#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 3.39 0.72 3.55 0.00 -1.26 -4.86 121.76 123.30 1jee s ALA 3 Ca 0.00 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 1jee s ALA 3 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1jee s ALA 3 CO 0.00 -0.73 1.22 -0.35 0.00 0.00 0.00 175.76 175.90 1jee n PRO 4 N 0.47 0.66 -1.68 0.00 -0.04 -1.26 -4.77 135.00 128.39 1jee n PRO 4 Ca 0.02 0.29 -0.46 0.00 -0.04 0.00 0.00 63.50 63.31 1jee n PRO 4 Cb 0.43 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.39 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 -2.55 2.40 0.00 0.54 -0.00 -1.26 0.58 115.22 114.92 1jee n HIS 5 Ca 0.15 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1jee n HIS 5 Cb 0.49 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.70 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 4.09 1.22 0.70 1.57 0.00 -1.26 -2.40 105.19 109.11 1jee n GLY 6 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 3.08 3.10 -0.02 0.00 0.20 -4.99 105.19 104.55 1jee n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.54 1.66 -0.12 -0.61 1.01 -1.26 -4.49 121.20 114.86 1jee s ILE 8 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1jee s ILE 8 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1jee s ILE 8 CO 0.00 0.47 1.50 -0.22 0.00 0.00 0.00 174.94 176.69 1jee s LEU 9 N 0.85 4.21 -0.67 2.97 2.96 -1.26 -4.78 118.68 122.96 1jee s LEU 9 Ca -0.09 1.94 -0.06 0.00 -0.22 0.00 0.00 54.13 55.71 1jee s LEU 9 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1jee s LEU 9 CO -0.00 -0.90 2.96 0.00 -1.32 0.00 0.00 176.35 177.08 1jee n GLN 10 N 7.00 2.93 -2.20 1.98 1.13 -1.26 -4.88 117.38 122.07 1jee n GLN 10 Ca 0.16 -2.19 -0.31 0.00 -1.94 0.00 0.00 57.00 52.72 1jee n GLN 10 Cb 0.44 -2.30 -0.04 0.00 0.11 0.00 0.00 30.24 28.45 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 1.06 5.54 0.42 1.08 -1.08 -1.26 -2.98 116.67 119.45 1jee s ASP 11 Ca 0.62 -1.04 0.29 0.00 -0.52 0.00 0.00 52.55 51.90 1jee s ASP 11 Cb 0.30 -2.57 1.15 0.00 -1.46 0.00 0.00 42.92 40.34 1jee s ASP 11 CO -0.11 -2.40 1.85 -0.07 0.52 0.00 0.00 175.17 174.96 1jee h LEU 12 N 16.36 0.00 -0.31 -1.34 3.38 -0.68 -1.09 115.31 131.63 1jee h LEU 12 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1jee h LEU 12 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jee h LEU 12 CO 1.28 0.00 -0.04 0.40 0.09 0.00 0.00 178.44 180.17 1jee h ILE 13 N 0.00 1.27 -0.17 1.22 1.08 -1.83 0.27 117.51 119.34 1jee h ILE 13 Ca 0.00 -1.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.40 1jee h ILE 13 Cb 0.49 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1jee h ILE 13 CO 0.00 0.34 -0.00 0.00 -0.69 0.00 0.00 178.15 177.79 1jee h ALA 14 N 0.82 0.24 -0.22 1.87 0.00 -1.74 -2.29 119.26 117.93 1jee h ALA 14 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jee h ALA 14 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1jee h ALA 14 CO 0.02 -0.05 0.02 -0.09 0.00 0.00 0.00 179.25 179.16 1jee h ARG 15 N 0.06 0.10 -0.35 0.00 2.43 -1.10 -3.00 114.38 112.52 1jee h ARG 15 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1jee h ARG 15 Cb 0.39 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1jee h ARG 15 CO 0.01 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.28 1jee n ASP 16 N -5.11 2.25 -0.36 -3.80 10.43 0.07 -4.64 116.55 115.38 1jee n ASP 16 Ca -0.02 -1.91 0.01 0.00 2.57 0.00 0.00 54.79 55.44 1jee n ASP 16 Cb 0.11 -0.23 0.07 0.00 1.84 0.00 0.00 41.12 42.91 1jee n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jee h ALA 17 N 3.96 0.30 0.00 2.24 0.00 -1.26 0.16 119.26 124.66 1jee h ALA 17 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jee h ALA 17 Cb 0.60 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1jee h ALA 17 CO 0.00 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 179.98 1jee n LEU 18 N -5.52 0.00 -0.93 0.00 4.32 -1.26 -1.89 117.00 111.73 1jee n LEU 18 Ca 0.11 0.32 0.11 0.00 -0.02 0.00 0.00 56.01 56.54 1jee n LEU 18 Cb 0.42 -0.32 0.11 0.00 -1.62 0.00 0.00 43.42 42.02 1jee n LEU 18 CO -0.12 -0.14 0.62 0.29 -1.22 0.00 0.00 177.39 176.82 1jee n LYS 19 N -1.32 2.16 0.06 3.23 5.02 0.53 -4.62 118.16 123.22 1jee n LYS 19 Ca 0.07 -1.90 -0.14 0.00 -2.02 0.00 0.00 58.31 54.32 1jee n LYS 19 Cb 0.15 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.64 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 4.36 -0.60 -0.66 1.97 1.63 -1.11 0.34 116.57 122.51 1jee h LYS 20 Ca 0.00 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1jee h LYS 20 Cb 0.93 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 1jee h LYS 20 CO 0.00 -0.40 0.34 -0.91 -3.45 0.00 0.00 179.45 175.03 1jee h ASN 21 N -0.62 0.83 -0.09 4.20 -0.26 -1.82 -1.42 115.58 116.41 1jee h ASN 21 Ca 0.03 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1jee h ASN 21 Cb 0.69 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1jee h ASN 21 CO -0.34 0.69 -0.12 -0.33 -1.06 0.00 0.00 177.43 176.26 1jee h GLU 22 N 0.93 0.24 -0.52 0.81 3.07 -1.74 -2.12 114.58 115.24 1jee h GLU 22 Ca 0.23 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1jee h GLU 22 Cb 0.06 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1jee h GLU 22 CO -0.03 0.70 0.31 -0.07 -1.40 0.00 0.00 179.01 178.51 1jee h LEU 23 N -0.20 0.63 -0.57 1.33 3.38 -0.22 -1.20 115.31 118.45 1jee h LEU 23 Ca 0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jee h LEU 23 Cb 0.67 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1jee h LEU 23 CO 0.03 0.49 -0.02 0.25 0.09 0.00 0.00 178.44 179.28 1jee h LEU 24 N 0.72 1.01 -0.15 1.67 6.46 -1.17 0.59 115.31 124.43 1jee h LEU 24 Ca 0.19 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 1jee h LEU 24 Cb -0.01 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 1jee h LEU 24 CO -0.03 1.08 0.02 -1.28 -0.62 0.00 0.00 178.44 177.60 1jee h SER 25 N 0.91 0.24 -0.92 1.25 0.87 -0.67 -2.00 113.55 113.24 1jee h SER 25 Ca 0.16 -0.28 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1jee h SER 25 Cb 0.57 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 1jee h SER 25 CO 0.03 0.46 0.61 -0.08 -0.53 0.00 0.00 176.83 177.32 1jee h GLU 26 N 0.02 1.13 -0.42 2.24 4.81 -1.13 -1.61 114.58 119.62 1jee h GLU 26 Ca 0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1jee h GLU 26 Cb 0.33 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1jee h GLU 26 CO 0.00 0.75 0.18 0.00 -0.73 0.00 0.00 179.01 179.22 1jee h ALA 27 N 1.46 1.54 -0.38 2.92 0.00 -0.58 -2.85 119.26 121.36 1jee h ALA 27 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jee h ALA 27 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jee h ALA 27 CO -0.11 0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.55 1jee n GLN 28 N -4.39 2.49 -2.28 0.00 6.02 -0.78 -4.92 117.38 113.53 1jee n GLN 28 Ca 0.03 -2.28 -0.41 0.00 -0.01 0.00 0.00 57.00 54.33 1jee n GLN 28 Cb 0.13 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.47 6.96 0.00 1.08 1.04 -0.66 -4.91 113.70 115.74 1jee s SER 29 Ca 0.38 2.33 0.05 0.00 0.48 0.00 0.00 55.95 59.19 1jee s SER 29 Cb 0.22 -2.61 0.23 0.00 0.10 0.00 0.00 66.02 63.97 1jee s SER 29 CO 0.31 -0.48 1.09 -1.54 0.98 0.00 0.00 173.24 173.61 1jee n SER 30 N 2.65 0.00 -0.02 7.02 3.41 -1.26 -2.96 113.62 122.46 1jee n SER 30 Ca 0.06 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1jee n SER 30 Cb 0.43 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.03 -4.08 4.04 5.19 -1.93 -3.48 116.42 116.19 1jee h ASP 31 Ca 0.00 -0.06 -0.52 0.00 -0.62 0.00 0.00 57.03 55.83 1jee h ASP 31 Cb 0.07 -0.01 0.10 0.00 0.18 0.00 0.00 39.33 39.67 1jee h ASP 31 CO 0.00 1.05 0.48 -0.51 -3.12 0.00 0.00 179.24 177.14 1jee s ILE 32 N -2.60 2.77 0.15 0.35 2.07 -1.16 -5.01 121.20 117.77 1jee s ILE 32 Ca -0.06 0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 59.40 1jee s ILE 32 Cb 0.08 -3.21 -0.07 0.00 0.13 0.00 0.00 42.46 39.38 1jee s ILE 32 CO 0.82 -0.08 0.89 -0.22 -1.91 0.00 0.00 174.94 174.44 1jee s LEU 33 N -3.81 4.55 -0.05 8.50 2.96 -1.26 -4.91 118.68 124.66 1jee s LEU 33 Ca 0.74 1.75 0.06 0.00 -0.22 0.00 0.00 54.13 56.46 1jee s LEU 33 Cb -0.30 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1jee s LEU 33 CO 0.33 0.07 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.50 1jee s VAL 34 N -0.58 2.14 -0.13 1.68 1.01 -1.26 -0.36 120.40 122.89 1jee s VAL 34 Ca 0.42 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1jee s VAL 34 Cb -0.24 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1jee s VAL 34 CO 0.29 0.57 -0.20 0.86 0.00 0.00 0.00 175.10 176.61 1jee s TRP 35 N -0.28 2.46 -0.34 5.22 -0.11 -0.63 -4.97 118.94 120.29 1jee s TRP 35 Ca 0.00 -1.19 -0.20 0.00 1.22 0.00 0.00 56.10 55.93 1jee s TRP 35 Cb -0.13 -1.69 -0.00 0.00 -1.50 0.00 0.00 33.47 30.15 1jee s TRP 35 CO 0.03 -0.55 0.61 1.21 -4.62 0.00 0.00 176.95 173.63 1jee s ASN 36 N 0.79 6.42 0.28 5.86 2.47 -1.26 -1.66 114.94 127.84 1jee s ASN 36 Ca -0.09 0.18 -0.29 0.00 0.42 0.00 0.00 52.86 53.08 1jee s ASN 36 Cb -0.16 -2.32 -0.13 0.00 -1.45 0.00 0.00 41.25 37.19 1jee s ASN 36 CO -0.00 -0.55 1.26 0.18 -3.72 0.00 0.00 177.10 174.27 1jee n LEU 37 N 5.95 2.84 -4.88 3.21 4.77 -0.02 -4.96 117.00 123.91 1jee n LEU 37 Ca -0.02 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 1jee n LEU 37 Cb 0.49 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.19 1jee n LEU 37 CO 0.48 -0.76 0.63 0.42 -1.33 0.00 0.00 177.39 176.83 1jee s THR 38 N -0.67 4.54 0.17 -5.08 -4.23 -1.26 -4.75 115.64 104.37 1jee s THR 38 Ca 0.62 0.58 -0.22 0.00 -1.18 0.00 0.00 61.69 61.50 1jee s THR 38 Cb -0.65 -3.79 0.08 0.00 1.34 0.00 0.00 72.50 69.48 1jee s THR 38 CO 0.57 -0.96 1.60 -0.65 -0.54 0.00 0.00 174.62 174.64 1jee h PRO 39 N -0.20 -0.21 -0.54 3.99 0.11 -1.99 0.83 132.00 133.99 1jee h PRO 39 Ca -0.45 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jee h PRO 39 Cb 1.21 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1jee h PRO 39 CO 0.62 -0.14 0.31 -0.09 -0.21 0.00 0.00 178.00 178.50 1jee h ARG 40 N -0.21 0.72 -0.47 1.05 2.43 -1.96 -1.05 114.38 114.89 1jee h ARG 40 Ca 0.19 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1jee h ARG 40 Cb 0.52 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1jee h ARG 40 CO -0.55 0.52 -0.01 1.96 -1.51 0.00 0.00 179.97 180.38 1jee h GLN 41 N 0.74 0.78 -0.93 0.20 4.20 -1.53 -1.39 115.11 117.18 1jee h GLN 41 Ca 0.19 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jee h GLN 41 Cb -0.02 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1jee h GLN 41 CO -0.04 0.79 0.60 -0.07 -0.67 0.00 0.00 178.83 179.44 1jee h LEU 42 N 0.73 1.08 -0.02 1.46 3.38 0.40 0.58 115.31 122.92 1jee h LEU 42 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jee h LEU 42 Cb 0.46 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jee h LEU 42 CO 0.02 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.35 1jee h ASP 44 N -0.19 -0.22 -0.93 0.00 3.45 -0.77 -2.66 116.42 115.09 1jee h ASP 44 Ca 0.01 -0.05 0.21 0.00 0.43 0.00 0.00 57.03 57.62 1jee h ASP 44 Cb 0.23 0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 38.98 1jee h ASP 44 CO 0.00 -0.09 0.61 -0.29 -1.57 0.00 0.00 179.24 177.90 1jee h ILE 45 N -0.34 0.67 -0.16 0.35 6.09 0.15 0.00 117.51 124.28 1jee h ILE 45 Ca -0.03 -0.16 -0.15 0.00 -1.37 0.00 0.00 64.86 63.15 1jee h ILE 45 Cb 0.26 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1jee h ILE 45 CO 0.04 0.08 -0.55 -0.08 -3.07 0.00 0.00 178.15 174.58 1jee h GLU 46 N 0.46 0.47 0.00 2.19 4.81 -1.11 -1.35 114.58 120.05 1jee h GLU 46 Ca 0.50 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1jee h GLU 46 Cb 1.15 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1jee h GLU 46 CO -0.21 0.90 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.85 1jee h LEU 47 N 0.36 0.00 0.04 1.64 -0.00 -0.74 -2.64 115.31 113.98 1jee h LEU 47 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 1jee h LEU 47 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1jee h LEU 47 CO 0.10 0.04 -0.59 0.40 -0.00 0.00 0.00 178.44 178.39 1jee h ILE 48 N 0.00 1.46 -0.08 1.22 2.04 -0.96 0.16 117.51 121.35 1jee h ILE 48 Ca -0.00 -2.35 -0.04 0.00 1.00 0.00 0.00 64.86 63.47 1jee h ILE 48 Cb 0.94 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1jee h ILE 48 CO 0.00 0.58 -0.14 -0.07 0.00 0.00 0.00 178.15 178.52 1jee h LEU 49 N -0.80 0.11 -1.33 1.44 3.38 -1.31 -3.02 115.31 113.79 1jee h LEU 49 Ca -0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jee h LEU 49 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1jee h LEU 49 CO -0.01 0.27 0.00 -0.46 0.09 0.00 0.00 178.44 178.33 1jee n ASN 50 N -4.31 2.03 0.00 -0.43 0.23 -0.99 0.01 115.26 111.79 1jee n ASN 50 Ca -0.02 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 1jee n ASN 50 Cb 0.25 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 1.23 0.77 0.34 4.83 0.00 -1.14 -4.34 105.19 106.88 1jee n GLY 51 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 0.08 -3.36 -0.02 0.00 -1.58 -1.64 103.07 96.55 1jee h GLY 52 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 1jee h GLY 52 CO 0.00 0.02 0.29 0.69 0.00 0.00 0.00 176.54 177.53 1jee n PHE 53 N -4.44 2.29 -1.69 5.60 3.72 0.47 -4.55 117.46 118.87 1jee n PHE 53 Ca 0.06 -1.37 -0.43 0.00 -0.05 0.00 0.00 57.45 55.66 1jee n PHE 53 Cb 0.41 -0.69 -0.01 0.00 -0.94 0.00 0.00 39.48 38.25 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 -0.52 2.67 -0.05 4.37 7.64 -0.62 0.30 113.62 127.40 1jee n SER 54 Ca 0.42 1.19 0.14 0.00 1.01 0.00 0.00 58.87 61.63 1jee n SER 54 Cb 1.37 -1.46 0.78 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.89 1.07 -1.50 1.43 -0.04 -1.01 -4.42 135.00 131.43 1jee n PRO 55 Ca 0.06 -0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1jee n PRO 55 Cb 0.35 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.81 2.36 -0.56 1.53 4.32 0.15 -4.92 117.00 119.06 1jee n LEU 56 Ca 0.20 0.73 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 1jee n LEU 56 Cb 0.12 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.63 1jee n LEU 56 CO 0.16 -2.45 0.24 0.35 -1.22 0.00 0.00 177.39 174.46 1jee n THR 57 N -1.91 0.00 -2.93 -5.08 -2.24 -1.26 -4.86 114.28 96.00 1jee n THR 57 Ca 0.13 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1jee n THR 57 Cb 0.48 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.03 -1.31 3.77 3.38 0.00 -1.26 -0.44 105.19 109.36 1jee n GLY 58 Ca 0.00 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.89 3.68 0.12 1.61 0.40 -0.63 -4.94 117.98 115.32 1jee s PHE 59 Ca 0.00 1.14 -0.35 0.00 -0.60 0.00 0.00 56.93 57.12 1jee s PHE 59 Cb 0.00 -2.56 -0.16 0.00 0.51 0.00 0.00 43.02 40.82 1jee s PHE 59 CO 0.00 0.38 1.41 1.28 0.70 0.00 0.00 175.22 178.99 1jee n LEU 60 N 2.67 2.17 -4.92 -0.37 4.77 -0.49 -1.16 117.00 119.67 1jee n LEU 60 Ca -0.08 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.72 1jee n LEU 60 Cb 0.51 -1.28 0.14 0.00 -2.33 0.00 0.00 43.42 40.46 1jee n LEU 60 CO 0.43 -0.80 0.82 0.54 -1.33 0.00 0.00 177.39 177.05 1jee s ASN 61 N 0.58 3.82 0.28 -1.43 6.03 -1.26 -3.78 114.94 119.18 1jee s ASN 61 Ca 0.81 0.49 -0.01 0.00 -1.03 0.00 0.00 52.86 53.12 1jee s ASN 61 Cb -0.84 -0.76 0.44 0.00 -3.03 0.00 0.00 41.25 37.06 1jee s ASN 61 CO 0.44 -2.31 1.91 -0.08 -2.03 0.00 0.00 177.10 175.03 1jee h GLU 62 N -1.32 1.10 -0.00 3.55 4.81 -1.94 0.18 114.58 120.96 1jee h GLU 62 Ca -0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1jee h GLU 62 Cb 1.28 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1jee h GLU 62 CO 0.51 0.73 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.55 1jee h ASN 63 N 1.14 -0.02 -0.07 1.04 -0.00 -2.00 -0.26 115.58 115.40 1jee h ASN 63 Ca 0.40 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.50 1jee h ASN 63 Cb 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1jee h ASN 63 CO -0.14 -0.01 -0.71 0.44 -0.00 0.00 0.00 177.43 177.01 1jee h ASP 64 N -0.01 0.83 -0.40 1.15 3.45 -1.87 -2.85 116.42 116.71 1jee h ASP 64 Ca 0.00 -0.52 0.04 0.00 0.43 0.00 0.00 57.03 56.99 1jee h ASP 64 Cb 0.02 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.50 1jee h ASP 64 CO -0.01 1.30 0.17 0.22 -1.57 0.00 0.00 179.24 179.35 1jee h TYR 65 N 0.50 0.31 -0.00 4.55 3.20 -0.43 -1.03 116.97 124.06 1jee h TYR 65 Ca -0.03 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 1jee h TYR 65 Cb 1.31 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1jee h TYR 65 CO 0.07 0.14 -0.67 0.66 -1.64 0.00 0.00 178.16 176.72 1jee h SER 66 N 0.35 0.00 -0.69 -2.11 4.64 -1.11 -1.88 113.55 112.75 1jee h SER 66 Ca 0.18 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 1jee h SER 66 Cb 0.12 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1jee h SER 66 CO -0.15 0.68 0.20 -1.28 -0.87 0.00 0.00 176.83 175.41 1jee h SER 67 N 0.00 1.02 -0.22 4.97 0.87 -1.19 -0.71 113.55 118.30 1jee h SER 67 Ca -0.01 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.21 1jee h SER 67 Cb 1.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1jee h SER 67 CO 0.09 0.97 -0.32 0.58 -0.53 0.00 0.00 176.83 177.62 1jee h VAL 68 N 1.03 1.28 -0.09 2.23 2.07 -0.10 1.01 116.25 123.68 1jee h VAL 68 Ca 0.22 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1jee h VAL 68 Cb 0.32 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1jee h VAL 68 CO -0.00 0.48 -0.01 0.58 0.02 0.00 0.00 177.57 178.63 1jee h VAL 69 N 0.61 1.28 0.00 2.57 2.07 -1.03 -2.29 116.25 119.46 1jee h VAL 69 Ca 0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1jee h VAL 69 Cb 0.84 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1jee h VAL 69 CO 0.07 0.25 -1.28 0.35 0.02 0.00 0.00 177.57 176.98 1jee n THR 70 N -4.80 0.24 -0.08 2.57 -2.24 -0.30 -4.57 114.28 105.09 1jee n THR 70 Ca -0.06 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1jee n THR 70 Cb 0.22 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.22 0.62 -2.31 3.42 10.43 0.35 -4.98 116.55 121.86 1jee n ASP 71 Ca -0.00 -0.83 -0.17 0.00 2.57 0.00 0.00 54.79 56.36 1jee n ASP 71 Cb 0.50 0.26 -0.02 0.00 1.84 0.00 0.00 41.12 43.71 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 -0.26 -4.89 -3.77 -2.24 7.64 -0.86 -4.93 113.62 104.31 1jee n SER 72 Ca 0.00 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 1jee n SER 72 Cb 0.02 -4.13 -0.08 0.00 -1.01 0.00 0.00 64.21 59.01 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 -4.85 0.74 0.82 1.43 0.52 -1.13 -1.74 118.95 114.74 1jee s ARG 73 Ca 0.00 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1jee s ARG 73 Cb 0.00 0.32 0.09 0.00 0.52 0.00 0.00 34.95 35.88 1jee s ARG 73 CO 0.00 -0.22 1.09 -0.51 0.02 0.00 0.00 175.30 175.68 1jee s LEU 74 N -1.83 2.55 0.36 2.53 1.43 0.02 -1.51 118.68 122.23 1jee s LEU 74 Ca -0.08 1.44 0.13 0.00 -1.03 0.00 0.00 54.13 54.59 1jee s LEU 74 Cb -0.02 -4.01 0.94 0.00 0.03 0.00 0.00 46.19 43.13 1jee s LEU 74 CO -0.01 -2.18 1.80 0.00 0.23 0.00 0.00 176.35 176.18 1jee h ALA 75 N -1.23 1.98 -0.02 4.21 0.00 -1.80 0.86 119.26 123.25 1jee h ALA 75 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jee h ALA 75 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jee h ALA 75 CO 0.57 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1jee n ASP 76 N -4.66 0.12 0.00 0.00 3.85 -1.26 -4.88 116.55 109.73 1jee n ASP 76 Ca 0.23 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 1jee n ASP 76 Cb 0.69 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.44 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 0.51 1.94 3.72 6.12 0.00 0.30 -5.03 105.19 112.74 1jee n GLY 77 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1jee n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jee s THR 78 N -2.33 2.11 -0.07 2.61 2.01 -1.26 -4.68 115.64 114.04 1jee s THR 78 Ca 0.00 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1jee s THR 78 Cb 0.00 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1jee s THR 78 CO 0.00 0.01 1.98 -0.22 -0.69 0.00 0.00 174.62 175.69 1jee s LEU 79 N 1.22 4.09 -0.25 4.42 2.96 -1.26 -0.80 118.68 129.06 1jee s LEU 79 Ca 0.74 2.31 -0.06 0.00 -0.22 0.00 0.00 54.13 56.90 1jee s LEU 79 Cb -0.49 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 42.80 1jee s LEU 79 CO 0.32 -1.32 0.51 0.86 -1.32 0.00 0.00 176.35 175.40 1jee s TRP 80 N 5.58 -1.11 -0.38 5.38 -0.11 -0.71 -4.89 118.94 122.69 1jee s TRP 80 Ca 0.89 1.67 0.22 0.00 1.22 0.00 0.00 56.10 60.10 1jee s TRP 80 Cb -0.37 0.45 -0.12 0.00 -1.50 0.00 0.00 33.47 31.93 1jee s TRP 80 CO 0.38 -0.65 0.83 0.25 -4.62 0.00 0.00 176.95 173.13 1jee n THR 81 N 5.41 0.18 -4.28 5.86 -2.24 -1.26 -2.84 114.28 115.10 1jee n THR 81 Ca -0.07 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 1jee n THR 81 Cb 0.50 0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.32 2.79 0.01 2.28 -1.09 -1.26 -4.91 121.20 115.70 1jee s ILE 82 Ca -0.01 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 1jee s ILE 82 Cb 0.14 -2.21 -0.06 0.00 -1.58 0.00 0.00 42.46 38.75 1jee s ILE 82 CO 0.84 0.49 1.40 -2.16 -1.23 0.00 0.00 174.94 174.29 1jee s PRO 83 N 1.06 4.29 -0.40 2.79 0.04 -1.26 -4.97 135.00 136.54 1jee s PRO 83 Ca -0.00 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 1jee s PRO 83 Cb -0.15 -3.55 0.07 0.00 0.04 0.00 0.00 34.50 30.92 1jee s PRO 83 CO -0.03 -0.56 0.23 0.42 0.04 0.00 0.00 177.00 177.10 1jee s ILE 84 N 2.29 4.13 0.24 0.56 -1.09 -1.26 -5.07 121.20 121.01 1jee s ILE 84 Ca 0.64 -1.37 0.08 0.00 -2.23 0.00 0.00 60.65 57.77 1jee s ILE 84 Cb -0.32 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1jee s ILE 84 CO 0.27 -0.46 -0.13 0.42 -1.23 0.00 0.00 174.94 173.81 1jee s THR 85 N 1.41 1.81 -0.47 2.92 -4.23 -1.26 -1.39 115.64 114.43 1jee s THR 85 Ca 0.03 -2.21 -0.12 0.00 -1.18 0.00 0.00 61.69 58.21 1jee s THR 85 Cb -0.22 -2.21 0.10 0.00 1.34 0.00 0.00 72.50 71.51 1jee s THR 85 CO 0.02 -0.48 0.37 -0.22 -0.54 0.00 0.00 174.62 173.77 1jee s LEU 86 N -3.38 5.67 -0.19 4.79 2.96 -1.26 -4.98 118.68 122.28 1jee s LEU 86 Ca 0.26 -1.69 -0.22 0.00 -0.22 0.00 0.00 54.13 52.26 1jee s LEU 86 Cb 0.00 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1jee s LEU 86 CO 0.10 -0.69 0.67 1.51 -1.32 0.00 0.00 176.35 176.62 1jee s ASP 87 N 2.74 6.75 0.37 3.68 3.84 -1.26 -0.74 116.67 132.05 1jee s ASP 87 Ca 0.04 0.91 0.03 0.00 -0.00 0.00 0.00 52.55 53.53 1jee s ASP 87 Cb -0.26 -2.37 -0.04 0.00 -1.38 0.00 0.00 42.92 38.87 1jee s ASP 87 CO 0.02 -0.29 0.09 0.68 -0.00 0.00 0.00 175.17 175.68 1jee s VAL 88 N 1.90 0.86 0.37 2.11 -7.23 0.30 -4.32 120.40 114.40 1jee s VAL 88 Ca 0.31 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1jee s VAL 88 Cb -0.16 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1jee s VAL 88 CO 0.11 0.00 0.58 1.51 -0.31 0.00 0.00 175.10 176.99 1jee s ASP 89 N -3.56 6.25 0.26 4.85 3.84 -1.26 -1.40 116.67 125.65 1jee s ASP 89 Ca 0.28 0.48 -0.01 0.00 -0.00 0.00 0.00 52.55 53.30 1jee s ASP 89 Cb 0.05 -2.00 0.58 0.00 -1.38 0.00 0.00 42.92 40.17 1jee s ASP 89 CO 0.14 -0.36 1.69 -0.08 -0.00 0.00 0.00 175.17 176.56 1jee h GLU 90 N 0.67 0.32 -0.17 2.11 4.81 -1.96 0.35 114.58 120.70 1jee h GLU 90 Ca -0.49 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1jee h GLU 90 Cb 1.22 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1jee h GLU 90 CO 0.61 0.21 -0.38 0.00 -0.73 0.00 0.00 179.01 178.72 1jee h ALA 91 N 1.66 -0.48 -0.37 2.92 0.00 -2.00 -1.16 119.26 119.83 1jee h ALA 91 Ca 0.48 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.24 1jee h ALA 91 Cb 0.86 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1jee h ALA 91 CO -0.52 -0.86 -0.39 0.35 0.00 0.00 0.00 179.25 177.82 1jee h PHE 92 N -0.43 1.11 -0.98 0.00 3.57 -1.80 -3.17 116.94 115.24 1jee h PHE 92 Ca 0.09 -0.34 0.14 0.00 3.53 0.00 0.00 57.97 61.39 1jee h PHE 92 Cb 0.59 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 1jee h PHE 92 CO -0.47 1.16 0.62 0.00 -2.23 0.00 0.00 178.31 177.39 1jee h ALA 93 N 0.76 1.63 0.00 2.41 0.00 -0.55 -1.83 119.26 121.67 1jee h ALA 93 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jee h ALA 93 Cb 0.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jee h ALA 93 CO 0.10 0.11 0.00 -0.91 0.00 0.00 0.00 179.25 178.54 1jee h ASN 94 N 0.88 0.00 -0.09 0.00 -0.26 -1.19 -2.93 115.58 112.00 1jee h ASN 94 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.24 1jee h ASN 94 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1jee h ASN 94 CO -0.27 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.10 1jee n GLN 95 N -2.41 1.92 -4.45 0.81 6.02 -0.69 -4.93 117.38 113.65 1jee n GLN 95 Ca 0.01 -1.35 -0.26 0.00 -0.01 0.00 0.00 57.00 55.40 1jee n GLN 95 Cb 0.21 -1.46 -0.13 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.90 1.80 0.24 5.09 -4.36 -1.11 -5.11 121.20 115.86 1jee s ILE 96 Ca 0.35 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1jee s ILE 96 Cb 0.20 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 42.26 1jee s ILE 96 CO 0.31 0.07 0.11 -1.59 0.24 0.00 0.00 174.94 174.08 1jee s LYS 97 N -1.66 1.35 0.87 0.37 -2.85 -1.26 -4.96 119.74 111.59 1jee s LYS 97 Ca 0.08 -1.72 -0.11 0.00 -1.00 0.00 0.00 55.97 53.22 1jee s LYS 97 Cb -0.10 -0.10 0.12 0.00 -2.06 0.00 0.00 37.83 35.69 1jee s LYS 97 CO 0.04 -0.32 1.17 -2.14 0.10 0.00 0.00 175.35 174.19 1jee s PRO 98 N -4.07 1.29 0.00 1.78 0.02 -1.26 -2.40 135.00 130.36 1jee s PRO 98 Ca 0.38 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1jee s PRO 98 Cb 0.08 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1jee s PRO 98 CO 0.13 -2.45 0.00 -0.25 -0.33 0.00 0.00 177.00 174.11 1jee n ASP 99 N -3.86 0.00 -4.76 2.53 8.00 -0.57 -4.98 116.55 112.90 1jee n ASP 99 Ca 0.12 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.27 1jee n ASP 99 Cb 0.51 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.65 2.88 -0.18 -3.53 2.01 -1.01 -4.71 115.64 109.46 1jee s THR 100 Ca 0.00 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1jee s THR 100 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1jee s THR 100 CO 0.00 -0.15 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.52 1jee s ARG 101 N -3.48 3.21 0.05 4.92 0.52 -1.26 -0.52 118.95 122.39 1jee s ARG 101 Ca 0.74 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 1jee s ARG 101 Cb -0.26 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1jee s ARG 101 CO 0.33 -0.09 -0.09 0.42 0.02 0.00 0.00 175.30 175.88 1jee s ILE 102 N 1.10 3.42 -0.23 1.52 1.01 -0.37 -4.19 121.20 123.46 1jee s ILE 102 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1jee s ILE 102 Cb -0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1jee s ILE 102 CO -0.04 0.26 0.33 0.00 0.00 0.00 0.00 174.94 175.49 1jee s ALA 103 N -1.09 3.57 -0.38 9.38 0.00 0.51 -1.11 121.76 132.64 1jee s ALA 103 Ca 0.19 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1jee s ALA 103 Cb -0.11 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1jee s ALA 103 CO 0.10 -0.39 0.31 -0.51 0.00 0.00 0.00 175.76 175.27 1jee s LEU 104 N 1.50 4.82 0.25 0.00 1.43 0.44 -1.60 118.68 125.53 1jee s LEU 104 Ca 0.15 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1jee s LEU 104 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1jee s LEU 104 CO 0.08 -0.39 0.28 -0.36 0.23 0.00 0.00 176.35 176.19 1jee s PHE 105 N 1.80 3.24 -0.15 0.29 0.40 -0.66 0.89 117.98 123.79 1jee s PHE 105 Ca 0.07 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1jee s PHE 105 Cb -0.18 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1jee s PHE 105 CO 0.11 0.45 -0.17 -1.14 0.70 0.00 0.00 175.22 175.17 1jee s GLN 106 N -3.92 3.17 -1.62 0.44 0.74 0.23 -0.84 119.66 117.85 1jee s GLN 106 Ca 0.34 -0.77 -0.03 0.00 0.05 0.00 0.00 55.36 54.94 1jee s GLN 106 Cb -0.08 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.45 1jee s GLN 106 CO 0.27 0.01 0.44 -0.25 -0.55 0.00 0.00 175.29 175.21 1jee n ASP 107 N 4.06 -6.10 -4.39 6.67 10.43 -1.26 -0.87 116.55 125.10 1jee n ASP 107 Ca -0.19 -0.21 -0.36 0.00 2.57 0.00 0.00 54.79 56.60 1jee n ASP 107 Cb 0.52 -4.96 -0.09 0.00 1.84 0.00 0.00 41.12 38.43 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 -2.37 -0.40 0.00 -2.24 10.43 -1.26 -4.59 116.55 116.12 1jee n ASP 108 Ca -0.15 -1.24 0.00 0.00 2.57 0.00 0.00 54.79 55.96 1jee n ASP 108 Cb 0.64 -1.71 0.00 0.00 1.84 0.00 0.00 41.12 41.89 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 -4.36 0.00 -3.54 -1.24 2.13 -0.87 -5.09 120.64 107.67 1jee n GLU 109 Ca -0.13 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.30 1jee n GLU 109 Cb 0.59 -0.03 -0.11 0.00 0.27 0.00 0.00 31.44 32.17 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 -1.10 5.28 -0.13 6.31 1.01 -0.05 -4.91 121.20 127.61 1jee s ILE 110 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 1jee s ILE 110 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1jee s ILE 110 CO 0.00 0.19 1.13 -2.16 0.00 0.00 0.00 174.94 174.10 1jee s PRO 111 N 1.82 4.32 -0.23 2.79 0.04 -1.26 0.77 135.00 143.26 1jee s PRO 111 Ca 0.08 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 1jee s PRO 111 Cb -0.16 -3.62 -0.17 0.00 0.04 0.00 0.00 34.50 30.59 1jee s PRO 111 CO 0.11 -0.51 0.05 -0.89 0.04 0.00 0.00 177.00 175.80 1jee n ILE 112 N 4.91 1.54 -3.82 0.56 2.08 0.26 -4.47 119.36 120.41 1jee n ILE 112 Ca 0.11 -0.15 -0.08 0.00 0.56 0.00 0.00 62.75 63.19 1jee n ILE 112 Cb 0.46 -1.98 0.01 0.00 -0.75 0.00 0.00 39.64 37.39 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 -2.41 -0.93 -0.16 -1.39 0.00 -1.08 -0.24 121.76 115.54 1jee s ALA 113 Ca -0.32 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1jee s ALA 113 Cb 0.09 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1jee s ALA 113 CO 0.57 -1.01 -0.19 0.42 0.00 0.00 0.00 175.76 175.55 1jee s ILE 114 N -2.70 2.23 -0.21 0.00 -1.09 -0.59 -0.42 121.20 118.43 1jee s ILE 114 Ca 0.15 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.57 1jee s ILE 114 Cb -0.05 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.86 1jee s ILE 114 CO 0.10 0.53 0.11 -0.22 -1.23 0.00 0.00 174.94 174.23 1jee s LEU 115 N 0.99 3.98 -0.37 2.97 1.98 -0.27 -1.75 118.68 126.21 1jee s LEU 115 Ca -0.03 0.11 -0.14 0.00 -2.89 0.00 0.00 54.13 51.18 1jee s LEU 115 Cb -0.15 -2.04 -0.00 0.00 0.66 0.00 0.00 46.19 44.67 1jee s LEU 115 CO -0.05 0.13 0.29 -0.89 -1.89 0.00 0.00 176.35 173.94 1jee s THR 116 N 0.65 5.25 0.23 3.68 2.01 0.67 -1.23 115.64 126.90 1jee s THR 116 Ca 0.06 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 1jee s THR 116 Cb -0.13 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.46 1jee s THR 116 CO 0.01 -0.14 1.58 -0.69 -0.69 0.00 0.00 174.62 174.70 1jee s VAL 117 N 1.77 2.33 -0.12 3.82 1.01 0.33 -1.93 120.40 127.61 1jee s VAL 117 Ca 0.07 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1jee s VAL 117 Cb -0.18 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1jee s VAL 117 CO 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 175.10 175.19 1jee n GLN 118 N 3.10 1.21 -3.59 2.72 6.02 -0.26 -1.52 117.38 125.06 1jee n GLN 118 Ca 0.11 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1jee n GLN 118 Cb 0.38 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.35 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 -4.84 -0.26 -0.20 1.08 3.84 -1.13 -4.74 116.67 110.42 1jee s ASP 119 Ca -0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 52.55 52.29 1jee s ASP 119 Cb 0.04 0.36 0.06 0.00 -1.38 0.00 0.00 42.92 42.00 1jee s ASP 119 CO 0.36 -0.62 0.00 -0.69 -0.00 0.00 0.00 175.17 174.22 1jee s VAL 120 N -3.02 0.88 0.23 2.11 1.01 -1.26 -1.76 120.40 118.59 1jee s VAL 120 Ca 0.08 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1jee s VAL 120 Cb -0.01 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1jee s VAL 120 CO -0.05 -0.14 -0.12 -0.72 0.00 0.00 0.00 175.10 174.08 1jee s TYR 121 N 1.70 1.80 -0.57 5.22 -0.85 -0.69 -4.97 117.35 118.98 1jee s TYR 121 Ca -0.02 -0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 55.86 1jee s TYR 121 Cb -0.17 -0.90 0.15 0.00 0.38 0.00 0.00 41.96 41.41 1jee s TYR 121 CO -0.07 0.34 0.41 0.21 -1.52 0.00 0.00 175.55 174.91 1jee s LYS 122 N -3.67 2.53 0.64 -3.49 2.20 -1.26 -0.72 119.74 115.97 1jee s LYS 122 Ca 0.25 -2.24 -0.18 0.00 -0.36 0.00 0.00 55.97 53.44 1jee s LYS 122 Cb 0.01 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1jee s LYS 122 CO 0.09 -1.17 1.25 -0.35 -0.36 0.00 0.00 175.35 174.81 1jee n PRO 123 N 4.02 1.10 -2.86 4.03 -0.04 -1.26 -4.94 135.00 135.06 1jee n PRO 123 Ca 0.04 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 1jee n PRO 123 Cb 0.40 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 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 -1.35 6.47 0.59 3.54 3.04 -1.26 -4.88 114.94 121.08 1jee s ASN 124 Ca 0.82 -1.64 0.29 0.00 0.04 0.00 0.00 52.86 52.36 1jee s ASN 124 Cb -0.39 -2.43 1.57 0.00 -1.54 0.00 0.00 41.25 38.47 1jee s ASN 124 CO 0.41 -1.24 2.01 0.11 -3.04 0.00 0.00 177.10 175.36 1jee h LYS 125 N 9.18 0.00 -0.53 0.43 1.57 -1.97 -1.86 116.57 123.39 1jee h LYS 125 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1jee h LYS 125 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1jee h LYS 125 CO 1.17 0.00 -0.14 1.15 -0.57 0.00 0.00 179.45 181.06 1jee h THR 126 N 0.00 1.27 -0.09 -0.16 2.02 -1.98 0.57 112.91 114.54 1jee h THR 126 Ca 0.14 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1jee h THR 126 Cb 0.78 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1jee h THR 126 CO -0.00 0.46 -0.02 0.40 0.37 0.00 0.00 175.52 176.72 1jee h ILE 127 N 0.90 1.30 -0.34 3.11 2.04 -1.76 -0.20 117.51 122.55 1jee h ILE 127 Ca 0.13 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1jee h ILE 127 Cb 0.71 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1jee h ILE 127 CO 0.05 0.27 0.13 -0.08 0.00 0.00 0.00 178.15 178.52 1jee h GLU 128 N -0.17 0.27 -0.63 2.37 4.81 -1.48 0.89 114.58 120.66 1jee h GLU 128 Ca 0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1jee h GLU 128 Cb 0.44 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1jee h GLU 128 CO 0.01 0.18 0.38 0.00 -0.73 0.00 0.00 179.01 178.85 1jee h ALA 129 N 1.21 0.82 0.12 2.92 0.00 -0.78 0.31 119.26 123.88 1jee h ALA 129 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1jee h ALA 129 Cb 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jee h ALA 129 CO -0.15 0.10 -0.71 0.93 0.00 0.00 0.00 179.25 179.42 1jee h GLU 130 N 0.73 0.26 -0.02 0.00 5.08 -0.40 0.43 114.58 120.66 1jee h GLU 130 Ca 0.26 -0.45 -0.22 0.00 -1.00 0.00 0.00 59.36 57.95 1jee h GLU 130 Cb 0.06 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jee h GLU 130 CO -0.12 1.21 -0.90 0.87 -1.00 0.00 0.00 179.01 179.07 1jee h LYS 131 N -0.45 0.46 0.11 2.33 1.79 0.80 -2.74 116.57 118.86 1jee h LYS 131 Ca -0.12 -0.46 -0.35 0.00 -2.18 0.00 0.00 60.65 57.53 1jee h LYS 131 Cb 1.56 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.32 1jee h LYS 131 CO 0.13 1.11 -1.94 0.28 -1.08 0.00 0.00 179.45 177.95 1jee n VAL 132 N -3.78 1.75 -0.06 0.50 0.31 0.09 -4.57 118.33 112.57 1jee n VAL 132 Ca -0.07 -0.58 0.05 0.00 -0.01 0.00 0.00 64.34 63.73 1jee n VAL 132 Cb 0.81 -1.76 0.12 0.00 -0.91 0.00 0.00 33.84 32.10 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 -3.58 0.35 -1.01 3.52 3.72 -0.91 -4.94 117.46 114.60 1jee n PHE 133 Ca -0.33 -0.41 -0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1jee n PHE 133 Cb 1.01 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.44 -0.16 0.00 -1.08 1.74 -0.95 -4.55 116.66 112.09 1jee n ARG 134 Ca 0.10 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1jee n ARG 134 Cb 0.38 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.54 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 -2.68 2.27 3.67 -0.13 0.00 0.10 -4.88 105.19 103.54 1jee n GLY 135 Ca -0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1jee n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jee n ASP 136 N 1.14 3.71 0.20 1.61 4.64 -1.26 -4.83 116.55 121.76 1jee n ASP 136 Ca 0.00 0.90 0.11 0.00 -1.38 0.00 0.00 54.79 54.43 1jee n ASP 136 Cb 0.00 -1.44 0.61 0.00 -1.04 0.00 0.00 41.12 39.25 1jee n ASP 136 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jee h PRO 137 N 10.08 0.00 0.00 -0.67 0.13 -1.97 0.19 132.00 139.77 1jee h PRO 137 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jee h PRO 137 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jee h PRO 137 CO 0.95 0.00 -0.86 0.39 -0.23 0.00 0.00 178.00 178.25 1jee n GLU 138 N -2.35 0.33 -1.67 0.86 1.02 -1.26 -4.32 120.64 113.25 1jee n GLU 138 Ca -0.01 0.05 -0.46 0.00 -0.02 0.00 0.00 57.16 56.71 1jee n GLU 138 Cb 0.17 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.12 2.27 -0.24 -0.32 -0.00 0.05 -4.82 115.22 110.04 1jee n HIS 139 Ca 0.02 0.26 0.05 0.00 0.46 0.00 0.00 57.72 58.51 1jee n HIS 139 Cb 0.45 -2.55 0.17 0.00 -0.12 0.00 0.00 29.99 27.95 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 6.08 0.25 -0.61 1.57 0.11 -1.89 -1.41 132.00 136.10 1jee h PRO 140 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1jee h PRO 140 Cb 1.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1jee h PRO 140 CO 0.89 0.16 0.20 0.00 -0.21 0.00 0.00 178.00 179.04 1jee h ALA 141 N 1.60 1.21 -0.19 -0.75 0.00 -1.89 -1.67 119.26 117.57 1jee h ALA 141 Ca 0.40 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1jee h ALA 141 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jee h ALA 141 CO -0.51 0.56 -0.54 0.82 0.00 0.00 0.00 179.25 179.58 1jee h ILE 142 N 0.89 1.32 -0.50 0.00 2.04 -1.61 -1.20 117.51 118.44 1jee h ILE 142 Ca 0.20 -1.78 -0.12 0.00 1.00 0.00 0.00 64.86 64.16 1jee h ILE 142 Cb 0.24 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1jee h ILE 142 CO -0.01 0.55 -0.14 -1.28 0.00 0.00 0.00 178.15 177.27 1jee h SER 143 N 0.43 1.00 -0.04 1.72 0.87 -1.07 -2.22 113.55 114.25 1jee h SER 143 Ca 0.01 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1jee h SER 143 Cb 1.08 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1jee h SER 143 CO 0.10 1.14 0.01 0.22 -0.53 0.00 0.00 176.83 177.78 1jee h TYR 144 N 0.85 0.06 -0.92 2.24 3.20 -1.20 0.88 116.97 122.08 1jee h TYR 144 Ca 0.13 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.13 1jee h TYR 144 Cb 0.71 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 1jee h TYR 144 CO 0.05 0.20 0.59 1.25 -1.64 0.00 0.00 178.16 178.61 1jee h LEU 145 N -0.11 0.73 0.00 2.82 5.85 -1.09 0.28 115.31 123.79 1jee h LEU 145 Ca 0.01 0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.53 1jee h LEU 145 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1jee h LEU 145 CO -0.00 0.37 -1.81 0.49 -0.34 0.00 0.00 178.44 177.15 1jee n PHE 146 N -4.58 0.66 0.20 1.25 3.01 -0.85 -3.99 117.46 113.17 1jee n PHE 146 Ca 0.18 0.23 0.08 0.00 1.01 0.00 0.00 57.45 58.95 1jee n PHE 146 Cb 0.44 -1.06 -0.11 0.00 -0.01 0.00 0.00 39.48 38.74 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 -2.86 1.16 0.00 4.37 5.03 0.29 -4.78 115.26 118.47 1jee n ASN 147 Ca -0.18 -0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.03 1jee n ASN 147 Cb 0.97 1.53 0.00 0.00 -1.02 0.00 0.00 39.78 41.26 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 -1.86 0.00 -2.25 2.41 0.31 0.73 -5.03 118.33 112.64 1jee n VAL 148 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 1jee n VAL 148 Cb 0.37 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.76 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 -1.84 2.95 0.72 3.52 0.00 0.28 -5.01 121.76 122.38 1jee s ALA 149 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 1jee s ALA 149 Cb 0.00 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1jee s ALA 149 CO 0.00 -0.67 1.12 0.20 0.00 0.00 0.00 175.76 176.40 1jee s GLY 150 N -1.39 1.97 0.00 0.00 0.00 -1.26 -4.83 107.32 101.81 1jee s GLY 150 Ca 0.64 0.49 0.23 0.00 0.00 0.00 0.00 44.72 46.08 1jee s GLY 150 CO 0.34 0.84 1.65 1.22 0.00 0.00 0.00 173.10 177.16 1jee n ASP 151 N -2.96 1.35 -4.10 1.64 10.43 -0.98 -4.59 116.55 117.36 1jee n ASP 151 Ca 0.10 -1.58 -0.23 0.00 2.57 0.00 0.00 54.79 55.65 1jee n ASP 151 Cb 0.52 -0.06 -0.15 0.00 1.84 0.00 0.00 41.12 43.27 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 -1.88 1.30 -0.01 1.24 1.51 -0.49 -4.13 117.35 114.89 1jee s TYR 152 Ca 0.34 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1jee s TYR 152 Cb 0.18 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1jee s TYR 152 CO 0.28 -0.06 -0.07 0.71 -1.11 0.00 0.00 175.55 175.31 1jee s TYR 153 N -0.19 2.89 -0.37 2.71 4.12 0.10 0.11 117.35 126.71 1jee s TYR 153 Ca 0.03 -0.03 0.03 0.00 0.02 0.00 0.00 57.07 57.12 1jee s TYR 153 Cb -0.07 -1.62 0.11 0.00 -1.52 0.00 0.00 41.96 38.85 1jee s TYR 153 CO 0.00 0.36 0.10 0.08 0.02 0.00 0.00 175.55 176.11 1jee s VAL 154 N -0.96 2.12 0.50 0.71 1.01 0.08 -1.71 120.40 122.15 1jee s VAL 154 Ca 0.16 -2.41 -0.20 0.00 0.00 0.00 0.00 61.98 59.53 1jee s VAL 154 Cb -0.11 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1jee s VAL 154 CO 0.06 -0.66 1.10 -0.83 0.00 0.00 0.00 175.10 174.78 1jee s GLY 155 N 0.76 2.62 0.00 4.51 0.00 -0.72 -4.41 107.32 110.07 1jee s GLY 155 Ca 0.12 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1jee s GLY 155 CO -0.08 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.74 1jee n GLY 156 N 0.07 2.63 3.88 0.20 0.00 -0.31 -1.10 105.19 110.55 1jee n GLY 156 Ca 0.10 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 6.59 0.18 1.61 1.04 -0.81 -1.60 113.70 120.70 1jee s SER 157 Ca 0.00 0.99 0.06 0.00 0.48 0.00 0.00 55.95 57.48 1jee s SER 157 Cb 0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1jee s SER 157 CO 0.00 -0.20 0.10 -0.76 0.98 0.00 0.00 173.24 173.36 1jee s LEU 158 N -3.24 3.65 -0.13 2.42 2.01 0.42 -0.24 118.68 123.56 1jee s LEU 158 Ca 0.49 -0.23 -0.03 0.00 0.01 0.00 0.00 54.13 54.37 1jee s LEU 158 Cb -0.11 -2.26 0.05 0.00 0.01 0.00 0.00 46.19 43.88 1jee s LEU 158 CO 0.25 0.06 0.03 -1.61 1.01 0.00 0.00 176.35 176.09 1jee s GLU 159 N -3.15 0.49 0.21 1.70 2.02 -0.72 -4.92 118.70 114.34 1jee s GLU 159 Ca 0.30 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 1jee s GLU 159 Cb -0.09 -1.54 -0.08 0.00 0.10 0.00 0.00 34.13 32.51 1jee s GLU 159 CO 0.22 -0.50 1.13 0.00 0.02 0.00 0.00 175.26 176.13 1jee s ALA 160 N 1.97 3.40 -0.20 5.21 0.00 -1.26 -1.55 121.76 129.33 1jee s ALA 160 Ca 0.02 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1jee s ALA 160 Cb -0.15 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1jee s ALA 160 CO -0.07 -0.25 -0.20 -0.89 0.00 0.00 0.00 175.76 174.35 1jee n ILE 161 N 2.10 1.14 -3.63 0.00 5.41 0.66 -4.79 119.36 120.25 1jee n ILE 161 Ca 0.02 -0.39 -0.03 0.00 1.00 0.00 0.00 62.75 63.35 1jee n ILE 161 Cb 0.45 -1.37 -0.04 0.00 -0.71 0.00 0.00 39.64 37.97 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 -2.39 0.13 0.79 0.38 -2.07 -0.88 -4.98 119.66 110.63 1jee s GLN 162 Ca -0.27 0.03 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 1jee s GLN 162 Cb 0.08 0.06 0.07 0.00 -1.09 0.00 0.00 33.01 32.13 1jee s GLN 162 CO 0.43 -0.04 1.11 -0.51 -1.32 0.00 0.00 175.29 174.96 1jee s LEU 163 N -1.00 3.05 0.51 2.60 1.43 -1.26 -4.65 118.68 119.36 1jee s LEU 163 Ca 0.07 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.89 1jee s LEU 163 Cb -0.01 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 1jee s LEU 163 CO -0.07 -2.21 1.35 -2.65 0.23 0.00 0.00 176.35 173.00 1jee n PRO 164 N -3.49 1.83 -2.21 1.29 -0.02 -1.26 -4.92 135.00 126.22 1jee n PRO 164 Ca 0.10 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1jee n PRO 164 Cb 0.53 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 -2.69 4.38 -0.02 -0.52 2.00 -1.26 -5.05 119.66 116.49 1jee s GLN 165 Ca 0.68 2.06 -0.00 0.00 -2.00 0.00 0.00 55.36 56.09 1jee s GLN 165 Cb -0.44 -3.21 0.03 0.00 0.80 0.00 0.00 33.01 30.20 1jee s GLN 165 CO 0.52 -0.29 0.03 -1.01 -0.50 0.00 0.00 175.29 174.05 1jee s HIS 166 N 0.30 0.04 -1.86 1.67 3.76 -1.26 -5.03 115.29 112.92 1jee s HIS 166 Ca 0.58 0.14 0.19 0.00 -0.15 0.00 0.00 55.06 55.82 1jee s HIS 166 Cb -0.36 -0.27 0.03 0.00 1.11 0.00 0.00 32.58 33.09 1jee s HIS 166 CO 0.37 -0.10 0.98 0.66 -0.85 0.00 0.00 174.74 175.80 1jee n TYR 167 N 4.30 0.00 -4.24 1.40 4.01 -1.26 -4.80 117.16 116.56 1jee n TYR 167 Ca -0.25 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.15 1jee n TYR 167 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.00 5.35 -1.47 7.72 -4.77 -1.26 -4.61 116.67 115.63 1jee s ASP 168 Ca 0.17 0.09 -0.10 0.00 -3.30 0.00 0.00 52.55 49.41 1jee s ASP 168 Cb 0.15 -1.48 0.06 0.00 -1.09 0.00 0.00 42.92 40.56 1jee s ASP 168 CO 0.41 0.31 0.93 -1.22 0.70 0.00 0.00 175.17 176.30 1jee n TYR 169 N 1.57 -2.24 -0.31 2.11 4.01 -1.26 -4.87 117.16 116.16 1jee n TYR 169 Ca -0.15 0.90 0.14 0.00 -0.16 0.00 0.00 57.90 58.62 1jee n TYR 169 Cb 0.53 -4.13 0.32 0.00 -0.31 0.00 0.00 39.34 35.76 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 -2.07 0.43 -0.10 -0.72 0.11 -1.87 -0.87 132.00 126.91 1jee h PRO 170 Ca -0.59 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.36 1jee h PRO 170 Cb 1.37 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1jee h PRO 170 CO 0.64 0.28 -0.54 0.78 -0.21 0.00 0.00 178.00 178.95 1jee h GLY 171 N 0.44 0.32 1.82 -0.55 0.00 -1.99 -3.35 103.07 99.76 1jee h GLY 171 Ca 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1jee h GLY 171 CO -0.51 0.32 -0.17 1.41 0.00 0.00 0.00 176.54 177.59 1jee h LEU 172 N 0.22 0.00 -6.11 3.11 4.07 -1.53 -3.40 115.31 111.68 1jee h LEU 172 Ca 0.00 -0.01 -0.72 0.00 0.08 0.00 0.00 57.88 57.23 1jee h LEU 172 Cb 1.03 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 1jee h LEU 172 CO 0.09 0.00 2.81 0.54 -1.08 0.00 0.00 178.44 180.80 1jee n ARG 173 N -2.91 3.12 -2.04 1.13 1.74 -1.17 -1.42 116.66 115.12 1jee n ARG 173 Ca 0.04 -2.88 -0.41 0.00 -0.77 0.00 0.00 57.85 53.82 1jee n ARG 173 Cb 0.52 -3.16 -0.02 0.00 -1.02 0.00 0.00 32.46 28.78 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 2.26 4.28 0.53 5.56 -0.14 -1.26 -4.95 119.74 126.03 1jee s LYS 174 Ca 0.45 2.28 -0.07 0.00 -1.36 0.00 0.00 55.97 57.27 1jee s LYS 174 Cb 0.13 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 1jee s LYS 174 CO -0.06 -0.39 0.86 0.95 -0.76 0.00 0.00 175.35 175.95 1jee s THR 175 N -0.08 4.69 0.21 2.17 -4.23 -1.26 -4.77 115.64 112.38 1jee s THR 175 Ca 0.58 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 61.31 1jee s THR 175 Cb -0.41 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 69.83 1jee s THR 175 CO 0.44 -0.87 1.65 -0.65 -0.54 0.00 0.00 174.62 174.65 1jee h PRO 176 N 0.04 0.07 -0.23 3.99 0.11 -1.89 0.24 132.00 134.33 1jee h PRO 176 Ca -0.46 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1jee h PRO 176 Cb 1.21 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1jee h PRO 176 CO 0.62 0.04 0.04 0.00 -0.21 0.00 0.00 178.00 178.49 1jee h ALA 177 N 1.60 0.23 -0.67 -0.75 0.00 -1.89 -1.43 119.26 116.35 1jee h ALA 177 Ca 0.32 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1jee h ALA 177 Cb 0.52 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1jee h ALA 177 CO -0.58 -0.38 0.30 1.96 0.00 0.00 0.00 179.25 180.54 1jee h GLN 178 N 0.13 0.98 -0.03 0.00 4.20 -1.43 -2.12 115.11 116.84 1jee h GLN 178 Ca 0.10 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1jee h GLN 178 Cb 0.10 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jee h GLN 178 CO -0.14 0.80 0.02 1.25 -0.67 0.00 0.00 178.83 180.08 1jee h LEU 179 N 0.94 0.03 -0.75 1.46 6.46 -0.36 -0.00 115.31 123.09 1jee h LEU 179 Ca 0.23 -0.03 0.12 0.00 -0.12 0.00 0.00 57.88 58.08 1jee h LEU 179 Cb 0.16 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.00 1jee h LEU 179 CO -0.02 0.05 0.35 0.03 -0.62 0.00 0.00 178.44 178.23 1jee h ARG 180 N 0.01 0.54 -0.85 1.25 3.08 -1.09 0.24 114.38 117.56 1jee h ARG 180 Ca 0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jee h ARG 180 Cb 0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1jee h ARG 180 CO -0.00 0.35 0.43 -0.07 -1.07 0.00 0.00 179.97 179.61 1jee h LEU 181 N 0.55 1.09 -0.12 3.04 3.38 -0.96 -0.38 115.31 121.92 1jee h LEU 181 Ca 0.39 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1jee h LEU 181 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jee h LEU 181 CO -0.33 0.91 -0.02 -0.33 0.09 0.00 0.00 178.44 178.75 1jee h GLU 182 N 1.20 0.01 -0.59 1.13 4.39 0.13 0.00 114.58 120.86 1jee h GLU 182 Ca 0.29 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1jee h GLU 182 Cb 0.09 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1jee h GLU 182 CO -0.04 0.01 0.16 0.74 -1.16 0.00 0.00 179.01 178.71 1jee h PHE 183 N 0.01 0.94 0.29 4.33 0.04 -0.59 -2.98 116.94 118.98 1jee h PHE 183 Ca 0.06 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1jee h PHE 183 Cb 0.08 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1jee h PHE 183 CO -0.16 0.77 -0.14 1.96 -0.60 0.00 0.00 178.31 180.15 1jee h GLN 184 N 0.88 -0.38 -0.82 1.51 4.20 -0.60 0.45 115.11 120.35 1jee h GLN 184 Ca 0.19 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.17 1jee h GLN 184 Cb 0.30 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1jee h GLN 184 CO -0.00 -0.06 0.78 0.66 -0.67 0.00 0.00 178.83 179.54 1jee h SER 185 N -0.72 0.00 0.20 1.46 4.64 -0.97 1.65 113.55 119.80 1jee h SER 185 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jee h SER 185 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1jee h SER 185 CO 0.07 0.00 -0.70 0.54 -0.87 0.00 0.00 176.83 175.87 1jee n ARG 186 N -3.72 0.21 -3.24 4.77 1.74 -0.99 -4.97 116.66 110.45 1jee n ARG 186 Ca 0.17 -0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 1jee n ARG 186 Cb 1.06 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.26 -5.58 -3.34 5.56 6.02 0.56 -4.98 117.38 114.36 1jee n GLN 187 Ca 0.06 0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 57.22 1jee n GLN 187 Cb 0.35 -4.93 -0.09 0.00 1.02 0.00 0.00 30.24 26.59 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 -3.23 3.18 -1.11 1.08 0.52 0.14 -4.87 118.94 114.64 1jee s TRP 188 Ca 0.35 -0.37 0.11 0.00 0.02 0.00 0.00 56.10 56.21 1jee s TRP 188 Cb -0.15 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.35 1jee s TRP 188 CO 0.52 -0.67 0.72 -0.40 0.02 0.00 0.00 176.95 177.15 1jee n ASP 189 N 5.54 1.50 -3.77 2.95 3.85 -1.26 -4.48 116.55 120.88 1jee n ASP 189 Ca -0.08 -1.25 -0.25 0.00 -0.71 0.00 0.00 54.79 52.50 1jee n ASP 189 Cb 0.47 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 -1.20 0.70 -0.04 0.11 0.52 -1.26 -4.89 118.95 112.89 1jee s ARG 190 Ca 0.10 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1jee s ARG 190 Cb 0.09 -1.48 0.03 0.00 0.52 0.00 0.00 34.95 34.10 1jee s ARG 190 CO 0.21 -0.44 0.06 0.08 0.02 0.00 0.00 175.30 175.23 1jee s VAL 191 N 1.91 -0.11 -0.29 3.52 1.01 -1.26 -1.06 120.40 124.12 1jee s VAL 191 Ca 0.03 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1jee s VAL 191 Cb -0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1jee s VAL 191 CO -0.07 0.17 0.19 0.54 0.00 0.00 0.00 175.10 175.93 1jee s VAL 192 N 2.07 5.16 0.15 2.92 0.11 0.78 -1.27 120.40 130.32 1jee s VAL 192 Ca 0.04 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 58.89 1jee s VAL 192 Cb -0.12 -3.50 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1jee s VAL 192 CO -0.03 0.20 0.69 0.00 -3.33 0.00 0.00 175.10 172.63 1jee s ALA 193 N 1.73 3.49 -0.25 1.54 0.00 0.89 -1.89 121.76 127.26 1jee s ALA 193 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1jee s ALA 193 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1jee s ALA 193 CO 0.10 0.34 -0.09 0.12 0.00 0.00 0.00 175.76 176.23 1jee s PHE 194 N -1.23 3.15 0.52 0.00 5.36 -0.43 -1.89 117.98 123.47 1jee s PHE 194 Ca 0.35 -1.95 -0.17 0.00 -0.96 0.00 0.00 56.93 54.20 1jee s PHE 194 Cb -0.20 -2.00 -0.07 0.00 -0.34 0.00 0.00 43.02 40.41 1jee s PHE 194 CO 0.23 -0.82 1.00 -1.14 -1.46 0.00 0.00 175.22 173.03 1jee s GLN 195 N 1.21 3.84 -0.23 10.12 2.00 -1.26 -1.91 119.66 133.43 1jee s GLN 195 Ca -0.04 1.02 -0.31 0.00 -2.00 0.00 0.00 55.36 54.02 1jee s GLN 195 Cb -0.18 -2.12 0.16 0.00 0.80 0.00 0.00 33.01 31.67 1jee s GLN 195 CO -0.05 -0.36 1.24 -0.08 -0.50 0.00 0.00 175.29 175.53 1jee s THR 196 N -2.56 0.00 0.00 -0.34 -1.32 -1.26 -4.95 115.64 105.21 1jee s THR 196 Ca 0.60 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1jee s THR 196 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1jee s THR 196 CO 0.31 0.00 0.39 -2.11 -2.21 0.00 0.00 174.62 171.01 1jee n ARG 197 N 0.38 0.29 -4.51 7.08 1.85 -1.26 -1.52 116.66 118.97 1jee n ARG 197 Ca -0.02 -0.46 -0.24 0.00 -1.00 0.00 0.00 57.85 56.13 1jee n ARG 197 Cb 0.58 -0.62 -0.11 0.00 -1.05 0.00 0.00 32.46 31.27 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 -0.13 3.28 0.49 2.89 0.02 -1.26 -4.67 114.94 115.57 1jee s ASN 198 Ca 0.00 -1.25 -0.21 0.00 -1.02 0.00 0.00 52.86 50.38 1jee s ASN 198 Cb 0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 41.25 40.93 1jee s ASN 198 CO 0.00 -0.34 1.13 -2.16 0.02 0.00 0.00 177.10 175.75 1jee s PRO 199 N -3.70 3.63 0.01 -0.60 0.04 -1.26 -4.98 135.00 128.14 1jee s PRO 199 Ca 0.32 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1jee s PRO 199 Cb 0.05 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1jee s PRO 199 CO 0.15 -0.63 0.62 -1.64 0.04 0.00 0.00 177.00 175.55 1jee s MET 200 N -2.98 4.34 0.23 4.56 -1.94 -1.26 -5.06 119.30 117.19 1jee s MET 200 Ca 0.67 0.79 0.01 0.00 -1.71 0.00 0.00 55.69 55.45 1jee s MET 200 Cb -0.25 -3.34 0.01 0.00 2.01 0.00 0.00 34.83 33.26 1jee s MET 200 CO 0.29 0.37 0.08 0.72 -0.01 0.00 0.00 175.02 176.47 1jee n HIS 201 N 2.68 -0.22 -0.31 -0.03 8.25 -1.26 -4.92 115.22 119.41 1jee n HIS 201 Ca -0.06 -1.06 0.07 0.00 -0.26 0.00 0.00 57.72 56.41 1jee n HIS 201 Cb 0.51 -0.17 0.22 0.00 1.12 0.00 0.00 29.99 31.67 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 0.70 -0.23 -0.41 2.47 -1.68 -2.07 114.38 113.17 1jee h ARG 202 Ca -0.17 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.55 1jee h ARG 202 Cb 0.56 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1jee h ARG 202 CO 0.28 0.47 -0.06 0.00 0.56 0.00 0.00 179.97 181.21 1jee h ALA 203 N 1.54 0.16 -0.78 0.04 0.00 -1.89 -1.42 119.26 116.91 1jee h ALA 203 Ca 0.47 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1jee h ALA 203 Cb 0.60 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1jee h ALA 203 CO -0.33 -0.47 0.40 0.45 0.00 0.00 0.00 179.25 179.30 1jee h HIS 204 N 0.00 1.10 -0.40 0.00 3.86 -1.79 0.26 115.15 118.18 1jee h HIS 204 Ca 0.11 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1jee h HIS 204 Cb 0.17 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1jee h HIS 204 CO -0.24 0.79 0.24 -0.09 0.86 0.00 0.00 177.93 179.49 1jee h ARG 205 N 1.09 0.46 -0.50 2.45 1.12 -0.87 0.26 114.38 118.39 1jee h ARG 205 Ca 0.27 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.08 1jee h ARG 205 Cb 0.08 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 1jee h ARG 205 CO -0.04 0.31 0.17 0.93 -3.11 0.00 0.00 179.97 178.23 1jee h GLU 206 N 0.48 0.76 -0.14 0.20 3.07 -0.85 -1.34 114.58 116.76 1jee h GLU 206 Ca 0.16 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1jee h GLU 206 Cb 0.01 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 1jee h GLU 206 CO -0.08 0.70 -0.09 1.25 -1.40 0.00 0.00 179.01 179.40 1jee h LEU 207 N 0.67 -0.28 -0.89 1.33 6.46 0.22 0.21 115.31 123.03 1jee h LEU 207 Ca 0.16 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1jee h LEU 207 Cb 0.24 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1jee h LEU 207 CO -0.01 -0.12 -0.21 0.71 -0.62 0.00 0.00 178.44 178.19 1jee h THR 208 N -0.08 1.26 -0.29 1.05 1.35 -0.32 -2.19 112.91 113.69 1jee h THR 208 Ca 0.08 -1.24 -0.15 0.00 -0.55 0.00 0.00 66.41 64.56 1jee h THR 208 Cb 0.21 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1jee h THR 208 CO -0.20 0.40 -0.41 0.58 -0.25 0.00 0.00 175.52 175.65 1jee h VAL 209 N 0.51 1.29 -0.34 6.82 2.07 -0.89 -0.39 116.25 125.32 1jee h VAL 209 Ca 0.08 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.04 1jee h VAL 209 Cb 0.65 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1jee h VAL 209 CO 0.05 0.51 0.11 0.03 0.02 0.00 0.00 177.57 178.29 1jee h ARG 210 N 0.54 0.24 -0.68 1.57 3.08 -0.89 0.17 114.38 118.40 1jee h ARG 210 Ca 0.03 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1jee h ARG 210 Cb 1.00 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 1jee h ARG 210 CO 0.09 0.16 0.40 0.00 -1.07 0.00 0.00 179.97 179.55 1jee h ALA 211 N 1.23 0.90 -1.00 0.04 0.00 -1.23 0.53 119.26 119.73 1jee h ALA 211 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jee h ALA 211 Cb 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1jee h ALA 211 CO -0.17 0.10 0.65 0.00 0.00 0.00 0.00 179.25 179.84 1jee h ALA 212 N 1.33 1.35 -0.07 0.00 0.00 0.28 0.30 119.26 122.44 1jee h ALA 212 Ca 0.29 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1jee h ALA 212 Cb 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jee h ALA 212 CO -0.16 0.56 -0.33 -0.09 0.00 0.00 0.00 179.25 179.23 1jee h ARG 213 N 1.27 0.35 -0.12 0.00 2.43 0.80 -0.43 114.38 118.68 1jee h ARG 213 Ca 0.40 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jee h ARG 213 Cb -0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1jee h ARG 213 CO -0.12 0.92 0.08 0.93 -1.51 0.00 0.00 179.97 180.27 1jee h GLU 214 N -0.14 0.16 -0.00 0.20 4.39 0.28 -2.86 114.58 116.61 1jee h GLU 214 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1jee h GLU 214 Cb 0.98 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1jee h GLU 214 CO 0.07 0.13 -0.09 0.00 -1.16 0.00 0.00 179.01 177.96 1jee n ALA 215 N -2.14 2.57 -3.61 3.43 0.00 0.07 -4.92 120.51 115.91 1jee n ALA 215 Ca -0.05 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1jee n ALA 215 Cb 0.04 -1.41 0.06 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 -1.44 -3.25 -4.13 0.00 3.02 -0.27 -4.98 115.26 104.21 1jee n ASN 216 Ca 0.08 -0.68 -0.09 0.00 -0.03 0.00 0.00 54.58 53.86 1jee n ASN 216 Cb 0.32 -4.64 -0.10 0.00 -0.61 0.00 0.00 39.78 34.76 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 -3.42 0.77 0.70 5.41 0.00 -0.62 -4.89 121.76 119.70 1jee s ALA 217 Ca 0.24 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1jee s ALA 217 Cb -0.11 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1jee s ALA 217 CO 0.77 -0.33 1.06 0.15 0.00 0.00 0.00 175.76 177.41 1jee s LYS 218 N -3.90 2.94 -0.19 0.00 -0.14 -0.22 -4.55 119.74 113.68 1jee s LYS 218 Ca 0.11 0.87 -0.10 0.00 -1.36 0.00 0.00 55.97 55.50 1jee s LYS 218 Cb 0.07 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1jee s LYS 218 CO -0.06 -1.08 0.15 0.08 -0.76 0.00 0.00 175.35 173.68 1jee s VAL 219 N -3.09 5.41 -0.33 3.17 1.01 0.24 -0.15 120.40 126.66 1jee s VAL 219 Ca 0.58 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1jee s VAL 219 Cb -0.14 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1jee s VAL 219 CO 0.55 0.45 0.03 -0.22 0.00 0.00 0.00 175.10 175.91 1jee s LEU 220 N 0.25 4.37 -0.50 3.92 2.96 -0.79 -0.62 118.68 128.26 1jee s LEU 220 Ca 0.09 -1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 51.97 1jee s LEU 220 Cb -0.11 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1jee s LEU 220 CO -0.01 -0.34 1.19 -0.63 -1.32 0.00 0.00 176.35 175.24 1jee s ILE 221 N 1.08 4.11 -0.70 6.68 -1.09 -0.07 -1.31 121.20 129.90 1jee s ILE 221 Ca 0.02 1.10 0.04 0.00 -2.23 0.00 0.00 60.65 59.58 1jee s ILE 221 Cb -0.20 -4.59 0.29 0.00 -1.58 0.00 0.00 42.46 36.37 1jee s ILE 221 CO -0.05 -1.08 0.97 1.57 -1.23 0.00 0.00 174.94 175.12 1jee n HIS 222 N 8.16 3.55 -2.20 3.97 -0.00 -0.80 -1.95 115.22 125.94 1jee n HIS 222 Ca 0.12 -3.82 -0.36 0.00 0.46 0.00 0.00 57.72 54.12 1jee n HIS 222 Cb 0.49 -0.67 0.01 0.00 -0.12 0.00 0.00 29.99 29.70 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 -2.93 3.34 -0.11 1.57 0.04 -1.23 -4.34 135.00 131.35 1jee s PRO 223 Ca 0.41 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 1jee s PRO 223 Cb 0.18 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1jee s PRO 223 CO -0.04 -0.88 0.82 0.08 0.04 0.00 0.00 177.00 177.02 1jee s VAL 224 N -1.68 4.92 -0.08 -0.36 1.01 -0.57 -0.92 120.40 122.73 1jee s VAL 224 Ca 0.72 1.66 0.12 0.00 0.00 0.00 0.00 61.98 64.48 1jee s VAL 224 Cb -0.26 -4.15 0.18 0.00 0.00 0.00 0.00 36.38 32.15 1jee s VAL 224 CO 0.30 0.11 1.08 1.33 0.00 0.00 0.00 175.10 177.92 1jee n VAL 225 N 4.31 1.21 0.00 2.92 0.24 -0.44 -4.83 118.33 121.73 1jee n VAL 225 Ca 0.03 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1jee n VAL 225 Cb 0.50 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.91 -0.45 3.63 7.63 0.00 -1.13 -4.87 105.19 109.10 1jee n GLY 226 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.36 -0.96 0.00 0.99 0.20 -0.59 -4.88 118.68 109.07 1jee s LEU 227 Ca 0.00 1.45 0.00 0.00 0.69 0.00 0.00 54.13 56.27 1jee s LEU 227 Cb 0.00 2.28 0.00 0.00 -0.43 0.00 0.00 46.19 48.04 1jee s LEU 227 CO 0.00 -0.22 0.00 0.35 -0.29 0.00 0.00 176.35 176.19 1jee n THR 228 N 4.67 0.00 -2.32 3.68 -2.24 -1.26 -0.51 114.28 116.30 1jee n THR 228 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1jee n THR 228 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.81 4.45 0.28 -0.78 2.20 -1.26 -4.91 119.74 121.53 1jee s LYS 229 Ca 0.00 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.24 1jee s LYS 229 Cb 0.00 -3.24 -0.13 0.00 -1.51 0.00 0.00 37.83 32.96 1jee s LYS 229 CO 0.00 -0.17 1.40 -2.30 -0.36 0.00 0.00 175.35 173.93 1jee n PRO 230 N 2.74 2.19 -0.55 4.03 -0.02 -1.26 -1.38 135.00 140.76 1jee n PRO 230 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1jee n PRO 230 Cb 0.44 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.68 0.75 3.76 -1.23 0.00 -1.26 -5.05 105.19 103.85 1jee n GLY 231 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.59 3.89 0.30 1.61 1.01 -0.48 -4.98 116.67 115.42 1jee s ASP 232 Ca 0.00 1.31 -0.29 0.00 0.71 0.00 0.00 52.55 54.28 1jee s ASP 232 Cb 0.00 -2.00 -0.10 0.00 1.01 0.00 0.00 42.92 41.83 1jee s ASP 232 CO 0.00 -2.35 1.20 -0.63 0.21 0.00 0.00 175.17 173.60 1jee s ILE 233 N -3.09 3.11 0.77 0.77 -1.09 -1.26 -4.96 121.20 115.45 1jee s ILE 233 Ca 0.62 1.12 -0.15 0.00 -2.23 0.00 0.00 60.65 60.01 1jee s ILE 233 Cb -0.16 -3.71 0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1jee s ILE 233 CO 0.55 0.26 1.17 -0.90 -1.23 0.00 0.00 174.94 174.79 1jee n ASP 234 N 1.04 1.09 0.21 3.58 5.75 -1.26 -4.80 116.55 122.16 1jee n ASP 234 Ca -0.00 0.64 0.06 0.00 -0.01 0.00 0.00 54.79 55.48 1jee n ASP 234 Cb 0.43 -1.50 0.48 0.00 -1.03 0.00 0.00 41.12 39.50 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 -0.53 0.00 -0.21 2.11 2.07 -1.92 -2.37 115.15 114.30 1jee h HIS 235 Ca -0.47 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.07 1jee h HIS 235 Cb 1.31 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.27 1jee h HIS 235 CO 0.44 0.27 0.08 0.45 -3.07 0.00 0.00 177.93 176.11 1jee h HIS 236 N 0.00 0.15 -0.07 6.12 3.86 -1.98 0.68 115.15 123.92 1jee h HIS 236 Ca -0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jee h HIS 236 Cb 0.56 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1jee h HIS 236 CO 0.00 0.08 0.02 1.15 0.86 0.00 0.00 177.93 180.04 1jee h THR 237 N 0.19 1.17 -0.78 2.45 2.02 -1.89 -1.81 112.91 114.25 1jee h THR 237 Ca 0.09 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.80 1jee h THR 237 Cb 0.05 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1jee h THR 237 CO -0.08 0.15 0.48 0.03 0.37 0.00 0.00 175.52 176.46 1jee h ARG 238 N -0.08 0.87 -0.51 6.66 3.08 -1.03 0.46 114.38 123.83 1jee h ARG 238 Ca 0.02 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1jee h ARG 238 Cb 0.21 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1jee h ARG 238 CO -0.00 0.58 0.27 0.28 -1.07 0.00 0.00 179.97 180.03 1jee h VAL 239 N 0.90 0.99 -0.80 2.04 2.07 0.58 0.30 116.25 122.33 1jee h VAL 239 Ca 0.33 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1jee h VAL 239 Cb 0.12 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1jee h VAL 239 CO -0.15 0.10 0.52 0.03 0.02 0.00 0.00 177.57 178.09 1jee h ARG 240 N 0.54 1.03 -0.25 1.57 3.08 -0.41 0.15 114.38 120.09 1jee h ARG 240 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1jee h ARG 240 Cb 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1jee h ARG 240 CO -0.13 0.68 0.15 0.28 -1.07 0.00 0.00 179.97 179.87 1jee h VAL 241 N 1.06 1.10 -0.26 2.04 2.07 0.18 -1.59 116.25 120.85 1jee h VAL 241 Ca 0.30 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1jee h VAL 241 Cb -0.10 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1jee h VAL 241 CO -0.07 0.10 0.12 1.88 0.02 0.00 0.00 177.57 179.62 1jee h TYR 242 N 0.31 0.38 -0.53 1.57 0.99 0.30 0.71 116.97 120.69 1jee h TYR 242 Ca 0.09 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.87 1jee h TYR 242 Cb 0.03 -0.12 -0.03 0.00 1.00 0.00 0.00 36.73 37.62 1jee h TYR 242 CO -0.04 0.36 0.36 1.96 -0.00 0.00 0.00 178.16 180.79 1jee h GLN 243 N 0.29 0.42 -0.01 4.88 4.20 -0.62 0.11 115.11 124.37 1jee h GLN 243 Ca 0.09 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1jee h GLN 243 Cb 0.12 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1jee h GLN 243 CO -0.01 0.28 -0.15 1.49 -0.67 0.00 0.00 178.83 179.76 1jee h GLU 244 N 0.43 0.12 0.00 1.46 4.57 -0.37 -3.30 114.58 117.49 1jee h GLU 244 Ca 0.24 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1jee h GLU 244 Cb 0.38 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1jee h GLU 244 CO -0.06 0.85 -0.30 0.97 -1.18 0.00 0.00 179.01 179.28 1jee h ILE 245 N -0.57 0.91 -0.07 2.32 2.10 -0.57 -2.84 117.51 118.79 1jee h ILE 245 Ca -0.02 -1.18 0.02 0.00 1.08 0.00 0.00 64.86 64.77 1jee h ILE 245 Cb 0.90 1.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1jee h ILE 245 CO 0.03 0.30 0.08 -0.29 -1.08 0.00 0.00 178.15 177.19 1jee h ILE 246 N 0.00 0.55 0.00 2.19 6.09 -1.05 0.14 117.51 125.43 1jee h ILE 246 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1jee h ILE 246 Cb 0.67 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1jee h ILE 246 CO 0.04 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.41 1jee n LYS 247 N -3.91 0.10 -0.21 2.19 5.02 -1.07 -2.35 118.16 117.94 1jee n LYS 247 Ca -0.01 0.32 0.08 0.00 -2.02 0.00 0.00 58.31 56.68 1jee n LYS 247 Cb 0.18 -1.68 0.23 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.87 2.04 -3.80 1.97 5.12 0.04 -4.84 116.66 115.32 1jee n ARG 248 Ca 0.03 -1.61 -0.29 0.00 -1.93 0.00 0.00 57.85 54.05 1jee n ARG 248 Cb 0.21 -1.37 -0.04 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 -1.45 3.49 0.51 -1.55 1.51 -0.99 -5.05 117.35 113.81 1jee s TYR 249 Ca 0.31 0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 56.47 1jee s TYR 249 Cb 0.17 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 40.13 1jee s TYR 249 CO 0.22 0.47 1.28 -1.25 -1.11 0.00 0.00 175.55 175.17 1jee s PRO 250 N -2.95 3.42 -0.17 -1.71 0.04 -1.26 -4.84 135.00 127.53 1jee s PRO 250 Ca 0.37 2.06 -0.40 0.00 0.04 0.00 0.00 61.00 63.07 1jee s PRO 250 Cb -0.12 -2.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.91 1jee s PRO 250 CO 0.28 -0.91 1.51 0.09 0.04 0.00 0.00 177.00 178.00 1jee n ASN 251 N -0.76 1.62 -0.44 6.66 4.13 -1.26 -1.93 115.26 123.29 1jee n ASN 251 Ca 0.09 1.12 -0.05 0.00 1.68 0.00 0.00 54.58 57.42 1jee n ASN 251 Cb 0.46 -1.08 -0.02 0.00 -1.54 0.00 0.00 39.78 37.60 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 3.29 0.67 0.04 7.41 0.00 -1.26 -4.93 105.19 110.42 1jee n GLY 252 Ca 0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.06 0.55 -4.32 -0.61 3.06 -0.81 -5.01 119.36 109.17 1jee n ILE 253 Ca -0.05 -0.54 -0.23 0.00 -2.50 0.00 0.00 62.75 59.43 1jee n ILE 253 Cb 0.24 -0.24 -0.12 0.00 0.54 0.00 0.00 39.64 40.07 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 -2.79 1.94 0.00 1.51 0.00 -1.26 -0.59 121.76 120.57 1jee s ALA 254 Ca -0.07 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.53 1jee s ALA 254 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1jee s ALA 254 CO 0.69 0.29 -0.11 0.12 0.00 0.00 0.00 175.76 176.74 1jee s PHE 255 N -1.70 1.00 -0.12 0.00 5.36 0.21 -4.96 117.98 117.77 1jee s PHE 255 Ca 0.12 -0.23 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1jee s PHE 255 Cb -0.07 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.96 1jee s PHE 255 CO 0.06 -0.01 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.54 1jee s LEU 256 N -0.50 2.95 -0.09 6.12 2.96 -1.26 -0.89 118.68 127.96 1jee s LEU 256 Ca 0.03 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1jee s LEU 256 Cb -0.05 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1jee s LEU 256 CO -0.00 0.22 0.20 -0.55 -1.32 0.00 0.00 176.35 174.89 1jee s SER 257 N 0.06 -0.17 0.02 3.68 0.15 -0.82 -4.97 113.70 111.64 1jee s SER 257 Ca -0.03 0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.76 1jee s SER 257 Cb -0.14 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1jee s SER 257 CO 0.04 -0.16 0.86 -0.76 1.20 0.00 0.00 173.24 174.41 1jee s LEU 258 N 1.25 4.40 -0.30 3.45 1.43 -0.50 -3.51 118.68 124.91 1jee s LEU 258 Ca -0.09 1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1jee s LEU 258 Cb -0.11 -3.37 0.02 0.00 0.03 0.00 0.00 46.19 42.75 1jee s LEU 258 CO -0.07 -0.12 0.06 -0.22 0.23 0.00 0.00 176.35 176.23 1jee s LEU 259 N 0.48 3.85 0.00 1.79 2.96 -0.09 -4.05 118.68 123.62 1jee s LEU 259 Ca 0.44 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1jee s LEU 259 Cb -0.21 -1.84 -0.25 0.00 0.50 0.00 0.00 46.19 44.39 1jee s LEU 259 CO 0.25 -0.21 3.50 -0.81 -1.32 0.00 0.00 176.35 177.75 1jee n PRO 260 N 4.82 1.92 -3.20 0.98 -0.04 -1.26 -1.33 135.00 136.88 1jee n PRO 260 Ca -0.14 -0.94 -0.33 0.00 -0.04 0.00 0.00 63.50 62.04 1jee n PRO 260 Cb 0.47 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 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 4.13 -0.51 1.53 2.96 -1.26 -4.60 118.68 120.93 1jee s LEU 261 Ca 0.63 1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 55.70 1jee s LEU 261 Cb 0.30 -3.91 0.13 0.00 0.50 0.00 0.00 46.19 43.22 1jee s LEU 261 CO 0.00 -0.14 0.35 0.00 -1.32 0.00 0.00 176.35 175.24 1jee s ALA 262 N -1.87 3.40 0.86 5.97 0.00 -1.26 -1.54 121.76 127.32 1jee s ALA 262 Ca 0.51 -2.77 -0.11 0.00 0.00 0.00 0.00 51.96 49.59 1jee s ALA 262 Cb -0.11 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.44 1jee s ALA 262 CO 0.19 -1.94 1.14 -1.64 0.00 0.00 0.00 175.76 173.51 1jee s MET 263 N 0.86 1.39 0.00 0.00 1.00 0.34 -4.91 119.30 117.98 1jee s MET 263 Ca 0.10 1.50 0.04 0.00 0.00 0.00 0.00 55.69 57.33 1jee s MET 263 Cb -0.23 -1.77 0.02 0.00 0.00 0.00 0.00 34.83 32.85 1jee s MET 263 CO -0.03 -2.35 0.53 0.54 0.00 0.00 0.00 175.02 173.71 1jee n ARG 264 N -3.92 0.91 -3.82 2.03 3.00 -1.26 -4.79 116.66 108.80 1jee n ARG 264 Ca 0.11 -0.59 -0.28 0.00 -0.01 0.00 0.00 57.85 57.08 1jee n ARG 264 Cb 0.52 -0.99 0.04 0.00 0.00 0.00 0.00 32.46 32.03 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 -0.05 -6.17 -1.59 5.56 2.81 -1.26 -3.71 117.12 112.70 1jee n MET 265 Ca 0.02 0.66 -0.34 0.00 -1.81 0.00 0.00 57.70 56.23 1jee n MET 265 Cb 0.09 -5.59 0.03 0.00 -0.71 0.00 0.00 33.22 27.05 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 -2.89 7.28 0.00 7.83 2.88 -1.15 -4.28 113.62 123.29 1jee n SER 266 Ca 0.02 -3.63 0.00 0.00 -1.33 0.00 0.00 58.87 53.93 1jee n SER 266 Cb 0.54 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 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 -0.28 0.58 0.24 0.46 0.00 0.21 -1.46 105.19 104.95 1jee n GLY 267 Ca 0.53 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.64 -0.69 1.61 2.03 -1.87 -0.15 116.42 116.72 1jee h ASP 268 Ca 0.00 0.15 0.03 0.00 -0.73 0.00 0.00 57.03 56.49 1jee h ASP 268 Cb 0.00 0.35 -0.05 0.00 -0.83 0.00 0.00 39.33 38.81 1jee h ASP 268 CO 0.00 -0.22 0.42 0.03 -1.03 0.00 0.00 179.24 178.45 1jee h ARG 269 N -0.10 0.80 -0.86 4.15 3.08 -1.80 -1.45 114.38 118.20 1jee h ARG 269 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1jee h ARG 269 Cb 0.42 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1jee h ARG 269 CO -0.49 0.53 0.44 1.49 -1.07 0.00 0.00 179.97 180.87 1jee h GLU 270 N 0.82 1.21 -0.68 0.04 4.81 -0.45 -1.36 114.58 118.97 1jee h GLU 270 Ca 0.28 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.46 1jee h GLU 270 Cb 0.05 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.12 1jee h GLU 270 CO -0.12 0.91 0.28 0.00 -0.73 0.00 0.00 179.01 179.35 1jee h ALA 271 N 1.24 0.92 -0.26 2.92 0.00 0.01 0.83 119.26 124.92 1jee h ALA 271 Ca 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1jee h ALA 271 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jee h ALA 271 CO -0.04 -0.17 0.13 0.28 0.00 0.00 0.00 179.25 179.45 1jee h VAL 272 N 0.46 1.14 -0.60 0.00 2.07 -0.89 -0.85 116.25 117.58 1jee h VAL 272 Ca 0.35 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1jee h VAL 272 Cb 0.46 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1jee h VAL 272 CO -0.33 0.14 0.37 -0.25 0.02 0.00 0.00 177.57 177.52 1jee h TRP 273 N 0.29 0.69 -0.62 1.57 7.01 -0.07 -1.58 115.95 123.25 1jee h TRP 273 Ca 0.09 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1jee h TRP 273 Cb 0.11 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1jee h TRP 273 CO -0.02 0.40 0.41 0.45 -2.79 0.00 0.00 178.44 176.88 1jee h HIS 274 N 0.73 0.78 -0.75 2.65 3.86 0.11 0.40 115.15 122.93 1jee h HIS 274 Ca 0.24 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1jee h HIS 274 Cb 0.01 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1jee h HIS 274 CO -0.05 0.49 0.28 0.00 0.86 0.00 0.00 177.93 179.51 1jee h ALA 275 N 1.22 1.07 -0.47 2.45 0.00 -0.77 0.11 119.26 122.88 1jee h ALA 275 Ca 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jee h ALA 275 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1jee h ALA 275 CO -0.05 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.73 1jee h ILE 276 N 1.10 1.25 -0.37 0.00 2.04 -0.65 -1.63 117.51 119.24 1jee h ILE 276 Ca 0.25 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1jee h ILE 276 Cb 0.24 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1jee h ILE 276 CO -0.02 0.33 0.17 0.40 0.00 0.00 0.00 178.15 179.04 1jee h ILE 277 N 0.66 1.17 -0.16 -0.67 2.04 -0.33 -2.16 117.51 118.06 1jee h ILE 277 Ca 0.14 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1jee h ILE 277 Cb 0.42 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jee h ILE 277 CO 0.01 0.19 -0.30 0.03 0.00 0.00 0.00 178.15 178.07 1jee h ARG 278 N 0.46 0.31 -0.11 2.37 -0.00 -0.70 -2.15 114.38 114.56 1jee h ARG 278 Ca 0.13 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1jee h ARG 278 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 1jee h ARG 278 CO -0.02 0.59 0.06 -0.22 0.00 0.00 0.00 179.97 180.38 1jee h LYS 279 N 0.28 0.15 -0.93 0.04 3.64 -1.02 -1.94 116.57 116.78 1jee h LYS 279 Ca 0.04 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1jee h LYS 279 Cb 0.68 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 1jee h LYS 279 CO 0.05 0.18 0.60 -0.91 -2.27 0.00 0.00 179.45 177.10 1jee h ASN 280 N 0.08 0.80 0.00 4.20 2.35 -1.01 -1.30 115.58 120.70 1jee h ASN 280 Ca 0.04 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1jee h ASN 280 Cb 0.07 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1jee h ASN 280 CO -0.01 0.43 0.00 -1.22 -1.65 0.00 0.00 177.43 174.98 1jee n TYR 281 N -4.57 0.00 0.00 1.19 4.01 -0.80 -4.86 117.16 112.13 1jee n TYR 281 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1jee n TYR 281 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.40 0.42 3.80 2.72 0.00 -0.49 -4.28 105.19 107.76 1jee n GLY 282 Ca 0.11 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 -2.00 2.86 -0.34 4.61 0.00 -0.81 -4.63 121.76 121.46 1jee s ALA 283 Ca 0.00 0.54 0.12 0.00 0.00 0.00 0.00 51.96 52.62 1jee s ALA 283 Cb 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.73 1jee s ALA 283 CO 0.00 -0.38 0.40 -1.13 0.00 0.00 0.00 175.76 174.65 1jee n SER 284 N -1.17 1.23 -3.89 0.00 3.41 -0.40 -4.28 113.62 108.51 1jee n SER 284 Ca 0.09 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 58.13 1jee n SER 284 Cb 0.53 1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.40 0.07 -0.04 7.33 3.76 -0.81 -1.95 115.29 121.25 1jee s HIS 285 Ca 0.01 -0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1jee s HIS 285 Cb 0.08 -0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.73 1jee s HIS 285 CO 0.49 -0.19 0.01 0.12 -0.85 0.00 0.00 174.74 174.32 1jee s PHE 286 N -1.01 0.33 0.38 1.40 5.36 0.12 -0.08 117.98 124.48 1jee s PHE 286 Ca -0.11 0.02 -0.25 0.00 -0.96 0.00 0.00 56.93 55.63 1jee s PHE 286 Cb -0.06 -0.49 -0.09 0.00 -0.34 0.00 0.00 43.02 42.03 1jee s PHE 286 CO 0.00 -0.18 1.06 0.42 -1.46 0.00 0.00 175.22 175.07 1jee s ILE 287 N 1.41 3.66 -0.28 3.12 1.01 -0.79 -1.19 121.20 128.13 1jee s ILE 287 Ca -0.04 1.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.92 1jee s ILE 287 Cb -0.13 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.72 1jee s ILE 287 CO -0.03 0.08 0.20 -0.69 0.00 0.00 0.00 174.94 174.51 1jee s VAL 288 N -1.56 -0.23 0.00 2.92 1.01 -0.57 -4.77 120.40 117.21 1jee s VAL 288 Ca 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1jee s VAL 288 Cb -0.24 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1jee s VAL 288 CO 0.30 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1jee n GLY 289 N 5.28 1.33 3.74 4.51 0.00 -1.26 -1.56 105.19 117.23 1jee n GLY 289 Ca -0.04 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 2.20 4.60 -1.43 1.61 3.52 -1.23 -3.89 118.95 124.33 1jee s ARG 290 Ca 0.00 1.67 -0.03 0.00 -0.13 0.00 0.00 55.73 57.25 1jee s ARG 290 Cb 0.00 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1jee s ARG 290 CO 0.00 0.08 0.32 -3.47 -0.81 0.00 0.00 175.30 171.43 1jee n ASP 291 N 2.52 -0.36 -4.70 -2.12 4.64 0.18 -4.85 116.55 111.85 1jee n ASP 291 Ca 0.03 -1.10 -0.42 0.00 -1.38 0.00 0.00 54.79 51.92 1jee n ASP 291 Cb 0.47 -2.58 -0.03 0.00 -1.04 0.00 0.00 41.12 37.94 1jee n ASP 291 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1jee s HIS 292 N -4.04 2.39 -2.13 -0.67 5.65 -1.25 -1.78 115.29 113.45 1jee s HIS 292 Ca 0.05 0.17 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1jee s HIS 292 Cb -0.02 -4.09 0.00 0.00 -1.18 0.00 0.00 32.58 27.29 1jee s HIS 292 CO 0.92 -4.39 0.00 0.00 -0.65 0.00 0.00 174.74 170.62 1jee n ALA 293 N 5.32 -0.39 -2.37 1.58 0.00 -1.26 -4.19 120.51 119.20 1jee n ALA 293 Ca 0.17 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 1jee n ALA 293 Cb 0.39 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.61 2.59 -0.22 0.00 0.00 -0.74 -0.62 107.32 105.73 1jee s GLY 294 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.70 1jee s GLY 294 CO 0.00 0.33 1.44 -1.55 0.00 0.00 0.00 173.10 173.32 1jee n PRO 295 N 1.73 2.32 0.00 2.90 -0.04 -1.26 -4.97 135.00 135.68 1jee n PRO 295 Ca -0.12 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1jee n PRO 295 Cb 0.51 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.17 1.18 3.58 0.55 0.00 -1.26 -4.85 105.19 104.21 1jee n GLY 296 Ca 0.29 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 2.05 0.76 1.61 1.02 -1.26 -1.55 119.74 122.37 1jee s LYS 297 Ca 0.00 -1.54 -0.06 0.00 0.02 0.00 0.00 55.97 54.39 1jee s LYS 297 Cb 0.00 -2.01 0.12 0.00 -0.52 0.00 0.00 37.83 35.42 1jee s LYS 297 CO 0.00 0.35 1.06 0.54 -0.92 0.00 0.00 175.35 176.38 1jee s ASN 298 N -3.58 4.26 0.63 2.83 6.03 -0.28 -4.89 114.94 119.93 1jee s ASN 298 Ca 0.31 0.01 0.29 0.00 -1.03 0.00 0.00 52.86 52.43 1jee s ASN 298 Cb -0.06 -0.42 1.52 0.00 -3.03 0.00 0.00 41.25 39.26 1jee s ASN 298 CO 0.18 -1.94 1.89 0.77 -2.03 0.00 0.00 177.10 175.97 1jee h SER 299 N -0.75 0.00 -0.14 3.54 4.64 -1.98 0.28 113.55 119.14 1jee h SER 299 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1jee h SER 299 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jee h SER 299 CO 0.46 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.71 1jee n LYS 300 N -3.26 1.64 -0.47 4.77 5.02 -1.26 -4.93 118.16 119.67 1jee n LYS 300 Ca 0.03 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 1jee n LYS 300 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 1.10 1.58 3.84 0.72 0.00 0.99 -5.04 105.19 108.38 1jee n GLY 301 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.29 4.68 0.22 1.61 0.11 -1.26 -4.77 120.40 117.70 1jee s VAL 302 Ca 0.00 0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 59.75 1jee s VAL 302 Cb 0.00 -3.68 -0.09 0.00 -1.53 0.00 0.00 36.38 31.08 1jee s VAL 302 CO 0.00 -0.05 1.27 -1.81 -3.33 0.00 0.00 175.10 171.19 1jee s ASP 303 N -2.08 6.94 0.18 3.54 -0.00 -1.26 -1.13 116.67 122.86 1jee s ASP 303 Ca 0.50 2.39 -0.06 0.00 -0.00 0.00 0.00 52.55 55.38 1jee s ASP 303 Cb -0.12 -2.61 0.07 0.00 -0.00 0.00 0.00 42.92 40.26 1jee s ASP 303 CO 0.19 -0.47 1.52 -0.26 -0.00 0.00 0.00 175.17 176.15 1jee h PHE 304 N 5.02 0.91 -3.99 4.23 -1.00 -1.64 -3.45 116.94 117.02 1jee h PHE 304 Ca -0.45 -0.27 -0.19 0.00 2.81 0.00 0.00 57.97 59.87 1jee h PHE 304 Cb 1.22 -0.19 -0.15 0.00 3.61 0.00 0.00 35.95 40.43 1jee h PHE 304 CO 0.61 1.04 -0.69 0.71 -1.61 0.00 0.00 178.31 178.37 1jee s TYR 305 N -4.30 0.72 0.48 -0.55 1.51 -1.26 -5.03 117.35 108.91 1jee s TYR 305 Ca -0.09 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 54.82 1jee s TYR 305 Cb 0.12 -0.45 -0.07 0.00 -0.11 0.00 0.00 41.96 41.44 1jee s TYR 305 CO 0.86 -0.23 1.12 0.20 -1.11 0.00 0.00 175.55 176.38 1jee s GLY 306 N -2.85 2.69 0.12 0.71 0.00 -1.26 -4.86 107.32 101.86 1jee s GLY 306 Ca 0.08 0.81 0.06 0.00 0.00 0.00 0.00 44.72 45.67 1jee s GLY 306 CO -0.06 1.21 1.11 -1.55 0.00 0.00 0.00 173.10 173.81 1jee n PRO 307 N -0.73 0.04 -0.46 2.90 -0.04 -1.26 -1.95 135.00 133.51 1jee n PRO 307 Ca 0.08 0.47 0.03 0.00 -0.04 0.00 0.00 63.50 64.05 1jee n PRO 307 Cb 0.50 -1.77 0.05 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.68 0.00 -0.17 0.54 4.02 -1.26 0.47 117.16 119.08 1jee n TYR 308 Ca -0.00 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.90 57.44 1jee n TYR 308 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 0.10 0.75 -0.62 7.72 3.45 -1.76 -2.27 116.42 123.79 1jee h ASP 309 Ca -0.02 -0.25 0.04 0.00 0.43 0.00 0.00 57.03 57.24 1jee h ASP 309 Cb 1.31 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 39.84 1jee h ASP 309 CO 0.01 0.80 0.36 0.00 -1.57 0.00 0.00 179.24 178.84 1jee h ALA 310 N 0.97 0.82 -0.61 3.45 0.00 -1.87 0.26 119.26 122.28 1jee h ALA 310 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jee h ALA 310 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jee h ALA 310 CO 0.01 0.06 0.36 1.96 0.00 0.00 0.00 179.25 181.63 1jee h GLN 311 N 0.69 0.84 -0.15 0.00 4.20 -1.83 0.00 115.11 118.87 1jee h GLN 311 Ca 0.27 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1jee h GLN 311 Cb 0.11 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1jee h GLN 311 CO -0.14 0.61 0.05 0.93 -0.67 0.00 0.00 178.83 179.61 1jee h GLU 312 N 0.83 0.22 -0.40 1.46 5.08 -0.77 -0.42 114.58 120.58 1jee h GLU 312 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1jee h GLU 312 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1jee h GLU 312 CO -0.04 0.33 0.26 1.25 -1.00 0.00 0.00 179.01 179.81 1jee h LEU 313 N 0.07 0.47 -1.16 1.33 6.46 -0.76 -0.98 115.31 120.73 1jee h LEU 313 Ca 0.05 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1jee h LEU 313 Cb 0.19 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1jee h LEU 313 CO -0.00 0.35 0.23 0.58 -0.62 0.00 0.00 178.44 178.98 1jee h VAL 314 N 0.54 1.20 -0.53 1.05 2.07 -0.91 -2.45 116.25 117.22 1jee h VAL 314 Ca 0.15 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1jee h VAL 314 Cb -0.05 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1jee h VAL 314 CO -0.03 0.25 0.14 -0.08 0.02 0.00 0.00 177.57 177.87 1jee h GLU 315 N 0.81 0.85 0.00 1.57 4.57 -0.45 -2.34 114.58 119.59 1jee h GLU 315 Ca 0.19 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1jee h GLU 315 Cb 0.16 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1jee h GLU 315 CO -0.02 0.79 -0.19 0.66 -1.18 0.00 0.00 179.01 179.07 1jee h SER 316 N 0.74 0.00 -0.46 1.04 4.64 -0.73 -2.23 113.55 116.55 1jee h SER 316 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1jee h SER 316 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1jee h SER 316 CO -0.00 0.19 0.00 -1.22 -0.87 0.00 0.00 176.83 174.93 1jee n TYR 317 N -3.78 0.60 -0.33 4.77 0.53 -1.04 -4.68 117.16 113.23 1jee n TYR 317 Ca -0.02 -0.30 0.06 0.00 -1.02 0.00 0.00 57.90 56.62 1jee n TYR 317 Cb 0.30 0.00 0.13 0.00 -1.03 0.00 0.00 39.34 38.74 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 1.46 -0.08 0.00 -0.72 4.81 -0.84 -1.09 118.16 121.70 1jee n LYS 318 Ca 0.20 1.41 0.11 0.00 -0.87 0.00 0.00 58.31 59.17 1jee n LYS 318 Cb 0.59 -2.11 0.63 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 -5.48 0.00 -0.48 5.64 8.25 -1.26 -3.16 115.22 118.73 1jee n HIS 319 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1jee n HIS 319 Cb 0.46 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.10 0.25 0.08 -0.41 0.28 -0.25 -4.66 120.64 114.83 1jee n GLU 320 Ca 0.15 -0.54 -0.10 0.00 -0.16 0.00 0.00 57.16 56.50 1jee n GLU 320 Cb 0.11 -0.76 -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 0.19 2.06 -1.84 3.38 -1.39 -3.48 115.31 114.24 1jee h LEU 321 Ca 0.00 -0.20 -0.40 0.00 0.09 0.00 0.00 57.88 57.37 1jee h LEU 321 Cb 0.43 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1jee h LEU 321 CO 0.00 1.12 -0.45 -0.67 0.09 0.00 0.00 178.44 178.53 1jee n ASP 322 N -3.48 -5.60 -3.74 -0.43 2.03 -1.26 -4.93 116.55 99.15 1jee n ASP 322 Ca -0.04 0.20 -0.14 0.00 0.52 0.00 0.00 54.79 55.34 1jee n ASP 322 Cb 0.94 -4.72 -0.14 0.00 -0.72 0.00 0.00 41.12 36.48 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 -2.89 -0.06 0.05 5.18 2.07 -1.26 -4.83 121.20 119.46 1jee s ILE 323 Ca 0.00 0.18 -0.30 0.00 -1.41 0.00 0.00 60.65 59.12 1jee s ILE 323 Cb 0.00 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1jee s ILE 323 CO 0.00 0.08 1.18 -1.61 -1.91 0.00 0.00 174.94 172.68 1jee s GLU 324 N 1.25 4.44 -0.21 3.50 2.02 -0.82 -4.87 118.70 124.00 1jee s GLU 324 Ca -0.09 1.73 -0.13 0.00 0.02 0.00 0.00 54.97 56.51 1jee s GLU 324 Cb -0.11 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1jee s GLU 324 CO -0.06 -0.25 0.26 0.08 0.02 0.00 0.00 175.26 175.31 1jee s VAL 325 N 1.14 5.30 -0.49 2.63 1.01 -1.26 -0.71 120.40 128.03 1jee s VAL 325 Ca 0.58 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 1jee s VAL 325 Cb -0.28 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1jee s VAL 325 CO 0.29 0.33 0.41 -0.69 0.00 0.00 0.00 175.10 175.44 1jee s VAL 326 N 0.98 5.11 0.34 2.92 1.01 -0.33 -4.92 120.40 125.51 1jee s VAL 326 Ca 0.13 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1jee s VAL 326 Cb -0.14 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1jee s VAL 326 CO 0.05 -0.67 0.85 -2.16 0.00 0.00 0.00 175.10 173.17 1jee s PRO 327 N 1.60 4.26 0.01 2.72 0.04 -1.26 -1.51 135.00 140.86 1jee s PRO 327 Ca 0.04 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.10 1jee s PRO 327 Cb -0.26 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1jee s PRO 327 CO 0.05 0.18 -0.05 -0.06 0.04 0.00 0.00 177.00 177.16 1jee s PHE 328 N -1.86 0.41 0.41 0.56 0.08 -0.60 -4.91 117.98 112.06 1jee s PHE 328 Ca 0.53 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.46 1jee s PHE 328 Cb -0.13 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1jee s PHE 328 CO 0.18 -0.03 0.58 1.03 -0.10 0.00 0.00 175.22 176.88 1jee s ARG 329 N -0.45 2.96 -0.45 0.44 3.00 -1.26 -3.50 118.95 119.68 1jee s ARG 329 Ca -0.02 -0.91 -0.40 0.00 0.00 0.00 0.00 55.73 54.40 1jee s ARG 329 Cb -0.04 -2.70 -0.17 0.00 0.00 0.00 0.00 34.95 32.04 1jee s ARG 329 CO -0.00 -0.19 1.91 -0.12 0.00 0.00 0.00 175.30 176.89 1jee n MET 330 N -1.88 0.00 -2.98 3.54 0.00 -1.26 -4.53 117.12 110.01 1jee n MET 330 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.33 1jee n MET 330 Cb 0.58 -1.36 -0.04 0.00 0.00 0.00 0.00 33.22 32.40 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 5.25 5.00 0.27 1.12 1.01 -1.26 -0.46 120.40 131.33 1jee s VAL 331 Ca 1.08 1.54 0.02 0.00 0.00 0.00 0.00 61.98 64.61 1jee s VAL 331 Cb -1.36 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 30.89 1jee s VAL 331 CO 0.61 0.20 0.12 0.28 0.00 0.00 0.00 175.10 176.31 1jee s THR 332 N 1.05 0.44 0.06 3.92 -1.32 -0.70 -4.91 115.64 114.17 1jee s THR 332 Ca 0.39 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.68 1jee s THR 332 Cb -0.18 -2.58 -0.06 0.00 -1.51 0.00 0.00 72.50 68.16 1jee s THR 332 CO 0.18 0.00 0.57 -0.47 -2.21 0.00 0.00 174.62 172.70 1jee s TYR 333 N -3.74 3.78 -0.59 9.09 5.04 -0.56 -1.51 117.35 128.87 1jee s TYR 333 Ca 0.37 1.26 -0.02 0.00 -2.44 0.00 0.00 57.07 56.24 1jee s TYR 333 Cb 0.07 -2.52 0.15 0.00 0.35 0.00 0.00 41.96 40.01 1jee s TYR 333 CO 0.15 0.54 0.39 -0.51 -1.34 0.00 0.00 175.55 174.77 1jee s LEU 334 N -0.91 5.12 0.00 6.97 1.43 0.21 0.42 118.68 131.92 1jee s LEU 334 Ca 0.29 -2.79 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 1jee s LEU 334 Cb -0.19 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1jee s LEU 334 CO 0.19 -0.37 0.51 -2.65 0.23 0.00 0.00 176.35 174.26 1jee n PRO 335 N 3.55 0.00 0.30 1.29 -0.02 -1.25 0.09 135.00 138.96 1jee n PRO 335 Ca 0.06 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1jee n PRO 335 Cb 0.37 -1.01 0.06 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.66 116.42 121.12 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 -2.39 1.60 -3.36 3.56 1.02 -0.90 -5.05 120.64 115.12 1jee n GLU 337 Ca -0.00 -0.33 -0.23 0.00 -0.02 0.00 0.00 57.16 56.58 1jee n GLU 337 Cb 0.91 -0.82 0.02 0.00 -0.02 0.00 0.00 31.44 31.52 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 -0.32 -6.23 0.00 1.62 4.64 0.23 -5.00 116.55 111.49 1jee n ASP 338 Ca 0.00 -0.18 0.00 0.00 -1.38 0.00 0.00 54.79 53.23 1jee n ASP 338 Cb 0.00 -3.02 0.00 0.00 -1.04 0.00 0.00 41.12 37.06 1jee n ASP 338 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 1jee n ARG 339 N -1.00 0.00 -3.73 -0.67 1.85 -1.18 -5.02 116.66 106.91 1jee n ARG 339 Ca -0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.56 1jee n ARG 339 Cb 0.61 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.00 1jee n ARG 339 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1jee s TYR 340 N -2.00 3.08 -0.20 2.89 1.51 -1.26 -0.62 117.35 120.75 1jee s TYR 340 Ca 0.00 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 1jee s TYR 340 Cb 0.00 -1.80 0.15 0.00 -0.11 0.00 0.00 41.96 40.19 1jee s TYR 340 CO 0.00 0.18 1.10 0.00 -1.11 0.00 0.00 175.55 175.72 1jee s ALA 341 N -2.19 -1.99 0.27 3.71 0.00 -0.57 -4.94 121.76 116.06 1jee s ALA 341 Ca 0.41 1.68 -0.31 0.00 0.00 0.00 0.00 51.96 53.74 1jee s ALA 341 Cb -0.08 -0.98 -0.12 0.00 0.00 0.00 0.00 23.12 21.95 1jee s ALA 341 CO 0.28 -0.28 1.62 -2.30 0.00 0.00 0.00 175.76 175.09 1jee n PRO 342 N 0.76 2.71 0.30 0.00 -0.02 -1.26 -1.71 135.00 135.77 1jee n PRO 342 Ca -0.08 0.97 0.18 0.00 -2.02 0.00 0.00 63.50 62.55 1jee n PRO 342 Cb 0.58 -2.76 0.94 0.00 -0.02 0.00 0.00 33.50 32.23 1jee n PRO 342 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1jee h ILE 343 N 3.45 0.23 0.00 4.25 6.09 -1.00 -1.62 117.51 128.91 1jee h ILE 343 Ca -0.46 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 1jee h ILE 343 Cb 1.22 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.71 1jee h ILE 343 CO 0.83 0.03 0.00 -0.90 -3.07 0.00 0.00 178.15 175.04 1jee n ASP 344 N -3.34 0.38 -2.27 2.19 5.75 -1.26 -3.23 116.55 114.78 1jee n ASP 344 Ca -0.02 0.59 -0.25 0.00 -0.01 0.00 0.00 54.79 55.10 1jee n ASP 344 Cb 0.17 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.92 3.46 0.00 0.11 10.64 -0.61 -5.01 117.38 124.05 1jee n GLN 345 Ca 0.03 -4.31 0.00 0.00 -1.83 0.00 0.00 57.00 50.89 1jee n GLN 345 Cb 0.21 -2.24 0.00 0.00 -0.86 0.00 0.00 30.24 27.36 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 -0.59 0.00 0.00 -0.39 -5.35 -1.20 -4.94 119.36 106.90 1jee n ILE 346 Ca 0.40 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 1jee n ILE 346 Cb 0.81 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 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 -0.91 7.28 4.64 -1.26 -4.85 116.55 121.45 1jee n ASP 347 Ca 0.00 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.29 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 -2.26 114.28 114.90 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 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 -2.27 0.00 0.18 12.58 -1.04 -1.26 -4.63 114.28 117.84 1jee n THR 349 Ca -0.12 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.08 1jee n THR 349 Cb 0.58 0.00 0.77 0.00 -1.82 0.00 0.00 70.33 69.86 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 0.08 0.00 -5.00 -2.82 1.57 -1.88 -3.38 116.57 105.14 1jee h LYS 350 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1jee h LYS 350 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 1jee h LYS 350 CO 0.00 0.00 -0.82 0.99 -0.57 0.00 0.00 179.45 179.05 1jee s THR 351 N -4.44 1.27 -0.17 -0.16 2.01 -0.96 -5.07 115.64 108.12 1jee s THR 351 Ca -0.04 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1jee s THR 351 Cb 0.13 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1jee s THR 351 CO 0.45 0.38 0.33 -0.60 -0.69 0.00 0.00 174.62 174.49 1jee s ARG 352 N 0.22 4.24 0.51 4.92 3.52 -1.26 -4.58 118.95 126.53 1jee s ARG 352 Ca -0.07 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.74 1jee s ARG 352 Cb -0.12 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1jee s ARG 352 CO 0.02 0.16 0.53 0.25 -0.81 0.00 0.00 175.30 175.46 1jee n THR 353 N 3.79 0.00 -3.69 4.11 -2.24 -1.26 -3.90 114.28 111.08 1jee n THR 353 Ca -0.11 -1.87 -0.13 0.00 -2.27 0.00 0.00 64.05 59.68 1jee n THR 353 Cb 0.52 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.05 -0.21 3.22 1.43 0.17 -4.81 118.68 118.42 1jee s LEU 354 Ca 0.41 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1jee s LEU 354 Cb -0.03 1.77 0.11 0.00 0.03 0.00 0.00 46.19 48.06 1jee s LEU 354 CO 0.26 -0.19 0.36 0.21 0.23 0.00 0.00 176.35 177.22 1jee s ASN 355 N 0.48 0.21 -0.77 2.29 3.84 -1.26 -1.49 114.94 118.24 1jee s ASN 355 Ca -0.02 0.44 -0.17 0.00 0.21 0.00 0.00 52.86 53.33 1jee s ASN 355 Cb -0.04 1.07 0.16 0.00 -0.55 0.00 0.00 41.25 41.88 1jee s ASN 355 CO -0.02 -0.28 0.83 -0.63 -2.79 0.00 0.00 177.10 174.22 1jee s ILE 356 N 2.53 5.13 0.79 -5.21 1.01 -1.26 -5.05 121.20 119.14 1jee s ILE 356 Ca 0.07 -1.76 -0.14 0.00 0.00 0.00 0.00 60.65 58.82 1jee s ILE 356 Cb -0.14 -4.55 0.05 0.00 0.01 0.00 0.00 42.46 37.82 1jee s ILE 356 CO -0.14 -1.18 1.01 -1.54 0.00 0.00 0.00 174.94 173.09 1jee n SER 357 N 5.41 0.40 -0.28 3.58 3.41 -1.26 -4.73 113.62 120.16 1jee n SER 357 Ca 0.08 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 1jee n SER 357 Cb 0.46 -1.43 0.32 0.00 -0.26 0.00 0.00 64.21 63.30 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 -0.75 1.27 0.00 5.00 0.00 -1.98 -0.73 103.07 105.88 1jee h GLY 358 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1jee h GLY 358 CO 0.45 0.16 0.00 2.41 0.00 0.00 0.00 176.54 179.56 1jee n THR 359 N -4.54 0.00 0.30 4.70 -1.04 -1.26 -0.85 114.28 111.58 1jee n THR 359 Ca 0.16 1.07 0.13 0.00 -2.04 0.00 0.00 64.05 63.36 1jee n THR 359 Cb 0.36 -1.75 0.61 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.26 -2.82 4.22 -1.84 0.22 114.58 114.10 1jee h GLU 360 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 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 -0.09 1.25 -2.18 0.00 0.00 179.01 177.99 1jee h LEU 361 N 0.00 0.53 -0.39 1.64 5.85 0.55 -2.65 115.31 120.83 1jee h LEU 361 Ca 0.03 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1jee h LEU 361 Cb 1.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1jee h LEU 361 CO -0.00 0.80 0.26 0.03 -0.34 0.00 0.00 178.44 179.19 1jee h ARG 362 N 0.26 0.52 -0.67 1.25 2.47 0.11 -2.54 114.38 115.77 1jee h ARG 362 Ca 0.06 -0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.88 1jee h ARG 362 Cb 0.59 -0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 28.66 1jee h ARG 362 CO 0.03 0.35 -0.17 -0.09 0.56 0.00 0.00 179.97 180.65 1jee h ARG 363 N 0.53 -0.00 -0.17 0.04 2.43 -1.28 0.46 114.38 116.39 1jee h ARG 363 Ca 0.14 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1jee h ARG 363 Cb -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1jee h ARG 363 CO -0.03 -0.00 -0.46 0.00 -1.51 0.00 0.00 179.97 177.96 1jee h ARG 364 N -0.00 0.42 -0.34 0.20 3.08 -1.31 -0.35 114.38 116.07 1jee h ARG 364 Ca 0.32 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1jee h ARG 364 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1jee h ARG 364 CO -0.70 0.80 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.78 1jee h LEU 365 N 0.34 0.59 0.00 3.04 3.38 -0.61 0.33 115.31 122.38 1jee h LEU 365 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jee h LEU 365 Cb 0.94 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jee h LEU 365 CO 0.08 0.76 -0.31 -0.09 0.09 0.00 0.00 178.44 178.97 1jee h ARG 366 N 0.55 0.00 -0.14 1.13 2.43 0.03 -3.14 114.38 115.24 1jee h ARG 366 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1jee h ARG 366 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1jee h ARG 366 CO 0.04 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.83 1jee n VAL 367 N -2.54 1.74 -1.17 0.20 0.24 -0.16 -1.39 118.33 115.25 1jee n VAL 367 Ca 0.04 -1.73 -0.07 0.00 -2.04 0.00 0.00 64.34 60.54 1jee n VAL 367 Cb 0.48 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.67 0.65 3.73 7.63 0.00 0.84 -4.93 105.19 112.44 1jee n GLY 368 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.19 2.29 -0.04 -0.02 0.00 0.62 -4.97 107.32 103.02 1jee s GLY 369 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.23 1jee s GLY 369 CO 0.00 1.20 0.97 1.85 0.00 0.00 0.00 173.10 177.12 1jee s GLU 370 N -3.97 4.51 -0.33 2.90 2.56 -1.26 -4.71 118.70 118.41 1jee s GLU 370 Ca 0.73 1.38 -0.12 0.00 0.00 0.00 0.00 54.97 56.95 1jee s GLU 370 Cb -0.27 -3.49 -0.02 0.00 2.00 0.00 0.00 34.13 32.35 1jee s GLU 370 CO 0.45 -0.13 0.22 0.42 -0.56 0.00 0.00 175.26 175.65 1jee s ILE 371 N 1.34 5.20 0.02 -3.70 1.01 -1.26 -5.03 121.20 118.77 1jee s ILE 371 Ca 0.50 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 1jee s ILE 371 Cb -0.20 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 1jee s ILE 371 CO 0.24 0.05 0.36 -2.65 0.00 0.00 0.00 174.94 172.94 1jee n PRO 372 N 5.08 0.00 -0.21 2.79 -0.02 -1.26 -4.83 135.00 136.56 1jee n PRO 372 Ca -0.13 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.37 1jee n PRO 372 Cb 0.50 -0.52 0.27 0.00 -0.02 0.00 0.00 33.50 33.73 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 0.97 0.93 -0.40 -0.52 4.39 -1.96 -2.50 114.58 115.48 1jee h GLU 373 Ca -0.17 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 1jee h GLU 373 Cb 0.54 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1jee h GLU 373 CO 0.24 0.61 -0.31 0.11 -1.16 0.00 0.00 179.01 178.50 1jee h TRP 374 N 0.95 1.04 0.34 4.33 5.08 -2.02 -3.34 115.95 122.34 1jee h TRP 374 Ca 0.29 -0.28 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1jee h TRP 374 Cb -0.03 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 25.90 1jee h TRP 374 CO -0.00 1.08 -0.22 0.35 -1.28 0.00 0.00 178.44 178.37 1jee h PHE 375 N 0.74 -0.56 -3.80 0.12 3.57 -1.79 -3.43 116.94 111.78 1jee h PHE 375 Ca 0.08 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1jee h PHE 375 Cb 0.88 0.20 -0.16 0.00 2.79 0.00 0.00 35.95 39.66 1jee h PHE 375 CO 0.05 -0.33 -0.47 0.45 -2.23 0.00 0.00 178.31 175.78 1jee s SER 376 N -4.73 0.17 0.53 0.41 0.15 -1.19 -2.00 113.70 107.05 1jee s SER 376 Ca -0.16 -0.58 -0.21 0.00 0.70 0.00 0.00 55.95 55.70 1jee s SER 376 Cb 0.05 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1jee s SER 376 CO 0.64 -0.59 1.23 -0.31 1.20 0.00 0.00 173.24 175.41 1jee s TYR 377 N -3.09 2.54 0.08 3.44 1.51 -1.26 -4.65 117.35 115.92 1jee s TYR 377 Ca -0.01 1.49 -0.23 0.00 -1.01 0.00 0.00 57.07 57.31 1jee s TYR 377 Cb 0.02 -3.52 -0.15 0.00 -0.11 0.00 0.00 41.96 38.20 1jee s TYR 377 CO -0.07 -2.12 1.70 -1.00 -1.11 0.00 0.00 175.55 172.95 1jee h PRO 378 N 1.42 0.02 -0.94 -1.71 0.13 -1.94 -2.57 132.00 126.42 1jee h PRO 378 Ca -0.50 -0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.87 1jee h PRO 378 Cb 1.28 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1jee h PRO 378 CO 0.57 0.06 0.64 0.93 -0.23 0.00 0.00 178.00 179.97 1jee h GLU 379 N -0.03 0.25 0.03 0.86 3.07 -1.99 0.49 114.58 117.26 1jee h GLU 379 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jee h GLU 379 Cb 0.05 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1jee h GLU 379 CO -0.00 0.16 -0.01 0.28 -1.40 0.00 0.00 179.01 178.04 1jee h VAL 380 N 0.26 1.40 -0.84 3.13 2.07 -1.87 -2.63 116.25 117.77 1jee h VAL 380 Ca 0.48 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1jee h VAL 380 Cb 1.45 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 1jee h VAL 380 CO -0.14 0.37 0.55 0.58 0.02 0.00 0.00 177.57 178.95 1jee h VAL 381 N -0.69 1.03 0.13 2.57 2.07 -0.86 -0.92 116.25 119.58 1jee h VAL 381 Ca -0.00 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1jee h VAL 381 Cb 0.63 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1jee h VAL 381 CO 0.01 0.16 -0.14 0.50 0.02 0.00 0.00 177.57 178.12 1jee h LYS 382 N 0.90 -0.29 -0.99 1.57 3.64 -0.93 0.40 116.57 120.86 1jee h LYS 382 Ca 0.37 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 1jee h LYS 382 Cb 0.27 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1jee h LYS 382 CO -0.14 -0.20 0.64 0.82 -2.27 0.00 0.00 179.45 178.31 1jee h ILE 383 N -0.31 1.10 0.20 2.00 2.04 -0.89 -1.52 117.51 120.13 1jee h ILE 383 Ca 0.01 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1jee h ILE 383 Cb 0.30 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1jee h ILE 383 CO -0.05 0.21 -0.10 -0.07 0.00 0.00 0.00 178.15 178.15 1jee h LEU 384 N 1.17 -0.23 -0.94 1.44 3.38 -0.62 -2.61 115.31 116.90 1jee h LEU 384 Ca 0.42 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1jee h LEU 384 Cb 0.15 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1jee h LEU 384 CO -0.16 0.10 0.58 0.03 0.09 0.00 0.00 178.44 179.07 1jee h ARG 385 N -0.57 0.91 -0.51 1.13 3.08 -0.76 0.29 114.38 117.96 1jee h ARG 385 Ca -0.03 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jee h ARG 385 Cb 0.42 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1jee h ARG 385 CO 0.04 0.60 0.34 1.49 -1.07 0.00 0.00 179.97 181.38 1jee h GLU 386 N 0.94 0.52 0.00 0.04 4.81 -1.19 -1.17 114.58 118.53 1jee h GLU 386 Ca 0.46 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.52 1jee h GLU 386 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1jee h GLU 386 CO -0.25 0.35 -1.56 0.43 -0.73 0.00 0.00 179.01 177.24 1jee n SER 387 N -4.47 0.60 -3.56 1.04 7.64 -0.25 -4.52 113.62 110.09 1jee n SER 387 Ca 0.06 0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.93 1jee n SER 387 Cb 0.18 0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 63.91 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 -2.73 1.30 -4.72 6.43 4.13 0.86 -5.11 115.26 115.43 1jee n ASN 388 Ca -0.10 -2.82 -0.35 0.00 1.68 0.00 0.00 54.58 52.99 1jee n ASN 388 Cb 0.78 -0.65 0.09 0.00 -1.54 0.00 0.00 39.78 38.46 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 -0.89 2.21 0.88 3.52 0.04 -0.48 -4.44 135.00 135.84 1jee s PRO 389 Ca 0.31 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 1jee s PRO 389 Cb 0.03 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.86 1jee s PRO 389 CO -0.16 -1.79 1.09 -1.25 0.04 0.00 0.00 177.00 174.93 1jee s PRO 390 N -3.80 1.40 0.26 0.56 0.04 -1.18 -4.67 135.00 127.61 1jee s PRO 390 Ca 0.76 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 1jee s PRO 390 Cb -0.31 -1.81 0.51 0.00 0.04 0.00 0.00 34.50 32.93 1jee s PRO 390 CO 0.44 -2.19 1.64 0.00 0.04 0.00 0.00 177.00 176.93 1jee h ARG 391 N -1.52 0.13 0.00 4.56 2.47 -1.48 0.64 114.38 119.18 1jee h ARG 391 Ca -0.48 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1jee h ARG 391 Cb 1.27 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1jee h ARG 391 CO 0.52 0.09 0.05 -0.35 0.56 0.00 0.00 179.97 180.84 1jee n PRO 392 N -5.31 0.00 0.00 0.04 -0.04 -0.61 -0.11 135.00 128.97 1jee n PRO 392 Ca 0.16 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1jee n PRO 392 Cb 0.53 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.30 0.86 -2.86 0.54 5.02 0.20 -4.88 118.16 115.73 1jee n LYS 393 Ca 0.00 -0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 55.05 1jee n LYS 393 Cb 0.05 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.45 3.79 0.70 1.97 -0.21 0.85 -4.69 119.66 121.61 1jee s GLN 394 Ca 0.00 0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.85 1jee s GLN 394 Cb 0.00 -2.39 0.12 0.00 1.00 0.00 0.00 33.01 31.74 1jee s GLN 394 CO 0.00 -0.03 0.97 0.20 -2.12 0.00 0.00 175.29 174.31 1jee s GLY 395 N -3.12 1.76 0.11 3.09 0.00 -1.20 -4.77 107.32 103.19 1jee s GLY 395 Ca 0.51 -1.70 -0.25 0.00 0.00 0.00 0.00 44.72 43.28 1jee s GLY 395 CO 0.31 -1.16 1.11 -0.11 0.00 0.00 0.00 173.10 173.25 1jee s PHE 396 N -3.10 0.00 0.00 1.90 -0.12 -0.51 -4.89 117.98 111.27 1jee s PHE 396 Ca 0.65 -0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 57.24 1jee s PHE 396 Cb -0.06 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 1jee s PHE 396 CO 0.44 -0.67 0.02 -1.12 -0.05 0.00 0.00 175.22 173.83 1jee s SER 397 N -3.31 0.09 -0.18 1.98 0.01 -0.09 -0.28 113.70 111.93 1jee s SER 397 Ca 0.20 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.25 1jee s SER 397 Cb -0.01 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1jee s SER 397 CO 0.02 -0.18 -0.16 -0.63 0.41 0.00 0.00 173.24 172.71 1jee s ILE 398 N -0.78 2.48 -0.22 1.44 -1.09 -0.02 -1.02 121.20 122.00 1jee s ILE 398 Ca -0.09 -0.81 -0.07 0.00 -2.23 0.00 0.00 60.65 57.45 1jee s ILE 398 Cb -0.05 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1jee s ILE 398 CO -0.00 0.51 0.06 -0.69 -1.23 0.00 0.00 174.94 173.59 1jee s VAL 399 N 1.16 4.50 -0.51 2.92 1.01 0.29 -0.52 120.40 129.26 1jee s VAL 399 Ca 0.01 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 1jee s VAL 399 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1jee s VAL 399 CO -0.07 0.39 1.39 -0.76 0.00 0.00 0.00 175.10 176.06 1jee s LEU 400 N 1.03 3.48 0.79 3.92 1.43 0.78 -1.01 118.68 129.10 1jee s LEU 400 Ca 0.04 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 1jee s LEU 400 Cb -0.14 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 1jee s LEU 400 CO 0.03 -1.59 0.20 0.61 0.23 0.00 0.00 176.35 175.83 1jee n GLY 401 N 5.18 -2.37 0.35 -3.19 0.00 0.15 -4.10 105.19 101.21 1jee n GLY 401 Ca 0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.69 1.07 0.16 1.61 2.35 -1.93 -2.25 115.58 115.90 1jee h ASN 402 Ca -0.44 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1jee h ASN 402 Cb 1.34 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1jee h ASN 402 CO 0.37 0.85 0.00 -1.54 -1.65 0.00 0.00 177.43 175.47 1jee n SER 403 N -4.38 0.55 -4.68 5.81 3.41 -1.26 -4.78 113.62 108.29 1jee n SER 403 Ca 0.09 0.73 -0.47 0.00 -0.26 0.00 0.00 58.87 58.95 1jee n SER 403 Cb 0.08 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.18 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 -2.21 3.52 -0.04 1.04 7.99 -0.85 -4.67 117.00 121.79 1jee n LEU 404 Ca -0.01 0.97 -0.04 0.00 -0.01 0.00 0.00 56.01 56.93 1jee n LEU 404 Cb 0.08 -1.40 -0.14 0.00 -0.11 0.00 0.00 43.42 41.85 1jee n LEU 404 CO 0.11 -0.04 -0.78 0.41 -1.51 0.00 0.00 177.39 175.59 1jee n THR 405 N 5.04 1.17 -0.91 -5.08 -1.04 0.65 -4.97 114.28 109.15 1jee n THR 405 Ca 0.22 -0.75 -0.29 0.00 -2.04 0.00 0.00 64.05 61.19 1jee n THR 405 Cb 0.31 -0.56 0.22 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.77 1.90 -0.12 12.58 -7.23 -1.21 -4.89 120.40 118.66 1jee s VAL 406 Ca -0.07 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.81 1jee s VAL 406 Cb 0.08 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1jee s VAL 406 CO 0.84 0.00 1.72 -0.55 -0.31 0.00 0.00 175.10 176.80 1jee s SER 407 N -3.19 6.43 0.33 4.85 0.15 -1.26 -4.84 113.70 116.16 1jee s SER 407 Ca 0.67 2.01 0.07 0.00 0.70 0.00 0.00 55.95 59.40 1jee s SER 407 Cb -0.19 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 62.17 1jee s SER 407 CO 0.60 -1.16 1.80 0.03 1.20 0.00 0.00 173.24 175.70 1jee h ARG 408 N 10.59 0.29 -0.15 5.44 3.08 -1.92 -1.20 114.38 130.51 1jee h ARG 408 Ca -0.38 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1jee h ARG 408 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1jee h ARG 408 CO 0.97 0.53 0.06 0.93 -1.07 0.00 0.00 179.97 181.40 1jee h GLU 409 N 0.26 0.23 -0.27 0.04 3.07 -1.95 -1.05 114.58 114.90 1jee h GLU 409 Ca 0.04 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 1jee h GLU 409 Cb 0.60 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1jee h GLU 409 CO 0.04 0.32 -0.54 1.96 -1.40 0.00 0.00 179.01 179.39 1jee h GLN 410 N 0.09 0.82 -0.10 2.33 1.08 -1.93 -2.56 115.11 114.85 1jee h GLN 410 Ca 0.05 -0.52 -0.06 0.00 -1.45 0.00 0.00 58.65 56.67 1jee h GLN 410 Cb 0.17 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1jee h GLN 410 CO -0.00 1.15 -0.22 1.25 -0.95 0.00 0.00 178.83 180.06 1jee h LEU 411 N 0.63 0.15 0.29 1.46 5.85 -1.18 -0.44 115.31 122.07 1jee h LEU 411 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1jee h LEU 411 Cb 1.14 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1jee h LEU 411 CO 0.12 0.38 -0.14 0.28 -0.34 0.00 0.00 178.44 178.74 1jee h SER 412 N 0.15 -0.33 -0.29 1.25 0.02 -1.04 -1.92 113.55 111.38 1jee h SER 412 Ca 0.03 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1jee h SER 412 Cb 0.47 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1jee h SER 412 CO 0.03 0.01 0.14 0.40 -1.14 0.00 0.00 176.83 176.27 1jee h ILE 413 N -0.70 0.98 -0.52 3.27 2.04 -1.29 -0.50 117.51 120.78 1jee h ILE 413 Ca -0.04 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.82 1jee h ILE 413 Cb 0.48 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 1jee h ILE 413 CO 0.06 0.05 0.02 0.00 0.00 0.00 0.00 178.15 178.28 1jee h ALA 414 N 1.16 0.51 -0.52 1.87 0.00 -1.06 0.25 119.26 121.47 1jee h ALA 414 Ca 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jee h ALA 414 Cb 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jee h ALA 414 CO -0.09 -0.38 0.20 -0.07 0.00 0.00 0.00 179.25 178.91 1jee h LEU 415 N 0.13 0.73 0.27 0.00 3.38 -0.79 0.08 115.31 119.12 1jee h LEU 415 Ca 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jee h LEU 415 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jee h LEU 415 CO -0.43 0.71 -0.20 0.25 0.09 0.00 0.00 178.44 178.87 1jee h LEU 416 N 0.71 -0.51 -1.45 1.67 5.85 0.44 0.15 115.31 122.18 1jee h LEU 416 Ca 0.17 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jee h LEU 416 Cb 0.22 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1jee h LEU 416 CO -0.01 -0.31 0.31 0.28 -0.34 0.00 0.00 178.44 178.37 1jee h SER 417 N -0.47 0.59 0.22 1.25 0.02 -0.49 0.24 113.55 114.91 1jee h SER 417 Ca -0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1jee h SER 417 Cb 0.41 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1jee h SER 417 CO 0.00 0.46 -0.10 0.74 -1.14 0.00 0.00 176.83 176.78 1jee h THR 418 N 0.69 0.85 -0.77 -2.27 2.02 -0.17 -2.99 112.91 110.27 1jee h THR 418 Ca 0.18 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.68 1jee h THR 418 Cb -0.03 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1jee h THR 418 CO -0.04 0.16 0.50 -0.26 0.37 0.00 0.00 175.52 176.26 1jee h PHE 419 N -0.70 0.80 -0.38 3.16 0.04 -0.48 -1.99 116.94 117.40 1jee h PHE 419 Ca -0.03 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1jee h PHE 419 Cb 0.48 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1jee h PHE 419 CO 0.04 0.41 0.25 -0.07 -0.60 0.00 0.00 178.31 178.34 1jee h LEU 420 N 0.78 0.33 -0.17 1.54 3.38 -0.84 -2.10 115.31 118.22 1jee h LEU 420 Ca 0.34 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1jee h LEU 420 Cb 0.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jee h LEU 420 CO -0.12 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1jee n GLN 421 N -4.48 0.13 0.07 1.13 10.64 -0.75 -3.37 117.38 120.75 1jee n GLN 421 Ca 0.04 0.22 -0.12 0.00 -1.83 0.00 0.00 57.00 55.31 1jee n GLN 421 Cb 0.16 -1.68 -0.03 0.00 -0.86 0.00 0.00 30.24 27.83 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 0.50 -3.07 2.61 0.05 -1.47 -3.50 116.94 112.05 1jee h PHE 422 Ca 0.00 -0.27 0.32 0.00 3.82 0.00 0.00 57.97 61.83 1jee h PHE 422 Cb 0.49 -0.05 -0.16 0.00 2.00 0.00 0.00 35.95 38.23 1jee h PHE 422 CO 0.00 1.09 -1.03 0.41 -0.18 0.00 0.00 178.31 178.60 1jee n GLY 423 N 0.94 -3.08 0.00 -1.45 0.00 -1.22 -5.01 105.19 95.38 1jee n GLY 423 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.09 0.11 3.20 -0.02 0.00 -1.26 -4.83 105.19 98.30 1jee n GLY 424 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.53 3.75 -0.02 0.00 -1.26 -5.01 105.19 104.18 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 -0.09 4.72 -0.11 1.61 3.52 -1.26 -5.04 118.95 122.30 1jee s ARG 426 Ca 0.00 1.67 -0.12 0.00 -0.13 0.00 0.00 55.73 57.15 1jee s ARG 426 Cb 0.00 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1jee s ARG 426 CO 0.00 0.32 0.28 -0.47 -0.81 0.00 0.00 175.30 174.62 1jee s TYR 427 N -1.07 3.55 0.17 5.12 6.14 -1.26 -4.94 117.35 125.05 1jee s TYR 427 Ca 0.44 0.67 0.11 0.00 0.64 0.00 0.00 57.07 58.92 1jee s TYR 427 Cb -0.29 -2.23 -0.04 0.00 0.42 0.00 0.00 41.96 39.81 1jee s TYR 427 CO 0.37 0.45 -0.22 0.71 0.64 0.00 0.00 175.55 177.50 1jee s TYR 428 N -0.24 2.39 -0.24 4.97 1.51 -1.26 -0.31 117.35 124.16 1jee s TYR 428 Ca 0.18 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.70 1jee s TYR 428 Cb -0.14 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.56 1jee s TYR 428 CO 0.06 0.45 0.63 0.21 -1.11 0.00 0.00 175.55 175.78 1jee s LYS 429 N -2.47 0.72 -0.17 -0.62 2.20 -0.67 -4.95 119.74 113.77 1jee s LYS 429 Ca 0.19 0.91 -0.27 0.00 -0.36 0.00 0.00 55.97 56.44 1jee s LYS 429 Cb -0.09 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1jee s LYS 429 CO 0.10 -0.10 0.93 0.42 -0.36 0.00 0.00 175.35 176.34 1jee s ILE 430 N 0.54 4.80 -0.25 5.43 -1.09 -1.26 -0.23 121.20 129.13 1jee s ILE 430 Ca -0.02 1.83 0.01 0.00 -2.23 0.00 0.00 60.65 60.25 1jee s ILE 430 Cb -0.05 -4.22 0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1jee s ILE 430 CO -0.02 -0.04 -0.10 0.12 -1.23 0.00 0.00 174.94 173.67 1jee s PHE 431 N 2.44 3.16 -0.35 3.97 5.36 -0.23 -4.89 117.98 127.44 1jee s PHE 431 Ca 0.42 -2.03 -0.15 0.00 -0.96 0.00 0.00 56.93 54.21 1jee s PHE 431 Cb -0.16 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1jee s PHE 431 CO 0.12 -0.83 0.32 -1.21 -1.46 0.00 0.00 175.22 172.16 1jee s GLU 432 N 1.19 3.46 0.12 10.12 2.02 -1.26 -4.38 118.70 129.96 1jee s GLU 432 Ca -0.05 -0.56 0.18 0.00 0.02 0.00 0.00 54.97 54.56 1jee s GLU 432 Cb -0.18 -3.83 -0.08 0.00 0.10 0.00 0.00 34.13 30.13 1jee s GLU 432 CO -0.06 -0.54 0.94 1.12 0.02 0.00 0.00 175.26 176.74 1jee h HIS 433 N 8.50 0.00 -5.67 1.61 2.07 -1.95 -3.49 115.15 116.23 1jee h HIS 433 Ca -0.30 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 56.81 1jee h HIS 433 Cb 1.14 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.04 1jee h HIS 433 CO 0.67 0.43 -0.62 0.09 -3.07 0.00 0.00 177.93 175.43 1jee n ASN 434 N -2.87 -3.90 -1.27 3.10 5.03 -1.26 -1.24 115.26 112.85 1jee n ASN 434 Ca -0.06 -0.51 -0.10 0.00 0.87 0.00 0.00 54.58 54.78 1jee n ASN 434 Cb 0.76 -3.20 -0.04 0.00 -1.02 0.00 0.00 39.78 36.28 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 -2.41 -2.60 -4.59 6.41 4.13 -1.26 -4.90 115.26 110.04 1jee n ASN 435 Ca 0.00 0.24 -0.41 0.00 1.68 0.00 0.00 54.58 56.09 1jee n ASN 435 Cb 0.54 -2.55 -0.07 0.00 -1.54 0.00 0.00 39.78 36.16 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 -2.81 3.82 0.60 3.52 1.02 -0.37 -4.93 119.74 120.59 1jee s LYS 436 Ca 0.00 0.21 0.30 0.00 0.02 0.00 0.00 55.97 56.50 1jee s LYS 436 Cb 0.00 -3.76 1.73 0.00 -0.52 0.00 0.00 37.83 35.28 1jee s LYS 436 CO 0.00 -0.63 2.12 1.79 -0.92 0.00 0.00 175.35 177.71 1jee h THR 437 N 5.59 0.42 0.00 2.17 1.35 -1.90 0.53 112.91 121.06 1jee h THR 437 Ca -0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1jee h THR 437 Cb 1.11 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1jee h THR 437 CO 0.81 0.00 -0.01 1.05 -0.25 0.00 0.00 175.52 177.13 1jee h GLU 438 N 0.00 0.00 0.03 4.72 4.11 -1.94 -0.45 114.58 121.05 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 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1jee h GLU 438 CO -0.00 0.01 -2.08 1.28 0.07 0.00 0.00 179.01 178.28 1jee n LEU 439 N -3.11 2.32 -0.23 3.06 4.77 0.17 -4.27 117.00 119.71 1jee n LEU 439 Ca -0.01 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1jee n LEU 439 Cb 0.23 -0.95 0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1jee n LEU 439 CO 0.25 0.65 1.02 -0.07 -1.33 0.00 0.00 177.39 177.91 1jee h LEU 440 N -0.53 0.31 -1.15 2.23 3.38 -1.03 -1.01 115.31 117.50 1jee h LEU 440 Ca -0.52 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1jee h LEU 440 Cb 1.70 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1jee h LEU 440 CO -0.18 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 176.97 1jee n SER 441 N -4.96 0.54 0.09 -0.43 3.41 -0.19 -1.37 113.62 110.71 1jee n SER 441 Ca 0.11 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 1jee n SER 441 Cb 0.31 -0.80 0.10 0.00 -0.26 0.00 0.00 64.21 63.55 1jee n SER 441 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jee h LEU 442 N 0.00 0.00 -0.62 1.04 3.38 -1.36 -3.39 115.31 114.36 1jee h LEU 442 Ca 0.00 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1jee h LEU 442 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1jee h LEU 442 CO 0.00 0.05 0.16 0.40 0.09 0.00 0.00 178.44 179.15 1jee h ILE 443 N 0.00 0.65 0.00 1.22 2.04 -1.24 0.63 117.51 120.82 1jee h ILE 443 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jee h ILE 443 Cb 0.87 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1jee h ILE 443 CO 0.00 0.05 0.00 1.56 0.00 0.00 0.00 178.15 179.76 1jee h GLN 444 N 0.30 0.00 -0.18 2.37 1.08 -1.77 -2.65 115.11 114.25 1jee h GLN 444 Ca 0.33 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.49 1jee h GLN 444 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1jee h GLN 444 CO -0.39 0.00 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.01 1jee h ASP 445 N 0.00 0.35 0.02 1.46 3.45 -1.10 0.11 116.42 120.71 1jee h ASP 445 Ca 0.00 -0.36 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 1jee h ASP 445 Cb 0.63 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1jee h ASP 445 CO 0.00 0.62 -0.01 -0.26 -1.57 0.00 0.00 179.24 178.02 1jee h PHE 446 N 0.07 -0.03 -1.00 4.55 -1.00 -1.29 0.41 116.94 118.65 1jee h PHE 446 Ca 0.05 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.91 1jee h PHE 446 Cb 0.46 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.96 1jee h PHE 446 CO 0.05 0.07 0.64 0.82 -1.61 0.00 0.00 178.31 178.29 1jee h ILE 447 N -0.13 1.04 -0.06 -0.55 2.04 -1.46 0.24 117.51 118.63 1jee h ILE 447 Ca -0.00 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1jee h ILE 447 Cb 0.12 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1jee h ILE 447 CO 0.01 0.21 -0.20 1.23 0.00 0.00 0.00 178.15 179.39 1jee h GLY 448 N 1.13 0.10 0.66 5.37 0.00 -0.18 -0.87 103.07 109.28 1jee h GLY 448 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1jee h GLY 448 CO -0.20 0.06 -0.03 1.44 0.00 0.00 0.00 176.54 177.81 1jee n SER 449 N -4.26 0.49 0.00 0.19 7.64 0.69 -4.91 113.62 113.46 1jee n SER 449 Ca -0.02 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1jee n SER 449 Cb 0.29 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 1.14 0.72 3.85 0.23 0.00 -0.30 -4.96 105.19 105.87 1jee n GLY 450 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.80 5.93 -0.20 1.61 0.01 -0.65 -3.80 113.70 113.81 1jee s SER 451 Ca 0.00 1.52 -0.04 0.00 1.31 0.00 0.00 55.95 58.74 1jee s SER 451 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1jee s SER 451 CO 0.00 -1.07 -0.03 -0.83 0.41 0.00 0.00 173.24 171.72 1jee s GLY 452 N -3.88 1.67 -0.08 3.44 0.00 0.57 -1.42 107.32 107.61 1jee s GLY 452 Ca 0.57 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 1jee s GLY 452 CO 0.52 0.23 -0.03 1.08 0.00 0.00 0.00 173.10 174.89 1jee s LEU 453 N 1.02 3.40 -0.36 0.66 1.43 0.62 -1.66 118.68 123.79 1jee s LEU 453 Ca 0.01 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1jee s LEU 453 Cb -0.15 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.38 1jee s LEU 453 CO 0.01 0.36 0.13 -0.63 0.23 0.00 0.00 176.35 176.45 1jee s ILE 454 N -0.77 3.49 -0.44 -0.59 1.01 0.68 -0.84 121.20 123.73 1jee s ILE 454 Ca 0.12 -1.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 1jee s ILE 454 Cb -0.11 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.29 1jee s ILE 454 CO 0.02 -0.37 0.33 -0.63 0.00 0.00 0.00 174.94 174.29 1jee s ILE 455 N 1.29 4.77 0.11 2.92 1.01 0.33 -1.07 121.20 130.55 1jee s ILE 455 Ca 0.01 -1.18 0.30 0.00 0.00 0.00 0.00 60.65 59.77 1jee s ILE 455 Cb -0.21 -3.86 0.30 0.00 0.01 0.00 0.00 42.46 38.69 1jee s ILE 455 CO -0.01 -0.52 1.90 1.55 0.00 0.00 0.00 174.94 177.87 1jee h PRO 456 N 8.59 0.00 -3.60 2.79 0.13 -1.84 0.22 132.00 138.29 1jee h PRO 456 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1jee h PRO 456 Cb 1.10 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.05 1jee h PRO 456 CO 0.81 0.00 -0.44 -0.80 -0.23 0.00 0.00 178.00 177.34 1jee s ASN 457 N -4.41 0.06 0.78 1.44 -0.87 -1.26 -4.47 114.94 106.21 1jee s ASN 457 Ca -0.03 -0.37 -0.12 0.00 -1.57 0.00 0.00 52.86 50.77 1jee s ASN 457 Cb 0.09 0.26 0.06 0.00 -0.02 0.00 0.00 41.25 41.63 1jee s ASN 457 CO 0.27 -0.51 1.12 -1.10 -2.57 0.00 0.00 177.10 174.31 1jee s GLN 458 N -2.37 2.25 0.04 -0.60 -0.21 -1.26 -4.78 119.66 112.73 1jee s GLN 458 Ca -0.07 0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.72 1jee s GLN 458 Cb -0.02 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1jee s GLN 458 CO -0.03 -1.45 0.03 1.67 -2.12 0.00 0.00 175.29 173.39 1jee s TRP 459 N -3.36 3.10 0.45 0.91 -2.14 -1.26 -4.91 118.94 111.73 1jee s TRP 459 Ca 0.60 0.07 -0.23 0.00 2.66 0.00 0.00 56.10 59.20 1jee s TRP 459 Cb -0.12 -1.63 -0.10 0.00 -3.10 0.00 0.00 33.47 28.52 1jee s TRP 459 CO 0.52 0.49 0.98 0.39 -2.66 0.00 0.00 176.95 176.66 1jee n GLU 460 N 0.94 1.25 0.11 3.25 -0.58 -1.26 -4.75 120.64 119.60 1jee n GLU 460 Ca -0.12 0.45 0.19 0.00 -0.42 0.00 0.00 57.16 57.26 1jee n GLU 460 Cb 0.52 -2.04 0.76 0.00 -0.57 0.00 0.00 31.44 30.11 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 1.34 0.00 0.79 1.62 3.45 -2.01 0.78 116.42 122.39 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 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1jee h ASP 461 CO 0.56 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.33 1jee n ASP 462 N -3.92 0.70 -0.01 6.45 5.68 -1.26 -2.66 116.55 121.53 1jee n ASP 462 Ca 0.06 0.66 0.10 0.00 -0.50 0.00 0.00 54.79 55.11 1jee n ASP 462 Cb 0.51 -0.82 -0.14 0.00 -1.14 0.00 0.00 41.12 39.53 1jee n ASP 462 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jee n LYS 463 N -2.27 0.57 -0.52 0.11 4.76 0.25 -4.57 118.16 116.50 1jee n LYS 463 Ca 0.02 -0.13 0.45 0.00 -2.87 0.00 0.00 58.31 55.78 1jee n LYS 463 Cb 0.25 -1.47 0.77 0.00 -1.84 0.00 0.00 35.03 32.74 1jee n LYS 463 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1jee h ASP 464 N 0.00 0.00 0.95 4.39 3.58 -1.32 0.31 116.42 124.34 1jee h ASP 464 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1jee h ASP 464 Cb 0.80 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1jee h ASP 464 CO 0.00 0.00 -0.33 0.77 -2.88 0.00 0.00 179.24 176.80 1jee h SER 465 N 0.00 0.00 0.89 2.28 4.64 -1.80 -3.01 113.55 116.54 1jee h SER 465 Ca 0.76 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.07 1jee h SER 465 Cb 3.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.22 1jee h SER 465 CO -0.01 0.33 -0.04 0.58 -0.87 0.00 0.00 176.83 176.82 1jee h VAL 466 N 0.00 0.12 -3.34 0.95 2.07 -0.70 -3.43 116.25 111.93 1jee h VAL 466 Ca -0.00 -0.57 -0.62 0.00 0.82 0.00 0.00 66.70 66.32 1jee h VAL 466 Cb 0.89 1.50 -0.17 0.00 -1.52 0.00 0.00 31.29 31.99 1jee h VAL 466 CO 0.04 0.04 -0.58 -0.69 0.02 0.00 0.00 177.57 176.40 1jee s VAL 467 N -3.74 4.65 -0.21 2.57 1.01 -1.14 -4.36 120.40 119.18 1jee s VAL 467 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1jee s VAL 467 Cb 0.10 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1jee s VAL 467 CO 0.55 0.45 1.30 -0.83 0.00 0.00 0.00 175.10 176.57 1jee s GLY 468 N 0.51 1.53 0.65 4.51 0.00 -1.26 -4.90 107.32 108.37 1jee s GLY 468 Ca 0.02 0.36 0.22 0.00 0.00 0.00 0.00 44.72 45.32 1jee s GLY 468 CO 0.01 2.57 1.64 0.07 0.00 0.00 0.00 173.10 177.38 1jee h LYS 469 N 8.72 0.00 -6.22 2.90 -0.00 -1.96 -3.45 116.57 116.55 1jee h LYS 469 Ca -0.27 0.00 -0.67 0.00 -0.00 0.00 0.00 60.65 59.71 1jee h LYS 469 Cb 1.11 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.35 1jee h LYS 469 CO 0.99 0.00 1.00 0.94 -0.00 0.00 0.00 179.45 182.38 1jee n GLN 470 N -2.90 1.71 -2.41 0.07 -0.06 -1.26 -2.53 117.38 110.01 1jee n GLN 470 Ca 0.01 0.63 -0.16 0.00 -2.00 0.00 0.00 57.00 55.48 1jee n GLN 470 Cb 0.64 -2.40 -0.01 0.00 -4.06 0.00 0.00 30.24 24.42 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 5.95 -4.87 -4.28 1.69 5.03 -1.26 -4.87 115.26 112.64 1jee n ASN 471 Ca 0.24 0.10 -0.37 0.00 0.87 0.00 0.00 54.58 55.42 1jee n ASN 471 Cb 0.22 -4.09 -0.13 0.00 -1.02 0.00 0.00 39.78 34.76 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 -2.82 3.66 -0.07 2.41 1.01 -1.05 -0.91 120.40 122.63 1jee s VAL 472 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1jee s VAL 472 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1jee s VAL 472 CO 0.00 -0.02 -0.05 -0.31 0.00 0.00 0.00 175.10 174.72 1jee s TYR 473 N 1.42 2.98 -0.25 5.22 1.51 -0.19 -4.96 117.35 123.07 1jee s TYR 473 Ca -0.00 0.05 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1jee s TYR 473 Cb -0.18 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1jee s TYR 473 CO 0.01 0.36 0.24 -1.17 -1.11 0.00 0.00 175.55 173.89 1jee s LEU 474 N -0.87 4.08 -0.40 -1.29 1.98 -1.26 -0.55 118.68 120.37 1jee s LEU 474 Ca 0.13 0.17 -0.15 0.00 -2.89 0.00 0.00 54.13 51.39 1jee s LEU 474 Cb -0.11 -2.23 0.02 0.00 0.66 0.00 0.00 46.19 44.53 1jee s LEU 474 CO 0.02 -0.03 0.30 -0.22 -1.89 0.00 0.00 176.35 174.53 1jee s LEU 475 N 1.46 5.03 0.19 -0.68 2.96 -0.18 -1.18 118.68 126.27 1jee s LEU 475 Ca 0.10 -0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 52.95 1jee s LEU 475 Cb -0.15 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.43 1jee s LEU 475 CO 0.08 -0.44 0.94 -0.62 -1.32 0.00 0.00 176.35 174.99 1jee s ASP 476 N 1.69 -0.15 0.27 3.68 2.15 -0.89 0.33 116.67 123.75 1jee s ASP 476 Ca 0.06 -0.51 0.24 0.00 0.43 0.00 0.00 52.55 52.76 1jee s ASP 476 Cb -0.19 0.54 0.30 0.00 -0.30 0.00 0.00 42.92 43.27 1jee s ASP 476 CO 0.10 -1.01 1.40 0.71 -0.17 0.00 0.00 175.17 176.20 1jee h THR 477 N 2.00 0.00 -3.74 1.71 1.35 -1.87 0.14 112.91 112.51 1jee h THR 477 Ca -0.24 -0.82 -0.54 0.00 -0.55 0.00 0.00 66.41 64.26 1jee h THR 477 Cb 1.23 1.58 0.20 0.00 -1.73 0.00 0.00 68.15 69.43 1jee h THR 477 CO 0.28 0.00 -0.13 -0.24 -0.25 0.00 0.00 175.52 175.18 1jee n SER 478 N -2.65 -0.52 0.19 5.36 2.88 -1.26 -4.69 113.62 112.93 1jee n SER 478 Ca 0.03 0.49 0.07 0.00 -1.33 0.00 0.00 58.87 58.13 1jee n SER 478 Cb 0.50 -1.35 0.25 0.00 -0.75 0.00 0.00 64.21 62.87 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 -1.10 0.00 -0.24 -3.46 4.64 -1.99 -2.86 113.55 108.53 1jee h SER 479 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jee h SER 479 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1jee h SER 479 CO 0.41 0.32 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 1jee n SER 480 N -3.31 1.74 -4.79 4.97 3.41 -1.26 -4.85 113.62 109.53 1jee n SER 480 Ca 0.01 -2.09 -0.39 0.00 -0.26 0.00 0.00 58.87 56.14 1jee n SER 480 Cb 0.56 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.64 3.49 0.28 7.33 0.00 -1.08 -4.94 121.76 125.20 1jee s ALA 481 Ca 0.18 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.50 1jee s ALA 481 Cb 0.11 -2.86 0.39 0.00 0.00 0.00 0.00 23.12 20.75 1jee s ALA 481 CO 0.10 0.32 1.63 -0.44 0.00 0.00 0.00 175.76 177.37 1jee h ASP 482 N 4.44 0.04 -3.33 0.00 3.32 -1.48 -3.37 116.42 116.04 1jee h ASP 482 Ca -0.48 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 55.94 1jee h ASP 482 Cb 1.21 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1jee h ASP 482 CO 0.65 0.61 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.41 1jee s ILE 483 N -3.71 1.32 -0.08 0.35 1.01 -0.55 -4.95 121.20 114.58 1jee s ILE 483 Ca -0.02 -1.74 -0.28 0.00 0.00 0.00 0.00 60.65 58.62 1jee s ILE 483 Cb 0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1jee s ILE 483 CO 0.76 -0.66 0.91 -1.58 0.00 0.00 0.00 174.94 174.37 1jee s GLN 484 N 1.34 4.44 0.26 2.79 0.74 -1.26 -2.10 119.66 125.87 1jee s GLN 484 Ca 0.11 1.23 -0.06 0.00 0.05 0.00 0.00 55.36 56.68 1jee s GLN 484 Cb -0.18 -3.51 -0.06 0.00 1.10 0.00 0.00 33.01 30.36 1jee s GLN 484 CO -0.19 -0.18 0.54 -0.51 -0.55 0.00 0.00 175.29 174.40 1jee s LEU 485 N 1.55 4.10 0.06 3.68 1.43 0.50 -4.94 118.68 125.07 1jee s LEU 485 Ca 0.45 0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 1jee s LEU 485 Cb -0.19 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.36 1jee s LEU 485 CO 0.20 -0.14 1.48 -0.08 0.23 0.00 0.00 176.35 178.03 1jee h GLU 486 N 2.01 0.32 -3.57 1.70 4.57 -1.94 -3.40 114.58 114.27 1jee h GLU 486 Ca -0.47 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 57.51 1jee h GLU 486 Cb 1.18 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 29.59 1jee h GLU 486 CO 0.68 0.55 -0.33 -1.54 -1.18 0.00 0.00 179.01 177.19 1jee s SER 487 N -5.85 0.01 0.59 1.04 1.04 -1.26 -5.03 113.70 104.24 1jee s SER 487 Ca -0.14 -0.42 0.39 0.00 0.48 0.00 0.00 55.95 56.26 1jee s SER 487 Cb 0.06 0.34 1.92 0.00 0.10 0.00 0.00 66.02 68.44 1jee s SER 487 CO 0.73 -0.65 2.17 0.00 0.98 0.00 0.00 173.24 176.46 1jee h ALA 488 N 3.07 1.00 -0.24 5.32 0.00 -1.89 -2.59 119.26 123.93 1jee h ALA 488 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jee h ALA 488 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jee h ALA 488 CO 0.50 0.00 -0.00 -0.40 0.00 0.00 0.00 179.25 179.35 1jee n ASP 489 N -3.01 3.78 -4.64 0.00 5.75 -1.26 -0.26 116.55 116.91 1jee n ASP 489 Ca -0.01 -3.03 -0.45 0.00 -0.01 0.00 0.00 54.79 51.28 1jee n ASP 489 Cb 0.16 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.58 1.77 -1.75 0.11 2.13 -0.98 -4.86 120.64 116.48 1jee n GLU 490 Ca 0.21 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 58.25 1jee n GLU 490 Cb 0.88 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1jee n GLU 490 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jee n PRO 491 N 1.44 2.46 -0.27 5.31 -0.04 -1.26 -4.73 135.00 137.91 1jee n PRO 491 Ca 0.10 0.87 -0.07 0.00 -0.04 0.00 0.00 63.50 64.36 1jee n PRO 491 Cb 0.31 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 1jee n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jee h ILE 492 N 2.73 0.06 -0.57 0.52 2.04 -1.99 0.21 117.51 120.51 1jee h ILE 492 Ca -0.50 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.53 1jee h ILE 492 Cb 1.26 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1jee h ILE 492 CO 0.63 0.00 0.42 0.77 0.00 0.00 0.00 178.15 179.97 1jee h SER 493 N -0.14 0.00 -0.06 1.72 4.64 -1.99 0.62 113.55 118.34 1jee h SER 493 Ca 0.22 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 1jee h SER 493 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1jee h SER 493 CO -0.79 0.00 -0.54 0.45 -0.87 0.00 0.00 176.83 175.08 1jee h HIS 494 N 0.00 0.66 -0.73 4.77 3.86 -0.99 -2.26 115.15 120.46 1jee h HIS 494 Ca 0.27 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1jee h HIS 494 Cb 1.10 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 1jee h HIS 494 CO 0.00 1.11 0.42 0.82 0.86 0.00 0.00 177.93 181.14 1jee h ILE 495 N 0.02 1.22 -0.40 2.45 2.04 -0.01 -1.64 117.51 121.20 1jee h ILE 495 Ca -0.05 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1jee h ILE 495 Cb 1.21 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1jee h ILE 495 CO 0.11 0.24 0.26 0.58 0.00 0.00 0.00 178.15 179.34 1jee h VAL 496 N 1.01 1.10 -0.55 1.67 2.07 0.19 -0.18 116.25 121.55 1jee h VAL 496 Ca 0.26 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1jee h VAL 496 Cb 0.01 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1jee h VAL 496 CO -0.04 0.10 0.17 -0.61 0.02 0.00 0.00 177.57 177.21 1jee h GLN 497 N 0.54 0.86 -0.29 1.57 4.15 -1.12 -0.03 115.11 120.79 1jee h GLN 497 Ca 0.15 -0.18 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1jee h GLN 497 Cb -0.06 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 1jee h GLN 497 CO -0.03 0.78 -0.00 0.87 -1.93 0.00 0.00 178.83 178.52 1jee h LYS 498 N 0.77 0.08 -0.23 1.69 1.57 -0.80 0.33 116.57 119.99 1jee h LYS 498 Ca 0.18 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1jee h LYS 498 Cb 0.28 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1jee h LYS 498 CO -0.01 0.05 0.10 0.28 -0.57 0.00 0.00 179.45 179.31 1jee h VAL 499 N 0.09 1.16 -0.23 0.50 2.07 -0.56 -1.65 116.25 117.63 1jee h VAL 499 Ca 0.14 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jee h VAL 499 Cb 0.18 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1jee h VAL 499 CO -0.24 0.16 0.15 0.58 0.02 0.00 0.00 177.57 178.24 1jee h VAL 500 N 0.22 1.07 0.00 2.57 2.07 -0.77 -1.00 116.25 120.41 1jee h VAL 500 Ca 0.08 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1jee h VAL 500 Cb 0.16 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1jee h VAL 500 CO -0.01 0.07 -0.27 -0.07 0.02 0.00 0.00 177.57 177.31 1jee h LEU 501 N 0.30 0.00 -0.11 2.57 3.38 -0.90 0.59 115.31 121.15 1jee h LEU 501 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1jee h LEU 501 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jee h LEU 501 CO -0.02 0.27 -0.17 0.15 0.09 0.00 0.00 178.44 178.77 1jee h PHE 502 N 0.00 0.38 -0.08 1.13 3.57 -0.87 -0.25 116.94 120.82 1jee h PHE 502 Ca -0.00 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 1jee h PHE 502 Cb 0.59 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1jee h PHE 502 CO 0.00 0.77 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.52 1jee h LEU 503 N -0.12 0.14 -0.20 0.59 3.38 -0.91 -1.68 115.31 116.51 1jee h LEU 503 Ca 0.01 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1jee h LEU 503 Cb 0.74 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jee h LEU 503 CO 0.04 0.41 -0.57 -0.08 0.09 0.00 0.00 178.44 178.33 1jee h GLU 504 N 0.13 0.73 -0.29 1.13 4.22 -0.77 -1.45 114.58 118.28 1jee h GLU 504 Ca 0.02 -0.52 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 1jee h GLU 504 Cb 0.54 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1jee h GLU 504 CO 0.04 1.15 0.13 0.22 -2.18 0.00 0.00 179.01 178.36 1jee h ASP 505 N 0.45 0.35 -0.54 1.04 -0.00 -0.53 -2.11 116.42 115.09 1jee h ASP 505 Ca -0.02 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.03 56.83 1jee h ASP 505 Cb 1.19 -0.09 -0.09 0.00 -0.00 0.00 0.00 39.33 40.34 1jee h ASP 505 CO 0.12 0.32 0.20 0.59 -0.00 0.00 0.00 179.24 180.47 1jee n ASN 506 N -4.43 4.05 0.00 2.28 4.13 -0.68 -4.93 115.26 115.68 1jee n ASN 506 Ca 0.01 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.40 1jee n ASN 506 Cb 0.12 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 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 -0.02 0.73 0.20 7.41 0.00 -0.79 -4.87 105.19 107.84 1jee n GLY 507 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.48 1.61 -1.00 -1.46 -1.62 116.94 109.98 1jee h PHE 508 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 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 0.30 -0.88 -0.06 -1.61 0.00 0.00 178.31 176.06 1jee s PHE 509 N -4.31 2.15 -0.04 -0.55 0.08 -1.22 -4.26 117.98 109.82 1jee s PHE 509 Ca -0.03 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 1jee s PHE 509 Cb 0.15 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1jee s PHE 509 CO 0.71 -0.05 -0.00 0.08 -0.10 0.00 0.00 175.22 175.85 1jee s VAL 510 N -0.51 0.27 -0.68 -0.44 1.01 -1.26 -4.63 120.40 114.16 1jee s VAL 510 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1jee s VAL 510 Cb -0.10 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1jee s VAL 510 CO -0.00 0.19 0.67 0.49 0.00 0.00 0.00 175.10 176.45