#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jee s ALA 3 N 0.00 3.58 0.64 3.55 0.00 -1.26 -4.86 121.76 123.41 1jee s ALA 3 Ca 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1jee s ALA 3 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1jee s ALA 3 CO 0.00 -0.77 0.94 -0.35 0.00 0.00 0.00 175.76 175.59 1jee n PRO 4 N 1.45 0.77 -1.67 0.00 -0.04 -1.26 -4.75 135.00 129.50 1jee n PRO 4 Ca 0.03 0.31 -0.47 0.00 -0.04 0.00 0.00 63.50 63.33 1jee n PRO 4 Cb 0.41 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1jee n PRO 4 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1jee n HIS 5 N -1.96 2.31 -0.08 0.54 -0.00 -1.26 0.25 115.22 115.03 1jee n HIS 5 Ca 0.14 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1jee n HIS 5 Cb 0.48 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1jee n HIS 5 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jee n GLY 6 N 3.88 0.73 1.67 1.57 0.00 -1.26 -2.76 105.19 109.01 1jee n GLY 6 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1jee n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jee n GLY 7 N -2.00 2.81 3.08 -0.02 0.00 0.14 -4.99 105.19 104.22 1jee n GLY 7 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1jee n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jee s ILE 8 N -1.77 1.81 -0.04 -0.61 1.01 -1.26 -4.51 121.20 115.84 1jee s ILE 8 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 1jee s ILE 8 Cb 0.00 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1jee s ILE 8 CO 0.00 0.50 1.66 -0.22 0.00 0.00 0.00 174.94 176.88 1jee s LEU 9 N 1.24 4.33 -0.93 2.97 2.96 -1.26 -4.81 118.68 123.17 1jee s LEU 9 Ca 0.02 2.26 -0.06 0.00 -0.22 0.00 0.00 54.13 56.13 1jee s LEU 9 Cb -0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.04 1jee s LEU 9 CO -0.09 -0.92 2.76 0.00 -1.32 0.00 0.00 176.35 176.78 1jee n GLN 10 N 7.04 3.46 -2.26 1.98 1.13 -1.26 -4.88 117.38 122.58 1jee n GLN 10 Ca 0.17 -2.60 -0.33 0.00 -1.94 0.00 0.00 57.00 52.30 1jee n GLN 10 Cb 0.43 -2.43 -0.04 0.00 0.11 0.00 0.00 30.24 28.31 1jee n GLN 10 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jee s ASP 11 N 0.87 5.72 0.56 1.08 -1.08 -1.26 -3.06 116.67 119.50 1jee s ASP 11 Ca 0.60 -1.31 0.34 0.00 -0.52 0.00 0.00 52.55 51.66 1jee s ASP 11 Cb 0.26 -2.57 1.61 0.00 -1.46 0.00 0.00 42.92 40.76 1jee s ASP 11 CO -0.12 -2.26 2.09 -0.07 0.52 0.00 0.00 175.17 175.33 1jee h LEU 12 N 15.76 0.00 -0.20 -1.34 3.38 -0.92 -0.34 115.31 131.66 1jee h LEU 12 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1jee h LEU 12 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jee h LEU 12 CO 1.31 0.05 0.03 0.40 0.09 0.00 0.00 178.44 180.32 1jee h ILE 13 N 0.00 1.22 0.50 1.22 1.08 -1.83 0.45 117.51 120.15 1jee h ILE 13 Ca -0.00 -0.74 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 1jee h ILE 13 Cb 0.37 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1jee h ILE 13 CO 0.01 0.23 -0.24 0.00 -0.69 0.00 0.00 178.15 177.46 1jee h ALA 14 N 0.83 -0.67 -0.57 1.87 0.00 -1.69 -2.56 119.26 116.48 1jee h ALA 14 Ca 0.06 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1jee h ALA 14 Cb 0.31 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1jee h ALA 14 CO 0.00 -0.81 -0.15 -0.09 0.00 0.00 0.00 179.25 178.20 1jee h ARG 15 N -0.78 -0.00 -0.37 0.00 2.43 -0.99 -2.48 114.38 112.19 1jee h ARG 15 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1jee h ARG 15 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1jee h ARG 15 CO 0.11 -0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.32 1jee n ASP 16 N -5.40 2.18 -0.38 -3.80 10.43 0.14 -4.65 116.55 115.08 1jee n ASP 16 Ca 0.06 -1.94 -0.06 0.00 2.57 0.00 0.00 54.79 55.42 1jee n ASP 16 Cb 0.30 -0.25 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 1jee n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jee n ALA 17 N 0.68 -0.36 0.67 2.24 0.00 -0.93 -0.31 120.51 122.50 1jee n ALA 17 Ca 0.15 0.87 0.07 0.00 0.00 0.00 0.00 53.44 54.52 1jee n ALA 17 Cb 0.36 -0.27 0.35 0.00 0.00 0.00 0.00 19.45 19.89 1jee n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jee n LEU 18 N -5.28 0.00 -0.60 0.00 4.32 -1.26 -1.32 117.00 112.86 1jee n LEU 18 Ca 0.06 0.22 0.09 0.00 -0.02 0.00 0.00 56.01 56.36 1jee n LEU 18 Cb 0.31 -0.22 0.04 0.00 -1.62 0.00 0.00 43.42 41.93 1jee n LEU 18 CO -0.14 -0.13 0.42 0.29 -1.22 0.00 0.00 177.39 176.62 1jee n LYS 19 N -1.22 1.61 -0.10 3.23 5.02 0.58 -4.66 118.16 122.62 1jee n LYS 19 Ca 0.07 -1.28 -0.10 0.00 -2.02 0.00 0.00 58.31 54.98 1jee n LYS 19 Cb 0.09 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 1jee n LYS 19 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jee h LYS 20 N 2.93 -0.28 -0.62 1.97 1.63 -0.91 0.40 116.57 121.69 1jee h LYS 20 Ca 0.00 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1jee h LYS 20 Cb 0.71 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.35 1jee h LYS 20 CO 0.00 -0.19 0.33 -0.91 -3.45 0.00 0.00 179.45 175.23 1jee h ASN 21 N -0.29 0.46 0.13 4.20 -0.26 -1.83 0.59 115.58 118.59 1jee h ASN 21 Ca 0.05 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1jee h ASN 21 Cb 0.43 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1jee h ASN 21 CO -0.42 0.30 -0.06 -0.33 -1.06 0.00 0.00 177.43 175.85 1jee h GLU 22 N 0.60 -0.17 -0.96 0.81 3.07 -1.71 -1.76 114.58 114.46 1jee h GLU 22 Ca 0.28 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.25 1jee h GLU 22 Cb 0.21 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 1jee h GLU 22 CO -0.19 0.06 0.60 -0.07 -1.40 0.00 0.00 179.01 178.00 1jee h LEU 23 N -0.39 0.91 -1.10 1.33 3.38 0.03 -0.47 115.31 119.01 1jee h LEU 23 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jee h LEU 23 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1jee h LEU 23 CO 0.03 0.53 0.46 0.25 0.09 0.00 0.00 178.44 179.80 1jee h LEU 24 N 1.02 0.96 -0.22 1.67 6.46 -0.65 0.98 115.31 125.53 1jee h LEU 24 Ca 0.45 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 58.07 1jee h LEU 24 Cb 0.33 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1jee h LEU 24 CO -0.22 0.75 -0.16 -1.28 -0.62 0.00 0.00 178.44 176.91 1jee h SER 25 N 1.10 0.52 -0.75 1.25 0.87 -0.22 -2.53 113.55 113.79 1jee h SER 25 Ca 0.28 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1jee h SER 25 Cb -0.02 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 1jee h SER 25 CO -0.05 0.85 0.42 -0.08 -0.53 0.00 0.00 176.83 177.44 1jee h GLU 26 N 0.19 1.04 -0.80 2.24 4.81 -0.88 -1.76 114.58 119.41 1jee h GLU 26 Ca 0.04 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1jee h GLU 26 Cb 0.68 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1jee h GLU 26 CO 0.04 0.77 0.53 0.00 -0.73 0.00 0.00 179.01 179.62 1jee h ALA 27 N 1.22 1.64 -0.52 2.92 0.00 -0.69 -2.49 119.26 121.34 1jee h ALA 27 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jee h ALA 27 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jee h ALA 27 CO -0.04 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.47 1jee n GLN 28 N -4.49 2.59 -2.39 0.00 6.02 -0.94 -4.91 117.38 113.26 1jee n GLN 28 Ca 0.12 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.00 54.27 1jee n GLN 28 Cb 0.23 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 1jee n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jee s SER 29 N -1.32 7.13 0.02 1.08 1.04 -0.71 -4.91 113.70 116.03 1jee s SER 29 Ca 0.43 2.28 0.07 0.00 0.48 0.00 0.00 55.95 59.20 1jee s SER 29 Cb 0.24 -2.62 0.29 0.00 0.10 0.00 0.00 66.02 64.03 1jee s SER 29 CO 0.33 -0.30 1.21 -1.54 0.98 0.00 0.00 173.24 173.92 1jee n SER 30 N 1.90 0.04 -0.01 7.02 3.41 -1.26 -3.06 113.62 121.66 1jee n SER 30 Ca 0.02 0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 1jee n SER 30 Cb 0.44 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.74 1jee n SER 30 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jee h ASP 31 N 0.00 0.06 -4.05 4.04 5.19 -1.92 -3.48 116.42 116.26 1jee h ASP 31 Ca 0.00 -0.13 -0.52 0.00 -0.62 0.00 0.00 57.03 55.76 1jee h ASP 31 Cb 0.10 -0.02 0.10 0.00 0.18 0.00 0.00 39.33 39.69 1jee h ASP 31 CO 0.00 1.11 0.51 -0.51 -3.12 0.00 0.00 179.24 177.23 1jee s ILE 32 N -2.60 2.70 0.15 0.35 2.07 -1.17 -5.00 121.20 117.69 1jee s ILE 32 Ca -0.06 0.49 -0.28 0.00 -1.41 0.00 0.00 60.65 59.39 1jee s ILE 32 Cb 0.08 -3.23 -0.07 0.00 0.13 0.00 0.00 42.46 39.37 1jee s ILE 32 CO 0.82 -0.04 0.88 -0.22 -1.91 0.00 0.00 174.94 174.46 1jee s LEU 33 N -3.54 4.56 -0.06 8.50 2.96 -1.26 -4.92 118.68 124.92 1jee s LEU 33 Ca 0.71 1.75 0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1jee s LEU 33 Cb -0.32 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1jee s LEU 33 CO 0.37 0.09 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.57 1jee s VAL 34 N -0.66 2.33 -0.15 1.68 1.01 -1.26 -0.87 120.40 122.48 1jee s VAL 34 Ca 0.41 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1jee s VAL 34 Cb -0.24 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1jee s VAL 34 CO 0.28 0.57 -0.18 0.86 0.00 0.00 0.00 175.10 176.63 1jee s TRP 35 N -0.25 2.46 -0.32 5.22 -0.11 -0.74 -4.98 118.94 120.22 1jee s TRP 35 Ca -0.00 -1.32 -0.22 0.00 1.22 0.00 0.00 56.10 55.77 1jee s TRP 35 Cb -0.13 -1.72 -0.00 0.00 -1.50 0.00 0.00 33.47 30.12 1jee s TRP 35 CO 0.03 -0.65 0.74 1.21 -4.62 0.00 0.00 176.95 173.65 1jee s ASN 36 N 1.13 6.59 0.24 5.86 2.47 -1.26 -1.83 114.94 128.14 1jee s ASN 36 Ca -0.01 0.53 -0.31 0.00 0.42 0.00 0.00 52.86 53.48 1jee s ASN 36 Cb -0.14 -2.38 -0.13 0.00 -1.45 0.00 0.00 41.25 37.14 1jee s ASN 36 CO -0.07 -0.60 1.44 0.18 -3.72 0.00 0.00 177.10 174.33 1jee n LEU 37 N 6.15 3.24 -4.86 3.21 4.77 -0.03 -4.95 117.00 124.54 1jee n LEU 37 Ca 0.02 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 1jee n LEU 37 Cb 0.48 -1.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1jee n LEU 37 CO 0.50 -0.40 0.73 0.42 -1.33 0.00 0.00 177.39 177.31 1jee s THR 38 N 0.03 3.60 0.17 -5.08 -4.23 -1.26 -4.75 115.64 104.11 1jee s THR 38 Ca 0.69 0.52 -0.16 0.00 -1.18 0.00 0.00 61.69 61.55 1jee s THR 38 Cb -0.63 -3.42 0.11 0.00 1.34 0.00 0.00 72.50 69.89 1jee s THR 38 CO 0.48 -0.68 1.67 -0.65 -0.54 0.00 0.00 174.62 174.91 1jee h PRO 39 N -0.73 0.03 -0.53 3.99 0.11 -1.99 0.68 132.00 133.55 1jee h PRO 39 Ca -0.45 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1jee h PRO 39 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1jee h PRO 39 CO 0.62 0.02 0.10 -0.09 -0.21 0.00 0.00 178.00 178.44 1jee h ARG 40 N 0.03 0.83 -0.30 1.05 2.43 -1.96 -2.07 114.38 114.38 1jee h ARG 40 Ca 0.21 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1jee h ARG 40 Cb 0.32 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1jee h ARG 40 CO -0.42 0.77 -0.01 1.96 -1.51 0.00 0.00 179.97 180.76 1jee h GLN 41 N 0.80 0.47 -0.43 0.20 4.20 -1.55 -1.12 115.11 117.67 1jee h GLN 41 Ca 0.17 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1jee h GLN 41 Cb 0.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1jee h GLN 41 CO 0.00 0.50 0.12 -0.07 -0.67 0.00 0.00 178.83 178.71 1jee h LEU 42 N 0.45 0.59 -0.14 1.46 3.38 -0.22 0.32 115.31 121.15 1jee h LEU 42 Ca 0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1jee h LEU 42 Cb 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jee h LEU 42 CO 0.01 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 1jee h ASP 44 N -0.05 -0.13 -0.81 0.00 3.45 -0.91 -2.77 116.42 115.20 1jee h ASP 44 Ca 0.03 -0.14 0.14 0.00 0.43 0.00 0.00 57.03 57.49 1jee h ASP 44 Cb 0.57 0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.31 1jee h ASP 44 CO 0.02 0.06 0.53 -0.29 -1.57 0.00 0.00 179.24 177.99 1jee h ILE 45 N -0.32 0.83 -0.12 0.35 6.09 -0.42 0.47 117.51 124.39 1jee h ILE 45 Ca -0.02 -0.19 -0.14 0.00 -1.37 0.00 0.00 64.86 63.14 1jee h ILE 45 Cb 0.26 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 37.76 1jee h ILE 45 CO 0.03 0.10 -0.54 -0.08 -3.07 0.00 0.00 178.15 174.59 1jee h GLU 46 N 0.56 0.36 0.00 2.19 4.81 -1.27 -0.54 114.58 120.68 1jee h GLU 46 Ca 0.40 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1jee h GLU 46 Cb 0.74 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1jee h GLU 46 CO -0.15 0.81 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.75 1jee h LEU 47 N 0.28 0.00 0.11 1.64 -0.00 -0.72 -2.71 115.31 113.90 1jee h LEU 47 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.71 1jee h LEU 47 Cb 1.04 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.71 1jee h LEU 47 CO 0.09 0.12 -0.81 0.40 -0.00 0.00 0.00 178.44 178.24 1jee h ILE 48 N 0.00 1.44 0.00 1.22 2.04 -0.68 0.01 117.51 121.54 1jee h ILE 48 Ca -0.00 -2.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.32 1jee h ILE 48 Cb 1.01 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 1jee h ILE 48 CO 0.02 0.68 -0.34 -0.07 0.00 0.00 0.00 178.15 178.43 1jee h LEU 49 N -0.49 0.00 -0.90 1.44 3.38 -1.14 -3.11 115.31 114.49 1jee h LEU 49 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jee h LEU 49 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1jee h LEU 49 CO 0.09 0.34 -0.10 -0.46 0.09 0.00 0.00 178.44 178.40 1jee n ASN 50 N -3.95 1.49 0.00 -0.43 0.23 -1.02 -0.29 115.26 111.29 1jee n ASN 50 Ca -0.02 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1jee n ASN 50 Cb 0.40 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1jee n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jee n GLY 51 N 1.25 0.19 0.36 4.83 0.00 -1.17 -4.30 105.19 106.35 1jee n GLY 51 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 1jee n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jee h GLY 52 N 0.00 0.00 -2.77 -0.02 0.00 -1.49 -0.86 103.07 97.93 1jee h GLY 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1jee h GLY 52 CO 0.00 0.00 0.11 0.69 0.00 0.00 0.00 176.54 177.34 1jee n PHE 53 N -4.37 1.75 -1.62 5.60 3.72 -0.13 -4.53 117.46 117.88 1jee n PHE 53 Ca 0.07 -1.13 -0.43 0.00 -0.05 0.00 0.00 57.45 55.91 1jee n PHE 53 Cb 0.50 -0.53 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 1jee n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jee n SER 54 N -0.36 1.69 -0.14 4.37 7.64 -0.33 0.29 113.62 126.77 1jee n SER 54 Ca 0.33 1.17 0.06 0.00 1.01 0.00 0.00 58.87 61.43 1jee n SER 54 Cb 1.17 -1.35 0.30 0.00 -1.01 0.00 0.00 64.21 63.32 1jee n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jee n PRO 55 N 0.59 1.18 -1.69 1.43 -0.04 -1.11 -4.48 135.00 130.87 1jee n PRO 55 Ca 0.08 -0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 62.89 1jee n PRO 55 Cb 0.34 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1jee n PRO 55 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jee n LEU 56 N -0.41 4.78 -0.33 1.53 4.32 0.14 -4.93 117.00 122.10 1jee n LEU 56 Ca 0.09 0.92 0.00 0.00 -0.02 0.00 0.00 56.01 57.01 1jee n LEU 56 Cb 0.10 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.40 1jee n LEU 56 CO 0.07 -1.07 0.26 0.35 -1.22 0.00 0.00 177.39 175.79 1jee n THR 57 N -1.26 0.08 -2.55 -5.08 -2.24 -1.26 -4.86 114.28 97.10 1jee n THR 57 Ca 0.12 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1jee n THR 57 Cb 0.45 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1jee n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jee n GLY 58 N -0.05 -1.28 3.77 3.38 0.00 -1.26 -0.57 105.19 109.17 1jee n GLY 58 Ca 0.01 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1jee n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jee s PHE 59 N -2.81 3.70 0.02 1.61 0.40 -0.49 -4.94 117.98 115.46 1jee s PHE 59 Ca 0.00 1.21 -0.36 0.00 -0.60 0.00 0.00 56.93 57.18 1jee s PHE 59 Cb 0.00 -2.60 -0.15 0.00 0.51 0.00 0.00 43.02 40.77 1jee s PHE 59 CO 0.00 0.37 1.52 1.28 0.70 0.00 0.00 175.22 179.09 1jee n LEU 60 N 2.63 2.29 -4.88 -0.37 4.77 -0.40 -1.40 117.00 119.63 1jee n LEU 60 Ca -0.07 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.71 1jee n LEU 60 Cb 0.51 -1.25 0.13 0.00 -2.33 0.00 0.00 43.42 40.48 1jee n LEU 60 CO 0.43 -0.67 0.80 0.54 -1.33 0.00 0.00 177.39 177.17 1jee s ASN 61 N 1.48 3.80 0.28 -1.43 6.03 -1.26 -3.93 114.94 119.91 1jee s ASN 61 Ca 0.86 0.65 0.00 0.00 -1.03 0.00 0.00 52.86 53.35 1jee s ASN 61 Cb -0.89 -1.01 0.51 0.00 -3.03 0.00 0.00 41.25 36.83 1jee s ASN 61 CO 0.49 -2.34 1.87 -0.08 -2.03 0.00 0.00 177.10 175.01 1jee h GLU 62 N -1.36 1.03 -0.16 3.55 4.81 -1.94 0.13 114.58 120.63 1jee h GLU 62 Ca -0.46 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1jee h GLU 62 Cb 1.30 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1jee h GLU 62 CO 0.56 0.68 0.09 -0.97 -0.73 0.00 0.00 179.01 178.64 1jee h ASN 63 N 1.06 0.20 -0.14 1.04 -0.00 -1.99 -0.59 115.58 115.17 1jee h ASN 63 Ca 0.45 -0.07 -0.22 0.00 -0.00 0.00 0.00 56.30 56.45 1jee h ASN 63 Cb 0.32 -0.05 0.01 0.00 -0.00 0.00 0.00 38.32 38.60 1jee h ASN 63 CO -0.20 0.22 -0.79 0.44 -0.00 0.00 0.00 177.43 177.09 1jee h ASP 64 N 0.17 0.94 -0.29 1.15 3.45 -1.86 -2.95 116.42 117.03 1jee h ASP 64 Ca 0.06 -0.62 0.04 0.00 0.43 0.00 0.00 57.03 56.94 1jee h ASP 64 Cb 0.06 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 1jee h ASP 64 CO -0.01 1.42 0.07 0.22 -1.57 0.00 0.00 179.24 179.37 1jee h TYR 65 N 0.53 0.13 0.00 4.55 3.20 -0.60 -0.94 116.97 123.84 1jee h TYR 65 Ca -0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1jee h TYR 65 Cb 1.42 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1jee h TYR 65 CO 0.09 0.04 -0.29 0.66 -1.64 0.00 0.00 178.16 177.02 1jee h SER 66 N 0.19 0.00 0.25 -2.11 4.64 -1.19 -1.72 113.55 113.61 1jee h SER 66 Ca 0.13 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1jee h SER 66 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1jee h SER 66 CO -0.16 0.29 -0.66 -1.28 -0.87 0.00 0.00 176.83 174.15 1jee h SER 67 N 0.00 0.44 -0.04 4.97 0.87 -1.24 -1.49 113.55 117.06 1jee h SER 67 Ca -0.00 -0.27 -0.21 0.00 -1.23 0.00 0.00 61.79 60.08 1jee h SER 67 Cb 0.87 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1jee h SER 67 CO 0.04 0.97 -0.73 0.58 -0.53 0.00 0.00 176.83 177.16 1jee h VAL 68 N 0.27 1.31 0.27 2.23 2.07 -0.41 0.33 116.25 122.31 1jee h VAL 68 Ca -0.02 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1jee h VAL 68 Cb 1.21 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1jee h VAL 68 CO 0.11 0.62 -0.13 0.58 0.02 0.00 0.00 177.57 178.78 1jee h VAL 69 N 0.48 0.78 0.00 2.57 2.07 -1.17 -2.16 116.25 118.81 1jee h VAL 69 Ca -0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jee h VAL 69 Cb 1.34 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1jee h VAL 69 CO 0.15 0.06 -0.94 0.35 0.02 0.00 0.00 177.57 177.21 1jee n THR 70 N -5.18 0.29 -0.12 2.57 -2.24 -0.57 -4.54 114.28 104.48 1jee n THR 70 Ca -0.10 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jee n THR 70 Cb 0.21 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1jee n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jee n ASP 71 N -2.12 0.37 -2.06 3.42 10.43 0.11 -5.00 116.55 121.70 1jee n ASP 71 Ca 0.02 -0.68 -0.20 0.00 2.57 0.00 0.00 54.79 56.50 1jee n ASP 71 Cb 0.46 0.39 -0.04 0.00 1.84 0.00 0.00 41.12 43.77 1jee n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1jee n SER 72 N -0.39 -5.53 -3.84 -2.24 7.64 -0.81 -4.94 113.62 103.51 1jee n SER 72 Ca 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 1jee n SER 72 Cb 0.03 -4.73 -0.08 0.00 -1.01 0.00 0.00 64.21 58.42 1jee n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jee s ARG 73 N -4.48 0.68 0.97 1.43 0.52 -1.12 -0.59 118.95 116.37 1jee s ARG 73 Ca 0.00 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 1jee s ARG 73 Cb 0.00 0.28 0.17 0.00 0.52 0.00 0.00 34.95 35.92 1jee s ARG 73 CO 0.00 -0.20 1.11 -0.51 0.02 0.00 0.00 175.30 175.73 1jee s LEU 74 N -2.02 1.74 0.36 2.53 1.43 0.40 -1.83 118.68 121.30 1jee s LEU 74 Ca -0.06 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 1jee s LEU 74 Cb -0.02 -3.32 0.80 0.00 0.03 0.00 0.00 46.19 43.68 1jee s LEU 74 CO -0.03 -2.92 1.91 0.00 0.23 0.00 0.00 176.35 175.55 1jee h ALA 75 N -1.75 1.79 -0.02 4.21 0.00 -1.80 -1.06 119.26 120.64 1jee h ALA 75 Ca -0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jee h ALA 75 Cb 1.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jee h ALA 75 CO 0.59 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1jee n ASP 76 N -4.51 0.14 0.00 0.00 3.85 -1.26 -4.89 116.55 109.88 1jee n ASP 76 Ca 0.14 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.51 1jee n ASP 76 Cb 0.36 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 1jee n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jee n GLY 77 N 0.69 2.53 3.68 6.12 0.00 -0.40 -5.04 105.19 112.76 1jee n GLY 77 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1jee n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jee n THR 78 N -2.00 0.30 -1.65 2.61 -1.04 -1.26 -4.59 114.28 106.64 1jee n THR 78 Ca 0.00 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1jee n THR 78 Cb 0.00 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 66.64 1jee n THR 78 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jee n LEU 79 N 5.12 3.65 -3.42 -4.42 7.94 -1.26 -0.45 117.00 124.15 1jee n LEU 79 Ca 0.19 0.79 -0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1jee n LEU 79 Cb 0.32 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 1jee n LEU 79 CO 0.67 -0.08 0.17 0.86 -1.11 0.00 0.00 177.39 177.90 1jee s TRP 80 N 5.10 -1.36 -0.72 1.96 -0.11 0.25 -4.87 118.94 119.18 1jee s TRP 80 Ca 0.94 1.88 0.22 0.00 1.22 0.00 0.00 56.10 60.36 1jee s TRP 80 Cb -0.54 0.60 -0.11 0.00 -1.50 0.00 0.00 33.47 31.92 1jee s TRP 80 CO 0.45 -0.74 0.91 0.25 -4.62 0.00 0.00 176.95 173.20 1jee n THR 81 N 5.43 0.05 -4.54 5.86 -2.24 -1.26 -2.79 114.28 114.79 1jee n THR 81 Ca -0.06 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1jee n THR 81 Cb 0.50 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.10 1jee n THR 81 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jee s ILE 82 N -3.15 2.19 0.04 2.28 -1.09 -1.26 -4.92 121.20 115.29 1jee s ILE 82 Ca 0.04 -0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 1jee s ILE 82 Cb 0.15 -1.89 -0.06 0.00 -1.58 0.00 0.00 42.46 39.08 1jee s ILE 82 CO 0.84 0.54 1.30 -2.16 -1.23 0.00 0.00 174.94 174.24 1jee s PRO 83 N 0.91 4.35 -0.36 2.79 0.04 -1.26 -4.99 135.00 136.48 1jee s PRO 83 Ca -0.04 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 1jee s PRO 83 Cb -0.15 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.02 1jee s PRO 83 CO -0.04 -0.42 0.13 0.42 0.04 0.00 0.00 177.00 177.13 1jee s ILE 84 N 1.64 3.74 0.15 0.56 -1.09 -1.26 -5.07 121.20 119.87 1jee s ILE 84 Ca 0.61 -1.29 0.06 0.00 -2.23 0.00 0.00 60.65 57.80 1jee s ILE 84 Cb -0.31 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1jee s ILE 84 CO 0.28 -0.28 -0.13 0.42 -1.23 0.00 0.00 174.94 174.00 1jee s THR 85 N 1.37 1.36 -0.53 2.92 -4.23 -1.26 -1.28 115.64 113.98 1jee s THR 85 Ca -0.00 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 1jee s THR 85 Cb -0.20 -1.77 0.13 0.00 1.34 0.00 0.00 72.50 71.99 1jee s THR 85 CO 0.02 -0.59 0.48 -0.22 -0.54 0.00 0.00 174.62 173.77 1jee s LEU 86 N -2.94 6.13 -0.16 4.79 2.96 -1.26 -4.98 118.68 123.23 1jee s LEU 86 Ca 0.15 -1.79 -0.22 0.00 -0.22 0.00 0.00 54.13 52.05 1jee s LEU 86 Cb -0.01 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1jee s LEU 86 CO 0.03 -0.84 0.66 1.51 -1.32 0.00 0.00 176.35 176.39 1jee s ASP 87 N 3.50 6.80 0.33 3.68 3.84 -1.26 -0.51 116.67 133.05 1jee s ASP 87 Ca 0.03 0.97 0.03 0.00 -0.00 0.00 0.00 52.55 53.58 1jee s ASP 87 Cb -0.30 -2.37 -0.04 0.00 -1.38 0.00 0.00 42.92 38.83 1jee s ASP 87 CO 0.03 -0.23 0.10 0.68 -0.00 0.00 0.00 175.17 175.75 1jee s VAL 88 N 1.58 0.74 0.42 2.11 -7.23 0.36 -4.28 120.40 114.09 1jee s VAL 88 Ca 0.32 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1jee s VAL 88 Cb -0.16 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1jee s VAL 88 CO 0.12 0.00 0.65 1.51 -0.31 0.00 0.00 175.10 177.08 1jee s ASP 89 N -3.47 6.13 0.24 4.85 3.84 -1.26 -1.18 116.67 125.82 1jee s ASP 89 Ca 0.33 0.53 -0.05 0.00 -0.00 0.00 0.00 52.55 53.36 1jee s ASP 89 Cb 0.06 -1.93 0.45 0.00 -1.38 0.00 0.00 42.92 40.12 1jee s ASP 89 CO 0.15 -0.51 1.72 -0.08 -0.00 0.00 0.00 175.17 176.45 1jee h GLU 90 N 0.49 0.38 -0.21 2.11 4.81 -1.96 0.11 114.58 120.30 1jee h GLU 90 Ca -0.48 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1jee h GLU 90 Cb 1.23 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 1jee h GLU 90 CO 0.60 0.25 -0.28 0.00 -0.73 0.00 0.00 179.01 178.85 1jee h ALA 91 N 1.56 -0.24 -0.29 2.92 0.00 -2.00 -1.31 119.26 119.89 1jee h ALA 91 Ca 0.41 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1jee h ALA 91 Cb 0.64 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jee h ALA 91 CO -0.42 -0.73 -0.29 0.35 0.00 0.00 0.00 179.25 178.16 1jee h PHE 92 N -0.31 0.85 -1.00 0.00 3.57 -1.78 -3.18 116.94 115.09 1jee h PHE 92 Ca 0.12 -0.25 0.21 0.00 3.53 0.00 0.00 57.97 61.57 1jee h PHE 92 Cb 0.50 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 38.96 1jee h PHE 92 CO -0.42 1.00 0.62 0.00 -2.23 0.00 0.00 178.31 177.28 1jee h ALA 93 N 0.71 1.80 0.00 2.41 0.00 -0.33 -0.95 119.26 122.90 1jee h ALA 93 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jee h ALA 93 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jee h ALA 93 CO 0.07 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.23 1jee n ASN 94 N -4.74 0.49 -0.72 0.00 5.03 -0.54 -2.86 115.26 111.92 1jee n ASN 94 Ca 0.24 0.62 0.12 0.00 0.87 0.00 0.00 54.58 56.43 1jee n ASN 94 Cb 0.64 -0.72 0.33 0.00 -1.02 0.00 0.00 39.78 39.01 1jee n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jee n GLN 95 N -2.04 1.98 -4.43 3.52 6.02 -0.36 -4.93 117.38 117.14 1jee n GLN 95 Ca 0.03 -1.44 -0.24 0.00 -0.01 0.00 0.00 57.00 55.34 1jee n GLN 95 Cb 0.22 -1.46 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 1jee n GLN 95 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1jee s ILE 96 N -1.89 1.60 0.27 5.09 -4.36 -1.14 -5.11 121.20 115.67 1jee s ILE 96 Ca 0.34 -1.34 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 1jee s ILE 96 Cb 0.20 -1.43 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 1jee s ILE 96 CO 0.31 0.04 0.11 -1.59 0.24 0.00 0.00 174.94 174.05 1jee s LYS 97 N -1.53 1.44 0.84 0.37 -2.85 -1.26 -4.96 119.74 111.79 1jee s LYS 97 Ca 0.06 -1.79 -0.12 0.00 -1.00 0.00 0.00 55.97 53.12 1jee s LYS 97 Cb -0.09 -0.20 0.10 0.00 -2.06 0.00 0.00 37.83 35.58 1jee s LYS 97 CO 0.03 -0.34 1.17 -2.14 0.10 0.00 0.00 175.35 174.17 1jee s PRO 98 N -3.99 1.51 0.00 1.78 0.02 -1.26 -2.42 135.00 130.63 1jee s PRO 98 Ca 0.37 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1jee s PRO 98 Cb 0.07 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1jee s PRO 98 CO 0.14 -2.28 0.00 -0.25 -0.33 0.00 0.00 177.00 174.29 1jee n ASP 99 N -3.64 0.00 -4.76 2.53 8.00 -0.65 -4.99 116.55 113.03 1jee n ASP 99 Ca 0.12 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.24 1jee n ASP 99 Cb 0.51 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1jee n ASP 99 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jee s THR 100 N -1.30 2.61 -0.18 -3.53 2.01 -1.02 -4.70 115.64 109.53 1jee s THR 100 Ca 0.00 0.49 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1jee s THR 100 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 1jee s THR 100 CO 0.00 0.02 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.78 1jee s ARG 101 N -2.60 3.51 0.03 4.92 0.52 -1.26 -0.41 118.95 123.66 1jee s ARG 101 Ca 0.64 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 55.32 1jee s ARG 101 Cb -0.36 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 1jee s ARG 101 CO 0.44 0.05 -0.15 0.42 0.02 0.00 0.00 175.30 176.08 1jee s ILE 102 N 0.85 3.02 -0.21 1.52 1.01 -0.03 -4.20 121.20 123.15 1jee s ILE 102 Ca -0.01 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 1jee s ILE 102 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1jee s ILE 102 CO 0.01 0.37 0.35 0.00 0.00 0.00 0.00 174.94 175.68 1jee s ALA 103 N -0.93 3.57 -0.33 9.38 0.00 -0.05 -0.73 121.76 132.66 1jee s ALA 103 Ca 0.15 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1jee s ALA 103 Cb -0.11 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1jee s ALA 103 CO 0.06 -0.31 0.22 -0.51 0.00 0.00 0.00 175.76 175.22 1jee s LEU 104 N 1.32 4.42 0.28 0.00 1.43 0.93 -1.79 118.68 125.28 1jee s LEU 104 Ca 0.17 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1jee s LEU 104 Cb -0.15 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1jee s LEU 104 CO 0.07 -0.22 0.24 -0.36 0.23 0.00 0.00 176.35 176.31 1jee s PHE 105 N 1.70 3.05 -0.14 0.29 0.40 -0.76 0.67 117.98 123.18 1jee s PHE 105 Ca 0.06 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1jee s PHE 105 Cb -0.17 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1jee s PHE 105 CO 0.10 0.40 -0.21 -1.14 0.70 0.00 0.00 175.22 175.06 1jee s GLN 106 N -3.90 2.99 -1.56 0.44 0.74 0.97 -0.85 119.66 118.49 1jee s GLN 106 Ca 0.36 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.88 1jee s GLN 106 Cb -0.07 -2.43 0.01 0.00 1.10 0.00 0.00 33.01 31.61 1jee s GLN 106 CO 0.26 -0.05 0.60 -0.25 -0.55 0.00 0.00 175.29 175.30 1jee n ASP 107 N 4.16 -6.09 -4.26 6.67 10.43 -1.26 -0.81 116.55 125.38 1jee n ASP 107 Ca -0.20 -0.29 -0.33 0.00 2.57 0.00 0.00 54.79 56.54 1jee n ASP 107 Cb 0.51 -4.93 -0.09 0.00 1.84 0.00 0.00 41.12 38.46 1jee n ASP 107 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1jee n ASP 108 N -2.52 -0.07 0.00 -2.24 10.43 -1.26 -4.58 116.55 116.32 1jee n ASP 108 Ca -0.11 -1.19 0.00 0.00 2.57 0.00 0.00 54.79 56.06 1jee n ASP 108 Cb 0.62 -1.49 0.00 0.00 1.84 0.00 0.00 41.12 42.09 1jee n ASP 108 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1jee n GLU 109 N -4.17 0.00 -3.50 -1.24 2.13 -0.81 -5.09 120.64 107.96 1jee n GLU 109 Ca -0.15 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.26 1jee n GLU 109 Cb 0.57 -0.04 -0.10 0.00 0.27 0.00 0.00 31.44 32.14 1jee n GLU 109 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jee s ILE 110 N -1.36 5.26 -0.05 6.31 1.01 0.01 -4.90 121.20 127.47 1jee s ILE 110 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1jee s ILE 110 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1jee s ILE 110 CO 0.00 -0.00 1.33 -2.16 0.00 0.00 0.00 174.94 174.10 1jee s PRO 111 N 1.80 4.29 -0.24 2.79 0.04 -1.26 -0.02 135.00 142.40 1jee s PRO 111 Ca 0.08 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 1jee s PRO 111 Cb -0.17 -3.63 -0.16 0.00 0.04 0.00 0.00 34.50 30.58 1jee s PRO 111 CO 0.11 -0.58 -0.08 -0.89 0.04 0.00 0.00 177.00 175.60 1jee n ILE 112 N 4.84 1.54 -3.84 0.56 2.08 0.21 -4.46 119.36 120.28 1jee n ILE 112 Ca 0.13 -0.23 -0.06 0.00 0.56 0.00 0.00 62.75 63.14 1jee n ILE 112 Cb 0.45 -1.94 -0.01 0.00 -0.75 0.00 0.00 39.64 37.38 1jee n ILE 112 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jee s ALA 113 N -2.44 -1.26 -0.19 -1.39 0.00 -1.07 -0.33 121.76 115.08 1jee s ALA 113 Ca -0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1jee s ALA 113 Cb 0.11 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 1jee s ALA 113 CO 0.54 -1.04 -0.09 0.42 0.00 0.00 0.00 175.76 175.59 1jee s ILE 114 N -3.58 3.08 -0.23 0.00 -1.09 -0.61 -0.05 121.20 118.72 1jee s ILE 114 Ca 0.12 -0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 1jee s ILE 114 Cb -0.05 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1jee s ILE 114 CO 0.07 0.47 0.10 -0.22 -1.23 0.00 0.00 174.94 174.13 1jee s LEU 115 N 1.13 3.80 -0.33 2.97 1.98 0.09 -1.42 118.68 126.90 1jee s LEU 115 Ca 0.01 -0.01 -0.15 0.00 -2.89 0.00 0.00 54.13 51.09 1jee s LEU 115 Cb -0.14 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.68 1jee s LEU 115 CO -0.02 0.06 0.36 -0.89 -1.89 0.00 0.00 176.35 173.97 1jee s THR 116 N 1.09 5.17 0.25 3.68 2.01 0.68 -0.85 115.64 127.66 1jee s THR 116 Ca 0.05 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1jee s THR 116 Cb -0.14 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 1jee s THR 116 CO 0.04 -0.03 1.48 -0.69 -0.69 0.00 0.00 174.62 174.72 1jee s VAL 117 N 2.04 2.56 -0.14 3.82 1.01 0.45 -1.78 120.40 128.36 1jee s VAL 117 Ca 0.12 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1jee s VAL 117 Cb -0.16 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 1jee s VAL 117 CO 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 175.10 175.18 1jee n GLN 118 N 2.48 0.65 -3.54 2.72 6.02 -0.17 -1.64 117.38 123.90 1jee n GLN 118 Ca 0.08 0.07 -0.08 0.00 -0.01 0.00 0.00 57.00 57.06 1jee n GLN 118 Cb 0.40 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 1jee n GLN 118 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jee s ASP 119 N -5.28 -0.33 -0.19 1.08 3.84 -1.15 -4.70 116.67 109.94 1jee s ASP 119 Ca -0.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 52.55 52.29 1jee s ASP 119 Cb 0.05 0.40 0.05 0.00 -1.38 0.00 0.00 42.92 42.04 1jee s ASP 119 CO 0.36 -0.66 -0.01 -0.69 -0.00 0.00 0.00 175.17 174.17 1jee s VAL 120 N -3.14 0.93 0.31 2.11 1.01 -1.26 -1.48 120.40 118.88 1jee s VAL 120 Ca 0.06 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1jee s VAL 120 Cb -0.01 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1jee s VAL 120 CO -0.07 -0.06 0.00 -0.72 0.00 0.00 0.00 175.10 174.25 1jee s TYR 121 N 1.69 2.00 -0.61 5.22 -0.85 -0.77 -4.99 117.35 119.04 1jee s TYR 121 Ca -0.01 -0.82 0.02 0.00 -0.52 0.00 0.00 57.07 55.73 1jee s TYR 121 Cb -0.17 -1.25 0.15 0.00 0.38 0.00 0.00 41.96 41.07 1jee s TYR 121 CO -0.07 0.16 0.38 0.21 -1.52 0.00 0.00 175.55 174.71 1jee s LYS 122 N -3.81 2.32 0.54 -3.49 2.20 -1.26 -1.31 119.74 114.93 1jee s LYS 122 Ca 0.33 -2.75 -0.20 0.00 -0.36 0.00 0.00 55.97 52.99 1jee s LYS 122 Cb 0.07 -3.50 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1jee s LYS 122 CO 0.14 -1.16 0.99 -0.35 -0.36 0.00 0.00 175.35 174.60 1jee n PRO 123 N 2.99 1.09 -2.89 4.03 -0.04 -1.26 -4.91 135.00 134.01 1jee n PRO 123 Ca 0.09 0.41 -0.44 0.00 -0.04 0.00 0.00 63.50 63.52 1jee n PRO 123 Cb 0.34 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1jee n PRO 123 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jee s ASN 124 N -1.06 6.53 0.64 3.54 2.47 -1.26 -4.88 114.94 120.92 1jee s ASN 124 Ca 0.71 -1.80 0.29 0.00 0.42 0.00 0.00 52.86 52.48 1jee s ASN 124 Cb -0.46 -2.41 1.55 0.00 -1.45 0.00 0.00 41.25 38.48 1jee s ASN 124 CO 0.51 -1.16 1.90 0.11 -3.72 0.00 0.00 177.10 174.74 1jee h LYS 125 N 9.04 0.00 -0.12 0.43 1.57 -1.97 -0.70 116.57 124.81 1jee h LYS 125 Ca 0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1jee h LYS 125 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1jee h LYS 125 CO 1.14 0.00 -0.79 1.15 -0.57 0.00 0.00 179.45 180.38 1jee h THR 126 N 0.00 1.31 -0.23 -0.16 2.02 -1.98 -0.22 112.91 113.65 1jee h THR 126 Ca 0.07 -2.05 -0.06 0.00 0.77 0.00 0.00 66.41 65.14 1jee h THR 126 Cb 0.84 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1jee h THR 126 CO -0.00 0.64 -0.10 0.40 0.37 0.00 0.00 175.52 176.83 1jee h ILE 127 N 0.45 1.30 -0.44 3.11 2.04 -1.55 0.27 117.51 122.69 1jee h ILE 127 Ca -0.05 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1jee h ILE 127 Cb 1.41 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 1jee h ILE 127 CO 0.15 0.36 0.29 -0.08 0.00 0.00 0.00 178.15 178.87 1jee h GLU 128 N 0.19 0.57 -0.63 2.37 4.81 -1.52 0.36 114.58 120.75 1jee h GLU 128 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1jee h GLU 128 Cb 0.59 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1jee h GLU 128 CO 0.03 0.38 0.41 0.00 -0.73 0.00 0.00 179.01 179.10 1jee h ALA 129 N 1.17 0.80 0.10 2.92 0.00 -0.87 -0.29 119.26 123.08 1jee h ALA 129 Ca 0.16 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1jee h ALA 129 Cb -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jee h ALA 129 CO -0.04 0.23 -0.67 0.93 0.00 0.00 0.00 179.25 179.71 1jee h GLU 130 N 0.85 0.27 -0.03 0.00 5.08 -0.56 -0.14 114.58 120.06 1jee h GLU 130 Ca 0.23 -0.43 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1jee h GLU 130 Cb -0.09 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jee h GLU 130 CO -0.05 1.18 -0.86 0.87 -1.00 0.00 0.00 179.01 179.15 1jee h LYS 131 N -0.41 0.38 0.11 2.33 1.79 -0.33 -2.69 116.57 117.74 1jee h LYS 131 Ca -0.11 -0.37 -0.37 0.00 -2.18 0.00 0.00 60.65 57.62 1jee h LYS 131 Cb 1.49 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.22 1jee h LYS 131 CO 0.13 1.04 -2.07 0.28 -1.08 0.00 0.00 179.45 177.75 1jee n VAL 132 N -3.76 1.74 0.05 0.50 0.31 -0.12 -4.58 118.33 112.47 1jee n VAL 132 Ca -0.05 -0.65 0.04 0.00 -0.01 0.00 0.00 64.34 63.67 1jee n VAL 132 Cb 0.79 -1.69 0.09 0.00 -0.91 0.00 0.00 33.84 32.11 1jee n VAL 132 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jee n PHE 133 N -3.45 0.22 -1.03 3.52 3.72 -0.95 -4.93 117.46 114.56 1jee n PHE 133 Ca -0.34 -0.31 -0.01 0.00 -0.05 0.00 0.00 57.45 56.74 1jee n PHE 133 Cb 1.04 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 39.56 1jee n PHE 133 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jee n ARG 134 N 0.35 -0.13 0.00 -1.08 1.74 -1.02 -4.58 116.66 111.95 1jee n ARG 134 Ca 0.07 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1jee n ARG 134 Cb 0.32 -3.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.07 1jee n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jee n GLY 135 N -2.75 1.64 3.64 -0.13 0.00 -0.11 -4.89 105.19 102.59 1jee n GLY 135 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1jee n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jee s ASP 136 N -0.53 6.08 0.43 1.61 3.68 -1.26 -4.85 116.67 121.82 1jee s ASP 136 Ca 0.00 2.31 0.17 0.00 2.13 0.00 0.00 52.55 57.16 1jee s ASP 136 Cb 0.00 -2.52 0.93 0.00 -1.45 0.00 0.00 42.92 39.88 1jee s ASP 136 CO 0.00 -1.40 1.45 1.55 0.13 0.00 0.00 175.17 176.90 1jee h PRO 137 N 12.24 0.00 0.00 4.34 0.13 -1.98 0.19 132.00 146.93 1jee h PRO 137 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jee h PRO 137 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jee h PRO 137 CO 0.95 0.00 -1.05 0.39 -0.23 0.00 0.00 178.00 178.06 1jee n GLU 138 N -2.29 0.49 -1.66 0.86 1.02 -1.26 -4.34 120.64 113.46 1jee n GLU 138 Ca -0.01 0.06 -0.48 0.00 -0.02 0.00 0.00 57.16 56.70 1jee n GLU 138 Cb 0.36 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1jee n GLU 138 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1jee n HIS 139 N -2.39 2.12 -0.30 -0.32 -0.00 0.66 -4.82 115.22 110.18 1jee n HIS 139 Ca 0.01 0.31 0.13 0.00 0.46 0.00 0.00 57.72 58.62 1jee n HIS 139 Cb 0.51 -2.52 0.30 0.00 -0.12 0.00 0.00 29.99 28.16 1jee n HIS 139 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jee h PRO 140 N 6.25 0.35 -0.31 1.57 0.11 -1.88 -0.93 132.00 137.15 1jee h PRO 140 Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1jee h PRO 140 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jee h PRO 140 CO 0.88 0.23 -0.31 0.00 -0.21 0.00 0.00 178.00 178.59 1jee h ALA 141 N 1.71 0.88 -0.39 -0.75 0.00 -1.90 -2.23 119.26 116.59 1jee h ALA 141 Ca 0.55 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1jee h ALA 141 Cb 1.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1jee h ALA 141 CO -0.55 0.63 -0.17 0.82 0.00 0.00 0.00 179.25 179.98 1jee h ILE 142 N 0.56 1.28 -0.75 0.00 2.04 -1.53 -0.83 117.51 118.28 1jee h ILE 142 Ca 0.07 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1jee h ILE 142 Cb 0.81 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1jee h ILE 142 CO 0.07 0.43 0.36 -1.28 0.00 0.00 0.00 178.15 177.73 1jee h SER 143 N 0.62 0.99 -0.15 1.72 0.87 -1.26 -1.33 113.55 115.01 1jee h SER 143 Ca 0.09 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1jee h SER 143 Cb 0.72 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1jee h SER 143 CO 0.05 0.85 0.05 0.22 -0.53 0.00 0.00 176.83 177.47 1jee h TYR 144 N 1.06 0.23 -0.98 2.24 3.20 -1.24 0.39 116.97 121.89 1jee h TYR 144 Ca 0.26 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.20 1jee h TYR 144 Cb 0.12 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 1jee h TYR 144 CO 0.01 0.34 0.61 1.25 -1.64 0.00 0.00 178.16 178.73 1jee h LEU 145 N 0.06 0.93 0.00 2.82 5.85 -0.65 0.46 115.31 124.79 1jee h LEU 145 Ca 0.05 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1jee h LEU 145 Cb 0.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1jee h LEU 145 CO -0.00 0.54 -1.45 0.49 -0.34 0.00 0.00 178.44 177.68 1jee n PHE 146 N -4.59 0.81 0.35 1.25 3.01 -0.55 -3.92 117.46 113.82 1jee n PHE 146 Ca 0.17 0.26 0.05 0.00 1.01 0.00 0.00 57.45 58.94 1jee n PHE 146 Cb 0.28 -0.99 -0.07 0.00 -0.01 0.00 0.00 39.48 38.69 1jee n PHE 146 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jee n ASN 147 N -2.76 1.13 0.00 4.37 5.03 0.12 -4.79 115.26 118.36 1jee n ASN 147 Ca -0.08 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1jee n ASN 147 Cb 0.76 1.18 0.00 0.00 -1.02 0.00 0.00 39.78 40.70 1jee n ASN 147 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1jee n VAL 148 N -1.48 0.00 -2.25 2.41 0.31 0.14 -5.02 118.33 112.43 1jee n VAL 148 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 1jee n VAL 148 Cb 0.22 -0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 32.68 1jee n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jee s ALA 149 N -1.55 2.90 0.89 3.52 0.00 0.27 -5.02 121.76 122.77 1jee s ALA 149 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1jee s ALA 149 Cb 0.00 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.87 1jee s ALA 149 CO 0.00 -0.69 1.09 0.20 0.00 0.00 0.00 175.76 176.36 1jee s GLY 150 N -1.46 1.62 0.00 0.00 0.00 -1.26 -4.85 107.32 101.38 1jee s GLY 150 Ca 0.66 -0.02 0.27 0.00 0.00 0.00 0.00 44.72 45.63 1jee s GLY 150 CO 0.33 0.46 1.63 1.22 0.00 0.00 0.00 173.10 176.74 1jee n ASP 151 N -3.88 1.85 -4.17 1.64 10.43 -1.01 -4.63 116.55 116.77 1jee n ASP 151 Ca 0.07 -1.62 -0.26 0.00 2.57 0.00 0.00 54.79 55.55 1jee n ASP 151 Cb 0.55 -0.01 -0.16 0.00 1.84 0.00 0.00 41.12 43.34 1jee n ASP 151 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1jee s TYR 152 N -1.98 1.67 -0.01 1.24 1.51 -0.33 -4.09 117.35 115.36 1jee s TYR 152 Ca 0.36 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 1jee s TYR 152 Cb 0.21 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1jee s TYR 152 CO 0.32 -0.06 -0.03 0.71 -1.11 0.00 0.00 175.55 175.38 1jee s TYR 153 N -0.33 2.98 -0.33 2.71 4.12 -0.43 0.14 117.35 126.21 1jee s TYR 153 Ca 0.05 0.03 0.04 0.00 0.02 0.00 0.00 57.07 57.20 1jee s TYR 153 Cb -0.08 -1.65 0.09 0.00 -1.52 0.00 0.00 41.96 38.80 1jee s TYR 153 CO -0.00 0.41 0.03 0.08 0.02 0.00 0.00 175.55 176.09 1jee s VAL 154 N -1.02 2.19 0.47 0.71 1.01 0.33 -1.86 120.40 122.24 1jee s VAL 154 Ca 0.18 -2.19 -0.21 0.00 0.00 0.00 0.00 61.98 59.76 1jee s VAL 154 Cb -0.11 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1jee s VAL 154 CO 0.08 -0.51 1.04 -0.83 0.00 0.00 0.00 175.10 174.88 1jee s GLY 155 N 0.97 2.55 0.00 4.51 0.00 -0.55 -4.34 107.32 110.45 1jee s GLY 155 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1jee s GLY 155 CO -0.08 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.59 1jee n GLY 156 N -0.15 2.29 3.90 0.20 0.00 -0.49 -1.00 105.19 109.94 1jee n GLY 156 Ca 0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1jee n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jee s SER 157 N 0.00 6.49 0.28 1.61 1.04 -0.73 -1.40 113.70 120.99 1jee s SER 157 Ca 0.00 0.75 0.08 0.00 0.48 0.00 0.00 55.95 57.25 1jee s SER 157 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1jee s SER 157 CO 0.00 -0.15 0.17 -0.76 0.98 0.00 0.00 173.24 173.48 1jee s LEU 158 N -3.31 3.57 -0.14 2.42 2.01 0.27 -0.23 118.68 123.26 1jee s LEU 158 Ca 0.44 -0.45 -0.04 0.00 0.01 0.00 0.00 54.13 54.10 1jee s LEU 158 Cb -0.11 -2.11 0.06 0.00 0.01 0.00 0.00 46.19 44.04 1jee s LEU 158 CO 0.28 -0.12 0.11 -1.61 1.01 0.00 0.00 176.35 176.01 1jee s GLU 159 N -3.84 0.05 0.24 1.70 2.02 -0.51 -4.92 118.70 113.44 1jee s GLU 159 Ca 0.35 0.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.16 1jee s GLU 159 Cb -0.06 -1.32 -0.09 0.00 0.10 0.00 0.00 34.13 32.75 1jee s GLU 159 CO 0.24 -0.56 1.19 0.00 0.02 0.00 0.00 175.26 176.15 1jee s ALA 160 N 2.19 3.45 -0.17 5.21 0.00 -1.26 -1.57 121.76 129.60 1jee s ALA 160 Ca 0.03 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1jee s ALA 160 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1jee s ALA 160 CO -0.08 -0.36 -0.18 -0.89 0.00 0.00 0.00 175.76 174.25 1jee n ILE 161 N 1.87 0.98 -3.62 0.00 5.41 0.55 -4.79 119.36 119.76 1jee n ILE 161 Ca 0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.40 1jee n ILE 161 Cb 0.44 -1.35 -0.04 0.00 -0.71 0.00 0.00 39.64 37.98 1jee n ILE 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jee s GLN 162 N -2.34 0.25 0.64 0.38 -2.07 -0.85 -5.00 119.66 110.69 1jee s GLN 162 Ca -0.24 0.03 -0.16 0.00 -1.82 0.00 0.00 55.36 53.18 1jee s GLN 162 Cb 0.07 0.12 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 1jee s GLN 162 CO 0.36 -0.08 1.12 -0.51 -1.32 0.00 0.00 175.29 174.86 1jee s LEU 163 N -1.23 3.45 0.50 2.60 1.43 -1.26 -4.66 118.68 119.51 1jee s LEU 163 Ca 0.06 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 1jee s LEU 163 Cb -0.01 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.57 1jee s LEU 163 CO -0.05 -1.61 1.03 -2.65 0.23 0.00 0.00 176.35 173.30 1jee n PRO 164 N -2.24 1.24 -2.32 1.29 -0.02 -1.26 -4.90 135.00 126.78 1jee n PRO 164 Ca 0.11 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1jee n PRO 164 Cb 0.52 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1jee n PRO 164 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1jee s GLN 165 N -2.38 4.44 -0.03 -0.52 2.00 -1.26 -5.06 119.66 116.86 1jee s GLN 165 Ca 0.68 1.92 0.01 0.00 -2.00 0.00 0.00 55.36 55.98 1jee s GLN 165 Cb -0.48 -3.25 0.02 0.00 0.80 0.00 0.00 33.01 30.10 1jee s GLN 165 CO 0.53 -0.19 -0.03 -1.01 -0.50 0.00 0.00 175.29 174.09 1jee s HIS 166 N 0.27 0.51 -1.26 1.67 3.76 -1.26 -5.02 115.29 113.96 1jee s HIS 166 Ca 0.56 -0.10 0.15 0.00 -0.15 0.00 0.00 55.06 55.53 1jee s HIS 166 Cb -0.33 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.85 1jee s HIS 166 CO 0.35 -0.12 0.79 0.66 -0.85 0.00 0.00 174.74 175.58 1jee n TYR 167 N 3.77 0.00 -4.15 1.40 4.01 -1.26 -4.84 117.16 116.09 1jee n TYR 167 Ca -0.23 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.19 1jee n TYR 167 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1jee n TYR 167 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1jee s ASP 168 N -1.99 5.49 -1.47 7.72 -4.77 -1.26 -4.60 116.67 115.79 1jee s ASP 168 Ca 0.11 0.08 -0.07 0.00 -3.30 0.00 0.00 52.55 49.37 1jee s ASP 168 Cb 0.12 -1.52 0.05 0.00 -1.09 0.00 0.00 42.92 40.48 1jee s ASP 168 CO 0.45 0.26 0.74 -1.22 0.70 0.00 0.00 175.17 176.09 1jee n TYR 169 N 1.17 -1.95 -0.27 2.11 4.01 -1.26 -4.87 117.16 116.10 1jee n TYR 169 Ca -0.13 0.83 0.08 0.00 -0.16 0.00 0.00 57.90 58.52 1jee n TYR 169 Cb 0.53 -3.88 0.23 0.00 -0.31 0.00 0.00 39.34 35.90 1jee n TYR 169 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jee h PRO 170 N -1.88 0.32 -0.07 -0.72 0.11 -1.88 -1.51 132.00 126.36 1jee h PRO 170 Ca -0.60 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.38 1jee h PRO 170 Cb 1.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1jee h PRO 170 CO 0.65 0.21 -0.44 0.78 -0.21 0.00 0.00 178.00 178.98 1jee h GLY 171 N 0.33 0.18 1.83 -0.55 0.00 -1.99 -3.35 103.07 99.53 1jee h GLY 171 Ca 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1jee h GLY 171 CO -0.51 0.16 -0.22 1.41 0.00 0.00 0.00 176.54 177.38 1jee h LEU 172 N 0.14 0.00 -5.95 3.11 4.07 -1.65 -3.40 115.31 111.63 1jee h LEU 172 Ca 0.01 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.25 1jee h LEU 172 Cb 0.84 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.53 1jee h LEU 172 CO 0.07 0.05 2.98 0.54 -1.08 0.00 0.00 178.44 181.00 1jee n ARG 173 N -3.04 3.18 -2.10 1.13 1.74 -1.18 -1.68 116.66 114.71 1jee n ARG 173 Ca 0.03 -2.77 -0.41 0.00 -0.77 0.00 0.00 57.85 53.93 1jee n ARG 173 Cb 0.56 -3.13 -0.02 0.00 -1.02 0.00 0.00 32.46 28.84 1jee n ARG 173 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jee s LYS 174 N 2.34 4.34 0.59 5.56 -0.14 -1.26 -4.96 119.74 126.21 1jee s LYS 174 Ca 0.49 2.21 -0.06 0.00 -1.36 0.00 0.00 55.97 57.24 1jee s LYS 174 Cb 0.14 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 1jee s LYS 174 CO -0.07 -0.27 0.91 0.95 -0.76 0.00 0.00 175.35 176.11 1jee s THR 175 N -0.55 3.78 0.24 2.17 -4.23 -1.26 -4.77 115.64 111.02 1jee s THR 175 Ca 0.54 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 1jee s THR 175 Cb -0.40 -3.50 0.21 0.00 1.34 0.00 0.00 72.50 70.15 1jee s THR 175 CO 0.47 -0.53 1.73 -0.65 -0.54 0.00 0.00 174.62 175.10 1jee h PRO 176 N -0.18 0.42 0.12 3.99 0.11 -1.89 0.34 132.00 134.91 1jee h PRO 176 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1jee h PRO 176 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jee h PRO 176 CO 0.61 0.28 -0.06 0.00 -0.21 0.00 0.00 178.00 178.62 1jee h ALA 177 N 1.53 -0.16 -0.93 -0.75 0.00 -1.89 -1.91 119.26 115.15 1jee h ALA 177 Ca 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1jee h ALA 177 Cb 0.59 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1jee h ALA 177 CO -0.39 -0.58 0.57 1.96 0.00 0.00 0.00 179.25 180.81 1jee h GLN 178 N -0.18 1.26 -0.06 0.00 4.20 -1.68 -2.24 115.11 116.42 1jee h GLN 178 Ca -0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1jee h GLN 178 Cb 0.14 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1jee h GLN 178 CO 0.03 0.87 0.02 1.25 -0.67 0.00 0.00 178.83 180.34 1jee h LEU 179 N 1.28 0.08 -0.79 1.46 6.46 -0.17 -1.11 115.31 122.51 1jee h LEU 179 Ca 0.34 -0.15 0.12 0.00 -0.12 0.00 0.00 57.88 58.07 1jee h LEU 179 Cb -0.07 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 39.76 1jee h LEU 179 CO -0.06 0.20 0.39 0.03 -0.62 0.00 0.00 178.44 178.38 1jee h ARG 180 N -0.05 0.58 -0.79 1.25 3.08 -1.17 0.26 114.38 117.54 1jee h ARG 180 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1jee h ARG 180 Cb 0.15 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1jee h ARG 180 CO -0.00 0.39 0.41 -0.07 -1.07 0.00 0.00 179.97 179.62 1jee h LEU 181 N 0.60 1.00 -0.13 3.04 3.38 -0.99 -0.92 115.31 121.29 1jee h LEU 181 Ca 0.41 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.31 1jee h LEU 181 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jee h LEU 181 CO -0.33 0.82 -0.03 -0.33 0.09 0.00 0.00 178.44 178.66 1jee h GLU 182 N 1.11 0.01 -0.46 1.13 4.39 0.72 0.14 114.58 121.62 1jee h GLU 182 Ca 0.28 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1jee h GLU 182 Cb 0.06 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1jee h GLU 182 CO -0.04 0.00 0.08 0.74 -1.16 0.00 0.00 179.01 178.63 1jee h PHE 183 N 0.01 0.73 0.20 4.33 0.04 -0.70 -2.94 116.94 118.61 1jee h PHE 183 Ca 0.06 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1jee h PHE 183 Cb 0.09 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1jee h PHE 183 CO -0.17 0.64 -0.10 1.96 -0.60 0.00 0.00 178.31 180.05 1jee h GLN 184 N 0.68 -0.26 -0.83 1.51 4.20 -0.58 0.69 115.11 120.52 1jee h GLN 184 Ca 0.15 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.12 1jee h GLN 184 Cb 0.31 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1jee h GLN 184 CO 0.00 0.13 0.81 0.66 -0.67 0.00 0.00 178.83 179.76 1jee h SER 185 N -0.79 0.00 0.10 1.46 4.64 -0.68 2.18 113.55 120.47 1jee h SER 185 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1jee h SER 185 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jee h SER 185 CO 0.05 0.00 -0.66 0.54 -0.87 0.00 0.00 176.83 175.89 1jee n ARG 186 N -3.67 0.50 -3.25 4.77 1.74 -1.06 -4.96 116.66 110.74 1jee n ARG 186 Ca 0.18 -0.39 -0.16 0.00 -0.77 0.00 0.00 57.85 56.70 1jee n ARG 186 Cb 1.09 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 31.10 1jee n ARG 186 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jee n GLN 187 N -0.91 -5.67 -3.34 5.56 6.02 0.74 -4.97 117.38 114.80 1jee n GLN 187 Ca 0.07 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 1jee n GLN 187 Cb 0.38 -5.01 -0.09 0.00 1.02 0.00 0.00 30.24 26.54 1jee n GLN 187 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jee s TRP 188 N -3.25 3.19 -0.92 1.08 0.52 0.22 -4.88 118.94 114.90 1jee s TRP 188 Ca 0.32 -0.19 0.09 0.00 0.02 0.00 0.00 56.10 56.34 1jee s TRP 188 Cb -0.14 -2.81 0.03 0.00 -1.15 0.00 0.00 33.47 29.39 1jee s TRP 188 CO 0.54 -0.58 0.66 -0.40 0.02 0.00 0.00 176.95 177.19 1jee n ASP 189 N 5.53 1.37 -3.79 2.95 3.85 -1.26 -4.49 116.55 120.71 1jee n ASP 189 Ca -0.08 -1.18 -0.25 0.00 -0.71 0.00 0.00 54.79 52.56 1jee n ASP 189 Cb 0.48 0.28 -0.17 0.00 -1.35 0.00 0.00 41.12 40.36 1jee n ASP 189 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1jee s ARG 190 N -1.03 0.82 -0.06 0.11 0.52 -1.26 -4.89 118.95 113.16 1jee s ARG 190 Ca 0.08 -0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1jee s ARG 190 Cb 0.07 -1.53 0.04 0.00 0.52 0.00 0.00 34.95 34.04 1jee s ARG 190 CO 0.17 -0.42 0.07 0.08 0.02 0.00 0.00 175.30 175.22 1jee s VAL 191 N 1.87 -0.11 -0.24 3.52 1.01 -1.26 -1.23 120.40 123.96 1jee s VAL 191 Ca 0.03 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1jee s VAL 191 Cb -0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1jee s VAL 191 CO -0.07 0.10 0.27 0.54 0.00 0.00 0.00 175.10 175.94 1jee s VAL 192 N 2.17 5.27 -0.01 2.92 0.11 0.54 -1.48 120.40 129.92 1jee s VAL 192 Ca 0.04 0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 59.35 1jee s VAL 192 Cb -0.13 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.06 1jee s VAL 192 CO -0.04 0.28 0.42 0.00 -3.33 0.00 0.00 175.10 172.42 1jee s ALA 193 N 1.37 3.67 -0.26 1.54 0.00 0.42 -1.42 121.76 127.08 1jee s ALA 193 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 1jee s ALA 193 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1jee s ALA 193 CO 0.07 0.43 -0.04 0.12 0.00 0.00 0.00 175.76 176.34 1jee s PHE 194 N -0.89 3.10 0.49 0.00 5.36 0.23 -2.06 117.98 124.21 1jee s PHE 194 Ca 0.24 -1.54 -0.17 0.00 -0.96 0.00 0.00 56.93 54.50 1jee s PHE 194 Cb -0.17 -2.08 -0.08 0.00 -0.34 0.00 0.00 43.02 40.35 1jee s PHE 194 CO 0.13 -0.72 0.97 -1.14 -1.46 0.00 0.00 175.22 173.00 1jee s GLN 195 N 1.33 3.99 -0.24 10.12 2.00 -1.26 -1.62 119.66 133.98 1jee s GLN 195 Ca -0.00 0.96 -0.30 0.00 -2.00 0.00 0.00 55.36 54.02 1jee s GLN 195 Cb -0.17 -2.16 0.17 0.00 0.80 0.00 0.00 33.01 31.65 1jee s GLN 195 CO -0.03 -0.22 1.25 -0.08 -0.50 0.00 0.00 175.29 175.71 1jee s THR 196 N -2.53 0.00 0.00 -0.34 -1.32 -1.26 -4.96 115.64 105.23 1jee s THR 196 Ca 0.59 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1jee s THR 196 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1jee s THR 196 CO 0.28 0.00 0.28 -2.11 -2.21 0.00 0.00 174.62 170.86 1jee n ARG 197 N 0.55 -0.28 -4.51 7.08 1.85 -1.26 -1.66 116.66 118.42 1jee n ARG 197 Ca -0.03 -0.30 -0.26 0.00 -1.00 0.00 0.00 57.85 56.26 1jee n ARG 197 Cb 0.59 -0.73 -0.10 0.00 -1.05 0.00 0.00 32.46 31.16 1jee n ARG 197 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1jee s ASN 198 N -0.05 3.83 0.55 2.89 0.02 -1.26 -4.68 114.94 116.24 1jee s ASN 198 Ca 0.00 -1.18 -0.20 0.00 -1.02 0.00 0.00 52.86 50.46 1jee s ASN 198 Cb 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 41.25 40.83 1jee s ASN 198 CO 0.00 -0.24 1.16 -2.16 0.02 0.00 0.00 177.10 175.88 1jee s PRO 199 N -3.64 3.31 -0.06 -0.60 0.04 -1.26 -4.97 135.00 127.82 1jee s PRO 199 Ca 0.33 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1jee s PRO 199 Cb 0.03 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1jee s PRO 199 CO 0.17 -0.91 0.59 -1.64 0.04 0.00 0.00 177.00 175.25 1jee s MET 200 N -3.22 4.35 0.17 4.56 -1.94 -1.26 -5.07 119.30 116.89 1jee s MET 200 Ca 0.73 0.68 0.01 0.00 -1.71 0.00 0.00 55.69 55.40 1jee s MET 200 Cb -0.26 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.19 1jee s MET 200 CO 0.30 0.23 0.08 0.72 -0.01 0.00 0.00 175.02 176.34 1jee n HIS 201 N 3.28 -0.68 -0.28 -0.03 8.25 -1.26 -4.91 115.22 119.60 1jee n HIS 201 Ca -0.05 -0.74 0.04 0.00 -0.26 0.00 0.00 57.72 56.70 1jee n HIS 201 Cb 0.51 -0.13 0.18 0.00 1.12 0.00 0.00 29.99 31.68 1jee n HIS 201 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jee h ARG 202 N 0.00 0.64 -0.27 -0.41 2.47 -1.67 -1.97 114.38 113.17 1jee h ARG 202 Ca -0.12 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.62 1jee h ARG 202 Cb 0.40 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.52 1jee h ARG 202 CO 0.19 0.42 -0.05 0.00 0.56 0.00 0.00 179.97 181.09 1jee h ALA 203 N 1.49 0.19 -0.84 0.04 0.00 -1.89 -1.52 119.26 116.74 1jee h ALA 203 Ca 0.41 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1jee h ALA 203 Cb 0.48 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1jee h ALA 203 CO -0.30 -0.45 0.55 0.45 0.00 0.00 0.00 179.25 179.49 1jee h HIS 204 N 0.02 1.07 -0.43 0.00 3.86 -1.77 0.27 115.15 118.17 1jee h HIS 204 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1jee h HIS 204 Cb 0.19 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1jee h HIS 204 CO -0.25 0.68 0.26 -0.09 0.86 0.00 0.00 177.93 179.40 1jee h ARG 205 N 1.15 0.58 -0.45 2.45 1.12 -0.93 0.42 114.38 118.71 1jee h ARG 205 Ca 0.31 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 59.06 1jee h ARG 205 Cb -0.11 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.71 1jee h ARG 205 CO -0.06 0.42 0.03 0.93 -3.11 0.00 0.00 179.97 178.17 1jee h GLU 206 N 0.57 0.78 -0.42 0.20 3.07 -0.69 -1.77 114.58 116.32 1jee h GLU 206 Ca 0.15 -0.23 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1jee h GLU 206 Cb -0.01 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.77 1jee h GLU 206 CO -0.03 0.82 0.12 1.25 -1.40 0.00 0.00 179.01 179.78 1jee h LEU 207 N 0.63 0.09 -0.72 1.33 6.46 -0.08 0.17 115.31 123.19 1jee h LEU 207 Ca 0.13 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.82 1jee h LEU 207 Cb 0.46 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1jee h LEU 207 CO 0.02 0.09 -0.42 0.71 -0.62 0.00 0.00 178.44 178.21 1jee h THR 208 N 0.27 1.31 -0.23 1.05 1.35 -0.75 -2.16 112.91 113.74 1jee h THR 208 Ca 0.20 -1.59 -0.18 0.00 -0.55 0.00 0.00 66.41 64.29 1jee h THR 208 Cb 0.22 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1jee h THR 208 CO -0.23 0.49 -0.58 0.58 -0.25 0.00 0.00 175.52 175.54 1jee h VAL 209 N 0.40 1.30 -0.20 6.82 2.07 -0.95 -0.14 116.25 125.54 1jee h VAL 209 Ca 0.03 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1jee h VAL 209 Cb 0.90 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1jee h VAL 209 CO 0.08 0.57 0.11 0.03 0.02 0.00 0.00 177.57 178.38 1jee h ARG 210 N 0.54 0.22 -0.88 1.57 3.08 -0.88 0.11 114.38 118.14 1jee h ARG 210 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1jee h ARG 210 Cb 1.16 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 1jee h ARG 210 CO 0.12 0.15 0.58 0.00 -1.07 0.00 0.00 179.97 179.74 1jee h ALA 211 N 1.10 1.12 -0.84 0.04 0.00 -1.22 0.58 119.26 120.05 1jee h ALA 211 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jee h ALA 211 Cb 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1jee h ALA 211 CO -0.05 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.24 1jee h ALA 212 N 1.33 1.06 -0.14 0.00 0.00 -0.22 -0.17 119.26 121.13 1jee h ALA 212 Ca 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1jee h ALA 212 Cb -0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1jee h ALA 212 CO -0.08 0.48 -0.16 -0.09 0.00 0.00 0.00 179.25 179.39 1jee h ARG 213 N 1.14 0.35 -0.05 0.00 2.43 0.35 0.16 114.38 118.75 1jee h ARG 213 Ca 0.31 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jee h ARG 213 Cb -0.12 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1jee h ARG 213 CO -0.07 0.76 0.04 0.93 -1.51 0.00 0.00 179.97 180.12 1jee h GLU 214 N -0.04 0.07 0.00 0.20 4.39 0.34 -2.86 114.58 116.68 1jee h GLU 214 Ca 0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1jee h GLU 214 Cb 0.70 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1jee h GLU 214 CO 0.04 0.05 -0.08 0.00 -1.16 0.00 0.00 179.01 177.86 1jee n ALA 215 N -2.11 2.51 -3.40 3.43 0.00 -0.10 -4.92 120.51 115.93 1jee n ALA 215 Ca -0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 1jee n ALA 215 Cb 0.03 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.15 1jee n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jee n ASN 216 N -1.56 -2.09 -4.10 0.00 3.02 -0.10 -4.99 115.26 105.44 1jee n ASN 216 Ca 0.07 -0.61 -0.08 0.00 -0.03 0.00 0.00 54.58 53.92 1jee n ASN 216 Cb 0.35 -5.05 -0.10 0.00 -0.61 0.00 0.00 39.78 34.37 1jee n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jee s ALA 217 N -3.35 0.62 0.65 5.41 0.00 -0.38 -4.88 121.76 119.83 1jee s ALA 217 Ca 0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 1jee s ALA 217 Cb -0.00 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1jee s ALA 217 CO 0.72 -0.43 1.04 0.15 0.00 0.00 0.00 175.76 177.24 1jee s LYS 218 N -3.97 3.29 -0.20 0.00 -0.14 -0.36 -4.55 119.74 113.81 1jee s LYS 218 Ca 0.14 0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 55.48 1jee s LYS 218 Cb 0.08 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.14 1jee s LYS 218 CO -0.05 -0.81 0.11 0.08 -0.76 0.00 0.00 175.35 173.92 1jee s VAL 219 N -3.13 5.14 -0.26 3.17 1.01 0.09 -0.34 120.40 126.07 1jee s VAL 219 Ca 0.56 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1jee s VAL 219 Cb -0.12 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1jee s VAL 219 CO 0.54 0.43 -0.06 -0.22 0.00 0.00 0.00 175.10 175.79 1jee s LEU 220 N 0.51 3.43 -0.41 3.92 2.96 -0.50 -0.63 118.68 127.95 1jee s LEU 220 Ca 0.06 -1.14 -0.25 0.00 -0.22 0.00 0.00 54.13 52.57 1jee s LEU 220 Cb -0.12 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1jee s LEU 220 CO -0.00 -0.18 0.90 -0.63 -1.32 0.00 0.00 176.35 175.11 1jee s ILE 221 N 1.23 4.56 -0.63 6.68 -1.09 -0.21 -0.61 121.20 131.14 1jee s ILE 221 Ca -0.04 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.37 1jee s ILE 221 Cb -0.18 -4.35 0.27 0.00 -1.58 0.00 0.00 42.46 36.61 1jee s ILE 221 CO -0.04 -0.65 0.80 1.57 -1.23 0.00 0.00 174.94 175.39 1jee n HIS 222 N 6.88 3.75 -2.25 3.97 -0.00 -0.64 -2.10 115.22 124.84 1jee n HIS 222 Ca 0.06 -4.11 -0.37 0.00 0.46 0.00 0.00 57.72 53.76 1jee n HIS 222 Cb 0.48 -0.55 -0.01 0.00 -0.12 0.00 0.00 29.99 29.80 1jee n HIS 222 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1jee s PRO 223 N -2.73 3.72 -0.10 1.57 0.04 -1.22 -4.28 135.00 132.00 1jee s PRO 223 Ca 0.42 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 1jee s PRO 223 Cb 0.18 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1jee s PRO 223 CO -0.04 -0.59 0.87 0.08 0.04 0.00 0.00 177.00 177.36 1jee s VAL 224 N -1.55 4.90 -0.07 -0.36 1.01 -0.67 -1.09 120.40 122.57 1jee s VAL 224 Ca 0.64 1.76 0.10 0.00 0.00 0.00 0.00 61.98 64.48 1jee s VAL 224 Cb -0.29 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.05 1jee s VAL 224 CO 0.34 0.10 1.05 1.33 0.00 0.00 0.00 175.10 177.93 1jee n VAL 225 N 4.30 1.03 -0.00 2.92 0.24 -0.32 -4.84 118.33 121.66 1jee n VAL 225 Ca 0.04 -1.22 -0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1jee n VAL 225 Cb 0.50 0.15 -0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1jee n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jee n GLY 226 N -0.76 -0.54 3.64 7.63 0.00 -1.15 -4.87 105.19 109.14 1jee n GLY 226 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1jee n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jee s LEU 227 N -4.52 -0.85 0.00 0.99 0.20 -0.52 -4.88 118.68 109.09 1jee s LEU 227 Ca -0.00 1.35 0.00 0.00 0.69 0.00 0.00 54.13 56.17 1jee s LEU 227 Cb 0.00 2.23 0.00 0.00 -0.43 0.00 0.00 46.19 47.99 1jee s LEU 227 CO 0.00 -0.21 0.00 0.35 -0.29 0.00 0.00 176.35 176.20 1jee n THR 228 N 4.24 0.00 -2.10 3.68 -2.24 -1.26 -0.35 114.28 116.26 1jee n THR 228 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1jee n THR 228 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1jee n THR 228 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jee s LYS 229 N 1.30 4.28 0.27 -0.78 2.20 -1.26 -4.93 119.74 120.83 1jee s LYS 229 Ca 0.00 2.16 -0.29 0.00 -0.36 0.00 0.00 55.97 57.48 1jee s LYS 229 Cb 0.00 -3.27 -0.14 0.00 -1.51 0.00 0.00 37.83 32.91 1jee s LYS 229 CO 0.00 -0.51 1.11 -2.30 -0.36 0.00 0.00 175.35 173.28 1jee n PRO 230 N 4.18 1.47 -0.75 4.03 -0.02 -1.26 -1.19 135.00 141.45 1jee n PRO 230 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1jee n PRO 230 Cb 0.41 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1jee n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jee n GLY 231 N 1.40 0.77 3.73 -1.23 0.00 -1.26 -5.04 105.19 103.55 1jee n GLY 231 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1jee n GLY 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jee s ASP 232 N -2.56 3.54 0.24 1.61 1.01 -0.34 -4.98 116.67 115.19 1jee s ASP 232 Ca 0.00 1.44 -0.30 0.00 0.71 0.00 0.00 52.55 54.40 1jee s ASP 232 Cb 0.00 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 1jee s ASP 232 CO 0.00 -2.59 1.28 -0.63 0.21 0.00 0.00 175.17 173.44 1jee s ILE 233 N -2.97 3.14 0.78 0.77 -1.09 -1.26 -4.96 121.20 115.61 1jee s ILE 233 Ca 0.63 1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 59.91 1jee s ILE 233 Cb -0.18 -3.64 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1jee s ILE 233 CO 0.57 0.18 1.05 -0.90 -1.23 0.00 0.00 174.94 174.61 1jee n ASP 234 N 2.07 0.61 0.22 3.58 5.75 -1.26 -4.78 116.55 122.73 1jee n ASP 234 Ca 0.04 0.61 0.07 0.00 -0.01 0.00 0.00 54.79 55.50 1jee n ASP 234 Cb 0.43 -1.45 0.49 0.00 -1.03 0.00 0.00 41.12 39.56 1jee n ASP 234 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jee h HIS 235 N -0.63 0.00 0.03 2.11 2.07 -1.93 -2.17 115.15 114.63 1jee h HIS 235 Ca -0.47 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1jee h HIS 235 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1jee h HIS 235 CO 0.43 0.27 -0.01 0.45 -3.07 0.00 0.00 177.93 176.00 1jee h HIS 236 N 0.00 -0.04 -0.04 6.12 3.86 -1.98 0.87 115.15 123.94 1jee h HIS 236 Ca -0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jee h HIS 236 Cb 0.59 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 1jee h HIS 236 CO 0.00 0.04 0.03 1.15 0.86 0.00 0.00 177.93 180.01 1jee h THR 237 N -0.11 1.04 -0.50 2.45 2.02 -1.90 -2.02 112.91 113.90 1jee h THR 237 Ca -0.00 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1jee h THR 237 Cb 0.09 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1jee h THR 237 CO 0.01 0.04 0.25 0.03 0.37 0.00 0.00 175.52 176.22 1jee h ARG 238 N 0.02 0.48 -0.75 6.66 3.08 -1.02 -0.01 114.38 122.85 1jee h ARG 238 Ca 0.02 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1jee h ARG 238 Cb 0.04 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 1jee h ARG 238 CO -0.00 0.32 0.41 0.28 -1.07 0.00 0.00 179.97 179.91 1jee h VAL 239 N 0.50 0.92 -0.82 2.04 2.07 0.96 0.56 116.25 122.47 1jee h VAL 239 Ca 0.22 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1jee h VAL 239 Cb 0.13 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1jee h VAL 239 CO -0.15 0.13 0.43 0.03 0.02 0.00 0.00 177.57 178.03 1jee h ARG 240 N 0.72 1.15 -0.27 1.57 3.08 -0.57 0.10 114.38 120.16 1jee h ARG 240 Ca 0.35 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1jee h ARG 240 Cb 0.29 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1jee h ARG 240 CO -0.23 0.85 0.08 0.28 -1.07 0.00 0.00 179.97 179.88 1jee h VAL 241 N 1.15 1.21 0.07 2.04 2.07 0.10 -2.04 116.25 120.85 1jee h VAL 241 Ca 0.29 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jee h VAL 241 Cb 0.05 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jee h VAL 241 CO -0.04 0.22 -0.03 1.88 0.02 0.00 0.00 177.57 179.61 1jee h TYR 242 N 0.27 -0.09 -0.18 1.57 0.99 0.55 0.12 116.97 120.21 1jee h TYR 242 Ca 0.09 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.87 1jee h TYR 242 Cb 0.26 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 1jee h TYR 242 CO 0.01 -0.00 0.14 1.96 -0.00 0.00 0.00 178.16 180.27 1jee h GLN 243 N -0.15 0.00 0.04 4.88 4.20 -0.81 0.03 115.11 123.31 1jee h GLN 243 Ca -0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1jee h GLN 243 Cb 0.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.91 1jee h GLN 243 CO 0.02 0.00 -0.33 1.49 -0.67 0.00 0.00 178.83 179.34 1jee h GLU 244 N 0.00 0.14 0.00 1.46 4.57 -0.69 -3.34 114.58 116.73 1jee h GLU 244 Ca 0.09 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 1jee h GLU 244 Cb 0.37 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1jee h GLU 244 CO -0.00 1.05 -0.23 0.97 -1.18 0.00 0.00 179.01 179.62 1jee h ILE 245 N -0.66 0.67 0.00 2.32 2.10 -0.22 -2.82 117.51 118.91 1jee h ILE 245 Ca -0.05 -1.01 -0.01 0.00 1.08 0.00 0.00 64.86 64.87 1jee h ILE 245 Cb 1.20 1.65 -0.00 0.00 -1.09 0.00 0.00 36.82 38.58 1jee h ILE 245 CO 0.06 0.22 -0.03 -0.29 -1.08 0.00 0.00 178.15 177.04 1jee h ILE 246 N 0.00 0.44 0.00 2.19 6.09 -1.12 -0.72 117.51 124.39 1jee h ILE 246 Ca -0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1jee h ILE 246 Cb 0.63 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1jee h ILE 246 CO 0.03 0.03 0.00 0.29 -3.07 0.00 0.00 178.15 175.43 1jee n LYS 247 N -3.66 0.19 -0.02 2.19 5.02 -1.06 -2.68 118.16 118.14 1jee n LYS 247 Ca -0.03 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 1jee n LYS 247 Cb 0.12 -1.82 0.60 0.00 -0.02 0.00 0.00 35.03 33.92 1jee n LYS 247 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jee n ARG 248 N -2.16 1.43 -3.52 1.97 5.12 -0.27 -4.83 116.66 114.39 1jee n ARG 248 Ca 0.03 -0.63 -0.29 0.00 -1.93 0.00 0.00 57.85 55.03 1jee n ARG 248 Cb 0.28 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1jee n ARG 248 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jee s TYR 249 N -1.96 3.48 0.41 -1.55 1.51 -1.09 -5.04 117.35 113.11 1jee s TYR 249 Ca 0.38 0.52 -0.26 0.00 -1.01 0.00 0.00 57.07 56.71 1jee s TYR 249 Cb 0.20 -2.00 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 1jee s TYR 249 CO 0.31 0.29 1.30 -1.25 -1.11 0.00 0.00 175.55 175.09 1jee s PRO 250 N -3.33 3.94 -0.35 -1.71 0.04 -1.26 -4.82 135.00 127.51 1jee s PRO 250 Ca 0.42 2.16 -0.43 0.00 0.04 0.00 0.00 61.00 63.18 1jee s PRO 250 Cb -0.11 -2.73 -0.18 0.00 0.04 0.00 0.00 34.50 31.51 1jee s PRO 250 CO 0.29 -0.52 1.59 0.09 0.04 0.00 0.00 177.00 178.49 1jee n ASN 251 N 0.08 1.54 -0.67 6.66 4.13 -1.26 -1.52 115.26 124.22 1jee n ASN 251 Ca 0.04 1.14 -0.06 0.00 1.68 0.00 0.00 54.58 57.38 1jee n ASN 251 Cb 0.44 -0.99 -0.01 0.00 -1.54 0.00 0.00 39.78 37.68 1jee n ASN 251 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jee n GLY 252 N 3.78 0.23 0.01 7.41 0.00 -1.26 -4.93 105.19 110.43 1jee n GLY 252 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.69 1jee n GLY 252 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jee n ILE 253 N -3.81 0.13 -4.26 -0.61 3.06 -0.57 -5.02 119.36 108.27 1jee n ILE 253 Ca -0.07 -0.32 -0.19 0.00 -2.50 0.00 0.00 62.75 59.66 1jee n ILE 253 Cb 0.50 0.06 -0.11 0.00 0.54 0.00 0.00 39.64 40.63 1jee n ILE 253 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jee s ALA 254 N -2.78 1.59 0.00 1.51 0.00 -1.26 -0.73 121.76 120.09 1jee s ALA 254 Ca -0.05 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1jee s ALA 254 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1jee s ALA 254 CO 0.52 0.15 -0.08 0.12 0.00 0.00 0.00 175.76 176.47 1jee s PHE 255 N -1.99 0.73 -0.09 0.00 5.36 0.19 -4.96 117.98 117.22 1jee s PHE 255 Ca 0.09 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1jee s PHE 255 Cb -0.06 -0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.13 1jee s PHE 255 CO 0.04 -0.01 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.54 1jee s LEU 256 N -0.36 3.10 -0.15 6.12 2.96 -1.26 -1.05 118.68 128.05 1jee s LEU 256 Ca 0.02 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1jee s LEU 256 Cb -0.04 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 45.02 1jee s LEU 256 CO -0.00 0.30 0.36 -0.55 -1.32 0.00 0.00 176.35 175.14 1jee s SER 257 N -0.45 -0.44 -0.02 3.68 0.15 -0.89 -4.98 113.70 110.76 1jee s SER 257 Ca 0.06 0.78 -0.23 0.00 0.70 0.00 0.00 55.95 57.27 1jee s SER 257 Cb -0.12 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 64.82 1jee s SER 257 CO 0.02 -0.18 0.67 -0.76 1.20 0.00 0.00 173.24 174.20 1jee s LEU 258 N 1.19 4.38 -0.29 3.45 1.43 -0.68 -3.37 118.68 124.78 1jee s LEU 258 Ca -0.08 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1jee s LEU 258 Cb -0.08 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.12 1jee s LEU 258 CO -0.10 -0.01 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 1jee s LEU 259 N 0.29 3.79 0.00 1.79 2.96 -0.25 -4.05 118.68 123.21 1jee s LEU 259 Ca 0.35 -0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1jee s LEU 259 Cb -0.18 -1.79 -0.18 0.00 0.50 0.00 0.00 46.19 44.53 1jee s LEU 259 CO 0.19 -0.22 3.07 -0.81 -1.32 0.00 0.00 176.35 177.26 1jee n PRO 260 N 4.76 1.66 -2.98 0.98 -0.04 -1.26 -1.17 135.00 136.94 1jee n PRO 260 Ca -0.14 -0.68 -0.33 0.00 -0.04 0.00 0.00 63.50 62.31 1jee n PRO 260 Cb 0.46 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1jee n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jee s LEU 261 N 0.00 4.03 -0.45 1.53 2.96 -1.26 -4.55 118.68 120.94 1jee s LEU 261 Ca 0.45 1.49 -0.07 0.00 -0.22 0.00 0.00 54.13 55.78 1jee s LEU 261 Cb 0.22 -4.26 0.12 0.00 0.50 0.00 0.00 46.19 42.77 1jee s LEU 261 CO 0.00 -0.26 0.30 0.00 -1.32 0.00 0.00 176.35 175.08 1jee s ALA 262 N -2.03 3.32 0.83 5.97 0.00 -1.26 -1.44 121.76 127.15 1jee s ALA 262 Ca 0.57 -2.53 -0.10 0.00 0.00 0.00 0.00 51.96 49.90 1jee s ALA 262 Cb -0.10 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.41 1jee s ALA 262 CO 0.16 -1.87 1.12 -1.64 0.00 0.00 0.00 175.76 173.53 1jee s MET 263 N 1.30 1.70 0.00 0.00 1.00 0.53 -4.91 119.30 118.91 1jee s MET 263 Ca 0.06 1.35 0.02 0.00 0.00 0.00 0.00 55.69 57.13 1jee s MET 263 Cb -0.25 -1.82 0.02 0.00 0.00 0.00 0.00 34.83 32.78 1jee s MET 263 CO -0.02 -2.09 0.57 0.54 0.00 0.00 0.00 175.02 174.02 1jee n ARG 264 N -3.82 -0.61 -3.86 2.03 3.00 -1.26 -4.77 116.66 107.36 1jee n ARG 264 Ca 0.10 -0.63 -0.27 0.00 -0.01 0.00 0.00 57.85 57.04 1jee n ARG 264 Cb 0.53 -1.04 0.02 0.00 0.00 0.00 0.00 32.46 31.97 1jee n ARG 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1jee n MET 265 N 0.12 -5.17 -1.33 5.56 2.81 -1.26 -3.70 117.12 114.15 1jee n MET 265 Ca 0.01 0.59 -0.31 0.00 -1.81 0.00 0.00 57.70 56.18 1jee n MET 265 Cb 0.06 -5.33 0.06 0.00 -0.71 0.00 0.00 33.22 27.29 1jee n MET 265 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jee n SER 266 N -2.91 7.35 0.00 7.83 2.88 -1.14 -4.26 113.62 123.37 1jee n SER 266 Ca -0.09 -3.60 0.00 0.00 -1.33 0.00 0.00 58.87 53.85 1jee n SER 266 Cb 0.58 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1jee n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jee n GLY 267 N -0.48 1.31 0.19 0.46 0.00 0.44 -1.86 105.19 105.25 1jee n GLY 267 Ca 0.54 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 1jee n GLY 267 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jee h ASP 268 N 0.00 -0.45 -0.65 1.61 2.03 -1.87 -0.37 116.42 116.72 1jee h ASP 268 Ca 0.00 0.14 0.04 0.00 -0.73 0.00 0.00 57.03 56.49 1jee h ASP 268 Cb 0.00 0.30 -0.05 0.00 -0.83 0.00 0.00 39.33 38.75 1jee h ASP 268 CO 0.00 -0.16 0.38 0.03 -1.03 0.00 0.00 179.24 178.46 1jee h ARG 269 N -0.00 0.71 -0.78 4.15 3.08 -1.75 -1.72 114.38 118.06 1jee h ARG 269 Ca 0.23 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1jee h ARG 269 Cb 0.35 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1jee h ARG 269 CO -0.49 0.47 0.32 1.49 -1.07 0.00 0.00 179.97 180.69 1jee h GLU 270 N 0.73 1.16 -0.90 0.04 4.81 -0.57 -1.06 114.58 118.78 1jee h GLU 270 Ca 0.28 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1jee h GLU 270 Cb 0.11 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1jee h GLU 270 CO -0.15 0.93 0.55 0.00 -0.73 0.00 0.00 179.01 179.61 1jee h ALA 271 N 1.22 1.28 -0.08 2.92 0.00 -0.21 0.92 119.26 125.30 1jee h ALA 271 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jee h ALA 271 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jee h ALA 271 CO -0.02 0.24 0.04 0.28 0.00 0.00 0.00 179.25 179.78 1jee h VAL 272 N 0.95 1.13 -0.54 0.00 2.07 -0.88 -1.17 116.25 117.82 1jee h VAL 272 Ca 0.42 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1jee h VAL 272 Cb 0.29 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1jee h VAL 272 CO -0.21 0.12 0.28 -0.25 0.02 0.00 0.00 177.57 177.53 1jee h TRP 273 N -0.01 0.52 -0.55 1.57 7.01 0.10 -1.27 115.95 123.32 1jee h TRP 273 Ca 0.03 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1jee h TRP 273 Cb 0.15 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1jee h TRP 273 CO -0.02 0.26 0.31 0.45 -2.79 0.00 0.00 178.44 176.65 1jee h HIS 274 N 0.55 0.59 -0.72 2.65 3.86 0.11 0.01 115.15 122.19 1jee h HIS 274 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1jee h HIS 274 Cb 0.13 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1jee h HIS 274 CO -0.09 0.32 0.33 0.00 0.86 0.00 0.00 177.93 179.35 1jee h ALA 275 N 1.26 0.93 -0.59 2.45 0.00 -0.82 0.25 119.26 122.75 1jee h ALA 275 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jee h ALA 275 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1jee h ALA 275 CO -0.12 0.51 0.23 0.82 0.00 0.00 0.00 179.25 180.69 1jee h ILE 276 N 1.02 1.23 -0.36 0.00 2.04 -0.58 -0.86 117.51 120.00 1jee h ILE 276 Ca 0.25 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1jee h ILE 276 Cb 0.14 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1jee h ILE 276 CO -0.03 0.28 0.05 0.40 0.00 0.00 0.00 178.15 178.85 1jee h ILE 277 N 0.81 1.24 -0.35 -0.67 2.04 -0.62 -2.21 117.51 117.74 1jee h ILE 277 Ca 0.19 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1jee h ILE 277 Cb 0.21 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1jee h ILE 277 CO -0.02 0.29 0.01 0.03 0.00 0.00 0.00 178.15 178.46 1jee h ARG 278 N 0.43 0.54 -0.41 2.37 -0.00 -0.31 -2.09 114.38 114.91 1jee h ARG 278 Ca 0.11 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1jee h ARG 278 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 1jee h ARG 278 CO 0.01 0.56 0.21 -0.22 0.00 0.00 0.00 179.97 180.52 1jee h LYS 279 N 0.52 0.59 -0.69 0.04 3.64 -0.95 -1.38 116.57 118.33 1jee h LYS 279 Ca 0.11 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1jee h LYS 279 Cb 0.32 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1jee h LYS 279 CO 0.01 0.49 0.46 -0.91 -2.27 0.00 0.00 179.45 177.23 1jee h ASN 280 N 0.53 0.74 0.00 4.20 2.35 -0.96 -1.61 115.58 120.83 1jee h ASN 280 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1jee h ASN 280 Cb 0.09 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1jee h ASN 280 CO -0.02 0.52 0.00 -1.22 -1.65 0.00 0.00 177.43 175.06 1jee n TYR 281 N -4.45 0.00 -0.05 1.19 4.01 -0.83 -4.84 117.16 112.19 1jee n TYR 281 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1jee n TYR 281 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1jee n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jee n GLY 282 N 0.49 0.77 3.81 2.72 0.00 -0.60 -4.26 105.19 108.12 1jee n GLY 282 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1jee n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jee s ALA 283 N -2.04 3.15 -0.43 4.61 0.00 -0.58 -4.69 121.76 121.78 1jee s ALA 283 Ca 0.00 0.36 0.17 0.00 0.00 0.00 0.00 51.96 52.49 1jee s ALA 283 Cb 0.00 -3.08 -0.22 0.00 0.00 0.00 0.00 23.12 19.82 1jee s ALA 283 CO 0.00 0.19 0.55 -1.13 0.00 0.00 0.00 175.76 175.36 1jee n SER 284 N -0.18 0.93 -3.89 0.00 3.41 -0.55 -4.32 113.62 109.02 1jee n SER 284 Ca 0.04 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.07 1jee n SER 284 Cb 0.53 1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 65.73 1jee n SER 284 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jee s HIS 285 N -2.84 0.07 -0.02 7.33 3.76 -0.76 -2.12 115.29 120.71 1jee s HIS 285 Ca 0.00 -0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1jee s HIS 285 Cb 0.12 -0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.77 1jee s HIS 285 CO 0.69 -0.26 0.03 0.12 -0.85 0.00 0.00 174.74 174.47 1jee s PHE 286 N -1.31 0.07 0.29 1.40 5.36 -0.17 -0.44 117.98 123.18 1jee s PHE 286 Ca -0.14 0.13 -0.27 0.00 -0.96 0.00 0.00 56.93 55.68 1jee s PHE 286 Cb -0.08 -0.29 -0.10 0.00 -0.34 0.00 0.00 43.02 42.22 1jee s PHE 286 CO 0.01 -0.11 0.95 0.42 -1.46 0.00 0.00 175.22 175.04 1jee s ILE 287 N 1.18 4.12 -0.31 3.12 1.01 -0.87 -0.79 121.20 128.66 1jee s ILE 287 Ca -0.08 1.89 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 1jee s ILE 287 Cb -0.13 -4.11 0.12 0.00 0.01 0.00 0.00 42.46 38.35 1jee s ILE 287 CO -0.03 0.27 0.17 -0.69 0.00 0.00 0.00 174.94 174.66 1jee s VAL 288 N -1.45 -0.03 0.00 2.92 1.01 -0.85 -4.73 120.40 117.27 1jee s VAL 288 Ca 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1jee s VAL 288 Cb -0.22 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1jee s VAL 288 CO 0.27 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1jee n GLY 289 N 4.87 0.73 3.74 4.51 0.00 -1.26 -2.10 105.19 115.67 1jee n GLY 289 Ca -0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1jee n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jee s ARG 290 N 1.32 4.48 -1.52 1.61 3.52 -1.22 -3.65 118.95 123.48 1jee s ARG 290 Ca 0.00 1.89 -0.06 0.00 -0.13 0.00 0.00 55.73 57.43 1jee s ARG 290 Cb 0.00 -3.24 0.05 0.00 -1.56 0.00 0.00 34.95 30.20 1jee s ARG 290 CO 0.00 -0.11 0.48 -3.47 -0.81 0.00 0.00 175.30 171.39 1jee n ASP 291 N 2.54 -1.09 -4.71 -2.12 4.64 0.13 -4.85 116.55 111.10 1jee n ASP 291 Ca 0.05 -1.04 -0.42 0.00 -1.38 0.00 0.00 54.79 51.99 1jee n ASP 291 Cb 0.44 -2.77 -0.03 0.00 -1.04 0.00 0.00 41.12 37.73 1jee n ASP 291 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 1jee n HIS 292 N -4.42 2.70 -1.85 -0.67 -0.00 -1.24 -1.53 115.22 108.21 1jee n HIS 292 Ca -0.19 0.03 -0.17 0.00 -0.00 0.00 0.00 57.72 57.39 1jee n HIS 292 Cb 0.63 -2.67 -0.05 0.00 -0.00 0.00 0.00 29.99 27.90 1jee n HIS 292 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jee n ALA 293 N 4.15 -0.43 -2.59 1.57 0.00 -1.26 -4.19 120.51 117.77 1jee n ALA 293 Ca 0.16 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.45 1jee n ALA 293 Cb 0.35 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1jee n ALA 293 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jee s GLY 294 N -2.28 2.39 -0.21 0.00 0.00 -0.58 -0.42 107.32 106.23 1jee s GLY 294 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1jee s GLY 294 CO 0.00 -0.03 1.40 -1.55 0.00 0.00 0.00 173.10 172.93 1jee n PRO 295 N 1.62 1.88 0.00 2.90 -0.04 -1.26 -4.97 135.00 135.13 1jee n PRO 295 Ca -0.14 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1jee n PRO 295 Cb 0.53 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1jee n PRO 295 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jee n GLY 296 N -0.21 1.72 3.51 0.55 0.00 -1.26 -4.84 105.19 104.65 1jee n GLY 296 Ca 0.27 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1jee n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jee s LYS 297 N 0.00 1.82 0.80 1.61 1.02 -1.26 -1.61 119.74 122.12 1jee s LYS 297 Ca 0.00 -1.53 -0.08 0.00 0.02 0.00 0.00 55.97 54.38 1jee s LYS 297 Cb 0.00 -1.94 0.13 0.00 -0.52 0.00 0.00 37.83 35.49 1jee s LYS 297 CO 0.00 0.38 1.12 0.54 -0.92 0.00 0.00 175.35 176.47 1jee s ASN 298 N -3.13 4.09 0.57 2.83 6.03 0.01 -4.87 114.94 120.47 1jee s ASN 298 Ca 0.26 0.18 0.30 0.00 -1.03 0.00 0.00 52.86 52.57 1jee s ASN 298 Cb -0.07 -0.54 1.45 0.00 -3.03 0.00 0.00 41.25 39.06 1jee s ASN 298 CO 0.14 -2.07 1.86 0.77 -2.03 0.00 0.00 177.10 175.77 1jee h SER 299 N -0.96 0.00 -0.12 3.54 4.64 -1.99 0.30 113.55 118.96 1jee h SER 299 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1jee h SER 299 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1jee h SER 299 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1jee n LYS 300 N -3.87 1.47 -0.67 4.77 5.02 -1.26 -4.92 118.16 118.69 1jee n LYS 300 Ca 0.13 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1jee n LYS 300 Cb 0.82 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1jee n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jee n GLY 301 N 0.98 1.34 3.86 0.72 0.00 0.10 -5.04 105.19 107.16 1jee n GLY 301 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1jee n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jee s VAL 302 N -3.54 4.74 0.33 1.61 0.11 -1.26 -4.75 120.40 117.64 1jee s VAL 302 Ca 0.00 0.83 -0.28 0.00 -2.93 0.00 0.00 61.98 59.60 1jee s VAL 302 Cb 0.00 -3.61 -0.10 0.00 -1.53 0.00 0.00 36.38 31.14 1jee s VAL 302 CO 0.00 -0.17 1.19 -1.81 -3.33 0.00 0.00 175.10 170.98 1jee s ASP 303 N -2.32 6.90 0.11 3.54 -0.00 -1.26 -0.81 116.67 122.83 1jee s ASP 303 Ca 0.53 2.44 -0.05 0.00 -0.00 0.00 0.00 52.55 55.46 1jee s ASP 303 Cb -0.10 -2.63 -0.14 0.00 -0.00 0.00 0.00 42.92 40.05 1jee s ASP 303 CO 0.19 -0.42 1.26 -0.26 -0.00 0.00 0.00 175.17 175.94 1jee h PHE 304 N 3.36 0.63 -4.10 4.23 -1.00 -1.66 -3.46 116.94 114.94 1jee h PHE 304 Ca -0.48 -0.36 -0.15 0.00 2.81 0.00 0.00 57.97 59.78 1jee h PHE 304 Cb 1.22 -0.06 -0.16 0.00 3.61 0.00 0.00 35.95 40.56 1jee h PHE 304 CO 0.57 1.20 -0.69 0.71 -1.61 0.00 0.00 178.31 178.49 1jee s TYR 305 N -3.16 0.60 0.54 -0.55 1.51 -1.26 -5.03 117.35 109.99 1jee s TYR 305 Ca -0.06 -0.97 -0.19 0.00 -1.01 0.00 0.00 57.07 54.83 1jee s TYR 305 Cb 0.08 -0.41 -0.06 0.00 -0.11 0.00 0.00 41.96 41.46 1jee s TYR 305 CO 0.88 -0.30 1.11 0.20 -1.11 0.00 0.00 175.55 176.32 1jee s GLY 306 N -2.81 2.57 0.16 0.71 0.00 -1.26 -4.87 107.32 101.82 1jee s GLY 306 Ca 0.06 0.75 0.10 0.00 0.00 0.00 0.00 44.72 45.63 1jee s GLY 306 CO -0.08 1.10 1.27 -1.55 0.00 0.00 0.00 173.10 173.84 1jee n PRO 307 N -1.32 0.06 -0.37 2.90 -0.04 -1.26 -2.18 135.00 132.79 1jee n PRO 307 Ca 0.11 0.54 0.04 0.00 -0.04 0.00 0.00 63.50 64.15 1jee n PRO 307 Cb 0.51 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1jee n PRO 307 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jee n TYR 308 N -1.83 0.00 -0.21 0.54 4.02 -1.26 0.21 117.16 118.63 1jee n TYR 308 Ca -0.01 -0.40 -0.08 0.00 -0.01 0.00 0.00 57.90 57.40 1jee n TYR 308 Cb 0.06 -0.09 0.03 0.00 -0.02 0.00 0.00 39.34 39.32 1jee n TYR 308 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1jee h ASP 309 N 0.04 0.85 -0.94 7.72 3.45 -1.80 -2.15 116.42 123.59 1jee h ASP 309 Ca -0.01 -0.20 0.02 0.00 0.43 0.00 0.00 57.03 57.27 1jee h ASP 309 Cb 1.26 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 39.76 1jee h ASP 309 CO 0.00 0.82 0.62 0.00 -1.57 0.00 0.00 179.24 179.11 1jee h ALA 310 N 1.06 1.21 -0.58 3.45 0.00 -1.87 0.11 119.26 122.64 1jee h ALA 310 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jee h ALA 310 Cb 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jee h ALA 310 CO -0.01 0.55 0.20 1.96 0.00 0.00 0.00 179.25 181.95 1jee h GLN 311 N 1.24 0.89 -0.32 0.00 4.20 -1.80 -0.17 115.11 119.14 1jee h GLN 311 Ca 0.36 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1jee h GLN 311 Cb -0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1jee h GLN 311 CO -0.09 0.79 0.04 0.93 -0.67 0.00 0.00 178.83 179.83 1jee h GLU 312 N 0.81 0.55 -0.44 1.46 5.08 -0.65 -0.44 114.58 120.94 1jee h GLU 312 Ca 0.19 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1jee h GLU 312 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jee h GLU 312 CO -0.01 0.65 0.21 1.25 -1.00 0.00 0.00 179.01 180.11 1jee h LEU 313 N 0.37 0.58 -1.13 1.33 6.46 -0.67 -1.18 115.31 121.07 1jee h LEU 313 Ca 0.10 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1jee h LEU 313 Cb 0.38 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1jee h LEU 313 CO 0.01 0.54 0.10 0.58 -0.62 0.00 0.00 178.44 179.05 1jee h VAL 314 N 0.57 1.21 -0.44 1.05 2.07 -0.95 -2.44 116.25 117.32 1jee h VAL 314 Ca 0.15 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 1jee h VAL 314 Cb 0.12 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1jee h VAL 314 CO -0.02 0.28 -0.11 -0.08 0.02 0.00 0.00 177.57 177.66 1jee h GLU 315 N 0.69 0.79 0.00 1.57 4.57 -0.55 -2.10 114.58 119.55 1jee h GLU 315 Ca 0.15 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1jee h GLU 315 Cb 0.28 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1jee h GLU 315 CO -0.00 0.87 -0.19 0.66 -1.18 0.00 0.00 179.01 179.17 1jee h SER 316 N 0.72 0.00 -0.38 1.04 4.64 -0.76 -2.73 113.55 116.08 1jee h SER 316 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jee h SER 316 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1jee h SER 316 CO 0.04 0.19 0.00 -1.22 -0.87 0.00 0.00 176.83 174.97 1jee n TYR 317 N -3.36 0.49 -0.31 4.77 0.53 -1.05 -4.70 117.16 113.53 1jee n TYR 317 Ca 0.00 -0.26 0.15 0.00 -1.02 0.00 0.00 57.90 56.77 1jee n TYR 317 Cb 0.41 -0.00 0.29 0.00 -1.03 0.00 0.00 39.34 39.01 1jee n TYR 317 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1jee n LYS 318 N 1.41 -0.07 0.00 -0.72 4.81 -0.82 -0.79 118.16 121.99 1jee n LYS 318 Ca 0.18 1.32 0.13 0.00 -0.87 0.00 0.00 58.31 59.08 1jee n LYS 318 Cb 0.58 -2.13 0.66 0.00 0.02 0.00 0.00 35.03 34.16 1jee n LYS 318 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jee n HIS 319 N -5.27 0.00 -0.22 5.64 8.25 -1.26 -3.44 115.22 118.91 1jee n HIS 319 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1jee n HIS 319 Cb 0.74 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1jee n HIS 319 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1jee n GLU 320 N -1.34 0.77 0.07 -0.41 0.28 0.03 -4.61 120.64 115.43 1jee n GLU 320 Ca 0.11 -0.83 -0.06 0.00 -0.16 0.00 0.00 57.16 56.22 1jee n GLU 320 Cb 0.24 -0.89 -0.10 0.00 1.43 0.00 0.00 31.44 32.12 1jee n GLU 320 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1jee h LEU 321 N 0.00 0.00 2.43 -1.84 3.38 -1.44 -3.47 115.31 114.37 1jee h LEU 321 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1jee h LEU 321 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1jee h LEU 321 CO 0.00 0.94 -0.46 -0.67 0.09 0.00 0.00 178.44 178.35 1jee n ASP 322 N -3.33 -5.37 -3.71 -0.43 2.03 -1.26 -4.94 116.55 99.54 1jee n ASP 322 Ca -0.00 0.14 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 1jee n ASP 322 Cb 0.92 -4.56 -0.13 0.00 -0.72 0.00 0.00 41.12 36.63 1jee n ASP 322 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1jee s ILE 323 N -2.87 -0.13 0.09 5.18 2.07 -1.26 -4.82 121.20 119.47 1jee s ILE 323 Ca 0.00 0.18 -0.31 0.00 -1.41 0.00 0.00 60.65 59.11 1jee s ILE 323 Cb 0.00 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 42.13 1jee s ILE 323 CO 0.00 0.07 1.22 -1.61 -1.91 0.00 0.00 174.94 172.71 1jee s GLU 324 N 1.54 4.43 -0.20 3.50 2.02 -0.90 -4.87 118.70 124.23 1jee s GLU 324 Ca -0.07 1.83 -0.13 0.00 0.02 0.00 0.00 54.97 56.62 1jee s GLU 324 Cb -0.11 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1jee s GLU 324 CO -0.09 -0.24 0.26 0.08 0.02 0.00 0.00 175.26 175.29 1jee s VAL 325 N 0.83 5.31 -0.59 2.63 1.01 -1.26 -1.00 120.40 127.33 1jee s VAL 325 Ca 0.58 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 1jee s VAL 325 Cb -0.31 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.62 1jee s VAL 325 CO 0.31 0.35 0.53 -0.69 0.00 0.00 0.00 175.10 175.60 1jee s VAL 326 N 0.79 5.12 0.41 2.92 1.01 0.03 -4.92 120.40 125.77 1jee s VAL 326 Ca 0.13 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 1jee s VAL 326 Cb -0.13 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1jee s VAL 326 CO 0.04 -0.89 1.00 -2.16 0.00 0.00 0.00 175.10 173.09 1jee s PRO 327 N 1.24 4.18 0.00 2.72 0.04 -1.26 -2.01 135.00 139.92 1jee s PRO 327 Ca 0.07 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1jee s PRO 327 Cb -0.25 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.88 1jee s PRO 327 CO -0.00 -0.10 -0.01 -0.06 0.04 0.00 0.00 177.00 176.87 1jee s PHE 328 N -1.85 0.09 0.44 0.56 0.08 -0.89 -4.91 117.98 111.49 1jee s PHE 328 Ca 0.60 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.60 1jee s PHE 328 Cb -0.17 -0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 1jee s PHE 328 CO 0.21 -0.03 0.63 1.03 -0.10 0.00 0.00 175.22 176.96 1jee s ARG 329 N -0.22 2.85 -0.56 0.44 3.00 -1.26 -3.44 118.95 119.75 1jee s ARG 329 Ca -0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 55.73 54.38 1jee s ARG 329 Cb -0.02 -2.66 -0.19 0.00 0.00 0.00 0.00 34.95 32.09 1jee s ARG 329 CO -0.00 -0.33 2.17 -0.12 0.00 0.00 0.00 175.30 177.02 1jee n MET 330 N -1.99 0.00 -2.90 3.54 0.00 -1.26 -4.54 117.12 109.97 1jee n MET 330 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.34 1jee n MET 330 Cb 0.59 -1.46 -0.04 0.00 0.00 0.00 0.00 33.22 32.31 1jee n MET 330 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1jee s VAL 331 N 6.31 4.93 0.31 1.12 1.01 -1.26 -0.56 120.40 132.25 1jee s VAL 331 Ca 1.19 1.66 0.03 0.00 0.00 0.00 0.00 61.98 64.86 1jee s VAL 331 Cb -1.42 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 30.76 1jee s VAL 331 CO 0.62 0.12 0.09 0.28 0.00 0.00 0.00 175.10 176.21 1jee s THR 332 N 1.53 0.77 0.07 3.92 -1.32 -0.49 -4.92 115.64 115.21 1jee s THR 332 Ca 0.41 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.71 1jee s THR 332 Cb -0.18 -2.64 -0.07 0.00 -1.51 0.00 0.00 72.50 68.10 1jee s THR 332 CO 0.17 0.00 0.53 -0.47 -2.21 0.00 0.00 174.62 172.64 1jee s TYR 333 N -3.49 3.75 -0.54 9.09 5.04 -0.82 -1.36 117.35 129.03 1jee s TYR 333 Ca 0.35 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1jee s TYR 333 Cb 0.07 -2.43 0.14 0.00 0.35 0.00 0.00 41.96 40.09 1jee s TYR 333 CO 0.15 0.57 0.32 -0.51 -1.34 0.00 0.00 175.55 174.73 1jee s LEU 334 N -1.28 4.90 0.00 6.97 1.43 0.35 -0.74 118.68 130.31 1jee s LEU 334 Ca 0.30 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.66 1jee s LEU 334 Cb -0.18 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1jee s LEU 334 CO 0.18 -0.35 0.58 -2.65 0.23 0.00 0.00 176.35 174.34 1jee n PRO 335 N 3.57 0.00 0.26 1.29 -0.02 -1.25 -0.30 135.00 138.55 1jee n PRO 335 Ca 0.05 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1jee n PRO 335 Cb 0.37 -1.08 0.04 0.00 -0.02 0.00 0.00 33.50 32.81 1jee n PRO 335 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jee h ASP 336 N 0.00 0.00 0.00 2.55 3.45 -1.95 0.52 116.42 120.98 1jee h ASP 336 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1jee h ASP 336 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1jee h ASP 336 CO 0.00 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.05 1jee n GLU 337 N -2.20 0.23 -3.43 3.56 1.02 -0.88 -5.06 120.64 113.89 1jee n GLU 337 Ca -0.00 -0.35 -0.27 0.00 -0.02 0.00 0.00 57.16 56.52 1jee n GLU 337 Cb 0.86 -0.84 0.02 0.00 -0.02 0.00 0.00 31.44 31.46 1jee n GLU 337 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jee n ASP 338 N -0.13 -5.97 -3.64 1.62 4.64 0.18 -5.00 116.55 108.24 1jee n ASP 338 Ca 0.00 -0.23 -0.02 0.00 -1.38 0.00 0.00 54.79 53.16 1jee n ASP 338 Cb 0.03 -2.63 -0.03 0.00 -1.04 0.00 0.00 41.12 37.46 1jee n ASP 338 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jee s ARG 339 N -3.15 0.05 0.29 -0.67 1.70 -1.19 -5.02 118.95 110.96 1jee s ARG 339 Ca 0.23 -0.01 0.07 0.00 -0.47 0.00 0.00 55.73 55.55 1jee s ARG 339 Cb -0.03 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.34 1jee s ARG 339 CO 0.85 -0.02 0.30 0.71 -1.08 0.00 0.00 175.30 176.07 1jee s TYR 340 N -1.81 3.09 -0.13 5.89 1.51 -1.26 -0.49 117.35 124.14 1jee s TYR 340 Ca 0.11 -0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 1jee s TYR 340 Cb -0.01 -1.67 0.13 0.00 -0.11 0.00 0.00 41.96 40.29 1jee s TYR 340 CO -0.04 0.30 1.01 0.00 -1.11 0.00 0.00 175.55 175.71 1jee s ALA 341 N -2.18 -1.93 0.24 3.71 0.00 -0.46 -4.94 121.76 116.20 1jee s ALA 341 Ca 0.38 1.47 -0.31 0.00 0.00 0.00 0.00 51.96 53.51 1jee s ALA 341 Cb -0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 23.12 22.50 1jee s ALA 341 CO 0.27 -0.42 1.57 -2.14 0.00 0.00 0.00 175.76 175.04 1jee s PRO 342 N -1.70 4.18 0.60 0.00 0.02 -1.26 -1.40 135.00 135.44 1jee s PRO 342 Ca 0.01 2.47 0.35 0.00 0.02 0.00 0.00 61.00 63.85 1jee s PRO 342 Cb -0.01 -3.08 1.95 0.00 0.02 0.00 0.00 34.50 33.38 1jee s PRO 342 CO -0.02 -0.59 2.25 0.97 -0.33 0.00 0.00 177.00 179.28 1jee h ILE 343 N 3.64 0.33 0.00 2.83 6.09 -1.07 -1.49 117.51 127.84 1jee h ILE 343 Ca -0.45 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1jee h ILE 343 Cb 1.21 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.59 1jee h ILE 343 CO 0.84 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 175.04 1jee n ASP 344 N -3.52 0.58 -2.14 2.19 5.75 -1.26 -3.09 116.55 115.06 1jee n ASP 344 Ca -0.03 0.65 -0.25 0.00 -0.01 0.00 0.00 54.79 55.15 1jee n ASP 344 Cb 0.11 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.45 1jee n ASP 344 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jee n GLN 345 N -2.15 3.55 0.00 0.11 10.64 -0.56 -5.01 117.38 123.96 1jee n GLN 345 Ca 0.02 -4.21 0.00 0.00 -1.83 0.00 0.00 57.00 50.98 1jee n GLN 345 Cb 0.21 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.32 1jee n GLN 345 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1jee n ILE 346 N -0.66 0.00 0.00 -0.39 -5.35 -1.18 -4.95 119.36 106.83 1jee n ILE 346 Ca 0.44 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.92 1jee n ILE 346 Cb 0.89 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 1jee n ILE 346 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1jee n ASP 347 N 0.00 0.00 -0.92 7.28 4.64 -1.26 -4.85 116.55 121.44 1jee n ASP 347 Ca 0.00 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.30 1jee n ASP 347 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.03 1jee n ASP 347 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1jee n THR 348 N 0.00 0.00 0.00 5.18 -1.04 -1.26 -1.93 114.28 115.22 1jee n THR 348 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jee n THR 348 Cb 0.00 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1jee n THR 348 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1jee n THR 349 N -2.09 0.00 0.11 12.58 -1.04 -1.26 -4.63 114.28 117.95 1jee n THR 349 Ca -0.11 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.09 1jee n THR 349 Cb 0.56 0.00 0.76 0.00 -1.82 0.00 0.00 70.33 69.83 1jee n THR 349 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1jee h LYS 350 N 0.11 0.00 -5.42 -2.82 1.57 -1.80 -3.39 116.57 104.83 1jee h LYS 350 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1jee h LYS 350 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1jee h LYS 350 CO 0.00 0.00 -0.84 0.99 -0.57 0.00 0.00 179.45 179.03 1jee s THR 351 N -4.64 1.51 -0.18 -0.16 2.01 -0.82 -5.07 115.64 108.30 1jee s THR 351 Ca -0.04 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.06 1jee s THR 351 Cb 0.16 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1jee s THR 351 CO 0.55 0.43 0.27 -0.60 -0.69 0.00 0.00 174.62 174.59 1jee s ARG 352 N -0.01 4.22 0.44 4.92 3.52 -1.26 -4.58 118.95 126.19 1jee s ARG 352 Ca -0.03 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 55.66 1jee s ARG 352 Cb -0.11 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1jee s ARG 352 CO 0.02 0.19 0.50 0.25 -0.81 0.00 0.00 175.30 175.45 1jee n THR 353 N 3.75 0.00 -3.67 4.11 -2.24 -1.26 -3.86 114.28 111.12 1jee n THR 353 Ca -0.12 -1.57 -0.12 0.00 -2.27 0.00 0.00 64.05 59.97 1jee n THR 353 Cb 0.52 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1jee n THR 353 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jee s LEU 354 N 0.00 -0.39 -0.21 3.22 1.43 0.08 -4.81 118.68 118.01 1jee s LEU 354 Ca 0.38 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1jee s LEU 354 Cb -0.03 2.03 0.11 0.00 0.03 0.00 0.00 46.19 48.33 1jee s LEU 354 CO 0.24 -0.21 0.33 0.21 0.23 0.00 0.00 176.35 177.14 1jee s ASN 355 N 0.72 0.46 -0.82 2.29 3.84 -1.26 -1.94 114.94 118.23 1jee s ASN 355 Ca -0.03 0.30 -0.17 0.00 0.21 0.00 0.00 52.86 53.16 1jee s ASN 355 Cb -0.05 0.90 0.15 0.00 -0.55 0.00 0.00 41.25 41.70 1jee s ASN 355 CO -0.05 -0.29 0.92 -0.63 -2.79 0.00 0.00 177.10 174.27 1jee s ILE 356 N 2.48 5.01 0.76 -5.21 1.01 -1.26 -5.04 121.20 118.95 1jee s ILE 356 Ca 0.07 -1.69 -0.15 0.00 0.00 0.00 0.00 60.65 58.88 1jee s ILE 356 Cb -0.14 -4.62 0.03 0.00 0.01 0.00 0.00 42.46 37.74 1jee s ILE 356 CO -0.13 -1.28 1.05 -1.54 0.00 0.00 0.00 174.94 173.04 1jee n SER 357 N 5.74 0.66 -0.29 3.58 3.41 -1.26 -4.72 113.62 120.73 1jee n SER 357 Ca 0.13 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1jee n SER 357 Cb 0.47 -1.44 0.34 0.00 -0.26 0.00 0.00 64.21 63.31 1jee n SER 357 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jee h GLY 358 N -0.50 1.34 0.00 5.00 0.00 -1.98 -1.02 103.07 105.91 1jee h GLY 358 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1jee h GLY 358 CO 0.46 0.11 0.00 2.41 0.00 0.00 0.00 176.54 179.52 1jee n THR 359 N -4.58 0.00 0.26 4.70 -1.04 -1.26 -0.80 114.28 111.56 1jee n THR 359 Ca 0.18 1.13 0.15 0.00 -2.04 0.00 0.00 64.05 63.47 1jee n THR 359 Cb 0.44 -1.79 0.66 0.00 -1.82 0.00 0.00 70.33 67.83 1jee n THR 359 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1jee h GLU 360 N 0.00 0.00 -0.35 -2.82 4.22 -1.81 0.25 114.58 114.06 1jee h GLU 360 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 1jee h GLU 360 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jee h GLU 360 CO 0.00 0.00 -0.27 1.25 -2.18 0.00 0.00 179.01 177.81 1jee h LEU 361 N 0.00 0.85 -0.34 1.64 5.85 0.38 -2.62 115.31 121.08 1jee h LEU 361 Ca 0.06 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1jee h LEU 361 Cb 1.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1jee h LEU 361 CO -0.00 1.11 0.18 0.03 -0.34 0.00 0.00 178.44 179.42 1jee h ARG 362 N 0.59 0.48 -0.64 1.25 2.47 0.12 -2.47 114.38 116.18 1jee h ARG 362 Ca 0.07 -0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 1jee h ARG 362 Cb 0.84 -0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.95 1jee h ARG 362 CO 0.07 0.41 -0.19 -0.09 0.56 0.00 0.00 179.97 180.74 1jee h ARG 363 N 0.41 -0.02 -0.22 0.04 2.43 -1.25 0.47 114.38 116.24 1jee h ARG 363 Ca 0.12 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1jee h ARG 363 Cb 0.08 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1jee h ARG 363 CO -0.02 -0.02 -0.41 0.00 -1.51 0.00 0.00 179.97 178.01 1jee h ARG 364 N -0.03 0.53 -0.24 0.20 3.08 -1.38 -0.67 114.38 115.88 1jee h ARG 364 Ca 0.30 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1jee h ARG 364 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1jee h ARG 364 CO -0.68 0.85 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.88 1jee h LEU 365 N 0.44 0.38 0.00 3.04 3.38 -0.50 0.36 115.31 122.41 1jee h LEU 365 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jee h LEU 365 Cb 0.91 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jee h LEU 365 CO 0.08 0.54 -0.44 -0.09 0.09 0.00 0.00 178.44 178.62 1jee h ARG 366 N 0.37 0.00 -0.12 1.13 2.43 0.09 -3.15 114.38 115.13 1jee h ARG 366 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jee h ARG 366 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1jee h ARG 366 CO 0.03 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.82 1jee n VAL 367 N -2.35 1.50 -1.32 0.20 0.24 -0.28 -1.61 118.33 114.71 1jee n VAL 367 Ca 0.03 -1.53 -0.11 0.00 -2.04 0.00 0.00 64.34 60.70 1jee n VAL 367 Cb 0.46 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.93 1jee n VAL 367 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jee n GLY 368 N -0.56 1.05 3.74 7.63 0.00 0.94 -4.94 105.19 113.05 1jee n GLY 368 Ca 0.11 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1jee n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jee s GLY 369 N -2.42 2.29 -0.04 -0.02 0.00 0.64 -4.96 107.32 102.81 1jee s GLY 369 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 1jee s GLY 369 CO 0.00 1.16 0.98 1.85 0.00 0.00 0.00 173.10 177.09 1jee s GLU 370 N -3.96 4.51 -0.36 2.90 2.56 -1.26 -4.71 118.70 118.38 1jee s GLU 370 Ca 0.72 1.39 -0.13 0.00 0.00 0.00 0.00 54.97 56.95 1jee s GLU 370 Cb -0.26 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.38 1jee s GLU 370 CO 0.44 -0.14 0.25 0.42 -0.56 0.00 0.00 175.26 175.66 1jee s ILE 371 N 1.36 5.10 0.02 -3.70 1.01 -1.26 -5.04 121.20 118.69 1jee s ILE 371 Ca 0.50 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1jee s ILE 371 Cb -0.20 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1jee s ILE 371 CO 0.24 -0.13 0.15 -2.65 0.00 0.00 0.00 174.94 172.55 1jee n PRO 372 N 5.10 0.00 -0.02 2.79 -0.02 -1.26 -4.81 135.00 136.78 1jee n PRO 372 Ca -0.12 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.35 1jee n PRO 372 Cb 0.48 -0.24 0.27 0.00 -0.02 0.00 0.00 33.50 33.99 1jee n PRO 372 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jee h GLU 373 N 0.38 0.57 -0.07 -0.52 4.39 -1.96 -2.71 114.58 114.65 1jee h GLU 373 Ca -0.07 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 1jee h GLU 373 Cb 0.27 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1jee h GLU 373 CO 0.12 0.60 -0.61 0.11 -1.16 0.00 0.00 179.01 178.06 1jee h TRP 374 N 0.54 0.32 0.21 4.33 5.08 -2.02 -3.35 115.95 121.07 1jee h TRP 374 Ca 0.11 -0.12 -0.01 0.00 1.08 0.00 0.00 58.89 59.95 1jee h TRP 374 Cb 0.36 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1jee h TRP 374 CO 0.01 0.80 -0.10 0.35 -1.28 0.00 0.00 178.44 178.22 1jee h PHE 375 N 0.18 -0.26 -3.85 0.12 3.57 -1.82 -3.44 116.94 111.44 1jee h PHE 375 Ca -0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1jee h PHE 375 Cb 1.12 0.09 -0.15 0.00 2.79 0.00 0.00 35.95 39.80 1jee h PHE 375 CO 0.02 -0.01 -0.44 0.45 -2.23 0.00 0.00 178.31 176.10 1jee s SER 376 N -5.12 0.18 0.52 0.41 0.15 -1.20 -1.94 113.70 106.70 1jee s SER 376 Ca -0.15 -0.67 -0.21 0.00 0.70 0.00 0.00 55.95 55.63 1jee s SER 376 Cb 0.04 0.30 -0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1jee s SER 376 CO 0.62 -0.67 1.17 -0.31 1.20 0.00 0.00 173.24 175.25 1jee s TYR 377 N -3.61 2.68 0.08 3.44 1.51 -1.26 -4.65 117.35 115.54 1jee s TYR 377 Ca 0.03 1.53 -0.23 0.00 -1.01 0.00 0.00 57.07 57.39 1jee s TYR 377 Cb 0.04 -3.38 -0.15 0.00 -0.11 0.00 0.00 41.96 38.36 1jee s TYR 377 CO -0.09 -1.72 1.70 -1.00 -1.11 0.00 0.00 175.55 173.33 1jee h PRO 378 N 1.46 -0.01 -0.64 -1.71 0.13 -1.94 -2.39 132.00 126.91 1jee h PRO 378 Ca -0.50 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.82 1jee h PRO 378 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1jee h PRO 378 CO 0.58 0.03 0.47 0.93 -0.23 0.00 0.00 178.00 179.78 1jee h GLU 379 N -0.05 0.00 0.05 0.86 3.07 -1.99 0.79 114.58 117.31 1jee h GLU 379 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jee h GLU 379 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1jee h GLU 379 CO 0.00 0.00 -0.02 0.28 -1.40 0.00 0.00 179.01 177.87 1jee h VAL 380 N 0.00 1.30 -0.88 3.13 2.07 -1.86 -2.76 116.25 117.25 1jee h VAL 380 Ca 0.30 -1.57 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1jee h VAL 380 Cb 1.23 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 1jee h VAL 380 CO -0.00 0.37 0.57 0.58 0.02 0.00 0.00 177.57 179.11 1jee h VAL 381 N -0.82 1.00 -0.15 2.57 2.07 -0.78 -0.87 116.25 119.27 1jee h VAL 381 Ca -0.01 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1jee h VAL 381 Cb 0.66 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1jee h VAL 381 CO 0.01 0.17 -0.02 0.50 0.02 0.00 0.00 177.57 178.25 1jee h LYS 382 N 0.92 0.03 -0.58 1.57 3.64 -0.93 0.15 116.57 121.37 1jee h LYS 382 Ca 0.40 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1jee h LYS 382 Cb 0.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1jee h LYS 382 CO -0.16 0.02 0.37 0.82 -2.27 0.00 0.00 179.45 178.23 1jee h ILE 383 N 0.03 1.15 -0.04 2.00 2.04 -0.90 -1.67 117.51 120.12 1jee h ILE 383 Ca 0.07 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1jee h ILE 383 Cb 0.10 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1jee h ILE 383 CO -0.13 0.15 -0.07 -0.07 0.00 0.00 0.00 178.15 178.03 1jee h LEU 384 N 0.79 0.13 -0.93 1.44 3.38 -0.36 -2.72 115.31 117.05 1jee h LEU 384 Ca 0.21 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1jee h LEU 384 Cb -0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1jee h LEU 384 CO -0.04 0.65 0.58 0.03 0.09 0.00 0.00 178.44 179.75 1jee h ARG 385 N -0.38 1.01 -0.09 1.13 3.08 -0.54 0.29 114.38 118.87 1jee h ARG 385 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1jee h ARG 385 Cb 0.62 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1jee h ARG 385 CO 0.02 0.67 -0.08 1.49 -1.07 0.00 0.00 179.97 180.99 1jee h GLU 386 N 1.04 0.13 0.00 0.04 4.81 -1.29 -0.96 114.58 118.35 1jee h GLU 386 Ca 0.41 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.49 1jee h GLU 386 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1jee h GLU 386 CO -0.19 0.22 -1.64 0.43 -0.73 0.00 0.00 179.01 177.10 1jee n SER 387 N -4.37 0.50 -3.51 1.04 7.64 -0.42 -4.52 113.62 109.98 1jee n SER 387 Ca -0.01 0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.81 1jee n SER 387 Cb 0.20 0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 1jee n SER 387 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jee n ASN 388 N -2.67 0.88 -4.71 6.43 4.13 0.89 -5.10 115.26 115.11 1jee n ASN 388 Ca -0.10 -2.73 -0.33 0.00 1.68 0.00 0.00 54.58 53.10 1jee n ASN 388 Cb 0.77 -0.63 0.12 0.00 -1.54 0.00 0.00 39.78 38.50 1jee n ASN 388 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1jee s PRO 389 N -0.72 1.76 0.86 3.52 0.04 -0.39 -4.45 135.00 135.62 1jee s PRO 389 Ca 0.32 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1jee s PRO 389 Cb 0.04 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.89 1jee s PRO 389 CO -0.17 -2.10 1.09 -1.25 0.04 0.00 0.00 177.00 174.62 1jee s PRO 390 N -4.22 1.59 0.23 0.56 0.04 -1.19 -4.65 135.00 127.36 1jee s PRO 390 Ca 0.71 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1jee s PRO 390 Cb -0.26 -1.85 0.33 0.00 0.04 0.00 0.00 34.50 32.75 1jee s PRO 390 CO 0.50 -1.99 1.61 0.00 0.04 0.00 0.00 177.00 177.16 1jee h ARG 391 N -1.37 0.02 0.00 4.56 2.47 -1.56 -0.42 114.38 118.08 1jee h ARG 391 Ca -0.48 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1jee h ARG 391 Cb 1.28 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1jee h ARG 391 CO 0.56 0.01 0.11 -0.35 0.56 0.00 0.00 179.97 180.87 1jee n PRO 392 N -5.46 0.00 0.00 0.04 -0.04 -0.74 0.16 135.00 128.96 1jee n PRO 392 Ca 0.11 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1jee n PRO 392 Cb 0.40 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1jee n PRO 392 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jee n LYS 393 N -1.24 0.61 -2.87 0.54 5.02 -0.19 -4.87 118.16 115.16 1jee n LYS 393 Ca 0.00 -0.86 -0.28 0.00 -2.02 0.00 0.00 58.31 55.14 1jee n LYS 393 Cb 0.11 -0.96 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 1jee n LYS 393 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jee s GLN 394 N -0.38 3.64 0.66 1.97 -0.21 0.12 -4.67 119.66 120.78 1jee s GLN 394 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.62 1jee s GLN 394 Cb 0.00 -2.44 0.10 0.00 1.00 0.00 0.00 33.01 31.67 1jee s GLN 394 CO 0.00 -0.06 0.91 0.20 -2.12 0.00 0.00 175.29 174.22 1jee s GLY 395 N -3.62 1.78 0.04 3.09 0.00 -1.19 -4.75 107.32 102.67 1jee s GLY 395 Ca 0.48 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 1jee s GLY 395 CO 0.37 -1.17 1.18 -0.11 0.00 0.00 0.00 173.10 173.38 1jee s PHE 396 N -2.99 -0.06 0.01 1.90 -0.12 -0.56 -4.87 117.98 111.30 1jee s PHE 396 Ca 0.63 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.40 1jee s PHE 396 Cb -0.07 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1jee s PHE 396 CO 0.42 -0.46 -0.04 -1.12 -0.05 0.00 0.00 175.22 173.96 1jee s SER 397 N -3.04 0.47 -0.19 1.98 0.01 -0.01 0.07 113.70 112.99 1jee s SER 397 Ca 0.15 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1jee s SER 397 Cb 0.02 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1jee s SER 397 CO -0.01 -0.08 -0.18 -0.63 0.41 0.00 0.00 173.24 172.75 1jee s ILE 398 N -0.64 2.21 -0.26 1.44 -1.09 0.14 -0.47 121.20 122.53 1jee s ILE 398 Ca -0.05 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.37 1jee s ILE 398 Cb -0.05 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 1jee s ILE 398 CO -0.00 0.51 0.13 -0.69 -1.23 0.00 0.00 174.94 173.66 1jee s VAL 399 N 1.30 4.88 -0.48 2.92 1.01 0.45 -0.64 120.40 129.85 1jee s VAL 399 Ca 0.05 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 1jee s VAL 399 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1jee s VAL 399 CO -0.12 0.31 1.68 -0.76 0.00 0.00 0.00 175.10 176.21 1jee s LEU 400 N 1.53 3.43 0.97 3.92 1.43 0.87 -1.25 118.68 129.59 1jee s LEU 400 Ca 0.06 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 1jee s LEU 400 Cb -0.15 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1jee s LEU 400 CO 0.07 -1.88 -0.04 0.61 0.23 0.00 0.00 176.35 175.34 1jee n GLY 401 N 5.42 -2.92 0.29 -3.19 0.00 0.14 -4.04 105.19 100.89 1jee n GLY 401 Ca 0.19 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1jee n GLY 401 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jee h ASN 402 N -1.39 0.97 0.10 1.61 2.35 -1.92 -2.74 115.58 114.56 1jee h ASN 402 Ca -0.44 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1jee h ASN 402 Cb 1.29 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1jee h ASN 402 CO 0.30 1.03 0.00 -1.54 -1.65 0.00 0.00 177.43 175.57 1jee n SER 403 N -4.25 0.60 -4.66 5.81 3.41 -1.26 -4.77 113.62 108.49 1jee n SER 403 Ca 0.02 0.76 -0.48 0.00 -0.26 0.00 0.00 58.87 58.91 1jee n SER 403 Cb 0.32 -0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 1jee n SER 403 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jee n LEU 404 N -2.28 2.95 -0.01 1.04 7.99 -1.04 -4.68 117.00 120.98 1jee n LEU 404 Ca -0.01 1.06 0.09 0.00 -0.01 0.00 0.00 56.01 57.14 1jee n LEU 404 Cb 0.06 -1.36 -0.14 0.00 -0.11 0.00 0.00 43.42 41.87 1jee n LEU 404 CO 0.11 -0.34 -0.70 0.41 -1.51 0.00 0.00 177.39 175.37 1jee n THR 405 N 3.83 0.00 -1.47 -5.08 -1.04 0.43 -5.01 114.28 105.95 1jee n THR 405 Ca 0.19 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1jee n THR 405 Cb 0.27 0.11 0.14 0.00 -1.82 0.00 0.00 70.33 69.03 1jee n THR 405 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1jee s VAL 406 N -3.23 2.10 -0.13 12.58 -7.23 -1.22 -4.91 120.40 118.37 1jee s VAL 406 Ca -0.06 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.85 1jee s VAL 406 Cb 0.11 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1jee s VAL 406 CO 0.74 -0.04 1.88 -0.55 -0.31 0.00 0.00 175.10 176.82 1jee s SER 407 N -3.91 6.20 0.27 4.85 0.15 -1.26 -4.84 113.70 115.15 1jee s SER 407 Ca 0.64 2.07 -0.01 0.00 0.70 0.00 0.00 55.95 59.35 1jee s SER 407 Cb -0.15 -2.53 0.37 0.00 -1.71 0.00 0.00 66.02 62.00 1jee s SER 407 CO 0.54 -1.34 1.75 0.03 1.20 0.00 0.00 173.24 175.42 1jee h ARG 408 N 11.66 0.70 -0.28 5.44 3.08 -1.92 -0.84 114.38 132.21 1jee h ARG 408 Ca -0.41 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1jee h ARG 408 Cb 1.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1jee h ARG 408 CO 0.97 0.76 0.18 0.93 -1.07 0.00 0.00 179.97 181.74 1jee h GLU 409 N 0.64 0.38 -0.11 0.04 3.07 -1.95 -0.56 114.58 116.09 1jee h GLU 409 Ca 0.12 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 1jee h GLU 409 Cb 0.50 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1jee h GLU 409 CO 0.03 0.27 -0.60 1.96 -1.40 0.00 0.00 179.01 179.27 1jee h GLN 410 N 0.37 0.37 -0.12 2.33 1.08 -1.91 -2.37 115.11 114.86 1jee h GLN 410 Ca 0.10 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 56.92 1jee h GLN 410 Cb -0.01 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1jee h GLN 410 CO -0.02 0.86 -0.48 1.25 -0.95 0.00 0.00 178.83 179.49 1jee h LEU 411 N 0.28 0.33 0.29 1.46 5.85 -0.96 -1.37 115.31 121.19 1jee h LEU 411 Ca -0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jee h LEU 411 Cb 1.12 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1jee h LEU 411 CO 0.10 0.76 -0.14 0.28 -0.34 0.00 0.00 178.44 179.10 1jee h SER 412 N 0.24 -0.33 -0.49 1.25 0.02 -0.97 -2.10 113.55 111.17 1jee h SER 412 Ca 0.01 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1jee h SER 412 Cb 0.94 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 1jee h SER 412 CO 0.08 -0.05 0.17 0.40 -1.14 0.00 0.00 176.83 176.29 1jee h ILE 413 N -0.61 0.83 -0.48 3.27 2.04 -1.32 -0.73 117.51 120.50 1jee h ILE 413 Ca -0.04 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1jee h ILE 413 Cb 0.44 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1jee h ILE 413 CO 0.07 0.06 0.14 0.00 0.00 0.00 0.00 178.15 178.41 1jee h ALA 414 N 1.33 0.56 -0.62 1.87 0.00 -1.19 0.60 119.26 121.81 1jee h ALA 414 Ca 0.24 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1jee h ALA 414 Cb 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jee h ALA 414 CO -0.25 -0.26 0.13 -0.07 0.00 0.00 0.00 179.25 178.80 1jee h LEU 415 N 0.29 0.96 0.61 0.00 3.38 -0.72 -0.29 115.31 119.54 1jee h LEU 415 Ca 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1jee h LEU 415 Cb 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1jee h LEU 415 CO -0.27 0.96 -0.32 0.25 0.09 0.00 0.00 178.44 179.16 1jee h LEU 416 N 0.92 -0.76 -1.28 1.67 5.85 -0.24 0.11 115.31 121.58 1jee h LEU 416 Ca 0.19 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1jee h LEU 416 Cb 0.39 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1jee h LEU 416 CO 0.01 -0.52 0.51 0.28 -0.34 0.00 0.00 178.44 178.38 1jee h SER 417 N -0.85 0.78 -0.08 1.25 0.02 -0.88 0.46 113.55 114.25 1jee h SER 417 Ca -0.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1jee h SER 417 Cb 0.67 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jee h SER 417 CO 0.12 0.52 -0.00 0.74 -1.14 0.00 0.00 176.83 177.06 1jee h THR 418 N 0.89 1.26 -0.33 -2.27 2.02 -0.60 -2.85 112.91 111.03 1jee h THR 418 Ca 0.33 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1jee h THR 418 Cb 0.16 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1jee h THR 418 CO -0.11 0.23 -0.03 -0.26 0.37 0.00 0.00 175.52 175.72 1jee h PHE 419 N -0.15 0.55 -0.33 3.16 0.04 -0.38 -2.79 116.94 117.04 1jee h PHE 419 Ca 0.02 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1jee h PHE 419 Cb 0.36 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1jee h PHE 419 CO 0.04 0.57 0.22 -0.07 -0.60 0.00 0.00 178.31 178.47 1jee h LEU 420 N 0.50 0.33 -0.15 1.54 3.38 -0.72 -2.28 115.31 117.91 1jee h LEU 420 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jee h LEU 420 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jee h LEU 420 CO 0.02 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1jee n GLN 421 N -4.49 0.11 0.09 1.13 10.64 -1.05 -3.40 117.38 120.42 1jee n GLN 421 Ca 0.03 0.20 -0.16 0.00 -1.83 0.00 0.00 57.00 55.24 1jee n GLN 421 Cb 0.12 -1.66 -0.11 0.00 -0.86 0.00 0.00 30.24 27.73 1jee n GLN 421 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1jee h PHE 422 N 0.00 0.60 -3.40 2.61 0.05 -1.51 -3.50 116.94 111.79 1jee h PHE 422 Ca 0.00 -0.39 0.36 0.00 3.82 0.00 0.00 57.97 61.75 1jee h PHE 422 Cb 0.48 -0.04 -0.16 0.00 2.00 0.00 0.00 35.95 38.23 1jee h PHE 422 CO 0.00 1.27 -1.05 0.41 -0.18 0.00 0.00 178.31 178.75 1jee n GLY 423 N 1.32 -2.96 0.00 -1.45 0.00 -1.22 -5.01 105.19 95.87 1jee n GLY 423 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1jee n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jee n GLY 424 N -4.31 0.52 3.33 -0.02 0.00 -1.26 -4.84 105.19 98.60 1jee n GLY 424 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jee n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jee n GLY 425 N 0.00 1.36 3.75 -0.02 0.00 -1.26 -5.00 105.19 104.01 1jee n GLY 425 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jee n GLY 425 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jee s ARG 426 N -0.14 4.83 -0.12 1.61 3.52 -1.26 -5.04 118.95 122.34 1jee s ARG 426 Ca 0.00 1.50 -0.13 0.00 -0.13 0.00 0.00 55.73 56.97 1jee s ARG 426 Cb 0.00 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1jee s ARG 426 CO 0.00 0.46 0.29 -0.47 -0.81 0.00 0.00 175.30 174.77 1jee s TYR 427 N -1.00 3.54 0.19 5.12 6.14 -1.26 -4.95 117.35 125.12 1jee s TYR 427 Ca 0.42 0.67 0.10 0.00 0.64 0.00 0.00 57.07 58.89 1jee s TYR 427 Cb -0.26 -2.27 -0.04 0.00 0.42 0.00 0.00 41.96 39.81 1jee s TYR 427 CO 0.32 0.40 -0.14 0.71 0.64 0.00 0.00 175.55 177.48 1jee s TYR 428 N -0.07 2.53 -0.28 4.97 1.51 -1.26 -0.42 117.35 124.34 1jee s TYR 428 Ca 0.18 -0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 55.76 1jee s TYR 428 Cb -0.14 -1.24 0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1jee s TYR 428 CO 0.06 0.51 0.80 0.21 -1.11 0.00 0.00 175.55 176.02 1jee s LYS 429 N -2.80 0.68 -0.14 -0.62 2.20 -0.78 -4.95 119.74 113.33 1jee s LYS 429 Ca 0.24 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.52 1jee s LYS 429 Cb -0.08 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1jee s LYS 429 CO 0.14 -0.11 0.95 0.42 -0.36 0.00 0.00 175.35 176.39 1jee s ILE 430 N 0.86 4.81 -0.28 5.43 -1.09 -1.26 -0.70 121.20 128.96 1jee s ILE 430 Ca -0.04 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.31 1jee s ILE 430 Cb -0.05 -4.26 0.06 0.00 -1.58 0.00 0.00 42.46 36.64 1jee s ILE 430 CO -0.09 -0.00 -0.05 0.12 -1.23 0.00 0.00 174.94 173.69 1jee s PHE 431 N 2.16 3.34 -0.32 3.97 5.36 0.52 -4.90 117.98 128.11 1jee s PHE 431 Ca 0.45 -2.29 -0.17 0.00 -0.96 0.00 0.00 56.93 53.96 1jee s PHE 431 Cb -0.17 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1jee s PHE 431 CO 0.15 -0.87 0.44 -1.21 -1.46 0.00 0.00 175.22 172.27 1jee s GLU 432 N 1.12 3.77 0.02 10.12 2.02 -1.26 -4.42 118.70 130.06 1jee s GLU 432 Ca -0.05 -0.11 0.16 0.00 0.02 0.00 0.00 54.97 54.99 1jee s GLU 432 Cb -0.20 -3.75 -0.17 0.00 0.10 0.00 0.00 34.13 30.11 1jee s GLU 432 CO -0.04 -0.49 0.73 -2.39 0.02 0.00 0.00 175.26 173.09 1jee n HIS 433 N 5.53 0.93 -3.96 1.61 1.44 -1.26 -4.98 115.22 114.53 1jee n HIS 433 Ca -0.07 0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 55.65 1jee n HIS 433 Cb 0.50 -1.10 0.02 0.00 0.12 0.00 0.00 29.99 29.52 1jee n HIS 433 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1jee n ASN 434 N -2.91 -4.53 -0.65 4.39 5.03 -1.26 -1.30 115.26 114.02 1jee n ASN 434 Ca -0.13 -0.81 -0.04 0.00 0.87 0.00 0.00 54.58 54.47 1jee n ASN 434 Cb 0.91 -3.73 -0.02 0.00 -1.02 0.00 0.00 39.78 35.93 1jee n ASN 434 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1jee n ASN 435 N -2.81 -2.10 -4.62 6.41 4.13 -1.26 -4.88 115.26 110.13 1jee n ASN 435 Ca 0.04 0.10 -0.42 0.00 1.68 0.00 0.00 54.58 55.98 1jee n ASN 435 Cb 0.52 -1.86 -0.05 0.00 -1.54 0.00 0.00 39.78 36.85 1jee n ASN 435 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1jee s LYS 436 N -1.76 3.99 0.58 3.52 1.02 -0.42 -4.92 119.74 121.76 1jee s LYS 436 Ca 0.00 0.61 0.27 0.00 0.02 0.00 0.00 55.97 56.87 1jee s LYS 436 Cb 0.00 -3.72 1.63 0.00 -0.52 0.00 0.00 37.83 35.23 1jee s LYS 436 CO 0.00 -0.65 2.13 1.79 -0.92 0.00 0.00 175.35 177.70 1jee h THR 437 N 5.57 0.56 0.00 2.17 1.35 -1.89 0.34 112.91 121.01 1jee h THR 437 Ca -0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1jee h THR 437 Cb 1.10 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1jee h THR 437 CO 0.88 0.00 -0.01 1.05 -0.25 0.00 0.00 175.52 177.19 1jee h GLU 438 N 0.00 0.00 0.03 4.72 4.11 -1.94 0.19 114.58 121.69 1jee h GLU 438 Ca 0.07 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.13 1jee h GLU 438 Cb 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1jee h GLU 438 CO -0.00 0.01 -2.11 1.28 0.07 0.00 0.00 179.01 178.25 1jee n LEU 439 N -3.11 2.34 -0.26 3.06 4.77 0.10 -4.32 117.00 119.59 1jee n LEU 439 Ca -0.01 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1jee n LEU 439 Cb 0.23 -0.94 0.18 0.00 -2.33 0.00 0.00 43.42 40.55 1jee n LEU 439 CO 0.25 0.66 1.05 -0.07 -1.33 0.00 0.00 177.39 177.95 1jee h LEU 440 N -0.51 0.40 -0.55 2.23 3.38 -0.92 0.11 115.31 119.46 1jee h LEU 440 Ca -0.53 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1jee h LEU 440 Cb 1.71 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1jee h LEU 440 CO -0.18 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1jee n SER 441 N -4.92 0.28 0.08 -0.43 3.41 0.03 -1.43 113.62 110.64 1jee n SER 441 Ca 0.14 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1jee n SER 441 Cb 0.37 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 1jee n SER 441 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jee n LEU 442 N -1.86 0.76 -0.19 1.04 4.77 0.40 -4.40 117.00 117.51 1jee n LEU 442 Ca 0.01 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1jee n LEU 442 Cb 0.08 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1jee n LEU 442 CO 0.09 -0.11 0.81 0.40 -1.33 0.00 0.00 177.39 177.25 1jee h ILE 443 N 0.00 0.50 0.00 -0.08 2.04 -1.24 0.69 117.51 119.42 1jee h ILE 443 Ca 0.00 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1jee h ILE 443 Cb 0.88 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1jee h ILE 443 CO 0.00 0.02 -0.01 1.56 0.00 0.00 0.00 178.15 179.71 1jee h GLN 444 N 0.08 0.00 -0.27 2.37 1.08 -1.78 -2.52 115.11 114.08 1jee h GLN 444 Ca 0.29 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 1jee h GLN 444 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1jee h GLN 444 CO -0.52 0.01 0.01 -0.44 -0.95 0.00 0.00 178.83 176.94 1jee h ASP 445 N 0.00 0.46 -0.07 1.46 3.45 -1.10 0.11 116.42 120.73 1jee h ASP 445 Ca -0.00 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 1jee h ASP 445 Cb 0.60 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1jee h ASP 445 CO 0.00 0.65 0.02 -0.26 -1.57 0.00 0.00 179.24 178.08 1jee h PHE 446 N 0.26 0.12 -0.74 4.55 -1.00 -1.29 -0.22 116.94 118.62 1jee h PHE 446 Ca 0.08 -0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.94 1jee h PHE 446 Cb 0.41 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.86 1jee h PHE 446 CO 0.03 0.31 0.38 0.82 -1.61 0.00 0.00 178.31 178.25 1jee h ILE 447 N -0.10 0.86 -0.38 -0.55 2.04 -1.41 0.23 117.51 118.21 1jee h ILE 447 Ca 0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jee h ILE 447 Cb 0.25 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1jee h ILE 447 CO 0.00 0.12 0.22 1.23 0.00 0.00 0.00 178.15 179.72 1jee h GLY 448 N 0.65 0.54 1.06 5.37 0.00 -0.45 -0.08 103.07 110.15 1jee h GLY 448 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1jee h GLY 448 CO -0.26 0.21 -0.00 1.44 0.00 0.00 0.00 176.54 177.92 1jee n SER 449 N -4.45 0.07 0.00 0.19 7.64 0.70 -4.89 113.62 112.87 1jee n SER 449 Ca 0.03 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1jee n SER 449 Cb 0.08 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1jee n SER 449 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jee n GLY 450 N 1.07 0.74 3.84 0.23 0.00 -0.05 -4.96 105.19 106.06 1jee n GLY 450 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1jee n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jee s SER 451 N -2.88 5.69 -0.16 1.61 0.01 -0.72 -3.65 113.70 113.61 1jee s SER 451 Ca 0.00 1.55 -0.03 0.00 1.31 0.00 0.00 55.95 58.78 1jee s SER 451 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1jee s SER 451 CO 0.00 -1.23 -0.05 -0.83 0.41 0.00 0.00 173.24 171.54 1jee s GLY 452 N -3.92 1.68 -0.08 3.44 0.00 0.44 -1.49 107.32 107.39 1jee s GLY 452 Ca 0.57 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.44 1jee s GLY 452 CO 0.54 -0.02 -0.15 1.08 0.00 0.00 0.00 173.10 174.56 1jee s LEU 453 N 0.52 2.67 -0.33 0.66 1.43 0.11 -1.87 118.68 121.87 1jee s LEU 453 Ca -0.04 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 1jee s LEU 453 Cb -0.15 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.55 1jee s LEU 453 CO 0.03 0.27 0.10 -0.63 0.23 0.00 0.00 176.35 176.35 1jee s ILE 454 N -0.31 3.80 -0.40 -0.59 1.01 0.13 -0.68 121.20 124.15 1jee s ILE 454 Ca 0.02 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 1jee s ILE 454 Cb -0.13 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.28 1jee s ILE 454 CO 0.03 -0.14 0.23 -0.63 0.00 0.00 0.00 174.94 174.42 1jee s ILE 455 N 1.41 4.23 0.59 2.92 1.01 0.19 -0.36 121.20 131.20 1jee s ILE 455 Ca -0.01 -1.28 0.40 0.00 0.00 0.00 0.00 60.65 59.76 1jee s ILE 455 Cb -0.19 -3.53 0.40 0.00 0.01 0.00 0.00 42.46 39.15 1jee s ILE 455 CO 0.03 -0.42 2.21 1.55 0.00 0.00 0.00 174.94 178.31 1jee h PRO 456 N 8.39 0.00 -3.58 2.79 0.13 -1.84 0.25 132.00 138.13 1jee h PRO 456 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1jee h PRO 456 Cb 1.09 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 1jee h PRO 456 CO 0.72 0.00 -0.42 -0.80 -0.23 0.00 0.00 178.00 177.27 1jee s ASN 457 N -4.89 0.05 0.80 1.44 -0.87 -1.26 -4.46 114.94 105.75 1jee s ASN 457 Ca -0.04 -0.37 -0.12 0.00 -1.57 0.00 0.00 52.86 50.76 1jee s ASN 457 Cb 0.11 0.27 0.07 0.00 -0.02 0.00 0.00 41.25 41.69 1jee s ASN 457 CO 0.36 -0.53 1.12 -1.10 -2.57 0.00 0.00 177.10 174.38 1jee s GLN 458 N -2.42 2.04 0.04 -0.60 -0.21 -1.26 -4.78 119.66 112.47 1jee s GLN 458 Ca -0.06 0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.76 1jee s GLN 458 Cb -0.02 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1jee s GLN 458 CO -0.03 -1.60 0.04 1.67 -2.12 0.00 0.00 175.29 173.24 1jee s TRP 459 N -3.31 3.13 0.36 0.91 -2.14 -1.26 -4.89 118.94 111.74 1jee s TRP 459 Ca 0.61 0.08 -0.27 0.00 2.66 0.00 0.00 56.10 59.18 1jee s TRP 459 Cb -0.13 -1.64 -0.12 0.00 -3.10 0.00 0.00 33.47 28.48 1jee s TRP 459 CO 0.52 0.50 1.17 0.39 -2.66 0.00 0.00 176.95 176.87 1jee n GLU 460 N 0.91 1.77 0.02 3.25 -0.58 -1.26 -4.73 120.64 120.02 1jee n GLU 460 Ca -0.12 0.62 0.22 0.00 -0.42 0.00 0.00 57.16 57.47 1jee n GLU 460 Cb 0.52 -2.17 0.70 0.00 -0.57 0.00 0.00 31.44 29.92 1jee n GLU 460 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1jee h ASP 461 N 2.14 0.00 1.01 1.62 3.45 -2.01 0.25 116.42 122.87 1jee h ASP 461 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1jee h ASP 461 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 1jee h ASP 461 CO 0.60 0.00 0.00 -2.24 -1.57 0.00 0.00 179.24 176.03 1jee h ASP 462 N 0.00 0.00 0.15 6.45 3.04 -2.04 -3.03 116.42 120.99 1jee h ASP 462 Ca 0.26 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.04 1jee h ASP 462 Cb 1.42 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.70 1jee h ASP 462 CO -0.00 0.00 -1.87 0.29 -2.04 0.00 0.00 179.24 175.62 1jee n LYS 463 N -2.62 0.65 -0.57 4.15 4.76 0.85 -4.52 118.16 120.87 1jee n LYS 463 Ca 0.02 -0.14 0.45 0.00 -2.87 0.00 0.00 58.31 55.76 1jee n LYS 463 Cb 0.30 -1.57 0.69 0.00 -1.84 0.00 0.00 35.03 32.61 1jee n LYS 463 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jee n ASP 464 N -2.34 0.00 0.24 4.39 2.03 -1.14 0.14 116.55 119.87 1jee n ASP 464 Ca -0.04 0.88 0.14 0.00 0.52 0.00 0.00 54.79 56.28 1jee n ASP 464 Cb 0.59 -0.42 0.43 0.00 -0.72 0.00 0.00 41.12 41.00 1jee n ASP 464 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1jee h SER 465 N 0.00 0.00 1.22 1.67 4.64 -1.81 -3.05 113.55 116.23 1jee h SER 465 Ca 0.79 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.11 1jee h SER 465 Cb 3.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.45 1jee h SER 465 CO -0.01 0.04 0.00 0.58 -0.87 0.00 0.00 176.83 176.57 1jee h VAL 466 N 0.00 0.00 -3.31 0.95 2.07 0.85 -3.44 116.25 113.37 1jee h VAL 466 Ca -0.00 -0.48 -0.64 0.00 0.82 0.00 0.00 66.70 66.40 1jee h VAL 466 Cb 0.77 1.39 -0.21 0.00 -1.52 0.00 0.00 31.29 31.72 1jee h VAL 466 CO 0.01 0.00 -0.67 -0.69 0.02 0.00 0.00 177.57 176.24 1jee s VAL 467 N -3.30 3.87 -0.14 2.57 1.01 -1.15 -4.32 120.40 118.94 1jee s VAL 467 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1jee s VAL 467 Cb 0.09 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1jee s VAL 467 CO 0.53 0.50 1.27 -0.83 0.00 0.00 0.00 175.10 176.57 1jee s GLY 468 N 0.30 1.72 0.63 4.51 0.00 -1.26 -4.90 107.32 108.32 1jee s GLY 468 Ca -0.04 0.51 0.28 0.00 0.00 0.00 0.00 44.72 45.48 1jee s GLY 468 CO 0.03 2.47 1.86 0.07 0.00 0.00 0.00 173.10 177.53 1jee h LYS 469 N 8.13 0.00 -6.14 2.90 -0.00 -1.96 -3.44 116.57 116.05 1jee h LYS 469 Ca -0.28 0.00 -0.67 0.00 -0.00 0.00 0.00 60.65 59.69 1jee h LYS 469 Cb 1.12 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.35 1jee h LYS 469 CO 0.95 0.00 1.13 0.94 -0.00 0.00 0.00 179.45 182.48 1jee n GLN 470 N -2.80 1.53 -2.50 0.07 -0.06 -1.26 -2.36 117.38 110.00 1jee n GLN 470 Ca -0.02 0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 55.31 1jee n GLN 470 Cb 0.37 -2.43 -0.00 0.00 -4.06 0.00 0.00 30.24 24.12 1jee n GLN 470 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1jee n ASN 471 N 7.23 -5.57 -4.24 1.69 5.03 -1.26 -4.87 115.26 113.27 1jee n ASN 471 Ca 0.29 -0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.36 1jee n ASN 471 Cb 0.22 -4.63 -0.13 0.00 -1.02 0.00 0.00 39.78 34.22 1jee n ASN 471 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jee s VAL 472 N -2.99 3.35 -0.03 2.41 1.01 -0.99 -0.83 120.40 122.33 1jee s VAL 472 Ca 0.05 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1jee s VAL 472 Cb -0.02 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1jee s VAL 472 CO 0.06 -0.02 0.02 -0.31 0.00 0.00 0.00 175.10 174.84 1jee s TYR 473 N 1.35 3.16 -0.24 5.22 1.51 0.38 -4.96 117.35 123.77 1jee s TYR 473 Ca -0.02 0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 56.10 1jee s TYR 473 Cb -0.19 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1jee s TYR 473 CO -0.00 0.49 0.13 -1.17 -1.11 0.00 0.00 175.55 173.89 1jee s LEU 474 N -1.38 3.87 -0.34 -1.29 1.98 -1.26 -0.41 118.68 119.85 1jee s LEU 474 Ca 0.18 -0.01 -0.12 0.00 -2.89 0.00 0.00 54.13 51.29 1jee s LEU 474 Cb -0.12 -2.04 -0.01 0.00 0.66 0.00 0.00 46.19 44.68 1jee s LEU 474 CO 0.08 0.03 0.23 -0.22 -1.89 0.00 0.00 176.35 174.58 1jee s LEU 475 N 1.28 4.50 0.12 -0.68 2.96 -0.38 -0.89 118.68 125.59 1jee s LEU 475 Ca 0.06 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.24 1jee s LEU 475 Cb -0.14 -2.12 0.08 0.00 0.50 0.00 0.00 46.19 44.50 1jee s LEU 475 CO 0.05 -0.24 1.04 -0.62 -1.32 0.00 0.00 176.35 175.26 1jee s ASP 476 N 1.70 -0.14 0.37 3.68 2.15 -0.76 0.26 116.67 123.93 1jee s ASP 476 Ca 0.06 -0.36 0.23 0.00 0.43 0.00 0.00 52.55 52.91 1jee s ASP 476 Cb -0.17 0.42 0.24 0.00 -0.30 0.00 0.00 42.92 43.10 1jee s ASP 476 CO 0.10 -0.77 1.44 0.71 -0.17 0.00 0.00 175.17 176.48 1jee h THR 477 N 2.00 0.02 -3.81 1.71 1.35 -1.86 0.22 112.91 112.55 1jee h THR 477 Ca -0.26 -1.03 -0.53 0.00 -0.55 0.00 0.00 66.41 64.04 1jee h THR 477 Cb 1.22 1.87 0.20 0.00 -1.73 0.00 0.00 68.15 69.71 1jee h THR 477 CO 0.26 0.01 -0.13 -0.24 -0.25 0.00 0.00 175.52 175.17 1jee n SER 478 N -2.98 -0.64 0.21 5.36 2.88 -1.26 -4.66 113.62 112.52 1jee n SER 478 Ca 0.03 0.43 0.10 0.00 -1.33 0.00 0.00 58.87 58.10 1jee n SER 478 Cb 0.54 -1.35 0.25 0.00 -0.75 0.00 0.00 64.21 62.90 1jee n SER 478 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1jee h SER 479 N -1.42 0.00 -0.33 -3.46 4.64 -1.99 -2.90 113.55 108.09 1jee h SER 479 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jee h SER 479 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1jee h SER 479 CO 0.39 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 174.97 1jee n SER 480 N -3.17 2.14 -4.77 4.97 3.41 -1.26 -4.86 113.62 110.09 1jee n SER 480 Ca 0.02 -2.09 -0.40 0.00 -0.26 0.00 0.00 58.87 56.14 1jee n SER 480 Cb 0.54 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1jee n SER 480 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jee s ALA 481 N -1.60 3.42 0.26 7.33 0.00 -1.10 -4.94 121.76 125.14 1jee s ALA 481 Ca 0.24 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1jee s ALA 481 Cb 0.14 -2.98 0.35 0.00 0.00 0.00 0.00 23.12 20.62 1jee s ALA 481 CO 0.14 0.23 1.64 -0.44 0.00 0.00 0.00 175.76 177.34 1jee h ASP 482 N 4.64 0.35 -3.60 0.00 3.32 -1.34 -3.36 116.42 116.43 1jee h ASP 482 Ca -0.46 -0.16 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 1jee h ASP 482 Cb 1.21 -0.10 -0.40 0.00 0.22 0.00 0.00 39.33 40.26 1jee h ASP 482 CO 0.67 0.75 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.58 1jee s ILE 483 N -4.10 1.94 -0.10 0.35 1.01 -0.40 -4.96 121.20 114.94 1jee s ILE 483 Ca -0.05 -2.01 -0.26 0.00 0.00 0.00 0.00 60.65 58.33 1jee s ILE 483 Cb 0.13 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1jee s ILE 483 CO 0.79 -0.52 0.84 -1.58 0.00 0.00 0.00 174.94 174.47 1jee s GLN 484 N 1.10 4.41 0.21 2.79 0.74 -1.26 -1.83 119.66 125.82 1jee s GLN 484 Ca 0.08 1.10 -0.11 0.00 0.05 0.00 0.00 55.36 56.47 1jee s GLN 484 Cb -0.19 -3.51 -0.07 0.00 1.10 0.00 0.00 33.01 30.34 1jee s GLN 484 CO -0.11 -0.15 0.56 -0.51 -0.55 0.00 0.00 175.29 174.54 1jee s LEU 485 N 1.48 4.21 0.05 3.68 1.43 0.79 -4.94 118.68 125.38 1jee s LEU 485 Ca 0.42 0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 1jee s LEU 485 Cb -0.18 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.28 1jee s LEU 485 CO 0.18 -0.03 1.53 -0.08 0.23 0.00 0.00 176.35 178.17 1jee h GLU 486 N 2.81 -0.20 -3.95 1.70 4.57 -1.93 -3.40 114.58 114.18 1jee h GLU 486 Ca -0.47 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.62 1jee h GLU 486 Cb 1.18 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.67 1jee h GLU 486 CO 0.68 0.01 -0.48 -1.54 -1.18 0.00 0.00 179.01 176.50 1jee s SER 487 N -5.17 0.25 0.45 1.04 1.04 -1.26 -5.04 113.70 105.01 1jee s SER 487 Ca -0.14 -0.77 0.31 0.00 0.48 0.00 0.00 55.95 55.83 1jee s SER 487 Cb 0.04 0.29 1.41 0.00 0.10 0.00 0.00 66.02 67.86 1jee s SER 487 CO 0.63 -0.68 1.92 0.00 0.98 0.00 0.00 173.24 176.10 1jee h ALA 488 N 2.92 1.00 -0.29 5.32 0.00 -1.89 -2.80 119.26 123.51 1jee h ALA 488 Ca -0.34 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1jee h ALA 488 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1jee h ALA 488 CO 0.59 0.00 -0.10 -0.40 0.00 0.00 0.00 179.25 179.34 1jee n ASP 489 N -2.71 2.59 -4.73 0.00 5.75 -1.26 -0.42 116.55 115.76 1jee n ASP 489 Ca 0.00 -3.65 -0.42 0.00 -0.01 0.00 0.00 54.79 50.70 1jee n ASP 489 Cb 0.20 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 39.68 1jee n ASP 489 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1jee n GLU 490 N -1.06 2.46 -1.84 0.11 2.13 -1.06 -4.89 120.64 116.49 1jee n GLU 490 Ca 0.30 0.87 -0.40 0.00 0.66 0.00 0.00 57.16 58.59 1jee n GLU 490 Cb 0.97 -2.57 0.01 0.00 0.27 0.00 0.00 31.44 30.12 1jee n GLU 490 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1jee s PRO 491 N -1.21 3.73 0.22 5.31 0.04 -1.26 -4.74 135.00 137.09 1jee s PRO 491 Ca 0.60 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.85 1jee s PRO 491 Cb -0.53 -2.67 0.22 0.00 0.04 0.00 0.00 34.50 31.56 1jee s PRO 491 CO 0.56 -0.77 1.57 0.82 0.04 0.00 0.00 177.00 179.22 1jee h ILE 492 N 2.33 0.09 -0.33 0.56 2.04 -1.99 0.16 117.51 120.37 1jee h ILE 492 Ca -0.51 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.44 1jee h ILE 492 Cb 1.26 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1jee h ILE 492 CO 0.61 0.00 0.24 0.77 0.00 0.00 0.00 178.15 179.77 1jee h SER 493 N -0.06 0.05 -0.12 1.72 4.64 -1.99 0.50 113.55 118.29 1jee h SER 493 Ca 0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 1jee h SER 493 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1jee h SER 493 CO -0.85 0.03 -0.29 0.45 -0.87 0.00 0.00 176.83 175.29 1jee h HIS 494 N 0.05 0.52 -0.74 4.77 3.86 -1.06 -1.68 115.15 120.87 1jee h HIS 494 Ca 0.16 -0.20 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1jee h HIS 494 Cb 0.56 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1jee h HIS 494 CO -0.00 0.91 0.23 0.82 0.86 0.00 0.00 177.93 180.75 1jee h ILE 495 N -0.02 1.26 -0.40 2.45 2.04 -0.35 -1.87 117.51 120.62 1jee h ILE 495 Ca -0.00 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1jee h ILE 495 Cb 0.90 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1jee h ILE 495 CO 0.06 0.36 0.23 0.58 0.00 0.00 0.00 178.15 179.38 1jee h VAL 496 N 1.10 1.14 -0.67 1.67 2.07 -0.04 -0.31 116.25 121.21 1jee h VAL 496 Ca 0.24 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1jee h VAL 496 Cb 0.31 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1jee h VAL 496 CO -0.01 0.14 0.17 -0.61 0.02 0.00 0.00 177.57 177.29 1jee h GLN 497 N 0.53 1.06 -0.24 1.57 4.15 -1.07 0.41 115.11 121.52 1jee h GLN 497 Ca 0.14 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1jee h GLN 497 Cb 0.03 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1jee h GLN 497 CO -0.03 0.93 0.15 0.87 -1.93 0.00 0.00 178.83 178.82 1jee h LYS 498 N 1.01 0.32 -0.57 1.69 1.57 -0.95 -0.40 116.57 119.24 1jee h LYS 498 Ca 0.21 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1jee h LYS 498 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1jee h LYS 498 CO -0.00 0.23 0.04 0.28 -0.57 0.00 0.00 179.45 179.43 1jee h VAL 499 N 0.31 1.26 -0.24 0.50 2.07 -0.60 -1.97 116.25 117.58 1jee h VAL 499 Ca 0.09 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1jee h VAL 499 Cb -0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1jee h VAL 499 CO -0.02 0.38 0.07 0.58 0.02 0.00 0.00 177.57 178.61 1jee h VAL 500 N 0.87 1.19 -0.03 2.57 2.07 -0.71 -1.66 116.25 120.55 1jee h VAL 500 Ca 0.17 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1jee h VAL 500 Cb 0.49 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1jee h VAL 500 CO 0.02 0.20 -0.39 -0.07 0.02 0.00 0.00 177.57 177.34 1jee h LEU 501 N 0.21 0.06 -0.06 2.57 3.38 -1.04 0.63 115.31 121.06 1jee h LEU 501 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jee h LEU 501 Cb 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jee h LEU 501 CO -0.00 0.45 -0.01 0.15 0.09 0.00 0.00 178.44 179.12 1jee h PHE 502 N 0.05 0.12 -0.33 1.13 3.57 -1.21 0.14 116.94 120.42 1jee h PHE 502 Ca 0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1jee h PHE 502 Cb 0.72 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1jee h PHE 502 CO 0.00 0.41 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.40 1jee h LEU 503 N -0.21 0.48 -0.24 0.59 3.38 -1.03 -1.48 115.31 116.80 1jee h LEU 503 Ca 0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1jee h LEU 503 Cb 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1jee h LEU 503 CO 0.00 0.57 -0.08 -0.08 0.09 0.00 0.00 178.44 178.95 1jee h GLU 504 N 0.49 0.48 -0.26 1.13 4.22 -0.67 -1.20 114.58 118.78 1jee h GLU 504 Ca 0.10 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.37 1jee h GLU 504 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1jee h GLU 504 CO 0.01 0.73 0.17 0.22 -2.18 0.00 0.00 179.01 177.96 1jee h ASP 505 N 0.22 0.22 -0.43 1.04 -0.00 -0.29 -1.30 116.42 115.88 1jee h ASP 505 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1jee h ASP 505 Cb 0.56 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1jee h ASP 505 CO 0.03 0.16 0.00 0.59 -0.00 0.00 0.00 179.24 180.02 1jee n ASN 506 N -4.50 4.15 0.00 2.28 4.13 -0.60 -4.93 115.26 115.79 1jee n ASN 506 Ca 0.02 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.71 1jee n ASN 506 Cb 0.14 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1jee n ASN 506 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jee n GLY 507 N 0.57 1.04 0.24 7.41 0.00 -0.49 -4.89 105.19 109.08 1jee n GLY 507 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1jee n GLY 507 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jee h PHE 508 N 0.00 0.00 -4.41 1.61 -1.00 -1.44 -1.97 116.94 109.74 1jee h PHE 508 Ca 0.00 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 1jee h PHE 508 Cb 0.00 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.26 1jee h PHE 508 CO 0.00 0.17 -0.85 -0.06 -1.61 0.00 0.00 178.31 175.95 1jee s PHE 509 N -4.24 1.84 -0.03 -0.55 0.08 -1.24 -4.29 117.98 109.54 1jee s PHE 509 Ca -0.03 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 1jee s PHE 509 Cb 0.14 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1jee s PHE 509 CO 0.62 -0.04 0.02 0.08 -0.10 0.00 0.00 175.22 175.81 1jee s VAL 510 N -0.47 0.09 -0.71 -0.44 1.01 -1.26 -4.63 120.40 113.99 1jee s VAL 510 Ca 0.08 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1jee s VAL 510 Cb -0.08 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1jee s VAL 510 CO -0.01 0.15 0.68 0.49 0.00 0.00 0.00 175.10 176.41