jed s LEU 354 Cb -0.03 0.10 0.09 0.00 0.03 0.00 0.00 46.19 46.37 1jed s LEU 354 CO 0.14 -0.11 0.44 0.21 0.23 0.00 0.00 176.35 177.26 1jed s ASN 355 N -0.48 -0.38 -0.41 2.29 3.84 -1.26 -2.67 114.94 115.88 1jed s ASN 355 Ca -0.05 1.02 -0.16 0.00 0.21 0.00 0.00 52.86 53.87 1jed s ASN 355 Cb -0.03 1.28 0.02 0.00 -0.55 0.00 0.00 41.25 41.96 1jed s ASN 355 CO -0.00 -0.22 0.40 -0.63 -2.79 0.00 0.00 177.10 173.85 1jed s ILE 356 N 2.34 5.14 0.83 -5.21 1.01 -1.26 -5.06 121.20 118.98 1jed s ILE 356 Ca -0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1jed s ILE 356 Cb -0.11 -3.99 0.09 0.00 0.01 0.00 0.00 42.46 38.46 1jed s ILE 356 CO -0.13 -0.35 1.13 -0.94 0.00 0.00 0.00 174.94 174.64 1jed s SER 357 N 1.77 4.27 0.13 3.58 1.04 -1.26 -4.79 113.70 118.44 1jed s SER 357 Ca 0.10 1.04 -0.20 0.00 0.48 0.00 0.00 55.95 57.37 1jed s SER 357 Cb -0.17 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1jed s SER 357 CO 0.13 -2.08 1.72 1.23 0.98 0.00 0.00 173.24 175.22 1jed h GLY 358 N -1.17 0.18 0.02 7.32 0.00 -1.98 0.28 103.07 107.73 1jed h GLY 358 Ca -0.48 0.02 0.06 0.00 0.00 0.00 0.00 47.33 46.93 1jed h GLY 358 CO 0.62 -0.04 -0.35 -0.84 0.00 0.00 0.00 176.54 175.94 1jed h THR 359 N 0.06 0.24 -0.76 4.70 2.02 -1.99 0.66 112.91 117.84 1jed h THR 359 Ca 0.09 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.40 1jed h THR 359 Cb 0.11 0.24 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 1jed h THR 359 CO -0.16 0.00 0.34 -0.08 0.37 0.00 0.00 175.52 176.00 1jed h GLU 360 N -0.37 0.51 -0.12 6.66 4.57 -1.69 -0.34 114.58 123.80 1jed h GLU 360 Ca 0.11 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1jed h GLU 360 Cb 0.56 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1jed h GLU 360 CO -0.42 0.34 -0.02 1.25 -1.18 0.00 0.00 179.01 178.98 1jed h LEU 361 N 0.52 0.22 -0.64 1.64 5.85 0.14 -1.95 115.31 121.08 1jed h LEU 361 Ca 0.41 -0.35 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1jed h LEU 361 Cb 0.56 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 1jed h LEU 361 CO -0.36 0.51 0.04 0.08 -0.34 0.00 0.00 178.44 178.37 1jed h ARG 362 N -0.08 0.14 -0.13 1.25 0.11 0.95 -1.52 114.38 115.09 1jed h ARG 362 Ca 0.03 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.13 1jed h ARG 362 Cb 0.41 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 1jed h ARG 362 CO 0.01 0.09 -0.01 -0.09 0.10 0.00 0.00 179.97 180.07 1jed h ARG 363 N 0.15 0.03 -0.42 0.08 2.43 -0.84 -2.13 114.38 113.67 1jed h ARG 363 Ca 0.34 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1jed h ARG 363 Cb 0.56 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1jed h ARG 363 CO -0.53 0.02 0.21 0.00 -1.51 0.00 0.00 179.97 178.16 1jed h ARG 364 N 0.03 0.42 -0.25 0.20 3.08 -0.52 -1.37 114.38 115.97 1jed h ARG 364 Ca 0.06 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1jed h ARG 364 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1jed h ARG 364 CO -0.12 0.28 0.17 -0.07 -1.07 0.00 0.00 179.97 179.16 1jed h LEU 365 N 0.43 0.18 0.00 3.04 3.38 -1.17 0.54 115.31 121.71 1jed h LEU 365 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jed h LEU 365 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jed h LEU 365 CO -0.12 0.13 -0.40 -0.09 0.09 0.00 0.00 178.44 178.05 1jed h ARG 366 N 0.21 0.00 0.00 1.13 2.43 -0.61 -3.09 114.38 114.45 1jed h ARG 366 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jed h ARG 366 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1jed h ARG 366 CO -0.02 0.00 -0.85 1.33 -1.51 0.00 0.00 179.97 178.92 1jed n VAL 367 N -2.80 0.00 -0.73 0.20 0.24 -0.61 -0.84 118.33 113.79 1jed n VAL 367 Ca 0.03 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1jed n VAL 367 Cb 0.52 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1jed n VAL 367 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jed n GLY 368 N 1.39 0.59 3.73 7.63 0.00 0.15 -4.77 105.19 113.91 1jed n GLY 368 Ca 0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1jed n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jed s GLY 369 N -2.35 2.01 0.40 -0.02 0.00 0.10 -4.98 107.32 102.47 1jed s GLY 369 Ca 0.00 0.61 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 1jed s GLY 369 CO 0.00 1.00 1.01 -0.54 0.00 0.00 0.00 173.10 174.57 1jed s GLU 370 N -4.34 4.23 -0.20 2.90 8.01 -1.26 -4.61 118.70 123.43 1jed s GLU 370 Ca 0.68 1.38 -0.01 0.00 0.01 0.00 0.00 54.97 57.03 1jed s GLU 370 Cb -0.23 -2.48 0.01 0.00 -4.31 0.00 0.00 34.13 27.12 1jed s GLU 370 CO 0.50 -0.06 -0.12 0.42 0.01 0.00 0.00 175.26 176.00 1jed s ILE 371 N -1.78 2.71 0.13 -1.63 1.09 -1.26 -5.01 121.20 115.45 1jed s ILE 371 Ca 0.58 -0.73 -0.33 0.00 -1.10 0.00 0.00 60.65 59.08 1jed s ILE 371 Cb -0.18 -2.20 -0.18 0.00 -1.06 0.00 0.00 42.46 38.84 1jed s ILE 371 CO 0.23 0.47 0.80 -2.65 -0.10 0.00 0.00 174.94 173.70 1jed n PRO 372 N 4.71 0.21 -0.13 2.79 -0.02 -1.26 -4.84 135.00 136.45 1jed n PRO 372 Ca -0.20 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1jed n PRO 372 Cb 0.50 -1.32 0.49 0.00 -0.02 0.00 0.00 33.50 33.16 1jed n PRO 372 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jed h GLU 373 N 2.00 0.43 0.00 -0.52 4.39 -1.99 -0.30 114.58 118.59 1jed h GLU 373 Ca -0.38 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 1jed h GLU 373 Cb 1.42 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1jed h GLU 373 CO 0.61 0.28 -0.08 0.11 -1.16 0.00 0.00 179.01 178.78 1jed h TRP 374 N 0.44 0.00 0.24 4.33 5.08 -2.03 -3.35 115.95 120.67 1jed h TRP 374 Ca 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 1jed h TRP 374 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 1jed h TRP 374 CO -0.00 0.08 -0.12 0.35 -1.28 0.00 0.00 178.44 177.48 1jed h PHE 375 N 0.00 -0.30 -4.25 0.12 3.57 -1.38 -3.45 116.94 111.25 1jed h PHE 375 Ca -0.00 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 1jed h PHE 375 Cb 0.77 0.10 -0.15 0.00 2.79 0.00 0.00 35.95 39.46 1jed h PHE 375 CO 0.00 -0.05 -0.64 0.45 -2.23 0.00 0.00 178.31 175.84 1jed s SER 376 N -5.25 0.56 0.28 0.41 0.15 -1.22 -2.07 113.70 106.57 1jed s SER 376 Ca -0.08 -1.27 -0.29 0.00 0.70 0.00 0.00 55.95 55.00 1jed s SER 376 Cb 0.00 0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 64.48 1jed s SER 376 CO 0.27 -0.73 1.10 -0.31 1.20 0.00 0.00 173.24 174.77 1jed s TYR 377 N -3.96 3.58 0.27 3.44 1.51 -1.26 -4.69 117.35 116.24 1jed s TYR 377 Ca 0.30 1.70 0.01 0.00 -1.01 0.00 0.00 57.07 58.07 1jed s TYR 377 Cb 0.07 -3.28 0.61 0.00 -0.11 0.00 0.00 41.96 39.26 1jed s TYR 377 CO 0.07 -0.53 1.73 -1.00 -1.11 0.00 0.00 175.55 174.71 1jed h PRO 378 N 3.79 0.50 -0.66 -1.71 0.13 -1.94 -1.60 132.00 130.51 1jed h PRO 378 Ca -0.47 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1jed h PRO 378 Cb 1.21 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1jed h PRO 378 CO 0.67 0.33 0.29 0.93 -0.23 0.00 0.00 178.00 179.99 1jed h GLU 379 N 0.51 0.94 0.06 0.86 3.07 -1.99 -0.62 114.58 117.40 1jed h GLU 379 Ca 0.50 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1jed h GLU 379 Cb 0.82 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1jed h GLU 379 CO -0.44 0.74 -0.03 0.28 -1.40 0.00 0.00 179.01 178.17 1jed h VAL 380 N 0.93 1.06 -0.67 3.13 2.07 -1.68 -2.00 116.25 119.09 1jed h VAL 380 Ca 0.23 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1jed h VAL 380 Cb 0.13 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1jed h VAL 380 CO -0.03 0.09 0.44 0.58 0.02 0.00 0.00 177.57 178.68 1jed h VAL 381 N -0.24 1.15 -0.32 2.57 2.07 -1.11 -0.76 116.25 119.61 1jed h VAL 381 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jed h VAL 381 Cb 0.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1jed h VAL 381 CO 0.01 0.16 0.16 0.50 0.02 0.00 0.00 177.57 178.42 1jed h LYS 382 N 0.88 0.45 -0.79 1.57 3.64 -0.90 0.31 116.57 121.73 1jed h LYS 382 Ca 0.25 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1jed h LYS 382 Cb -0.06 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1jed h LYS 382 CO -0.06 0.41 0.35 0.82 -2.27 0.00 0.00 179.45 178.70 1jed h ILE 383 N 0.38 1.25 -0.04 2.00 2.04 -0.77 0.23 117.51 122.61 1jed h ILE 383 Ca 0.11 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1jed h ILE 383 Cb 0.11 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1jed h ILE 383 CO -0.01 0.32 0.01 -0.07 0.00 0.00 0.00 178.15 178.39 1jed h LEU 384 N 1.14 0.05 -0.86 1.44 3.38 -0.71 -2.81 115.31 116.94 1jed h LEU 384 Ca 0.27 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1jed h LEU 384 Cb 0.17 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1jed h LEU 384 CO -0.03 0.28 0.54 0.03 0.09 0.00 0.00 178.44 179.36 1jed h ARG 385 N -0.18 0.98 -0.68 1.13 3.08 -0.74 0.12 114.38 118.09 1jed h ARG 385 Ca 0.01 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.14 1jed h ARG 385 Cb 0.25 -0.22 -0.10 0.00 0.08 0.00 0.00 29.97 29.98 1jed h ARG 385 CO 0.00 0.65 0.16 0.93 -1.07 0.00 0.00 179.97 180.64 1jed h GLU 386 N 1.01 0.27 -0.16 0.04 5.08 -0.70 -1.69 114.58 118.44 1jed h GLU 386 Ca 0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1jed h GLU 386 Cb 0.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jed h GLU 386 CO -0.15 0.18 0.00 -1.13 -1.00 0.00 0.00 179.01 176.90 1jed n SER 387 N -5.14 3.02 -3.19 1.42 3.41 -0.91 -4.46 113.62 107.76 1jed n SER 387 Ca 0.12 -1.93 -0.23 0.00 -0.26 0.00 0.00 58.87 56.58 1jed n SER 387 Cb 0.40 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1jed n SER 387 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jed n ASN 388 N 1.28 0.36 -4.74 4.04 3.02 0.36 -5.06 115.26 114.51 1jed n ASN 388 Ca 0.15 -2.77 -0.37 0.00 -0.03 0.00 0.00 54.58 51.55 1jed n ASN 388 Cb 0.56 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1jed n ASN 388 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jed s PRO 389 N -1.49 2.94 0.81 3.52 0.04 -0.70 -4.45 135.00 135.67 1jed s PRO 389 Ca 0.36 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 1jed s PRO 389 Cb 0.21 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1jed s PRO 389 CO -0.10 -1.30 1.10 -1.25 0.04 0.00 0.00 177.00 175.48 1jed s PRO 390 N -3.13 1.92 0.26 0.56 0.04 -1.17 -4.64 135.00 128.83 1jed s PRO 390 Ca 0.76 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1jed s PRO 390 Cb -0.37 -1.86 0.49 0.00 0.04 0.00 0.00 34.50 32.80 1jed s PRO 390 CO 0.42 -1.88 1.62 0.00 0.04 0.00 0.00 177.00 177.19 1jed h ARG 391 N -1.30 0.07 0.00 4.56 2.47 -1.22 0.14 114.38 119.09 1jed h ARG 391 Ca -0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1jed h ARG 391 Cb 1.24 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1jed h ARG 391 CO 0.51 0.05 0.07 -0.35 0.56 0.00 0.00 179.97 180.80 1jed n PRO 392 N -5.40 0.00 -0.00 0.04 -0.04 -0.16 -0.26 135.00 129.18 1jed n PRO 392 Ca 0.15 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 64.02 1jed n PRO 392 Cb 0.52 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1jed n PRO 392 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jed n LYS 393 N -1.37 4.38 -1.70 0.54 4.76 0.44 -4.92 118.16 120.29 1jed n LYS 393 Ca 0.00 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1jed n LYS 393 Cb 0.07 -0.84 0.04 0.00 -1.84 0.00 0.00 35.03 32.46 1jed n LYS 393 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1jed s GLN 394 N -1.70 2.93 0.49 1.97 -0.21 0.64 -4.68 119.66 119.10 1jed s GLN 394 Ca 0.02 1.13 0.03 0.00 0.02 0.00 0.00 55.36 56.57 1jed s GLN 394 Cb 0.05 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 32.09 1jed s GLN 394 CO 0.27 -1.11 0.68 0.20 -2.12 0.00 0.00 175.29 173.20 1jed s GLY 395 N -3.22 1.82 0.24 3.09 0.00 -1.20 -4.73 107.32 103.31 1jed s GLY 395 Ca 0.62 -1.41 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 1jed s GLY 395 CO 0.47 -1.18 0.89 -0.11 0.00 0.00 0.00 173.10 173.18 1jed s PHE 396 N -2.58 -0.04 -0.07 1.90 -0.12 -0.23 -4.84 117.98 112.00 1jed s PHE 396 Ca 0.55 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.98 1jed s PHE 396 Cb -0.10 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.03 1jed s PHE 396 CO 0.36 -1.09 0.17 0.45 -0.05 0.00 0.00 175.22 175.06 1jed s SER 397 N -3.07 -0.17 -0.18 1.98 0.15 0.21 -0.79 113.70 111.83 1jed s SER 397 Ca 0.15 0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.12 1jed s SER 397 Cb -0.03 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1jed s SER 397 CO 0.06 -0.10 -0.04 -0.63 1.20 0.00 0.00 173.24 173.72 1jed s ILE 398 N 0.62 3.70 -0.19 6.45 -1.09 0.18 -0.62 121.20 130.25 1jed s ILE 398 Ca -0.04 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1jed s ILE 398 Cb -0.06 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1jed s ILE 398 CO -0.03 0.47 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.40 1jed s VAL 399 N 0.73 3.50 -0.58 2.92 1.01 0.30 -0.64 120.40 127.65 1jed s VAL 399 Ca -0.02 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1jed s VAL 399 Cb -0.15 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1jed s VAL 399 CO 0.02 0.46 1.34 -0.76 0.00 0.00 0.00 175.10 176.16 1jed s LEU 400 N 0.95 3.40 0.89 3.92 1.43 -0.08 -0.60 118.68 128.59 1jed s LEU 400 Ca -0.00 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1jed s LEU 400 Cb -0.15 -3.06 0.03 0.00 0.03 0.00 0.00 46.19 43.05 1jed s LEU 400 CO 0.01 -1.65 0.52 0.61 0.23 0.00 0.00 176.35 176.06 1jed n GLY 401 N 5.21 -1.70 0.20 -3.19 0.00 0.13 -3.75 105.19 102.10 1jed n GLY 401 Ca 0.11 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1jed n GLY 401 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jed h ASN 402 N -1.26 0.04 0.39 1.61 2.35 -1.93 -2.63 115.58 114.14 1jed h ASN 402 Ca -0.44 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.26 1jed h ASN 402 Cb 1.30 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 1jed h ASN 402 CO 0.37 0.33 -0.21 0.77 -1.65 0.00 0.00 177.43 177.04 1jed h SER 403 N 0.03 0.00 -1.51 5.81 4.64 -1.91 -3.45 113.55 117.16 1jed h SER 403 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1jed h SER 403 Cb 0.53 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.69 1jed h SER 403 CO 0.04 0.21 0.10 0.18 -0.87 0.00 0.00 176.83 176.49 1jed n LEU 404 N -3.86 0.68 -0.01 5.97 7.99 -0.99 -4.71 117.00 122.07 1jed n LEU 404 Ca -0.02 1.14 0.01 0.00 -0.01 0.00 0.00 56.01 57.14 1jed n LEU 404 Cb 0.30 -1.09 -0.01 0.00 -0.11 0.00 0.00 43.42 42.51 1jed n LEU 404 CO 0.34 -1.71 0.03 1.07 -1.51 0.00 0.00 177.39 175.61 1jed n THR 405 N 1.35 0.00 -1.90 -5.08 5.66 -0.34 -5.03 114.28 108.94 1jed n THR 405 Ca 0.17 -0.45 -0.29 0.00 -3.05 0.00 0.00 64.05 60.43 1jed n THR 405 Cb 0.20 1.01 0.13 0.00 -1.55 0.00 0.00 70.33 70.11 1jed n THR 405 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jed s VAL 406 N -1.10 2.00 -0.04 1.08 -7.23 -1.19 -4.90 120.40 109.02 1jed s VAL 406 Ca 0.01 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1jed s VAL 406 Cb 0.02 -2.99 -0.06 0.00 0.56 0.00 0.00 36.38 33.90 1jed s VAL 406 CO 0.09 0.00 1.68 -0.55 -0.31 0.00 0.00 175.10 176.01 1jed s SER 407 N -4.69 6.65 0.16 4.85 0.15 -1.26 -4.87 113.70 114.69 1jed s SER 407 Ca 0.67 2.28 -0.10 0.00 0.70 0.00 0.00 55.95 59.49 1jed s SER 407 Cb -0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1jed s SER 407 CO 0.51 -0.93 1.55 0.03 1.20 0.00 0.00 173.24 175.59 1jed h ARG 408 N 9.61 1.00 0.62 5.44 3.08 -1.92 -0.77 114.38 131.43 1jed h ARG 408 Ca -0.40 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.19 1jed h ARG 408 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1jed h ARG 408 CO 0.95 1.11 -0.34 0.93 -1.07 0.00 0.00 179.97 181.55 1jed h GLU 409 N 0.86 -0.86 -0.87 0.04 5.08 -1.93 -0.51 114.58 116.39 1jed h GLU 409 Ca 0.11 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1jed h GLU 409 Cb 0.79 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1jed h GLU 409 CO 0.07 -0.57 0.58 1.96 -1.00 0.00 0.00 179.01 180.04 1jed h GLN 410 N -0.89 1.12 -0.22 2.33 1.08 -1.95 -1.62 115.11 114.96 1jed h GLN 410 Ca -0.08 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 56.95 1jed h GLN 410 Cb 0.70 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1jed h GLN 410 CO 0.11 0.74 -0.31 1.25 -0.95 0.00 0.00 178.83 179.66 1jed h LEU 411 N 1.15 0.47 0.15 1.46 5.85 -1.02 -0.99 115.31 122.38 1jed h LEU 411 Ca 0.33 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1jed h LEU 411 Cb -0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1jed h LEU 411 CO -0.08 0.76 -0.07 0.28 -0.34 0.00 0.00 178.44 178.98 1jed h SER 412 N 0.39 -0.17 -0.44 1.25 0.02 -0.40 -1.15 113.55 113.05 1jed h SER 412 Ca 0.05 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1jed h SER 412 Cb 0.74 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1jed h SER 412 CO 0.06 0.03 0.27 0.40 -1.14 0.00 0.00 176.83 176.45 1jed h ILE 413 N -0.37 1.13 -0.39 3.27 2.04 -1.21 0.47 117.51 122.45 1jed h ILE 413 Ca -0.02 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1jed h ILE 413 Cb 0.29 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1jed h ILE 413 CO 0.03 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.43 1jed h ALA 414 N 1.14 0.44 -0.74 1.87 0.00 -1.11 0.32 119.26 121.17 1jed h ALA 414 Ca 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jed h ALA 414 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jed h ALA 414 CO -0.03 -0.28 0.27 -0.07 0.00 0.00 0.00 179.25 179.13 1jed h LEU 415 N 0.26 1.05 0.74 0.00 3.38 -0.85 -1.00 115.31 118.89 1jed h LEU 415 Ca 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jed h LEU 415 Cb 0.19 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jed h LEU 415 CO -0.21 0.96 -0.36 0.25 0.09 0.00 0.00 178.44 179.17 1jed h LEU 416 N 1.09 -0.84 -1.60 1.67 5.85 0.13 -1.08 115.31 120.52 1jed h LEU 416 Ca 0.24 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1jed h LEU 416 Cb 0.25 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1jed h LEU 416 CO -0.01 -0.55 0.37 0.28 -0.34 0.00 0.00 178.44 178.18 1jed h SER 417 N -1.09 0.43 0.10 1.25 0.02 -0.39 -1.22 113.55 112.66 1jed h SER 417 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1jed h SER 417 Cb 0.78 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jed h SER 417 CO 0.17 0.28 -0.05 0.74 -1.14 0.00 0.00 176.83 176.83 1jed h THR 418 N 0.49 1.11 -0.96 -2.27 2.02 -1.04 -2.97 112.91 109.28 1jed h THR 418 Ca 0.24 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.58 1jed h THR 418 Cb 0.32 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1jed h THR 418 CO -0.07 0.22 0.62 -0.26 0.37 0.00 0.00 175.52 176.40 1jed h PHE 419 N -0.58 1.10 -0.88 3.16 0.04 -0.82 -2.19 116.94 116.78 1jed h PHE 419 Ca -0.01 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1jed h PHE 419 Cb 0.47 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1jed h PHE 419 CO 0.06 0.52 0.58 -0.07 -0.60 0.00 0.00 178.31 178.80 1jed h LEU 420 N 1.04 0.91 -1.45 1.54 3.38 -1.18 -2.36 115.31 117.20 1jed h LEU 420 Ca 0.44 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 1jed h LEU 420 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jed h LEU 420 CO -0.19 0.61 -0.28 0.06 0.09 0.00 0.00 178.44 178.72 1jed h GLN 421 N 1.05 0.00 -0.61 1.13 3.07 -1.23 -2.77 115.11 115.75 1jed h GLN 421 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.10 1jed h GLN 421 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.64 1jed h GLN 421 CO -0.12 0.28 0.37 0.74 0.09 0.00 0.00 178.83 180.19 1jed h PHE 422 N 0.00 0.78 -1.11 0.06 0.05 -1.46 -3.48 116.94 111.78 1jed h PHE 422 Ca -0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1jed h PHE 422 Cb 0.54 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.23 1jed h PHE 422 CO 0.00 0.52 0.00 0.41 -0.18 0.00 0.00 178.31 179.06 1jed n GLY 423 N -1.37 -0.97 0.00 -1.45 0.00 -1.05 -4.99 105.19 95.36 1jed n GLY 423 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1jed n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 424 N 0.00 0.66 0.00 -0.02 0.00 -1.26 -4.68 105.19 99.89 1jed n GLY 424 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jed n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 425 N -1.19 0.17 3.79 -0.02 0.00 -1.26 -5.09 105.19 101.59 1jed n GLY 425 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jed n GLY 425 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jed s ARG 426 N -0.93 4.53 -0.11 1.61 3.52 -1.26 -5.05 118.95 121.26 1jed s ARG 426 Ca 0.00 1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 56.78 1jed s ARG 426 Cb 0.00 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1jed s ARG 426 CO 0.00 0.24 0.25 -0.47 -0.81 0.00 0.00 175.30 174.50 1jed s TYR 427 N -1.70 3.57 0.12 5.12 6.14 -1.26 -4.94 117.35 124.40 1jed s TYR 427 Ca 0.52 0.64 0.10 0.00 0.64 0.00 0.00 57.07 58.98 1jed s TYR 427 Cb -0.17 -2.16 -0.04 0.00 0.42 0.00 0.00 41.96 40.01 1jed s TYR 427 CO 0.22 0.53 -0.26 0.71 0.64 0.00 0.00 175.55 177.39 1jed s TYR 428 N -0.48 2.25 -0.20 4.97 1.51 -1.26 -0.23 117.35 123.91 1jed s TYR 428 Ca 0.17 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 1jed s TYR 428 Cb -0.13 -1.23 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1jed s TYR 428 CO 0.06 0.30 0.55 0.21 -1.11 0.00 0.00 175.55 175.56 1jed s LYS 429 N -1.95 0.66 -0.41 -0.62 2.20 -0.70 -4.97 119.74 113.95 1jed s LYS 429 Ca 0.13 0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 56.20 1jed s LYS 429 Cb -0.10 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.56 1jed s LYS 429 CO 0.05 -0.09 0.94 0.42 -0.36 0.00 0.00 175.35 176.32 1jed s ILE 430 N 0.19 4.52 -0.39 5.43 -1.09 -1.26 -0.33 121.20 128.27 1jed s ILE 430 Ca -0.01 1.06 -0.09 0.00 -2.23 0.00 0.00 60.65 59.38 1jed s ILE 430 Cb -0.04 -4.39 0.05 0.00 -1.58 0.00 0.00 42.46 36.51 1jed s ILE 430 CO 0.01 -0.67 0.21 0.12 -1.23 0.00 0.00 174.94 173.39 1jed s PHE 431 N 3.64 3.29 -0.32 3.97 5.36 0.29 -4.91 117.98 129.30 1jed s PHE 431 Ca 0.39 -1.34 -0.18 0.00 -0.96 0.00 0.00 56.93 54.84 1jed s PHE 431 Cb -0.11 -2.66 -0.01 0.00 -0.34 0.00 0.00 43.02 39.90 1jed s PHE 431 CO 0.22 -0.76 0.51 -1.21 -1.46 0.00 0.00 175.22 172.52 1jed s GLU 432 N 1.46 3.76 0.09 10.12 2.02 -1.26 -4.32 118.70 130.56 1jed s GLU 432 Ca 0.02 -0.02 0.21 0.00 0.02 0.00 0.00 54.97 55.20 1jed s GLU 432 Cb -0.21 -3.76 -0.14 0.00 0.10 0.00 0.00 34.13 30.12 1jed s GLU 432 CO 0.04 -0.55 0.78 -2.39 0.02 0.00 0.00 175.26 173.16 1jed n HIS 433 N 5.68 0.63 -3.00 1.61 1.44 -1.26 -4.96 115.22 115.37 1jed n HIS 433 Ca -0.05 0.19 -0.16 0.00 -2.01 0.00 0.00 57.72 55.70 1jed n HIS 433 Cb 0.49 -0.84 -0.01 0.00 0.12 0.00 0.00 29.99 29.75 1jed n HIS 433 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1jed n ASN 434 N -2.59 -2.82 0.00 4.39 4.13 -1.26 -0.09 115.26 117.03 1jed n ASN 434 Ca -0.05 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1jed n ASN 434 Cb 0.64 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.46 1jed n ASN 434 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jed n ASN 435 N -1.96 -5.04 -4.62 6.41 5.15 -1.26 -4.92 115.26 109.02 1jed n ASN 435 Ca -0.03 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.52 1jed n ASN 435 Cb 0.54 -3.19 -0.02 0.00 -0.53 0.00 0.00 39.78 36.57 1jed n ASN 435 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jed s LYS 436 N -1.76 3.90 0.54 1.20 1.02 0.87 -4.89 119.74 120.62 1jed s LYS 436 Ca 0.00 0.80 0.24 0.00 0.02 0.00 0.00 55.97 57.03 1jed s LYS 436 Cb 0.00 -3.81 1.41 0.00 -0.52 0.00 0.00 37.83 34.91 1jed s LYS 436 CO 0.00 -1.09 2.04 1.79 -0.92 0.00 0.00 175.35 177.17 1jed h THR 437 N 5.93 0.74 0.00 2.17 1.35 -1.91 0.56 112.91 121.76 1jed h THR 437 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1jed h THR 437 Cb 1.06 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1jed h THR 437 CO 1.06 0.00 0.00 1.05 -0.25 0.00 0.00 175.52 177.38 1jed h GLU 438 N 0.00 0.00 0.01 4.72 4.11 -1.94 -1.03 114.58 120.45 1jed h GLU 438 Ca 0.17 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.20 1jed h GLU 438 Cb 0.73 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1jed h GLU 438 CO -0.00 0.00 -2.28 1.28 0.07 0.00 0.00 179.01 178.08 1jed n LEU 439 N -2.95 2.21 -0.31 3.06 4.77 0.19 -4.34 117.00 119.63 1jed n LEU 439 Ca -0.02 0.24 0.20 0.00 -0.03 0.00 0.00 56.01 56.40 1jed n LEU 439 Cb 0.12 -0.89 0.47 0.00 -2.33 0.00 0.00 43.42 40.79 1jed n LEU 439 CO 0.20 0.63 1.21 -0.07 -1.33 0.00 0.00 177.39 178.03 1jed h LEU 440 N -0.71 0.51 0.00 2.23 3.38 -0.94 0.36 115.31 120.15 1jed h LEU 440 Ca -0.60 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1jed h LEU 440 Cb 1.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1jed h LEU 440 CO -0.28 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 176.85 1jed n SER 441 N -4.63 0.00 0.04 -0.43 3.41 -0.41 -2.50 113.62 109.10 1jed n SER 441 Ca 0.23 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 1jed n SER 441 Cb 0.77 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1jed n SER 441 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jed n LEU 442 N -1.45 0.51 -0.29 1.04 4.77 0.13 -4.41 117.00 117.29 1jed n LEU 442 Ca 0.04 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1jed n LEU 442 Cb 0.17 0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.52 1jed n LEU 442 CO 0.14 -0.03 0.90 0.40 -1.33 0.00 0.00 177.39 177.46 1jed h ILE 443 N 0.00 0.30 0.00 -0.08 2.04 -1.48 0.25 117.51 118.55 1jed h ILE 443 Ca -0.06 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1jed h ILE 443 Cb 1.16 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1jed h ILE 443 CO 0.01 0.03 -0.34 1.56 0.00 0.00 0.00 178.15 179.41 1jed h GLN 444 N 0.16 0.00 -0.68 2.37 1.08 -1.79 -2.21 115.11 114.04 1jed h GLN 444 Ca 0.51 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.64 1jed h GLN 444 Cb 1.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 1jed h GLN 444 CO -0.68 0.34 0.13 -0.44 -0.95 0.00 0.00 178.83 177.24 1jed h ASP 445 N 0.00 1.06 -0.16 1.46 3.45 -0.75 0.44 116.42 121.93 1jed h ASP 445 Ca -0.00 -0.24 -0.07 0.00 0.43 0.00 0.00 57.03 57.14 1jed h ASP 445 Cb 1.03 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1jed h ASP 445 CO 0.04 1.04 -0.19 -0.26 -1.57 0.00 0.00 179.24 178.30 1jed h PHE 446 N 1.05 0.49 -0.98 4.55 -1.00 -1.29 -0.37 116.94 119.38 1jed h PHE 446 Ca 0.21 -0.16 0.01 0.00 2.81 0.00 0.00 57.97 60.84 1jed h PHE 446 Cb 0.42 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 39.83 1jed h PHE 446 CO 0.03 0.81 0.64 0.82 -1.61 0.00 0.00 178.31 179.00 1jed h ILE 447 N 0.03 1.26 0.00 -0.55 2.04 -1.22 0.35 117.51 119.42 1jed h ILE 447 Ca 0.02 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1jed h ILE 447 Cb 0.74 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1jed h ILE 447 CO 0.05 0.25 -0.27 1.23 0.00 0.00 0.00 178.15 179.41 1jed h GLY 448 N 1.34 0.00 0.95 5.37 0.00 0.04 -1.94 103.07 108.83 1jed h GLY 448 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1jed h GLY 448 CO -0.08 0.00 -0.04 1.44 0.00 0.00 0.00 176.54 177.86 1jed n SER 449 N -4.04 0.32 0.00 0.19 7.64 -0.01 -4.89 113.62 112.83 1jed n SER 449 Ca -0.02 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1jed n SER 449 Cb 0.33 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1jed n SER 449 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jed n GLY 450 N 1.19 0.78 3.89 0.23 0.00 -0.73 -4.98 105.19 105.57 1jed n GLY 450 Ca 0.18 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1jed n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jed s SER 451 N -2.07 6.40 -0.25 1.61 0.01 -0.46 -4.07 113.70 114.87 1jed s SER 451 Ca 0.00 0.98 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 1jed s SER 451 Cb 0.00 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1jed s SER 451 CO 0.00 -0.44 0.04 -0.83 0.41 0.00 0.00 173.24 172.42 1jed s GLY 452 N -3.56 1.73 -0.14 3.44 0.00 0.68 -1.07 107.32 108.41 1jed s GLY 452 Ca 0.48 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 1jed s GLY 452 CO 0.37 0.52 -0.02 1.08 0.00 0.00 0.00 173.10 175.05 1jed s LEU 453 N 1.56 3.40 -0.37 0.66 1.43 0.03 -1.73 118.68 123.66 1jed s LEU 453 Ca 0.06 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1jed s LEU 453 Cb -0.15 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1jed s LEU 453 CO 0.02 0.23 0.18 -0.63 0.23 0.00 0.00 176.35 176.37 1jed s ILE 454 N -0.01 4.19 -0.44 -0.59 1.01 0.55 -0.65 121.20 125.27 1jed s ILE 454 Ca 0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.46 1jed s ILE 454 Cb -0.13 -3.40 0.07 0.00 0.01 0.00 0.00 42.46 39.01 1jed s ILE 454 CO 0.02 -0.27 0.32 -0.63 0.00 0.00 0.00 174.94 174.38 1jed s ILE 455 N 1.47 4.79 0.62 2.92 1.01 0.19 -0.55 121.20 131.65 1jed s ILE 455 Ca 0.01 -1.15 0.25 0.00 0.00 0.00 0.00 60.65 59.76 1jed s ILE 455 Cb -0.20 -3.86 0.31 0.00 0.01 0.00 0.00 42.46 38.72 1jed s ILE 455 CO 0.04 -0.50 1.66 1.55 0.00 0.00 0.00 174.94 177.69 1jed h PRO 456 N 8.59 0.00 -2.35 2.79 0.13 -1.85 -0.18 132.00 139.13 1jed h PRO 456 Ca -0.26 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.01 1jed h PRO 456 Cb 1.10 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1jed h PRO 456 CO 0.80 0.00 0.47 0.54 -0.23 0.00 0.00 178.00 179.59 1jed s ASN 457 N -4.34 -0.28 0.98 1.44 2.20 -1.26 -4.51 114.94 109.18 1jed s ASN 457 Ca -0.03 -0.21 -0.12 0.00 -0.94 0.00 0.00 52.86 51.55 1jed s ASN 457 Cb 0.11 0.45 0.18 0.00 -2.00 0.00 0.00 41.25 39.99 1jed s ASN 457 CO 0.38 -0.79 1.10 -1.10 -2.94 0.00 0.00 177.10 173.76 1jed s GLN 458 N -3.24 0.55 0.15 3.55 -0.21 -1.25 -4.79 119.66 114.42 1jed s GLN 458 Ca 0.09 0.45 0.10 0.00 0.02 0.00 0.00 55.36 56.02 1jed s GLN 458 Cb -0.01 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.20 1jed s GLN 458 CO -0.03 -2.64 -0.22 1.67 -2.12 0.00 0.00 175.29 171.95 1jed s TRP 459 N -3.04 2.41 0.35 0.91 -2.14 -1.26 -4.89 118.94 111.29 1jed s TRP 459 Ca 0.65 -0.32 -0.24 0.00 2.66 0.00 0.00 56.10 58.85 1jed s TRP 459 Cb -0.18 -1.26 -0.14 0.00 -3.10 0.00 0.00 33.47 28.79 1jed s TRP 459 CO 0.57 0.41 0.51 -1.91 -2.66 0.00 0.00 176.95 173.87 1jed n GLU 460 N 0.63 0.44 -0.05 3.25 4.07 -1.26 -4.81 120.64 122.92 1jed n GLU 460 Ca -0.15 0.16 -0.01 0.00 -0.06 0.00 0.00 57.16 57.10 1jed n GLU 460 Cb 0.54 -1.35 0.27 0.00 -0.06 0.00 0.00 31.44 30.84 1jed n GLU 460 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1jed h ASP 461 N 0.90 0.59 -0.03 4.31 5.19 -2.01 -1.75 116.42 123.62 1jed h ASP 461 Ca -0.37 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1jed h ASP 461 Cb 1.41 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1jed h ASP 461 CO 0.53 0.61 0.05 -2.24 -3.12 0.00 0.00 179.24 175.07 1jed h ASP 462 N 0.61 0.00 0.15 6.45 3.04 -2.04 -1.19 116.42 123.44 1jed h ASP 462 Ca 0.14 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1jed h ASP 462 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 1jed h ASP 462 CO 0.00 0.00 -0.70 0.29 -2.04 0.00 0.00 179.24 176.79 1jed n LYS 463 N -3.55 0.31 -0.34 4.15 4.76 -0.68 -4.52 118.16 118.30 1jed n LYS 463 Ca -0.02 -0.24 0.16 0.00 -2.87 0.00 0.00 58.31 55.34 1jed n LYS 463 Cb 0.13 -1.50 0.36 0.00 -1.84 0.00 0.00 35.03 32.18 1jed n LYS 463 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1jed h ASP 464 N 0.58 0.63 -0.99 4.39 3.58 -1.02 -0.76 116.42 122.84 1jed h ASP 464 Ca 0.00 0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.69 1jed h ASP 464 Cb 0.55 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.56 1jed h ASP 464 CO 0.00 0.11 0.63 0.77 -2.88 0.00 0.00 179.24 177.87 1jed h SER 465 N 0.58 0.92 -0.35 2.28 4.64 -1.79 -1.98 113.55 117.85 1jed h SER 465 Ca 0.62 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 62.08 1jed h SER 465 Cb 1.13 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1jed h SER 465 CO -0.47 0.52 0.33 0.58 -0.87 0.00 0.00 176.83 176.92 1jed h VAL 466 N 1.00 0.52 -3.10 0.95 2.07 -1.46 -3.42 116.25 112.81 1jed h VAL 466 Ca 0.47 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 67.38 1jed h VAL 466 Cb 0.43 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1jed h VAL 466 CO -0.23 0.00 -0.43 -0.69 0.02 0.00 0.00 177.57 176.24 1jed s VAL 467 N -4.74 5.39 -0.51 2.57 1.01 -0.74 -4.37 120.40 119.01 1jed s VAL 467 Ca -0.05 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1jed s VAL 467 Cb 0.17 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1jed s VAL 467 CO 0.60 0.48 1.13 -0.83 0.00 0.00 0.00 175.10 176.48 1jed s GLY 468 N -0.05 1.27 0.43 4.51 0.00 -1.26 -4.92 107.32 107.29 1jed s GLY 468 Ca 0.13 -0.61 0.18 0.00 0.00 0.00 0.00 44.72 44.42 1jed s GLY 468 CO 0.02 2.40 1.48 0.07 0.00 0.00 0.00 173.10 177.07 1jed h LYS 469 N 9.31 0.00 -6.65 2.90 -0.00 -1.95 -3.45 116.57 116.74 1jed h LYS 469 Ca -0.24 0.00 -0.52 0.00 -0.00 0.00 0.00 60.65 59.89 1jed h LYS 469 Cb 1.06 0.00 0.06 0.00 -0.00 0.00 0.00 32.23 33.35 1jed h LYS 469 CO 1.14 0.00 1.00 -1.14 -0.00 0.00 0.00 179.45 180.45 1jed s GLN 470 N -3.56 4.13 -1.42 0.07 0.74 -1.26 -2.49 119.66 115.87 1jed s GLN 470 Ca -0.02 2.58 -0.02 0.00 0.05 0.00 0.00 55.36 57.96 1jed s GLN 470 Cb 0.05 -3.10 0.01 0.00 1.10 0.00 0.00 33.01 31.07 1jed s GLN 470 CO 0.16 -0.74 0.14 0.09 -0.55 0.00 0.00 175.29 174.39 1jed n ASN 471 N 4.05 -4.97 -4.16 6.67 5.03 -1.26 -4.88 115.26 115.74 1jed n ASN 471 Ca 0.16 -0.01 -0.36 0.00 0.87 0.00 0.00 54.58 55.24 1jed n ASN 471 Cb 0.36 -4.14 -0.12 0.00 -1.02 0.00 0.00 39.78 34.86 1jed n ASN 471 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jed s VAL 472 N -2.89 3.32 -0.09 2.41 1.01 -1.04 -0.62 120.40 122.51 1jed s VAL 472 Ca 0.08 -1.75 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 1jed s VAL 472 Cb -0.04 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1jed s VAL 472 CO 0.10 -0.48 0.05 -0.31 0.00 0.00 0.00 175.10 174.46 1jed s TYR 473 N 1.21 3.30 -0.24 5.22 1.51 0.21 -4.98 117.35 123.59 1jed s TYR 473 Ca 0.04 0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 56.29 1jed s TYR 473 Cb -0.22 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1jed s TYR 473 CO -0.02 0.56 0.14 -1.17 -1.11 0.00 0.00 175.55 173.94 1jed s LEU 474 N -0.99 4.00 -0.40 -1.29 1.98 -1.26 -0.54 118.68 120.18 1jed s LEU 474 Ca 0.14 0.06 -0.14 0.00 -2.89 0.00 0.00 54.13 51.31 1jed s LEU 474 Cb -0.12 -2.07 0.02 0.00 0.66 0.00 0.00 46.19 44.68 1jed s LEU 474 CO 0.04 0.06 0.28 -0.22 -1.89 0.00 0.00 176.35 174.62 1jed s LEU 475 N 1.09 5.01 0.19 -0.68 2.96 0.23 -0.74 118.68 126.74 1jed s LEU 475 Ca 0.07 -0.88 -0.24 0.00 -0.22 0.00 0.00 54.13 52.86 1jed s LEU 475 Cb -0.14 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.47 1jed s LEU 475 CO 0.04 -0.42 0.84 -0.62 -1.32 0.00 0.00 176.35 174.87 1jed s ASP 476 N 1.66 -0.25 0.34 3.68 2.15 -0.92 0.23 116.67 123.56 1jed s ASP 476 Ca 0.05 -0.42 0.24 0.00 0.43 0.00 0.00 52.55 52.85 1jed s ASP 476 Cb -0.19 0.58 0.43 0.00 -0.30 0.00 0.00 42.92 43.44 1jed s ASP 476 CO 0.10 -1.05 1.58 0.71 -0.17 0.00 0.00 175.17 176.33 1jed h THR 477 N 2.00 0.00 -2.79 1.71 1.35 -1.88 0.20 112.91 113.51 1jed h THR 477 Ca -0.23 -0.84 -0.59 0.00 -0.55 0.00 0.00 66.41 64.21 1jed h THR 477 Cb 1.24 1.76 0.12 0.00 -1.73 0.00 0.00 68.15 69.54 1jed h THR 477 CO 0.26 0.00 0.22 -0.24 -0.25 0.00 0.00 175.52 175.51 1jed n SER 478 N -2.79 1.60 0.20 5.36 2.88 -1.26 -4.70 113.62 114.91 1jed n SER 478 Ca 0.04 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.79 1jed n SER 478 Cb 0.50 -1.35 0.53 0.00 -0.75 0.00 0.00 64.21 63.15 1jed n SER 478 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1jed h SER 479 N 2.01 0.08 -0.63 -3.46 4.64 -1.98 -2.30 113.55 111.90 1jed h SER 479 Ca -0.42 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.49 1jed h SER 479 Cb 1.33 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.21 1jed h SER 479 CO 0.60 0.15 0.52 -1.54 -0.87 0.00 0.00 176.83 175.69 1jed n SER 480 N -4.42 5.85 -4.78 4.97 3.41 -1.26 -4.90 113.62 112.49 1jed n SER 480 Ca -0.02 -3.21 -0.32 0.00 -0.26 0.00 0.00 58.87 55.06 1jed n SER 480 Cb 0.17 -0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 63.11 1jed n SER 480 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jed s ALA 481 N -2.33 3.57 0.11 7.33 0.00 -0.87 -5.00 121.76 124.58 1jed s ALA 481 Ca 0.40 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 1jed s ALA 481 Cb 0.32 -1.53 -0.10 0.00 0.00 0.00 0.00 23.12 21.81 1jed s ALA 481 CO 0.02 0.71 1.38 -0.44 0.00 0.00 0.00 175.76 177.43 1jed h ASP 482 N 3.87 0.87 -3.71 0.00 3.32 -1.27 -3.37 116.42 116.13 1jed h ASP 482 Ca -0.48 -0.53 -0.66 0.00 0.02 0.00 0.00 57.03 55.37 1jed h ASP 482 Cb 1.18 -0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.08 1jed h ASP 482 CO 0.63 1.24 -0.72 -0.63 -1.72 0.00 0.00 179.24 178.03 1jed s ILE 483 N -4.13 2.30 -0.09 0.35 1.01 -0.40 -4.96 121.20 115.28 1jed s ILE 483 Ca -0.11 -2.24 -0.28 0.00 0.00 0.00 0.00 60.65 58.02 1jed s ILE 483 Cb 0.09 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1jed s ILE 483 CO 0.87 -0.52 0.93 -1.58 0.00 0.00 0.00 174.94 174.63 1jed s GLN 484 N 0.94 4.43 0.39 2.79 0.74 -1.26 -2.16 119.66 125.53 1jed s GLN 484 Ca 0.08 1.26 -0.10 0.00 0.05 0.00 0.00 55.36 56.65 1jed s GLN 484 Cb -0.19 -3.52 -0.06 0.00 1.10 0.00 0.00 33.01 30.34 1jed s GLN 484 CO -0.07 -0.20 0.75 -0.51 -0.55 0.00 0.00 175.29 174.70 1jed s LEU 485 N 1.63 3.86 0.07 3.68 1.43 0.71 -4.93 118.68 125.13 1jed s LEU 485 Ca 0.46 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 54.49 1jed s LEU 485 Cb -0.19 -3.97 -0.15 0.00 0.03 0.00 0.00 46.19 41.92 1jed s LEU 485 CO 0.19 -0.38 1.30 -0.08 0.23 0.00 0.00 176.35 177.61 1jed h GLU 486 N 1.31 0.60 -2.91 1.70 4.81 -1.94 -3.40 114.58 114.75 1jed h GLU 486 Ca -0.47 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.26 1jed h GLU 486 Cb 1.19 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.47 1jed h GLU 486 CO 0.64 1.05 -0.07 -1.54 -0.73 0.00 0.00 179.01 178.35 1jed s SER 487 N -6.67 -0.33 0.55 1.04 1.04 -1.26 -5.03 113.70 103.04 1jed s SER 487 Ca -0.12 0.09 0.22 0.00 0.48 0.00 0.00 55.95 56.62 1jed s SER 487 Cb 0.07 0.43 1.46 0.00 0.10 0.00 0.00 66.02 68.08 1jed s SER 487 CO 0.83 -0.65 2.14 0.00 0.98 0.00 0.00 173.24 176.54 1jed h ALA 488 N 3.05 1.96 -0.20 5.32 0.00 -1.90 -1.82 119.26 125.68 1jed h ALA 488 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jed h ALA 488 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jed h ALA 488 CO 0.42 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1jed n ASP 489 N -4.26 2.19 -4.54 0.00 5.68 -1.26 -1.19 116.55 113.16 1jed n ASP 489 Ca -0.00 -1.79 -0.52 0.00 -0.50 0.00 0.00 54.79 51.98 1jed n ASP 489 Cb 0.21 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.01 1jed n ASP 489 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1jed n GLU 490 N 0.67 0.71 -1.72 0.11 2.13 -0.69 -4.84 120.64 117.02 1jed n GLU 490 Ca 0.17 0.25 -0.42 0.00 0.66 0.00 0.00 57.16 57.82 1jed n GLU 490 Cb 0.42 -1.73 -0.01 0.00 0.27 0.00 0.00 31.44 30.39 1jed n GLU 490 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jed n PRO 491 N 1.78 2.30 -0.18 5.31 -0.04 -1.26 -4.77 135.00 138.14 1jed n PRO 491 Ca 0.17 0.81 -0.09 0.00 -0.04 0.00 0.00 63.50 64.36 1jed n PRO 491 Cb 0.19 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1jed n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jed h ILE 492 N 2.80 0.09 -0.90 0.52 2.04 -2.00 0.55 117.51 120.62 1jed h ILE 492 Ca -0.47 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.60 1jed h ILE 492 Cb 1.27 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1jed h ILE 492 CO 0.67 0.00 0.60 0.77 0.00 0.00 0.00 178.15 180.18 1jed h SER 493 N -0.26 0.38 -0.23 1.72 4.64 -1.99 0.31 113.55 118.13 1jed h SER 493 Ca 0.17 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1jed h SER 493 Cb 0.57 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1jed h SER 493 CO -0.66 0.15 -0.07 0.45 -0.87 0.00 0.00 176.83 175.84 1jed h HIS 494 N 0.38 0.51 -0.40 4.77 3.86 -1.28 -2.35 115.15 120.65 1jed h HIS 494 Ca 0.47 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1jed h HIS 494 Cb 1.20 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1jed h HIS 494 CO -0.00 0.69 0.23 0.82 0.86 0.00 0.00 177.93 180.53 1jed h ILE 495 N 0.18 1.14 -0.75 2.45 2.04 0.00 -2.16 117.51 120.41 1jed h ILE 495 Ca 0.06 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.67 1jed h ILE 495 Cb 0.53 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1jed h ILE 495 CO 0.02 0.14 0.41 0.58 0.00 0.00 0.00 178.15 179.30 1jed h VAL 496 N 0.51 0.89 -0.23 1.67 2.07 -0.40 -0.72 116.25 120.05 1jed h VAL 496 Ca 0.14 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1jed h VAL 496 Cb 0.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1jed h VAL 496 CO -0.02 0.13 0.03 -0.61 0.02 0.00 0.00 177.57 177.11 1jed h GLN 497 N 0.69 0.38 -0.45 1.57 4.15 -1.13 -0.02 115.11 120.30 1jed h GLN 497 Ca 0.36 -0.11 0.09 0.00 0.77 0.00 0.00 58.65 59.76 1jed h GLN 497 Cb 0.33 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 1jed h GLN 497 CO -0.25 0.53 -0.00 0.87 -1.93 0.00 0.00 178.83 178.05 1jed h LYS 498 N 0.18 0.10 -0.24 1.69 1.57 -0.72 0.41 116.57 119.57 1jed h LYS 498 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1jed h LYS 498 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1jed h LYS 498 CO 0.01 0.07 0.09 0.28 -0.57 0.00 0.00 179.45 179.33 1jed h VAL 499 N 0.11 1.17 0.02 0.50 2.07 -0.90 -0.69 116.25 118.53 1jed h VAL 499 Ca 0.22 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1jed h VAL 499 Cb 0.33 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1jed h VAL 499 CO -0.38 0.18 -0.12 0.58 0.02 0.00 0.00 177.57 177.85 1jed h VAL 500 N 0.23 0.70 -0.37 2.57 2.07 -0.46 -0.25 116.25 120.75 1jed h VAL 500 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jed h VAL 500 Cb 0.19 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1jed h VAL 500 CO -0.01 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.63 1jed h LEU 501 N -0.22 0.48 0.12 2.57 3.38 -0.87 0.12 115.31 120.89 1jed h LEU 501 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jed h LEU 501 Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1jed h LEU 501 CO -0.10 0.47 -0.06 0.15 0.09 0.00 0.00 178.44 178.99 1jed h PHE 502 N 0.53 -0.15 -0.43 1.13 3.57 -0.43 0.11 116.94 121.27 1jed h PHE 502 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1jed h PHE 502 Cb 0.17 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1jed h PHE 502 CO 0.01 0.05 0.11 -0.07 -2.23 0.00 0.00 178.31 176.17 1jed h LEU 503 N -0.32 0.59 -0.52 0.59 3.38 -0.66 -1.78 115.31 116.59 1jed h LEU 503 Ca -0.02 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1jed h LEU 503 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jed h LEU 503 CO 0.03 0.59 -0.69 -0.08 0.09 0.00 0.00 178.44 178.37 1jed h GLU 504 N 0.63 0.24 0.00 1.13 4.22 -0.58 -0.63 114.58 119.59 1jed h GLU 504 Ca 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1jed h GLU 504 Cb 0.23 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jed h GLU 504 CO -0.00 0.84 -0.10 0.22 -2.18 0.00 0.00 179.01 177.79 1jed h ASP 505 N 0.17 0.00 -0.53 1.04 -0.00 -0.19 -2.91 116.42 114.00 1jed h ASP 505 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 56.98 1jed h ASP 505 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.55 1jed h ASP 505 CO 0.11 0.10 0.04 0.59 -0.00 0.00 0.00 179.24 180.07 1jed n ASN 506 N -3.23 5.19 0.00 2.28 4.13 -0.72 -4.96 115.26 117.95 1jed n ASN 506 Ca 0.01 -3.01 0.00 0.00 1.68 0.00 0.00 54.58 53.25 1jed n ASN 506 Cb 0.37 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 1jed n ASN 506 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jed n GLY 507 N 0.24 1.32 0.21 7.41 0.00 -1.10 -4.87 105.19 108.40 1jed n GLY 507 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1jed n GLY 507 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jed h PHE 508 N 0.00 0.41 -4.23 1.61 -1.00 -1.31 -0.39 116.94 112.03 1jed h PHE 508 Ca 0.00 -0.11 -0.69 0.00 2.81 0.00 0.00 57.97 59.98 1jed h PHE 508 Cb 0.00 -0.09 -0.29 0.00 3.61 0.00 0.00 35.95 39.18 1jed h PHE 508 CO 0.00 0.70 -0.86 -0.06 -1.61 0.00 0.00 178.31 176.48 1jed s PHE 509 N -4.20 2.47 -0.07 -0.55 0.08 -1.17 -4.38 117.98 110.17 1jed s PHE 509 Ca -0.05 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1jed s PHE 509 Cb 0.13 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1jed s PHE 509 CO 0.79 -0.06 0.00 0.08 -0.10 0.00 0.00 175.22 175.93 1jed s VAL 510 N -0.44 0.35 -1.62 -0.44 1.01 -1.26 -4.53 120.40 113.46 1jed s VAL 510 Ca 0.05 0.13 0.13 0.00 0.00 0.00 0.00 61.98 62.28 1jed s VAL 510 Cb -0.12 -0.51 0.10 0.00 0.00 0.00 0.00 36.38 35.86 1jed s VAL 510 CO 0.01 0.25 0.91 0.49 0.00 0.00 0.00 175.10 176.76