#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jec s ALA 3 N 0.00 2.62 0.70 3.55 0.00 -1.26 -4.82 121.76 122.55 1jec s ALA 3 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 1jec s ALA 3 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1jec s ALA 3 CO 0.00 -0.93 1.13 -2.30 0.00 0.00 0.00 175.76 173.66 1jec n PRO 4 N -1.56 0.73 -1.74 0.00 -0.02 -1.26 -4.80 135.00 126.34 1jec n PRO 4 Ca 0.12 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1jec n PRO 4 Cb 0.51 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1jec n PRO 4 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jec s HIS 5 N -1.67 1.42 0.00 6.00 2.46 -1.26 0.55 115.29 122.79 1jec s HIS 5 Ca 0.77 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.11 1jec s HIS 5 Cb -0.36 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 27.95 1jec s HIS 5 CO 0.46 -4.99 0.00 0.41 -2.47 0.00 0.00 174.74 168.15 1jec n GLY 6 N 4.62 0.21 1.61 1.59 0.00 -1.26 -2.53 105.19 109.42 1jec n GLY 6 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1jec n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jec n GLY 7 N -1.93 2.82 2.99 -0.02 0.00 0.19 -5.01 105.19 104.24 1jec n GLY 7 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1jec n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jec s ILE 8 N -2.21 0.87 -0.43 -0.61 1.01 -1.26 -4.56 121.20 114.02 1jec s ILE 8 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.00 1jec s ILE 8 Cb 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1jec s ILE 8 CO 0.00 0.29 1.36 -0.22 0.00 0.00 0.00 174.94 176.37 1jec s LEU 9 N 0.50 3.59 -1.55 2.97 2.96 -1.26 -4.77 118.68 121.12 1jec s LEU 9 Ca -0.09 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.47 1jec s LEU 9 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1jec s LEU 9 CO 0.02 -1.41 2.71 0.00 -1.32 0.00 0.00 176.35 176.35 1jec n GLN 10 N 8.05 3.63 -2.50 1.98 1.13 -1.26 -4.86 117.38 123.54 1jec n GLN 10 Ca 0.16 -2.48 -0.40 0.00 -1.94 0.00 0.00 57.00 52.34 1jec n GLN 10 Cb 0.48 -2.89 -0.03 0.00 0.11 0.00 0.00 30.24 27.91 1jec n GLN 10 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jec s ASP 11 N 2.13 6.26 0.46 1.08 -1.08 -1.26 -2.81 116.67 121.45 1jec s ASP 11 Ca 0.62 -1.02 0.25 0.00 -0.52 0.00 0.00 52.55 51.88 1jec s ASP 11 Cb 0.17 -2.56 1.01 0.00 -1.46 0.00 0.00 42.92 40.07 1jec s ASP 11 CO -0.07 -1.73 1.86 -0.07 0.52 0.00 0.00 175.17 175.69 1jec h LEU 12 N 13.34 0.00 -0.29 -1.34 3.38 -1.38 -0.60 115.31 128.42 1jec h LEU 12 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1jec h LEU 12 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1jec h LEU 12 CO 1.36 0.19 0.12 0.40 0.09 0.00 0.00 178.44 180.60 1jec h ILE 13 N 0.00 1.17 -0.15 1.22 1.08 -1.84 -0.30 117.51 118.69 1jec h ILE 13 Ca -0.00 -0.52 -0.21 0.00 -0.39 0.00 0.00 64.86 63.74 1jec h ILE 13 Cb 0.69 0.98 0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1jec h ILE 13 CO 0.02 0.18 -0.71 0.00 -0.69 0.00 0.00 178.15 176.95 1jec h ALA 14 N 0.97 0.29 -0.53 1.87 0.00 -1.81 -2.40 119.26 117.65 1jec h ALA 14 Ca 0.10 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1jec h ALA 14 Cb 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1jec h ALA 14 CO -0.01 0.62 0.27 -0.09 0.00 0.00 0.00 179.25 180.05 1jec h ARG 15 N 0.47 0.51 -0.63 0.00 2.43 -0.96 -2.82 114.38 113.39 1jec h ARG 15 Ca -0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1jec h ARG 15 Cb 1.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1jec h ARG 15 CO 0.15 0.34 0.00 -0.25 -1.51 0.00 0.00 179.97 178.70 1jec n ASP 16 N -4.87 3.88 -0.31 -3.80 10.43 -0.13 -4.62 116.55 117.12 1jec n ASP 16 Ca 0.05 -2.34 0.15 0.00 2.57 0.00 0.00 54.79 55.22 1jec n ASP 16 Cb 0.14 -0.51 0.34 0.00 1.84 0.00 0.00 41.12 42.93 1jec n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jec h ALA 17 N 3.85 1.53 -0.09 2.24 0.00 -1.16 -0.26 119.26 125.38 1jec h ALA 17 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jec h ALA 17 Cb 1.19 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jec h ALA 17 CO 0.18 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1jec n LEU 18 N -5.06 0.69 -0.06 0.00 4.77 -1.26 -3.11 117.00 112.97 1jec n LEU 18 Ca 0.24 -0.30 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1jec n LEU 18 Cb 0.72 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 1jec n LEU 18 CO 0.12 0.15 0.42 0.29 -1.33 0.00 0.00 177.39 177.04 1jec n LYS 19 N -0.28 1.59 -0.12 3.23 5.02 -0.13 -4.78 118.16 122.69 1jec n LYS 19 Ca 0.12 -1.20 -0.06 0.00 -2.02 0.00 0.00 58.31 55.15 1jec n LYS 19 Cb 0.16 -1.03 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1jec n LYS 19 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jec h LYS 20 N 0.23 0.34 -0.53 1.97 3.64 -1.43 0.29 116.57 121.08 1jec h LYS 20 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1jec h LYS 20 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1jec h LYS 20 CO 0.00 0.22 0.04 -0.91 -2.27 0.00 0.00 179.45 176.54 1jec h ASN 21 N 0.35 0.89 -0.15 4.20 -0.26 -1.86 0.92 115.58 119.66 1jec h ASN 21 Ca 0.17 -0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1jec h ASN 21 Cb 0.11 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1jec h ASN 21 CO -0.15 0.95 0.05 -0.33 -1.06 0.00 0.00 177.43 176.90 1jec h GLU 22 N 0.79 0.23 -0.54 0.81 3.07 -1.80 0.38 114.58 117.52 1jec h GLU 22 Ca 0.16 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1jec h GLU 22 Cb 0.47 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1jec h GLU 22 CO 0.02 0.34 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.82 1jec h LEU 23 N 0.07 0.98 -0.72 1.33 3.38 -0.38 -1.33 115.31 118.65 1jec h LEU 23 Ca 0.05 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1jec h LEU 23 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1jec h LEU 23 CO -0.00 1.08 0.30 0.25 0.09 0.00 0.00 178.44 180.16 1jec h LEU 24 N 0.89 0.98 -0.71 1.67 5.85 -0.62 -0.63 115.31 122.73 1jec h LEU 24 Ca 0.15 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1jec h LEU 24 Cb 0.63 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1jec h LEU 24 CO 0.04 0.87 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.65 1jec h SER 25 N 1.02 0.89 -0.55 1.25 0.87 -0.63 -2.42 113.55 113.98 1jec h SER 25 Ca 0.24 -0.27 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 1jec h SER 25 Cb 0.19 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1jec h SER 25 CO -0.02 1.00 -0.05 -0.08 -0.53 0.00 0.00 176.83 177.15 1jec h GLU 26 N 0.81 1.00 0.00 2.24 4.81 -0.79 -2.29 114.58 120.36 1jec h GLU 26 Ca 0.14 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1jec h GLU 26 Cb 0.61 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jec h GLU 26 CO 0.04 1.03 -0.14 0.00 -0.73 0.00 0.00 179.01 179.21 1jec h ALA 27 N 0.94 1.61 -0.44 2.92 0.00 -0.97 -1.63 119.26 121.69 1jec h ALA 27 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jec h ALA 27 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jec h ALA 27 CO 0.04 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.50 1jec n GLN 28 N -4.13 2.34 -1.08 0.00 6.02 -0.93 -4.94 117.38 114.65 1jec n GLN 28 Ca -0.02 -2.04 -0.31 0.00 -0.01 0.00 0.00 57.00 54.61 1jec n GLN 28 Cb 0.21 -1.48 0.12 0.00 1.02 0.00 0.00 30.24 30.11 1jec n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jec s SER 29 N -1.31 3.90 0.11 1.08 1.04 -0.62 -4.95 113.70 112.95 1jec s SER 29 Ca 0.38 2.01 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 1jec s SER 29 Cb 0.21 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.63 1jec s SER 29 CO 0.29 -2.45 1.24 0.28 0.98 0.00 0.00 173.24 173.59 1jec h SER 30 N -1.30 0.51 1.38 7.02 0.02 -1.92 -3.32 113.55 115.94 1jec h SER 30 Ca -0.44 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1jec h SER 30 Cb 1.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1jec h SER 30 CO 0.48 1.28 -0.16 0.44 -1.14 0.00 0.00 176.83 177.72 1jec h ASP 31 N 0.18 0.00 -3.73 3.07 3.45 -1.94 -3.47 116.42 113.97 1jec h ASP 31 Ca -0.10 -0.05 -0.51 0.00 0.43 0.00 0.00 57.03 56.80 1jec h ASP 31 Cb 1.72 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.50 1jec h ASP 31 CO 0.18 0.02 0.48 -0.51 -1.57 0.00 0.00 179.24 177.84 1jec s ILE 32 N -3.13 3.59 -0.09 0.35 2.07 -1.25 -4.99 121.20 117.74 1jec s ILE 32 Ca 0.09 1.53 -0.30 0.00 -1.41 0.00 0.00 60.65 60.57 1jec s ILE 32 Cb 0.12 -3.98 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 1jec s ILE 32 CO 0.64 0.34 1.07 -0.22 -1.91 0.00 0.00 174.94 174.86 1jec s LEU 33 N -1.13 4.25 -0.02 8.50 2.96 -1.26 -4.91 118.68 127.06 1jec s LEU 33 Ca 0.46 1.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.98 1jec s LEU 33 Cb -0.31 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 1jec s LEU 33 CO 0.39 -0.50 0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 1jec s VAL 34 N 2.12 4.71 -0.08 1.68 1.01 -1.26 -1.38 120.40 127.20 1jec s VAL 34 Ca 0.51 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1jec s VAL 34 Cb -0.20 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1jec s VAL 34 CO 0.19 0.40 -0.14 0.86 0.00 0.00 0.00 175.10 176.41 1jec s TRP 35 N -1.14 1.68 -0.25 5.22 -0.11 -0.08 -4.95 118.94 119.31 1jec s TRP 35 Ca 0.21 -0.66 -0.19 0.00 1.22 0.00 0.00 56.10 56.68 1jec s TRP 35 Cb -0.12 -1.21 -0.02 0.00 -1.50 0.00 0.00 33.47 30.62 1jec s TRP 35 CO 0.12 -0.32 0.56 1.21 -4.62 0.00 0.00 176.95 173.90 1jec s ASN 36 N 0.66 6.50 0.22 5.86 3.84 -1.26 -1.68 114.94 129.08 1jec s ASN 36 Ca -0.14 0.61 -0.30 0.00 0.21 0.00 0.00 52.86 53.24 1jec s ASN 36 Cb -0.16 -2.31 -0.09 0.00 -0.55 0.00 0.00 41.25 38.14 1jec s ASN 36 CO 0.04 -0.31 1.39 -0.76 -2.79 0.00 0.00 177.10 174.66 1jec s LEU 37 N 2.34 4.40 0.73 3.21 1.43 -0.56 -4.96 118.68 125.26 1jec s LEU 37 Ca 0.23 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 1jec s LEU 37 Cb -0.16 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1jec s LEU 37 CO 0.09 -0.63 1.07 0.42 0.23 0.00 0.00 176.35 177.53 1jec s THR 38 N 0.11 3.70 0.41 5.49 -4.23 -1.26 -4.75 115.64 115.11 1jec s THR 38 Ca 0.59 0.55 0.13 0.00 -1.18 0.00 0.00 61.69 61.78 1jec s THR 38 Cb -0.40 -3.31 0.33 0.00 1.34 0.00 0.00 72.50 70.47 1jec s THR 38 CO 0.40 -0.72 1.94 1.55 -0.54 0.00 0.00 174.62 177.25 1jec h PRO 39 N -0.83 0.49 -0.17 3.99 0.13 -2.00 -1.03 132.00 132.57 1jec h PRO 39 Ca -0.45 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1jec h PRO 39 Cb 1.23 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jec h PRO 39 CO 0.58 0.32 -0.60 -0.09 -0.23 0.00 0.00 178.00 177.99 1jec h ARG 40 N 0.50 0.56 0.00 0.86 2.43 -2.00 -2.96 114.38 113.77 1jec h ARG 40 Ca 0.34 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1jec h ARG 40 Cb 0.62 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1jec h ARG 40 CO -0.11 0.99 -0.19 1.96 -1.51 0.00 0.00 179.97 181.11 1jec h GLN 41 N 0.42 0.00 -0.23 0.20 4.20 -1.58 -1.06 115.11 117.06 1jec h GLN 41 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1jec h GLN 41 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1jec h GLN 41 CO 0.11 0.19 -0.60 -0.07 -0.67 0.00 0.00 178.83 177.79 1jec h LEU 42 N 0.00 0.87 -0.18 1.46 3.38 -1.18 0.24 115.31 119.91 1jec h LEU 42 Ca -0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1jec h LEU 42 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jec h LEU 42 CO 0.02 1.27 0.10 0.00 0.09 0.00 0.00 178.44 179.93 1jec h ASP 44 N 0.20 0.58 0.42 0.00 3.45 -1.12 -3.11 116.42 116.86 1jec h ASP 44 Ca 0.06 -0.28 -0.07 0.00 0.43 0.00 0.00 57.03 57.17 1jec h ASP 44 Cb 0.03 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1jec h ASP 44 CO -0.01 0.72 -0.34 -0.29 -1.57 0.00 0.00 179.24 177.74 1jec h ILE 45 N 0.43 1.14 -0.40 0.35 2.10 -0.92 -1.04 117.51 119.17 1jec h ILE 45 Ca 0.11 -1.22 -0.12 0.00 1.08 0.00 0.00 64.86 64.71 1jec h ILE 45 Cb 0.39 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 1jec h ILE 45 CO 0.01 0.34 -0.22 -0.08 -1.08 0.00 0.00 178.15 177.12 1jec h GLU 46 N 0.00 0.81 0.00 2.19 4.81 -1.36 0.55 114.58 121.58 1jec h GLU 46 Ca -0.00 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1jec h GLU 46 Cb 0.65 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1jec h GLU 46 CO 0.04 0.95 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.69 1jec h LEU 47 N 0.70 0.00 0.00 1.64 -0.00 -1.37 -1.45 115.31 114.83 1jec h LEU 47 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1jec h LEU 47 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1jec h LEU 47 CO 0.06 0.52 -0.03 0.40 -0.00 0.00 0.00 178.44 179.39 1jec h ILE 48 N 0.00 1.67 -0.35 1.22 2.04 -0.88 0.26 117.51 121.46 1jec h ILE 48 Ca -0.01 -2.00 -0.03 0.00 1.00 0.00 0.00 64.86 63.82 1jec h ILE 48 Cb 1.15 3.02 -0.02 0.00 -0.74 0.00 0.00 36.82 40.23 1jec h ILE 48 CO 0.07 0.52 0.09 -0.07 0.00 0.00 0.00 178.15 178.76 1jec h LEU 49 N -0.82 0.47 -1.77 1.44 3.38 -0.92 -2.68 115.31 114.41 1jec h LEU 49 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jec h LEU 49 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1jec h LEU 49 CO 0.01 0.47 0.00 -0.46 0.09 0.00 0.00 178.44 178.55 1jec n ASN 50 N -4.35 2.60 0.00 -0.43 0.23 -0.55 -1.10 115.26 111.66 1jec n ASN 50 Ca 0.02 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1jec n ASN 50 Cb 0.18 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1jec n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jec n GLY 51 N 1.30 0.88 0.30 4.83 0.00 -1.01 -4.15 105.19 107.34 1jec n GLY 51 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1jec n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jec h GLY 52 N 0.00 0.00 -2.67 -0.02 0.00 -0.85 -1.50 103.07 98.02 1jec h GLY 52 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1jec h GLY 52 CO 0.00 0.00 0.09 0.69 0.00 0.00 0.00 176.54 177.32 1jec n PHE 53 N -4.12 1.67 -1.54 5.60 3.72 0.21 -4.57 117.46 118.43 1jec n PHE 53 Ca -0.01 -1.09 -0.46 0.00 -0.05 0.00 0.00 57.45 55.85 1jec n PHE 53 Cb 0.20 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 1jec n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jec n SER 54 N -0.34 0.58 -0.24 4.37 7.64 -0.57 -0.43 113.62 124.63 1jec n SER 54 Ca 0.31 1.16 0.08 0.00 1.01 0.00 0.00 58.87 61.43 1jec n SER 54 Cb 1.14 -1.19 0.37 0.00 -1.01 0.00 0.00 64.21 63.52 1jec n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jec n PRO 55 N 0.88 1.31 -1.70 1.43 -0.04 -1.05 -4.41 135.00 131.41 1jec n PRO 55 Ca 0.12 -0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 62.70 1jec n PRO 55 Cb 0.29 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1jec n PRO 55 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jec n LEU 56 N -0.26 4.09 -0.39 1.53 4.32 0.43 -4.88 117.00 121.84 1jec n LEU 56 Ca 0.12 1.11 0.02 0.00 -0.02 0.00 0.00 56.01 57.24 1jec n LEU 56 Cb 0.16 -1.51 0.03 0.00 -1.62 0.00 0.00 43.42 40.48 1jec n LEU 56 CO 0.09 -0.62 0.32 0.35 -1.22 0.00 0.00 177.39 176.31 1jec n THR 57 N -0.21 0.40 -2.03 -5.08 -2.24 -1.26 -4.85 114.28 99.01 1jec n THR 57 Ca 0.06 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1jec n THR 57 Cb 0.40 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1jec n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jec n GLY 58 N -0.30 -1.40 3.80 3.38 0.00 -1.26 -0.82 105.19 108.58 1jec n GLY 58 Ca 0.03 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1jec n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jec s PHE 59 N -2.62 3.72 0.24 1.61 0.40 -0.63 -4.93 117.98 115.77 1jec s PHE 59 Ca 0.00 1.47 -0.31 0.00 -0.60 0.00 0.00 56.93 57.49 1jec s PHE 59 Cb 0.00 -2.67 -0.11 0.00 0.51 0.00 0.00 43.02 40.75 1jec s PHE 59 CO 0.00 0.38 1.56 -0.51 0.70 0.00 0.00 175.22 177.35 1jec s LEU 60 N -1.73 4.37 0.95 -0.37 1.43 -0.19 -1.72 118.68 121.41 1jec s LEU 60 Ca 0.41 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 56.13 1jec s LEU 60 Cb -0.18 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.61 1jec s LEU 60 CO 0.22 -0.83 1.31 0.54 0.23 0.00 0.00 176.35 177.82 1jec s ASN 61 N 0.70 3.19 0.30 2.29 2.20 -1.26 -4.12 114.94 118.24 1jec s ASN 61 Ca 0.65 0.24 0.03 0.00 -0.94 0.00 0.00 52.86 52.84 1jec s ASN 61 Cb -0.45 -0.30 0.50 0.00 -2.00 0.00 0.00 41.25 39.00 1jec s ASN 61 CO 0.40 -2.68 1.79 -0.08 -2.94 0.00 0.00 177.10 173.58 1jec h GLU 62 N -1.58 0.49 0.03 3.55 4.81 -1.94 -0.88 114.58 119.05 1jec h GLU 62 Ca -0.44 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1jec h GLU 62 Cb 1.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1jec h GLU 62 CO 0.38 0.63 -0.09 -0.97 -0.73 0.00 0.00 179.01 178.23 1jec h ASN 63 N 0.45 -0.26 -0.20 1.04 -0.00 -2.00 -0.12 115.58 114.49 1jec h ASN 63 Ca 0.08 0.04 -0.08 0.00 -0.00 0.00 0.00 56.30 56.33 1jec h ASN 63 Cb 0.53 0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.95 1jec h ASN 63 CO 0.03 -0.14 -0.20 0.44 -0.00 0.00 0.00 177.43 177.56 1jec h ASP 64 N -0.18 0.53 -0.57 1.15 3.45 -1.92 -3.12 116.42 115.76 1jec h ASP 64 Ca 0.03 -0.48 0.07 0.00 0.43 0.00 0.00 57.03 57.08 1jec h ASP 64 Cb 0.21 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.77 1jec h ASP 64 CO -0.07 0.90 0.25 0.22 -1.57 0.00 0.00 179.24 178.96 1jec h TYR 65 N 0.16 0.45 -0.73 4.55 3.20 -1.05 -0.51 116.97 123.04 1jec h TYR 65 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1jec h TYR 65 Cb 0.75 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1jec h TYR 65 CO 0.08 0.17 0.36 0.77 -1.64 0.00 0.00 178.16 177.90 1jec h SER 66 N 0.47 0.95 -0.18 -2.11 0.02 -1.07 0.30 113.55 111.94 1jec h SER 66 Ca 0.27 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1jec h SER 66 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1jec h SER 66 CO -0.23 0.81 -0.14 0.28 -1.14 0.00 0.00 176.83 176.41 1jec h SER 67 N 1.02 0.55 -0.43 3.07 0.02 -1.31 -1.92 113.55 114.55 1jec h SER 67 Ca 0.25 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1jec h SER 67 Cb 0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1jec h SER 67 CO -0.03 0.71 -0.26 0.58 -1.14 0.00 0.00 176.83 176.68 1jec h VAL 68 N 0.51 1.27 -0.28 2.27 2.07 0.48 0.56 116.25 123.14 1jec h VAL 68 Ca 0.09 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1jec h VAL 68 Cb 0.54 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1jec h VAL 68 CO 0.03 0.48 0.15 0.58 0.02 0.00 0.00 177.57 178.84 1jec h VAL 69 N 0.76 1.13 0.01 2.57 2.07 -0.45 -2.27 116.25 120.08 1jec h VAL 69 Ca 0.09 -0.35 -0.38 0.00 0.82 0.00 0.00 66.70 66.87 1jec h VAL 69 Cb 0.84 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1jec h VAL 69 CO 0.07 0.13 -2.39 0.35 0.02 0.00 0.00 177.57 175.75 1jec n THR 70 N -4.82 1.50 1.01 2.57 -2.24 -0.77 -4.47 114.28 107.07 1jec n THR 70 Ca -0.02 -0.64 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1jec n THR 70 Cb 0.08 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.03 1jec n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jec n ASP 71 N -3.18 1.04 -1.59 3.42 9.92 0.18 -4.96 116.55 121.38 1jec n ASP 71 Ca -0.41 -0.93 -0.16 0.00 -0.53 0.00 0.00 54.79 52.76 1jec n ASP 71 Cb 1.03 0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 42.27 1jec n ASP 71 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jec n SER 72 N -1.30 -4.73 -3.92 -2.24 7.64 -0.28 -4.94 113.62 103.85 1jec n SER 72 Ca 0.05 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 1jec n SER 72 Cb 0.35 -3.78 -0.07 0.00 -1.01 0.00 0.00 64.21 59.69 1jec n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jec s ARG 73 N -4.31 0.96 0.62 1.43 0.52 -1.06 -1.49 118.95 115.62 1jec s ARG 73 Ca 0.00 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 1jec s ARG 73 Cb 0.00 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 1jec s ARG 73 CO 0.00 -0.32 1.03 -0.51 0.02 0.00 0.00 175.30 175.52 1jec s LEU 74 N -2.91 3.25 0.62 2.53 1.43 -0.23 -1.12 118.68 122.25 1jec s LEU 74 Ca 0.11 1.46 0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1jec s LEU 74 Cb 0.05 -4.48 1.50 0.00 0.03 0.00 0.00 46.19 43.29 1jec s LEU 74 CO -0.06 -0.93 1.89 0.00 0.23 0.00 0.00 176.35 177.49 1jec h ALA 75 N -0.27 1.86 -0.04 4.21 0.00 -1.81 0.72 119.26 123.93 1jec h ALA 75 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jec h ALA 75 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jec h ALA 75 CO 0.61 -0.57 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 1jec n ASP 76 N -3.39 0.94 0.00 0.00 3.85 -1.26 -4.89 116.55 111.79 1jec n ASP 76 Ca 0.04 -1.40 0.00 0.00 -0.71 0.00 0.00 54.79 52.72 1jec n ASP 76 Cb 0.56 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1jec n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jec n GLY 77 N 1.07 0.73 3.70 6.12 0.00 0.25 -5.04 105.19 112.02 1jec n GLY 77 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jec n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jec s THR 78 N -2.61 3.81 0.06 2.61 2.01 -1.24 -4.74 115.64 115.54 1jec s THR 78 Ca 0.00 1.25 -0.34 0.00 0.31 0.00 0.00 61.69 62.92 1jec s THR 78 Cb 0.00 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 1jec s THR 78 CO 0.00 0.05 1.73 -0.11 -0.69 0.00 0.00 174.62 175.60 1jec n LEU 79 N 4.56 3.35 -3.15 4.42 7.94 -1.26 -1.06 117.00 131.79 1jec n LEU 79 Ca 0.11 1.03 0.04 0.00 -1.11 0.00 0.00 56.01 56.08 1jec n LEU 79 Cb 0.45 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 42.97 1jec n LEU 79 CO 0.57 -0.14 0.23 0.86 -1.11 0.00 0.00 177.39 177.80 1jec s TRP 80 N 2.38 -1.43 -0.74 1.96 -0.11 -0.55 -4.84 118.94 115.60 1jec s TRP 80 Ca 0.85 1.32 0.23 0.00 1.22 0.00 0.00 56.10 59.72 1jec s TRP 80 Cb -0.66 0.43 0.17 0.00 -1.50 0.00 0.00 33.47 31.91 1jec s TRP 80 CO 0.43 -0.80 1.15 0.25 -4.62 0.00 0.00 176.95 173.36 1jec n THR 81 N 5.42 0.14 -4.18 5.86 -2.24 -1.25 -3.06 114.28 114.96 1jec n THR 81 Ca -0.00 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 1jec n THR 81 Cb 0.52 0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 1jec n THR 81 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jec s ILE 82 N -3.13 1.75 0.08 2.28 -1.09 -1.26 -4.91 121.20 114.92 1jec s ILE 82 Ca 0.06 -0.75 -0.31 0.00 -2.23 0.00 0.00 60.65 57.42 1jec s ILE 82 Cb 0.15 -1.60 -0.07 0.00 -1.58 0.00 0.00 42.46 39.36 1jec s ILE 82 CO 0.77 0.49 1.34 -2.16 -1.23 0.00 0.00 174.94 174.15 1jec s PRO 83 N 1.29 4.34 -0.34 2.79 0.04 -1.26 -4.99 135.00 136.87 1jec s PRO 83 Ca 0.02 1.98 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 1jec s PRO 83 Cb -0.13 -3.32 0.07 0.00 0.04 0.00 0.00 34.50 31.15 1jec s PRO 83 CO -0.09 -0.41 0.07 0.42 0.04 0.00 0.00 177.00 177.03 1jec s ILE 84 N 1.30 3.11 0.19 0.56 1.09 -1.26 -5.08 121.20 121.10 1jec s ILE 84 Ca 0.63 -1.60 0.06 0.00 -1.10 0.00 0.00 60.65 58.64 1jec s ILE 84 Cb -0.34 -2.91 -0.05 0.00 -1.06 0.00 0.00 42.46 38.10 1jec s ILE 84 CO 0.29 -0.30 -0.11 0.42 -0.10 0.00 0.00 174.94 175.14 1jec s THR 85 N 1.22 1.44 -0.54 2.92 -4.23 -1.26 -1.02 115.64 114.17 1jec s THR 85 Ca -0.00 -2.13 -0.16 0.00 -1.18 0.00 0.00 61.69 58.21 1jec s THR 85 Cb -0.21 -2.01 0.12 0.00 1.34 0.00 0.00 72.50 71.75 1jec s THR 85 CO -0.02 -0.62 0.50 -0.22 -0.54 0.00 0.00 174.62 173.72 1jec s LEU 86 N -3.26 6.06 -0.20 4.79 2.96 -1.25 -4.97 118.68 122.81 1jec s LEU 86 Ca 0.21 -1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.19 1jec s LEU 86 Cb 0.01 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1jec s LEU 86 CO 0.05 -0.86 0.73 1.51 -1.32 0.00 0.00 176.35 176.46 1jec s ASP 87 N 3.48 6.80 0.27 3.68 1.47 -1.26 -0.77 116.67 130.34 1jec s ASP 87 Ca 0.04 0.98 0.04 0.00 1.18 0.00 0.00 52.55 54.79 1jec s ASP 87 Cb -0.29 -2.40 -0.06 0.00 -0.34 0.00 0.00 42.92 39.84 1jec s ASP 87 CO 0.04 -0.36 -0.00 0.68 0.68 0.00 0.00 175.17 176.21 1jec s VAL 88 N 2.15 1.24 0.57 2.11 -7.23 0.83 -4.18 120.40 115.90 1jec s VAL 88 Ca 0.33 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1jec s VAL 88 Cb -0.16 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 1jec s VAL 88 CO 0.11 -0.24 0.89 1.51 -0.31 0.00 0.00 175.10 177.06 1jec s ASP 89 N -3.39 5.78 0.21 4.85 3.84 -1.26 -1.43 116.67 125.27 1jec s ASP 89 Ca 0.31 0.83 -0.09 0.00 -0.00 0.00 0.00 52.55 53.59 1jec s ASP 89 Cb 0.06 -1.89 0.29 0.00 -1.38 0.00 0.00 42.92 40.00 1jec s ASP 89 CO 0.11 -0.95 1.74 -0.08 -0.00 0.00 0.00 175.17 175.99 1jec h GLU 90 N -0.11 0.37 -0.92 2.11 4.81 -1.96 -1.57 114.58 117.31 1jec h GLU 90 Ca -0.46 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.95 1jec h GLU 90 Cb 1.24 -0.08 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 1jec h GLU 90 CO 0.61 0.25 0.48 0.00 -0.73 0.00 0.00 179.01 179.62 1jec h ALA 91 N 1.43 1.49 0.18 2.92 0.00 -2.00 -0.52 119.26 122.76 1jec h ALA 91 Ca 0.31 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 55.08 1jec h ALA 91 Cb 0.41 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jec h ALA 91 CO -0.33 -0.20 -1.16 0.35 0.00 0.00 0.00 179.25 177.92 1jec h PHE 92 N 0.57 0.69 -0.99 0.00 3.57 -1.86 -3.30 116.94 115.62 1jec h PHE 92 Ca 0.55 -0.50 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1jec h PHE 92 Cb 0.93 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 1jec h PHE 92 CO -0.08 1.45 0.63 0.00 -2.23 0.00 0.00 178.31 178.08 1jec h ALA 93 N 0.09 1.54 -0.04 2.41 0.00 -0.64 -1.17 119.26 121.45 1jec h ALA 93 Ca -0.21 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1jec h ALA 93 Cb 1.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1jec h ALA 93 CO 0.18 0.22 -0.25 -0.91 0.00 0.00 0.00 179.25 178.50 1jec h ASN 94 N 0.98 0.06 0.20 0.00 2.35 -1.22 -2.38 115.58 115.58 1jec h ASN 94 Ca 0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 1jec h ASN 94 Cb 0.47 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1jec h ASN 94 CO -0.24 0.32 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 1jec n GLN 95 N -4.22 0.61 -4.70 0.81 6.02 -0.45 -4.81 117.38 110.65 1jec n GLN 95 Ca -0.02 0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.76 1jec n GLN 95 Cb 0.32 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.93 1jec n GLN 95 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1jec s ILE 96 N -2.25 1.38 0.16 5.09 -4.36 -0.90 -5.12 121.20 115.20 1jec s ILE 96 Ca 0.32 -0.88 0.05 0.00 -0.26 0.00 0.00 60.65 59.88 1jec s ILE 96 Cb 0.17 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1jec s ILE 96 CO 0.33 0.28 -0.11 -1.59 0.24 0.00 0.00 174.94 174.09 1jec s LYS 97 N -0.69 1.11 0.49 0.37 -2.85 -1.26 -4.94 119.74 111.96 1jec s LYS 97 Ca 0.06 -1.47 -0.21 0.00 -1.00 0.00 0.00 55.97 53.35 1jec s LYS 97 Cb -0.07 -0.72 -0.10 0.00 -2.06 0.00 0.00 37.83 34.88 1jec s LYS 97 CO 0.00 0.10 0.72 -0.35 0.10 0.00 0.00 175.35 175.92 1jec n PRO 98 N -0.21 0.80 -0.03 1.78 -0.04 -1.26 -1.63 135.00 134.41 1jec n PRO 98 Ca -0.10 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1jec n PRO 98 Cb 0.60 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1jec n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jec n ASP 99 N 0.58 0.00 -4.74 3.54 8.00 0.23 -4.99 116.55 119.17 1jec n ASP 99 Ca 0.11 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 1jec n ASP 99 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1jec n ASP 99 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jec s THR 100 N -2.95 3.09 -0.23 -3.53 2.01 -0.64 -4.70 115.64 108.68 1jec s THR 100 Ca 0.00 0.91 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 1jec s THR 100 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1jec s THR 100 CO 0.00 0.14 0.11 -0.13 -0.69 0.00 0.00 174.62 174.05 1jec s ARG 101 N -0.27 3.91 0.26 4.92 0.52 -1.26 -0.72 118.95 126.30 1jec s ARG 101 Ca 0.56 -0.36 0.10 0.00 -0.52 0.00 0.00 55.73 55.51 1jec s ARG 101 Cb -0.38 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 1jec s ARG 101 CO 0.40 0.03 -0.15 0.96 0.02 0.00 0.00 175.30 176.56 1jec s ILE 102 N 1.08 2.08 -0.11 1.52 -4.36 -0.06 -4.51 121.20 116.84 1jec s ILE 102 Ca 0.06 -2.29 -0.04 0.00 -0.26 0.00 0.00 60.65 58.12 1jec s ILE 102 Cb -0.14 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1jec s ILE 102 CO 0.04 -0.45 0.03 0.00 0.24 0.00 0.00 174.94 174.80 1jec s ALA 103 N -2.75 3.39 -0.27 2.27 0.00 -0.48 -0.49 121.76 123.43 1jec s ALA 103 Ca 0.27 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1jec s ALA 103 Cb -0.02 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.48 1jec s ALA 103 CO 0.12 0.52 0.03 -0.51 0.00 0.00 0.00 175.76 175.92 1jec s LEU 104 N -0.68 3.55 0.35 0.00 1.43 0.11 -0.90 118.68 122.53 1jec s LEU 104 Ca 0.11 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1jec s LEU 104 Cb -0.12 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1jec s LEU 104 CO 0.02 -0.15 0.32 -0.36 0.23 0.00 0.00 176.35 176.42 1jec s PHE 105 N 1.46 2.87 -0.05 0.29 0.40 -0.68 -0.14 117.98 122.14 1jec s PHE 105 Ca 0.03 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1jec s PHE 105 Cb -0.17 -1.89 -0.00 0.00 0.51 0.00 0.00 43.02 41.47 1jec s PHE 105 CO 0.00 0.10 -0.18 -1.14 0.70 0.00 0.00 175.22 174.70 1jec s GLN 106 N -4.04 1.96 -1.57 0.44 0.74 0.51 -1.50 119.66 116.20 1jec s GLN 106 Ca 0.43 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1jec s GLN 106 Cb -0.06 -1.65 0.00 0.00 1.10 0.00 0.00 33.01 32.40 1jec s GLN 106 CO 0.27 0.22 0.00 -0.25 -0.55 0.00 0.00 175.29 174.98 1jec n ASP 107 N 3.26 -4.53 -1.49 6.67 10.43 -1.26 -1.33 116.55 128.30 1jec n ASP 107 Ca -0.19 0.26 -0.19 0.00 2.57 0.00 0.00 54.79 57.24 1jec n ASP 107 Cb 0.53 -3.97 -0.08 0.00 1.84 0.00 0.00 41.12 39.44 1jec n ASP 107 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1jec n ASP 108 N -1.33 -5.36 0.00 -2.24 9.92 -1.26 -4.71 116.55 111.57 1jec n ASP 108 Ca -0.18 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1jec n ASP 108 Cb 0.59 -4.57 0.00 0.00 -0.64 0.00 0.00 41.12 36.50 1jec n ASP 108 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jec n GLU 109 N -2.40 3.43 -3.79 -1.24 2.13 -0.56 -5.07 120.64 113.13 1jec n GLU 109 Ca -0.19 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.26 1jec n GLU 109 Cb 0.64 -0.32 -0.13 0.00 0.27 0.00 0.00 31.44 31.90 1jec n GLU 109 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jec s ILE 110 N -0.12 3.62 -0.01 6.31 1.01 -0.44 -4.93 121.20 126.64 1jec s ILE 110 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1jec s ILE 110 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1jec s ILE 110 CO 0.00 -0.08 1.37 -2.16 0.00 0.00 0.00 174.94 174.07 1jec s PRO 111 N 1.39 4.29 -0.26 2.79 0.04 -1.26 -0.36 135.00 141.63 1jec s PRO 111 Ca -0.01 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1jec s PRO 111 Cb -0.19 -3.57 -0.14 0.00 0.04 0.00 0.00 34.50 30.64 1jec s PRO 111 CO 0.02 -0.55 -0.25 -0.89 0.04 0.00 0.00 177.00 175.36 1jec n ILE 112 N 4.65 1.53 -3.83 0.56 2.08 0.81 -4.34 119.36 120.82 1jec n ILE 112 Ca 0.13 -0.41 -0.06 0.00 0.56 0.00 0.00 62.75 62.97 1jec n ILE 112 Cb 0.44 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 1jec n ILE 112 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jec s ALA 113 N -2.50 -1.19 -0.11 -1.39 0.00 -1.04 -0.74 121.76 114.80 1jec s ALA 113 Ca -0.37 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1jec s ALA 113 Cb 0.13 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 1jec s ALA 113 CO 0.53 -1.03 -0.23 0.42 0.00 0.00 0.00 175.76 175.46 1jec s ILE 114 N -3.03 2.15 -0.18 0.00 -1.09 -0.81 -0.72 121.20 117.52 1jec s ILE 114 Ca 0.14 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.54 1jec s ILE 114 Cb -0.04 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1jec s ILE 114 CO 0.07 0.55 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.10 1jec s LEU 115 N 0.40 3.24 -0.50 2.97 1.98 0.36 -1.77 118.68 125.37 1jec s LEU 115 Ca -0.17 -0.18 -0.18 0.00 -2.89 0.00 0.00 54.13 50.72 1jec s LEU 115 Cb -0.17 -1.81 0.07 0.00 0.66 0.00 0.00 46.19 44.94 1jec s LEU 115 CO 0.07 0.10 0.53 -0.89 -1.89 0.00 0.00 176.35 174.28 1jec s THR 116 N 0.76 5.03 0.07 3.68 2.01 -0.57 -0.88 115.64 125.74 1jec s THR 116 Ca -0.01 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 1jec s THR 116 Cb -0.14 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.03 1jec s THR 116 CO 0.02 -0.73 1.92 0.52 -0.69 0.00 0.00 174.62 175.66 1jec n VAL 117 N 5.43 0.60 -0.09 3.82 0.31 0.10 -2.56 118.33 125.94 1jec n VAL 117 Ca -0.09 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 1jec n VAL 117 Cb 0.44 -2.23 -0.14 0.00 -0.91 0.00 0.00 33.84 31.01 1jec n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jec n GLN 118 N 6.73 0.68 -3.74 5.55 6.02 0.11 0.74 117.38 133.47 1jec n GLN 118 Ca 0.19 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.24 1jec n GLN 118 Cb 0.39 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1jec n GLN 118 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jec s ASP 119 N -6.27 -0.34 -0.03 1.08 3.84 -1.01 -4.67 116.67 109.27 1jec s ASP 119 Ca -0.23 -0.43 0.01 0.00 -0.00 0.00 0.00 52.55 51.89 1jec s ASP 119 Cb 0.08 0.68 0.03 0.00 -1.38 0.00 0.00 42.92 42.32 1jec s ASP 119 CO 0.71 -1.21 -0.01 -0.69 -0.00 0.00 0.00 175.17 173.97 1jec s VAL 120 N -3.82 0.24 0.08 2.11 1.01 -1.26 -1.71 120.40 117.04 1jec s VAL 120 Ca 0.08 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1jec s VAL 120 Cb -0.04 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1jec s VAL 120 CO 0.01 0.16 0.43 -0.72 0.00 0.00 0.00 175.10 174.98 1jec s TYR 121 N 1.01 -0.27 -0.40 5.22 -0.85 -0.50 -5.00 117.35 116.55 1jec s TYR 121 Ca -0.10 0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.51 1jec s TYR 121 Cb -0.14 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.55 1jec s TYR 121 CO -0.01 -0.64 0.22 0.21 -1.52 0.00 0.00 175.55 173.80 1jec s LYS 122 N -3.05 2.45 0.50 -3.49 2.20 -1.26 0.85 119.74 117.95 1jec s LYS 122 Ca -0.02 -1.52 -0.20 0.00 -0.36 0.00 0.00 55.97 53.87 1jec s LYS 122 Cb 0.00 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 1jec s LYS 122 CO -0.07 -0.95 1.05 -1.25 -0.36 0.00 0.00 175.35 173.78 1jec s PRO 123 N 1.34 3.71 -0.76 4.03 0.04 -1.25 -4.97 135.00 137.14 1jec s PRO 123 Ca 0.03 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.19 1jec s PRO 123 Cb -0.23 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1jec s PRO 123 CO 0.00 -0.51 1.21 1.21 0.04 0.00 0.00 177.00 178.95 1jec s ASN 124 N -2.04 6.22 0.03 6.66 3.04 -1.26 -4.86 114.94 122.73 1jec s ASN 124 Ca 0.67 -0.79 0.12 0.00 0.04 0.00 0.00 52.86 52.90 1jec s ASN 124 Cb -0.17 -2.51 0.50 0.00 -1.54 0.00 0.00 41.25 37.52 1jec s ASN 124 CO 0.22 -1.66 1.37 0.29 -3.04 0.00 0.00 177.10 174.28 1jec n LYS 125 N 8.74 0.02 0.12 0.43 5.02 -1.26 -2.29 118.16 128.94 1jec n LYS 125 Ca 0.06 0.34 -0.22 0.00 -2.02 0.00 0.00 58.31 56.47 1jec n LYS 125 Cb 0.48 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 1jec n LYS 125 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1jec h THR 126 N 0.00 1.33 -0.14 -0.18 2.02 -1.99 -2.07 112.91 111.88 1jec h THR 126 Ca 0.00 -2.70 -0.03 0.00 0.77 0.00 0.00 66.41 64.44 1jec h THR 126 Cb 0.19 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1jec h THR 126 CO 0.00 0.81 -0.05 0.40 0.37 0.00 0.00 175.52 177.05 1jec h ILE 127 N 0.17 1.30 -0.16 3.11 2.04 -1.88 -1.07 117.51 121.03 1jec h ILE 127 Ca -0.21 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1jec h ILE 127 Cb 2.04 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1jec h ILE 127 CO 0.25 0.30 0.06 -0.08 0.00 0.00 0.00 178.15 178.68 1jec h GLU 128 N -0.04 0.14 -0.40 2.37 4.81 -1.62 0.54 114.58 120.38 1jec h GLU 128 Ca 0.03 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1jec h GLU 128 Cb 0.49 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1jec h GLU 128 CO 0.02 0.09 -0.01 0.00 -0.73 0.00 0.00 179.01 178.38 1jec h ALA 129 N 1.09 0.36 0.31 2.92 0.00 -1.30 0.18 119.26 122.81 1jec h ALA 129 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jec h ALA 129 Cb 0.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jec h ALA 129 CO -0.06 -0.40 -0.15 1.49 0.00 0.00 0.00 179.25 180.13 1jec h GLU 130 N 0.09 -0.40 0.17 0.00 4.22 -0.65 -0.71 114.58 117.30 1jec h GLU 130 Ca 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 1jec h GLU 130 Cb 0.28 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jec h GLU 130 CO -0.34 -0.07 -0.08 0.87 -2.18 0.00 0.00 179.01 177.21 1jec h LYS 131 N -0.94 -0.21 0.04 1.92 1.79 0.16 -1.24 116.57 118.08 1jec h LYS 131 Ca -0.04 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1jec h LYS 131 Cb 0.51 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1jec h LYS 131 CO 0.07 -0.07 -0.27 0.28 -1.08 0.00 0.00 179.45 178.38 1jec h VAL 132 N -0.31 1.69 -0.64 0.50 2.07 -0.82 -3.39 116.25 115.35 1jec h VAL 132 Ca -0.02 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1jec h VAL 132 Cb 0.24 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1jec h VAL 132 CO 0.04 0.63 0.00 0.49 0.02 0.00 0.00 177.57 178.75 1jec n PHE 133 N -4.47 1.05 -0.83 1.57 3.72 -0.98 -4.94 117.46 112.58 1jec n PHE 133 Ca -0.12 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 1jec n PHE 133 Cb 0.58 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1jec n PHE 133 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jec n ARG 134 N 1.27 0.00 0.00 -1.08 1.74 -0.47 -4.44 116.66 113.68 1jec n ARG 134 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1jec n ARG 134 Cb 0.68 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1jec n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jec n GLY 135 N -2.00 2.69 3.65 -0.13 0.00 -0.31 -4.85 105.19 104.24 1jec n GLY 135 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jec n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jec s ASP 136 N -1.91 6.54 0.35 1.61 3.68 -1.26 -4.83 116.67 120.85 1jec s ASP 136 Ca 0.00 2.06 0.16 0.00 2.13 0.00 0.00 52.55 56.90 1jec s ASP 136 Cb 0.00 -2.53 0.89 0.00 -1.45 0.00 0.00 42.92 39.83 1jec s ASP 136 CO 0.00 -1.06 1.43 1.55 0.13 0.00 0.00 175.17 177.22 1jec h PRO 137 N 10.08 0.00 -0.01 4.34 0.13 -1.97 0.81 132.00 145.38 1jec h PRO 137 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jec h PRO 137 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jec h PRO 137 CO 0.97 0.00 -0.32 0.39 -0.23 0.00 0.00 178.00 178.81 1jec n GLU 138 N -2.17 0.84 -1.96 0.86 1.02 -1.26 -4.27 120.64 113.70 1jec n GLU 138 Ca -0.01 -0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 56.17 1jec n GLU 138 Cb 0.27 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1jec n GLU 138 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jec s HIS 139 N -2.53 2.32 0.56 -0.32 2.46 0.28 -4.86 115.29 113.20 1jec s HIS 139 Ca 0.22 0.31 0.33 0.00 0.47 0.00 0.00 55.06 56.39 1jec s HIS 139 Cb 0.19 -3.94 1.46 0.00 -0.13 0.00 0.00 32.58 30.16 1jec s HIS 139 CO 0.54 -3.81 1.77 -1.35 -2.47 0.00 0.00 174.74 169.43 1jec h PRO 140 N 8.63 0.00 0.02 2.88 0.11 -1.89 0.33 132.00 142.08 1jec h PRO 140 Ca -0.42 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 1jec h PRO 140 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jec h PRO 140 CO 0.93 0.00 -0.94 0.00 -0.21 0.00 0.00 178.00 177.79 1jec h ALA 141 N 1.31 0.44 0.03 -0.75 0.00 -1.89 -2.09 119.26 116.30 1jec h ALA 141 Ca 0.46 -0.76 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 1jec h ALA 141 Cb 2.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.78 1jec h ALA 141 CO -0.00 0.95 -1.02 0.82 0.00 0.00 0.00 179.25 180.00 1jec h ILE 142 N 0.10 1.39 0.24 0.00 2.04 -0.72 0.26 117.51 120.81 1jec h ILE 142 Ca -0.05 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.30 1jec h ILE 142 Cb 1.59 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 40.17 1jec h ILE 142 CO 0.14 0.75 -0.14 -1.28 0.00 0.00 0.00 178.15 177.62 1jec h SER 143 N 0.24 -0.34 -0.26 1.72 0.87 -1.18 -0.16 113.55 114.44 1jec h SER 143 Ca -0.10 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1jec h SER 143 Cb 1.67 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1jec h SER 143 CO 0.18 -0.23 0.17 0.22 -0.53 0.00 0.00 176.83 176.64 1jec h TYR 144 N -0.36 0.31 -0.81 2.24 3.20 -1.37 0.37 116.97 120.54 1jec h TYR 144 Ca -0.03 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.01 1jec h TYR 144 Cb 0.30 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.36 1jec h TYR 144 CO -0.08 0.20 0.36 1.25 -1.64 0.00 0.00 178.16 178.24 1jec h LEU 145 N 0.34 0.36 0.03 2.82 5.85 0.03 0.02 115.31 124.76 1jec h LEU 145 Ca 0.09 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.65 1jec h LEU 145 Cb -0.03 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1jec h LEU 145 CO -0.03 0.11 -1.55 0.49 -0.34 0.00 0.00 178.44 177.13 1jec n PHE 146 N -4.98 1.02 0.16 1.25 3.01 -0.12 -4.12 117.46 113.68 1jec n PHE 146 Ca 0.17 0.36 0.06 0.00 1.01 0.00 0.00 57.45 59.06 1jec n PHE 146 Cb 0.47 -1.11 0.07 0.00 -0.01 0.00 0.00 39.48 38.89 1jec n PHE 146 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1jec h ASN 147 N -0.70 0.00 0.00 4.37 -0.26 -0.27 -3.42 115.58 115.31 1jec h ASN 147 Ca -0.39 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.30 1jec h ASN 147 Cb 1.53 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.78 1jec h ASN 147 CO -0.14 0.29 -1.16 0.52 -1.06 0.00 0.00 177.43 175.88 1jec n VAL 148 N -3.11 0.16 -1.94 2.81 0.31 -0.38 -5.03 118.33 111.16 1jec n VAL 148 Ca 0.02 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 63.90 1jec n VAL 148 Cb 0.66 -1.02 0.01 0.00 -0.91 0.00 0.00 33.84 32.58 1jec n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jec s ALA 149 N -2.05 3.14 0.79 3.52 0.00 -0.15 -4.99 121.76 122.02 1jec s ALA 149 Ca -0.04 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1jec s ALA 149 Cb 0.01 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1jec s ALA 149 CO 0.06 -1.03 1.13 0.20 0.00 0.00 0.00 175.76 176.11 1jec s GLY 150 N -0.77 1.87 0.00 0.00 0.00 -1.26 -4.84 107.32 102.32 1jec s GLY 150 Ca 0.62 0.51 0.28 0.00 0.00 0.00 0.00 44.72 46.13 1jec s GLY 150 CO 0.50 0.89 1.73 1.22 0.00 0.00 0.00 173.10 177.44 1jec n ASP 151 N -3.44 0.45 -4.14 1.64 10.43 -0.98 -4.51 116.55 116.01 1jec n ASP 151 Ca 0.11 -0.33 -0.28 0.00 2.57 0.00 0.00 54.79 56.86 1jec n ASP 151 Cb 0.52 -0.05 -0.17 0.00 1.84 0.00 0.00 41.12 43.26 1jec n ASP 151 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1jec s TYR 152 N -2.71 2.04 -0.14 1.24 1.51 -0.52 -3.91 117.35 114.86 1jec s TYR 152 Ca 0.21 -0.77 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 1jec s TYR 152 Cb 0.19 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1jec s TYR 152 CO 0.54 -0.32 0.21 0.71 -1.11 0.00 0.00 175.55 175.58 1jec s TYR 153 N 0.39 3.52 -0.30 2.71 4.12 0.25 -0.12 117.35 127.92 1jec s TYR 153 Ca -0.15 0.54 -0.06 0.00 0.02 0.00 0.00 57.07 57.42 1jec s TYR 153 Cb -0.16 -2.15 0.02 0.00 -1.52 0.00 0.00 41.96 38.15 1jec s TYR 153 CO 0.06 0.46 0.06 0.08 0.02 0.00 0.00 175.55 176.23 1jec s VAL 154 N -0.20 3.72 0.03 0.71 1.01 0.05 -1.41 120.40 124.31 1jec s VAL 154 Ca 0.14 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1jec s VAL 154 Cb -0.12 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1jec s VAL 154 CO 0.03 0.02 0.40 -0.83 0.00 0.00 0.00 175.10 174.73 1jec s GLY 155 N 1.44 2.41 0.00 4.51 0.00 -0.70 -3.96 107.32 111.02 1jec s GLY 155 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1jec s GLY 155 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.73 1jec n GLY 156 N 1.41 0.85 3.78 0.20 0.00 -0.70 0.03 105.19 110.77 1jec n GLY 156 Ca -0.11 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 1jec n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jec s SER 157 N 0.00 7.36 0.05 1.61 1.04 -1.06 -1.61 113.70 121.09 1jec s SER 157 Ca 0.00 1.64 0.01 0.00 0.48 0.00 0.00 55.95 58.08 1jec s SER 157 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1jec s SER 157 CO 0.00 0.18 0.13 -0.76 0.98 0.00 0.00 173.24 173.77 1jec s LEU 158 N -1.29 4.04 -0.05 2.42 1.02 -0.00 -1.51 118.68 123.31 1jec s LEU 158 Ca 0.37 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.68 1jec s LEU 158 Cb -0.22 -2.62 0.01 0.00 0.02 0.00 0.00 46.19 43.38 1jec s LEU 158 CO 0.26 0.19 -0.12 -1.61 0.02 0.00 0.00 176.35 175.09 1jec s GLU 159 N -2.30 1.47 0.05 1.70 2.02 -0.73 -4.89 118.70 116.02 1jec s GLU 159 Ca 0.30 -0.40 -0.20 0.00 0.02 0.00 0.00 54.97 54.69 1jec s GLU 159 Cb -0.12 -1.27 -0.06 0.00 0.10 0.00 0.00 34.13 32.78 1jec s GLU 159 CO 0.23 0.08 0.59 0.00 0.02 0.00 0.00 175.26 176.18 1jec s ALA 160 N 0.44 3.54 -0.15 5.21 0.00 -1.26 -1.93 121.76 127.61 1jec s ALA 160 Ca -0.09 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1jec s ALA 160 Cb -0.13 -2.70 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1jec s ALA 160 CO 0.02 0.29 -0.19 -0.89 0.00 0.00 0.00 175.76 174.99 1jec n ILE 161 N 2.15 0.84 -3.56 0.00 5.41 0.08 -4.73 119.36 119.55 1jec n ILE 161 Ca -0.08 -0.22 -0.07 0.00 1.00 0.00 0.00 62.75 63.38 1jec n ILE 161 Cb 0.51 -1.68 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 1jec n ILE 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jec s GLN 162 N -2.28 0.51 0.53 0.38 -2.07 -0.79 -4.96 119.66 110.97 1jec s GLN 162 Ca -0.21 -0.13 -0.16 0.00 -1.82 0.00 0.00 55.36 53.04 1jec s GLN 162 Cb 0.08 0.23 -0.07 0.00 -1.09 0.00 0.00 33.01 32.16 1jec s GLN 162 CO 0.27 -0.21 1.00 -0.51 -1.32 0.00 0.00 175.29 174.52 1jec s LEU 163 N -2.03 3.61 0.13 2.60 1.43 -1.26 -4.60 118.68 118.56 1jec s LEU 163 Ca 0.06 1.62 -0.35 0.00 -1.03 0.00 0.00 54.13 54.43 1jec s LEU 163 Cb -0.01 -4.51 -0.16 0.00 0.03 0.00 0.00 46.19 41.54 1jec s LEU 163 CO -0.05 -0.68 1.33 -2.65 0.23 0.00 0.00 176.35 174.52 1jec n PRO 164 N -1.64 1.34 -1.94 1.29 -0.02 -1.26 -4.86 135.00 127.90 1jec n PRO 164 Ca 0.07 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1jec n PRO 164 Cb 0.54 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1jec n PRO 164 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1jec s GLN 165 N 0.26 4.22 -0.02 -0.52 2.00 -1.26 -5.03 119.66 119.32 1jec s GLN 165 Ca 0.80 2.37 -0.00 0.00 -2.00 0.00 0.00 55.36 56.53 1jec s GLN 165 Cb -0.87 -3.11 0.02 0.00 0.80 0.00 0.00 33.01 29.85 1jec s GLN 165 CO 0.47 -0.53 0.02 -1.01 -0.50 0.00 0.00 175.29 173.75 1jec s HIS 166 N 0.42 0.02 -0.77 1.67 3.76 -1.26 -5.04 115.29 114.08 1jec s HIS 166 Ca 0.64 0.10 0.18 0.00 -0.15 0.00 0.00 55.06 55.84 1jec s HIS 166 Cb -0.44 -0.18 -0.21 0.00 1.11 0.00 0.00 32.58 32.86 1jec s HIS 166 CO 0.40 -0.07 0.74 0.66 -0.85 0.00 0.00 174.74 175.62 1jec n TYR 167 N 3.94 0.00 -3.78 1.40 4.01 -1.26 -4.85 117.16 116.62 1jec n TYR 167 Ca -0.24 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.18 1jec n TYR 167 Cb 0.52 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 1jec n TYR 167 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1jec s ASP 168 N -2.91 6.44 -1.50 7.72 -4.77 -1.26 -4.58 116.67 115.82 1jec s ASP 168 Ca 0.05 0.47 -0.04 0.00 -3.30 0.00 0.00 52.55 49.73 1jec s ASP 168 Cb 0.14 -2.04 0.04 0.00 -1.09 0.00 0.00 42.92 39.96 1jec s ASP 168 CO 0.76 0.13 0.44 -1.22 0.70 0.00 0.00 175.17 175.98 1jec n TYR 169 N 0.33 -1.61 -0.10 2.11 4.01 -1.26 -4.86 117.16 115.79 1jec n TYR 169 Ca -0.05 0.74 0.09 0.00 -0.16 0.00 0.00 57.90 58.52 1jec n TYR 169 Cb 0.52 -3.42 0.45 0.00 -0.31 0.00 0.00 39.34 36.57 1jec n TYR 169 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jec h PRO 170 N -1.75 0.51 -0.30 -0.72 0.11 -1.89 -2.26 132.00 125.71 1jec h PRO 170 Ca -0.63 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.33 1jec h PRO 170 Cb 1.38 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1jec h PRO 170 CO 0.67 0.34 -0.32 0.78 -0.21 0.00 0.00 178.00 179.26 1jec h GLY 171 N 0.53 0.71 0.70 -0.55 0.00 -1.98 -3.32 103.07 99.15 1jec h GLY 171 Ca 0.26 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jec h GLY 171 CO -0.08 0.60 -0.36 1.04 0.00 0.00 0.00 176.54 177.74 1jec n LEU 172 N -4.07 0.71 -3.92 3.11 4.77 -0.86 -4.62 117.00 112.12 1jec n LEU 172 Ca -0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 1jec n LEU 172 Cb 0.48 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1jec n LEU 172 CO 0.45 0.15 1.96 0.54 -1.33 0.00 0.00 177.39 179.15 1jec n ARG 173 N -1.10 3.53 -2.61 3.23 1.74 -1.16 -1.56 116.66 118.73 1jec n ARG 173 Ca 0.09 -3.48 -0.41 0.00 -0.77 0.00 0.00 57.85 53.28 1jec n ARG 173 Cb 0.34 -2.97 -0.04 0.00 -1.02 0.00 0.00 32.46 28.76 1jec n ARG 173 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jec s LYS 174 N 0.76 4.67 0.74 5.56 -0.14 -1.26 -4.99 119.74 125.07 1jec s LYS 174 Ca 0.41 1.61 -0.11 0.00 -1.36 0.00 0.00 55.97 56.52 1jec s LYS 174 Cb 0.09 -3.30 0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1jec s LYS 174 CO -0.00 0.20 1.11 0.95 -0.76 0.00 0.00 175.35 176.84 1jec s THR 175 N -0.40 2.84 0.17 2.17 -4.23 -1.26 -4.77 115.64 110.16 1jec s THR 175 Ca 0.47 0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 61.03 1jec s THR 175 Cb -0.27 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1jec s THR 175 CO 0.33 -0.33 1.67 -0.65 -0.54 0.00 0.00 174.62 175.10 1jec h PRO 176 N -0.77 0.02 -0.66 3.99 0.11 -1.87 0.23 132.00 133.05 1jec h PRO 176 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jec h PRO 176 Cb 1.29 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1jec h PRO 176 CO 0.64 0.01 0.34 0.00 -0.21 0.00 0.00 178.00 178.79 1jec h ALA 177 N 1.42 0.85 -0.25 -0.75 0.00 -1.87 -0.58 119.26 118.08 1jec h ALA 177 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jec h ALA 177 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jec h ALA 177 CO -0.43 0.39 0.05 1.96 0.00 0.00 0.00 179.25 181.21 1jec h GLN 178 N 0.91 0.42 -0.73 0.00 4.20 -1.76 -2.04 115.11 116.11 1jec h GLN 178 Ca 0.23 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1jec h GLN 178 Cb 0.08 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1jec h GLN 178 CO -0.03 0.54 0.20 1.25 -0.67 0.00 0.00 178.83 180.12 1jec h LEU 179 N 0.23 1.08 -1.30 1.46 6.46 -0.35 -1.60 115.31 121.30 1jec h LEU 179 Ca 0.08 -0.21 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1jec h LEU 179 Cb 0.32 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1jec h LEU 179 CO 0.00 1.01 0.46 0.03 -0.62 0.00 0.00 178.44 179.33 1jec h ARG 180 N 1.09 0.93 -0.08 1.25 3.08 -0.92 -1.00 114.38 118.73 1jec h ARG 180 Ca 0.23 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.09 1jec h ARG 180 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1jec h ARG 180 CO -0.00 0.62 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.90 1jec h LEU 181 N 0.96 0.26 -0.44 3.04 3.38 -0.80 -1.20 115.31 120.51 1jec h LEU 181 Ca 0.26 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1jec h LEU 181 Cb -0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1jec h LEU 181 CO -0.05 0.76 -0.06 -0.33 0.09 0.00 0.00 178.44 178.85 1jec h GLU 182 N 0.18 0.81 -0.23 1.13 4.39 -0.52 0.09 114.58 120.43 1jec h GLU 182 Ca 0.00 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 1jec h GLU 182 Cb 1.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1jec h GLU 182 CO 0.09 0.90 -0.06 0.74 -1.16 0.00 0.00 179.01 179.52 1jec h PHE 183 N 0.64 0.51 -0.81 4.33 0.04 -1.06 -3.07 116.94 117.52 1jec h PHE 183 Ca 0.12 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1jec h PHE 183 Cb 0.57 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1jec h PHE 183 CO 0.04 0.68 0.50 0.37 -0.60 0.00 0.00 178.31 179.31 1jec h GLN 184 N 0.19 0.93 0.00 1.51 4.15 -1.12 -0.18 115.11 120.59 1jec h GLN 184 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jec h GLN 184 Cb 0.52 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1jec h GLN 184 CO 0.02 0.61 -0.02 0.66 -1.93 0.00 0.00 178.83 178.18 1jec h SER 185 N 0.96 0.00 -0.06 -0.69 4.64 -0.93 -1.79 113.55 115.68 1jec h SER 185 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1jec h SER 185 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1jec h SER 185 CO -0.14 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.38 1jec n ARG 186 N -3.15 2.25 -2.44 4.77 1.74 -0.64 -4.96 116.66 114.23 1jec n ARG 186 Ca -0.01 -1.92 -0.17 0.00 -0.77 0.00 0.00 57.85 54.98 1jec n ARG 186 Cb 0.24 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1jec n ARG 186 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jec n GLN 187 N 1.32 -1.92 -2.98 5.56 6.02 -0.49 -4.98 117.38 119.92 1jec n GLN 187 Ca 0.14 0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 57.54 1jec n GLN 187 Cb 0.58 -5.28 -0.05 0.00 1.02 0.00 0.00 30.24 26.52 1jec n GLN 187 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jec s TRP 188 N -2.90 3.42 0.00 1.08 0.52 -0.20 -4.89 118.94 115.97 1jec s TRP 188 Ca 0.05 1.15 0.00 0.00 0.02 0.00 0.00 56.10 57.32 1jec s TRP 188 Cb -0.02 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 1jec s TRP 188 CO 0.06 -0.19 0.56 -0.40 0.02 0.00 0.00 176.95 177.01 1jec n ASP 189 N 5.04 0.92 -3.70 2.95 3.85 -1.26 -4.40 116.55 119.95 1jec n ASP 189 Ca 0.02 -1.31 -0.27 0.00 -0.71 0.00 0.00 54.79 52.52 1jec n ASP 189 Cb 0.49 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.10 1jec n ASP 189 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1jec s ARG 190 N -0.31 0.46 -0.07 0.11 0.52 -1.26 -4.88 118.95 113.51 1jec s ARG 190 Ca 0.00 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 54.93 1jec s ARG 190 Cb 0.00 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.55 1jec s ARG 190 CO 0.00 -0.63 -0.04 0.08 0.02 0.00 0.00 175.30 174.73 1jec s VAL 191 N 1.96 0.62 -0.22 3.52 1.01 -1.26 -0.13 120.40 125.89 1jec s VAL 191 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1jec s VAL 191 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1jec s VAL 191 CO -0.08 0.28 0.28 0.54 0.00 0.00 0.00 175.10 176.12 1jec s VAL 192 N 1.56 5.28 -0.00 2.92 0.11 0.36 -1.14 120.40 129.49 1jec s VAL 192 Ca -0.00 0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1jec s VAL 192 Cb -0.13 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 1jec s VAL 192 CO -0.04 0.30 0.26 0.00 -3.33 0.00 0.00 175.10 172.28 1jec s ALA 193 N 1.21 3.85 -0.17 1.54 0.00 -0.10 -0.79 121.76 127.30 1jec s ALA 193 Ca 0.13 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1jec s ALA 193 Cb -0.14 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 20.94 1jec s ALA 193 CO 0.06 0.65 -0.20 0.12 0.00 0.00 0.00 175.76 176.39 1jec s PHE 194 N -1.27 2.72 0.14 0.00 5.36 0.05 -2.52 117.98 122.46 1jec s PHE 194 Ca 0.26 -1.55 -0.09 0.00 -0.96 0.00 0.00 56.93 54.60 1jec s PHE 194 Cb -0.13 -1.88 -0.06 0.00 -0.34 0.00 0.00 43.02 40.61 1jec s PHE 194 CO 0.15 -0.75 0.45 -1.14 -1.46 0.00 0.00 175.22 172.47 1jec s GLN 195 N 1.16 3.76 -0.18 10.12 2.00 -1.26 -1.76 119.66 133.51 1jec s GLN 195 Ca 0.02 0.17 -0.30 0.00 -2.00 0.00 0.00 55.36 53.25 1jec s GLN 195 Cb -0.14 -2.86 0.14 0.00 0.80 0.00 0.00 33.01 30.95 1jec s GLN 195 CO -0.10 0.46 1.05 -0.08 -0.50 0.00 0.00 175.29 176.12 1jec s THR 196 N -1.59 0.00 -0.06 -0.34 -1.32 -1.26 -5.00 115.64 106.08 1jec s THR 196 Ca 0.40 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.96 1jec s THR 196 Cb -0.13 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.99 1jec s THR 196 CO 0.21 0.00 1.03 -2.11 -2.21 0.00 0.00 174.62 171.54 1jec n ARG 197 N 0.67 0.81 -4.39 7.08 1.85 -1.26 -1.44 116.66 119.98 1jec n ARG 197 Ca -0.09 -1.70 -0.20 0.00 -1.00 0.00 0.00 57.85 54.86 1jec n ARG 197 Cb 0.58 -0.98 -0.10 0.00 -1.05 0.00 0.00 32.46 30.91 1jec n ARG 197 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1jec s ASN 198 N -1.76 1.81 0.72 2.89 0.02 -1.26 -4.68 114.94 112.69 1jec s ASN 198 Ca 0.14 -1.46 -0.13 0.00 -1.02 0.00 0.00 52.86 50.39 1jec s ASN 198 Cb 0.12 0.20 0.03 0.00 0.02 0.00 0.00 41.25 41.62 1jec s ASN 198 CO 0.01 -0.76 1.10 -2.84 0.02 0.00 0.00 177.10 174.64 1jec s PRO 199 N -3.90 2.50 -0.15 -0.60 0.02 -1.26 -5.00 135.00 126.60 1jec s PRO 199 Ca 0.35 1.30 -0.03 0.00 0.02 0.00 0.00 61.00 62.64 1jec s PRO 199 Cb 0.07 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 1jec s PRO 199 CO 0.15 -1.47 -0.06 -1.64 -0.33 0.00 0.00 177.00 173.65 1jec s MET 200 N -4.47 3.59 0.47 5.54 -1.94 -1.26 -5.08 119.30 116.15 1jec s MET 200 Ca 0.64 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 54.13 1jec s MET 200 Cb -0.19 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.78 1jec s MET 200 CO 0.49 0.21 0.32 -1.01 -0.01 0.00 0.00 175.02 175.01 1jec s HIS 201 N 0.44 2.25 0.35 -0.03 3.76 -1.26 -4.91 115.29 115.88 1jec s HIS 201 Ca -0.05 -0.66 0.15 0.00 -0.15 0.00 0.00 55.06 54.35 1jec s HIS 201 Cb -0.15 -2.00 1.15 0.00 1.11 0.00 0.00 32.58 32.69 1jec s HIS 201 CO 0.03 -0.16 1.61 -0.09 -0.85 0.00 0.00 174.74 175.29 1jec h ARG 202 N 1.05 0.13 -0.93 1.40 9.65 -1.68 0.35 114.38 124.35 1jec h ARG 202 Ca -0.40 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.48 1jec h ARG 202 Cb 1.28 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.78 1jec h ARG 202 CO 0.61 0.08 0.62 0.00 2.80 0.00 0.00 179.97 184.08 1jec h ALA 203 N 1.93 1.18 -0.31 2.80 0.00 -1.87 0.92 119.26 123.90 1jec h ALA 203 Ca 0.76 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.45 1jec h ALA 203 Cb 1.85 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1jec h ALA 203 CO -0.72 0.58 -0.43 0.45 0.00 0.00 0.00 179.25 179.13 1jec h HIS 204 N 1.26 0.96 0.04 0.00 3.86 -0.69 0.14 115.15 120.73 1jec h HIS 204 Ca 0.34 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1jec h HIS 204 Cb -0.15 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.13 1jec h HIS 204 CO -0.01 1.08 -0.02 -0.09 0.86 0.00 0.00 177.93 179.76 1jec h ARG 205 N 0.64 -0.05 -0.16 2.45 1.12 -1.02 -1.53 114.38 115.83 1jec h ARG 205 Ca 0.04 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.93 1jec h ARG 205 Cb 1.00 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 1jec h ARG 205 CO 0.10 0.08 0.04 0.93 -3.11 0.00 0.00 179.97 178.01 1jec h GLU 206 N -0.17 0.11 -0.21 0.20 4.39 -0.61 -2.18 114.58 116.10 1jec h GLU 206 Ca -0.01 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1jec h GLU 206 Cb 0.16 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1jec h GLU 206 CO 0.01 0.08 -0.17 1.37 -1.16 0.00 0.00 179.01 179.13 1jec h LEU 207 N 0.12 0.35 -0.42 1.33 8.10 -0.68 -1.98 115.31 122.14 1jec h LEU 207 Ca 0.07 -0.09 -0.17 0.00 0.11 0.00 0.00 57.88 57.80 1jec h LEU 207 Cb 0.05 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1jec h LEU 207 CO -0.08 0.55 -0.53 0.71 -4.11 0.00 0.00 178.44 174.97 1jec h THR 208 N 0.34 1.30 -0.62 0.15 1.35 -1.02 -1.93 112.91 112.47 1jec h THR 208 Ca 0.06 -1.74 -0.08 0.00 -0.55 0.00 0.00 66.41 64.10 1jec h THR 208 Cb 0.50 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1jec h THR 208 CO 0.03 0.56 0.07 0.58 -0.25 0.00 0.00 175.52 176.51 1jec h VAL 209 N 0.56 1.26 -0.32 6.82 2.07 -1.16 -1.22 116.25 124.26 1jec h VAL 209 Ca 0.02 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1jec h VAL 209 Cb 1.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1jec h VAL 209 CO 0.11 0.39 -0.19 0.03 0.02 0.00 0.00 177.57 177.93 1jec h ARG 210 N 0.97 0.60 -0.57 1.57 3.08 -1.32 0.23 114.38 118.94 1jec h ARG 210 Ca 0.19 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1jec h ARG 210 Cb 0.46 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1jec h ARG 210 CO 0.02 0.76 0.33 0.00 -1.07 0.00 0.00 179.97 180.00 1jec h ALA 211 N 1.26 0.73 -0.88 0.04 0.00 -0.89 0.12 119.26 119.64 1jec h ALA 211 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jec h ALA 211 Cb 0.63 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jec h ALA 211 CO 0.04 0.24 0.46 0.00 0.00 0.00 0.00 179.25 179.99 1jec h ALA 212 N 1.16 1.15 -0.21 0.00 0.00 -0.44 0.63 119.26 121.55 1jec h ALA 212 Ca 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jec h ALA 212 Cb 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1jec h ALA 212 CO -0.04 0.67 -0.14 -0.09 0.00 0.00 0.00 179.25 179.65 1jec h ARG 213 N 1.25 0.47 -0.11 0.00 2.43 -0.26 -0.67 114.38 117.48 1jec h ARG 213 Ca 0.31 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 1jec h ARG 213 Cb 0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1jec h ARG 213 CO -0.05 0.78 -0.55 0.93 -1.51 0.00 0.00 179.97 179.57 1jec h GLU 214 N 0.16 0.34 -0.01 0.20 4.39 -0.44 -3.02 114.58 116.19 1jec h GLU 214 Ca 0.04 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1jec h GLU 214 Cb 0.66 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1jec h GLU 214 CO 0.04 0.80 -0.09 0.00 -1.16 0.00 0.00 179.01 178.61 1jec n ALA 215 N -2.49 2.73 -3.81 3.43 0.00 0.19 -4.93 120.51 115.64 1jec n ALA 215 Ca -0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 1jec n ALA 215 Cb 0.59 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.95 1jec n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jec n ASN 216 N 0.02 -3.55 -4.29 0.00 4.13 -0.34 -4.97 115.26 106.25 1jec n ASN 216 Ca 0.16 -0.77 -0.17 0.00 1.68 0.00 0.00 54.58 55.49 1jec n ASN 216 Cb 0.37 -4.05 -0.10 0.00 -1.54 0.00 0.00 39.78 34.46 1jec n ASN 216 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jec s ALA 217 N -3.44 1.69 0.68 5.41 0.00 -0.68 -4.83 121.76 120.59 1jec s ALA 217 Ca 0.41 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 1jec s ALA 217 Cb -0.20 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1jec s ALA 217 CO 0.81 0.00 1.06 0.15 0.00 0.00 0.00 175.76 177.79 1jec s LYS 218 N -3.52 2.88 -0.14 0.00 -0.14 0.82 -4.53 119.74 115.09 1jec s LYS 218 Ca 0.18 0.38 -0.06 0.00 -1.36 0.00 0.00 55.97 55.11 1jec s LYS 218 Cb -0.00 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 1jec s LYS 218 CO 0.03 -0.97 0.06 0.08 -0.76 0.00 0.00 175.35 173.79 1jec s VAL 219 N -3.29 4.81 -0.28 3.17 1.01 0.12 -0.49 120.40 125.45 1jec s VAL 219 Ca 0.57 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1jec s VAL 219 Cb -0.11 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.22 1jec s VAL 219 CO 0.51 0.53 -0.05 -0.22 0.00 0.00 0.00 175.10 175.86 1jec s LEU 220 N -0.25 3.79 -0.51 3.92 2.96 0.03 -0.78 118.68 127.83 1jec s LEU 220 Ca 0.08 -1.50 -0.21 0.00 -0.22 0.00 0.00 54.13 52.27 1jec s LEU 220 Cb -0.12 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1jec s LEU 220 CO 0.01 -0.24 0.75 -0.63 -1.32 0.00 0.00 176.35 174.93 1jec s ILE 221 N 1.10 4.67 -0.83 6.68 1.01 -0.62 -0.77 121.20 132.45 1jec s ILE 221 Ca -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1jec s ILE 221 Cb -0.20 -4.38 0.26 0.00 0.01 0.00 0.00 42.46 38.15 1jec s ILE 221 CO -0.05 -0.90 1.00 1.57 0.00 0.00 0.00 174.94 176.57 1jec n HIS 222 N 6.69 3.25 -2.40 3.97 -0.00 -0.72 -2.11 115.22 123.90 1jec n HIS 222 Ca -0.02 -3.62 -0.36 0.00 0.46 0.00 0.00 57.72 54.17 1jec n HIS 222 Cb 0.47 -0.87 -0.02 0.00 -0.12 0.00 0.00 29.99 29.44 1jec n HIS 222 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1jec s PRO 223 N -2.42 3.79 0.01 1.57 0.04 -1.22 -4.27 135.00 132.51 1jec s PRO 223 Ca 0.35 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1jec s PRO 223 Cb 0.08 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1jec s PRO 223 CO 0.01 -0.48 0.93 0.08 0.04 0.00 0.00 177.00 177.58 1jec s VAL 224 N -1.73 4.82 -0.06 -0.36 1.01 -0.52 -0.60 120.40 122.96 1jec s VAL 224 Ca 0.65 1.96 0.09 0.00 0.00 0.00 0.00 61.98 64.67 1jec s VAL 224 Cb -0.23 -4.27 0.13 0.00 0.00 0.00 0.00 36.38 32.01 1jec s VAL 224 CO 0.27 0.21 1.02 1.33 0.00 0.00 0.00 175.10 177.93 1jec n VAL 225 N 3.62 1.02 0.00 2.92 0.24 0.16 -4.82 118.33 121.46 1jec n VAL 225 Ca 0.04 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1jec n VAL 225 Cb 0.51 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1jec n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jec n GLY 226 N -0.73 0.62 3.51 7.63 0.00 -1.16 -4.89 105.19 110.17 1jec n GLY 226 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1jec n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jec s LEU 227 N 0.00 3.02 0.00 0.99 1.43 -0.76 -4.97 118.68 118.39 1jec s LEU 227 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1jec s LEU 227 Cb 0.00 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1jec s LEU 227 CO 0.00 0.29 0.00 0.35 0.23 0.00 0.00 176.35 177.22 1jec n THR 228 N 2.73 0.00 -2.51 5.49 -2.24 -1.26 -0.29 114.28 116.20 1jec n THR 228 Ca -0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1jec n THR 228 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1jec n THR 228 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jec s LYS 229 N 2.39 4.04 0.23 -0.78 2.20 -1.26 -4.83 119.74 121.73 1jec s LYS 229 Ca 0.00 1.50 -0.30 0.00 -0.36 0.00 0.00 55.97 56.81 1jec s LYS 229 Cb 0.00 -2.42 -0.10 0.00 -1.51 0.00 0.00 37.83 33.80 1jec s LYS 229 CO 0.00 -0.25 1.41 -2.14 -0.36 0.00 0.00 175.35 174.01 1jec s PRO 230 N -2.69 4.30 0.00 4.03 0.02 -1.26 -1.99 135.00 137.41 1jec s PRO 230 Ca 0.61 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1jec s PRO 230 Cb -0.21 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1jec s PRO 230 CO 0.26 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1jec n GLY 231 N 2.31 0.85 3.63 0.52 0.00 -1.26 -5.06 105.19 106.18 1jec n GLY 231 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1jec n GLY 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jec s ASP 232 N -2.16 2.49 0.38 1.61 -0.00 -0.84 -4.96 116.67 113.19 1jec s ASP 232 Ca 0.00 2.06 -0.26 0.00 -0.00 0.00 0.00 52.55 54.36 1jec s ASP 232 Cb 0.00 -2.52 -0.09 0.00 -0.00 0.00 0.00 42.92 40.31 1jec s ASP 232 CO 0.00 -3.35 1.11 -0.63 -0.00 0.00 0.00 175.17 172.29 1jec s ILE 233 N -2.61 3.45 0.62 0.77 1.01 -1.26 -4.97 121.20 118.21 1jec s ILE 233 Ca 0.67 1.22 -0.19 0.00 0.00 0.00 0.00 60.65 62.35 1jec s ILE 233 Cb -0.23 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1jec s ILE 233 CO 0.59 0.11 1.19 -0.90 0.00 0.00 0.00 174.94 175.93 1jec n ASP 234 N 0.24 1.68 0.27 3.58 5.75 -1.26 -4.81 116.55 121.99 1jec n ASP 234 Ca 0.03 0.84 0.15 0.00 -0.01 0.00 0.00 54.79 55.80 1jec n ASP 234 Cb 0.47 -1.50 0.70 0.00 -1.03 0.00 0.00 41.12 39.77 1jec n ASP 234 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jec h HIS 235 N 0.60 0.00 -0.04 2.11 2.07 -1.93 -2.13 115.15 115.84 1jec h HIS 235 Ca -0.50 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1jec h HIS 235 Cb 1.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 1jec h HIS 235 CO 0.40 0.08 0.00 0.45 -3.07 0.00 0.00 177.93 175.80 1jec h HIS 236 N 0.00 0.06 0.05 6.12 3.86 -1.98 0.65 115.15 123.92 1jec h HIS 236 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jec h HIS 236 Cb 0.47 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1jec h HIS 236 CO 0.00 0.32 -0.11 1.15 0.86 0.00 0.00 177.93 180.15 1jec h THR 237 N -0.21 0.74 -0.58 2.45 2.02 -1.89 -1.48 112.91 113.96 1jec h THR 237 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1jec h THR 237 Cb 0.29 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1jec h THR 237 CO 0.00 0.00 0.36 0.03 0.37 0.00 0.00 175.52 176.28 1jec h ARG 238 N -0.21 0.70 -0.98 6.66 3.08 -1.23 -1.38 114.38 121.02 1jec h ARG 238 Ca 0.02 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1jec h ARG 238 Cb 0.24 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1jec h ARG 238 CO -0.08 0.47 0.65 0.28 -1.07 0.00 0.00 179.97 180.22 1jec h VAL 239 N 0.72 1.25 -0.74 2.04 2.07 0.53 0.23 116.25 122.35 1jec h VAL 239 Ca 0.22 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1jec h VAL 239 Cb -0.02 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.51 1jec h VAL 239 CO -0.08 0.24 0.47 0.03 0.02 0.00 0.00 177.57 178.25 1jec h ARG 240 N 1.32 0.90 -0.43 1.57 3.08 -0.34 0.15 114.38 120.64 1jec h ARG 240 Ca 0.36 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 1jec h ARG 240 Cb -0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.69 1jec h ARG 240 CO -0.08 0.59 0.11 0.28 -1.07 0.00 0.00 179.97 179.80 1jec h VAL 241 N 0.92 1.23 -0.16 2.04 2.07 -0.23 -1.68 116.25 120.44 1jec h VAL 241 Ca 0.29 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1jec h VAL 241 Cb 0.00 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1jec h VAL 241 CO -0.10 0.28 0.07 1.88 0.02 0.00 0.00 177.57 179.71 1jec h TYR 242 N 0.55 0.25 -0.19 1.57 0.99 -0.33 0.19 116.97 120.00 1jec h TYR 242 Ca 0.13 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.90 1jec h TYR 242 Cb 0.31 -0.07 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 1jec h TYR 242 CO 0.02 0.30 0.15 1.96 -0.00 0.00 0.00 178.16 180.59 1jec h GLN 243 N 0.12 0.00 0.06 4.88 4.20 -0.64 -0.07 115.11 123.65 1jec h GLN 243 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1jec h GLN 243 Cb 0.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1jec h GLN 243 CO -0.01 0.00 -0.38 1.49 -0.67 0.00 0.00 178.83 179.27 1jec h GLU 244 N 0.00 0.15 0.00 1.46 4.57 -0.24 -3.35 114.58 117.17 1jec h GLU 244 Ca 0.09 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 1jec h GLU 244 Cb 0.40 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1jec h GLU 244 CO -0.00 1.09 -0.41 0.97 -1.18 0.00 0.00 179.01 179.48 1jec h ILE 245 N -0.67 1.24 0.00 2.32 2.10 -0.09 -2.68 117.51 119.73 1jec h ILE 245 Ca -0.06 -1.45 0.00 0.00 1.08 0.00 0.00 64.86 64.43 1jec h ILE 245 Cb 1.27 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 1jec h ILE 245 CO 0.07 0.41 0.00 -0.29 -1.08 0.00 0.00 178.15 177.26 1jec h ILE 246 N 0.00 0.00 0.00 2.19 6.09 -1.16 0.29 117.51 124.93 1jec h ILE 246 Ca -0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1jec h ILE 246 Cb 0.76 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1jec h ILE 246 CO 0.05 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.42 1jec n LYS 247 N -3.02 0.28 -0.19 2.19 5.02 -1.01 -3.45 118.16 117.97 1jec n LYS 247 Ca -0.02 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 1jec n LYS 247 Cb 0.11 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.87 1jec n LYS 247 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jec n ARG 248 N -1.36 2.37 -3.24 1.97 5.12 0.10 -4.93 116.66 116.70 1jec n ARG 248 Ca 0.12 -2.08 -0.23 0.00 -1.93 0.00 0.00 57.85 53.72 1jec n ARG 248 Cb 0.27 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1jec n ARG 248 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jec s TYR 249 N -1.50 3.38 0.41 -1.55 1.51 -1.22 -5.03 117.35 113.35 1jec s TYR 249 Ca 0.38 0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 56.48 1jec s TYR 249 Cb 0.22 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1jec s TYR 249 CO 0.30 -0.06 1.19 -1.25 -1.11 0.00 0.00 175.55 174.63 1jec s PRO 250 N -4.40 3.97 0.16 -1.71 0.04 -1.26 -4.86 135.00 126.94 1jec s PRO 250 Ca 0.43 1.88 -0.33 0.00 0.04 0.00 0.00 61.00 63.03 1jec s PRO 250 Cb -0.10 -2.63 -0.17 0.00 0.04 0.00 0.00 34.50 31.64 1jec s PRO 250 CO 0.37 -0.41 1.01 0.09 0.04 0.00 0.00 177.00 178.11 1jec n ASN 251 N -0.04 0.62 -0.39 6.66 4.13 -1.26 -2.12 115.26 122.87 1jec n ASN 251 Ca 0.05 1.15 -0.05 0.00 1.68 0.00 0.00 54.58 57.40 1jec n ASN 251 Cb 0.46 -1.12 -0.02 0.00 -1.54 0.00 0.00 39.78 37.56 1jec n ASN 251 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jec n GLY 252 N 1.87 0.74 0.01 7.41 0.00 -1.26 -4.88 105.19 109.08 1jec n GLY 252 Ca 0.16 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1jec n GLY 252 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jec n ILE 253 N -2.71 0.03 -4.21 -0.61 3.06 -0.90 -4.99 119.36 109.04 1jec n ILE 253 Ca -0.05 -0.35 -0.18 0.00 -2.50 0.00 0.00 62.75 59.67 1jec n ILE 253 Cb 0.24 0.14 -0.12 0.00 0.54 0.00 0.00 39.64 40.44 1jec n ILE 253 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jec s ALA 254 N -3.00 1.34 -0.02 1.51 0.00 -1.26 0.15 121.76 120.47 1jec s ALA 254 Ca -0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1jec s ALA 254 Cb 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1jec s ALA 254 CO 0.61 0.13 -0.05 0.12 0.00 0.00 0.00 175.76 176.58 1jec s PHE 255 N -1.73 0.59 -0.23 0.00 5.36 0.04 -4.96 117.98 117.03 1jec s PHE 255 Ca 0.04 -0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 55.80 1jec s PHE 255 Cb -0.07 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.10 1jec s PHE 255 CO 0.02 -0.10 0.09 -1.17 -1.46 0.00 0.00 175.22 172.60 1jec s LEU 256 N 0.43 3.63 -0.01 6.12 2.96 -1.26 -1.59 118.68 128.96 1jec s LEU 256 Ca -0.05 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1jec s LEU 256 Cb -0.09 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1jec s LEU 256 CO -0.00 0.02 0.01 -0.55 -1.32 0.00 0.00 176.35 174.51 1jec s SER 257 N 1.28 0.06 0.02 3.68 0.15 -0.90 -4.91 113.70 113.08 1jec s SER 257 Ca 0.05 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.55 1jec s SER 257 Cb -0.15 -0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.08 1jec s SER 257 CO 0.04 -0.03 0.44 -0.76 1.20 0.00 0.00 173.24 174.12 1jec s LEU 258 N 0.31 4.48 -0.26 3.45 1.43 -0.60 -3.39 118.68 124.10 1jec s LEU 258 Ca -0.03 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1jec s LEU 258 Cb -0.04 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1jec s LEU 258 CO -0.01 0.31 -0.05 -0.22 0.23 0.00 0.00 176.35 176.61 1jec s LEU 259 N -1.12 3.32 0.00 1.79 2.96 0.23 -4.32 118.68 121.54 1jec s LEU 259 Ca 0.25 -0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1jec s LEU 259 Cb -0.17 -1.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.77 1jec s LEU 259 CO 0.14 -0.15 2.22 -0.81 -1.32 0.00 0.00 176.35 176.43 1jec n PRO 260 N 4.65 1.15 -2.65 0.98 -0.04 -1.26 -0.67 135.00 137.16 1jec n PRO 260 Ca -0.16 -0.31 -0.33 0.00 -0.04 0.00 0.00 63.50 62.66 1jec n PRO 260 Cb 0.46 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1jec n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jec s LEU 261 N 0.00 3.83 -0.46 1.53 2.96 -1.26 -4.57 118.68 120.71 1jec s LEU 261 Ca 0.21 1.70 -0.07 0.00 -0.22 0.00 0.00 54.13 55.74 1jec s LEU 261 Cb 0.10 -4.53 0.12 0.00 0.50 0.00 0.00 46.19 42.37 1jec s LEU 261 CO 0.00 -0.50 0.31 0.00 -1.32 0.00 0.00 176.35 174.84 1jec s ALA 262 N -2.27 3.34 0.61 5.97 0.00 -1.26 -1.83 121.76 126.32 1jec s ALA 262 Ca 0.62 -2.56 -0.18 0.00 0.00 0.00 0.00 51.96 49.84 1jec s ALA 262 Cb -0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1jec s ALA 262 CO 0.19 -1.89 1.17 -1.64 0.00 0.00 0.00 175.76 173.59 1jec s MET 263 N 1.26 2.91 -0.00 0.00 1.00 0.60 -4.89 119.30 120.17 1jec s MET 263 Ca 0.07 1.67 0.14 0.00 0.00 0.00 0.00 55.69 57.57 1jec s MET 263 Cb -0.25 -1.94 -0.15 0.00 0.00 0.00 0.00 34.83 32.49 1jec s MET 263 CO -0.02 -1.22 0.58 0.54 0.00 0.00 0.00 175.02 174.90 1jec n ARG 264 N -1.86 2.31 -3.53 2.03 3.00 -1.26 -4.77 116.66 112.59 1jec n ARG 264 Ca 0.12 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.85 57.74 1jec n ARG 264 Cb 0.51 -1.16 0.08 0.00 0.00 0.00 0.00 32.46 31.88 1jec n ARG 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1jec n MET 265 N -1.36 -7.51 -1.34 5.56 2.81 -1.26 -3.99 117.12 110.03 1jec n MET 265 Ca 0.02 0.80 -0.30 0.00 -1.81 0.00 0.00 57.70 56.42 1jec n MET 265 Cb 0.22 -5.76 0.04 0.00 -0.71 0.00 0.00 33.22 27.02 1jec n MET 265 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jec n SER 266 N -2.88 7.15 0.00 7.83 2.88 -1.16 -4.11 113.62 123.33 1jec n SER 266 Ca -0.03 -3.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.00 1jec n SER 266 Cb 0.57 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1jec n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jec n GLY 267 N -0.22 1.57 0.30 0.46 0.00 0.22 -1.65 105.19 105.87 1jec n GLY 267 Ca 0.50 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.79 1jec n GLY 267 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jec h ASP 268 N 0.00 0.90 -0.40 1.61 2.03 -1.88 0.28 116.42 118.97 1jec h ASP 268 Ca 0.00 -0.22 -0.02 0.00 -0.73 0.00 0.00 57.03 56.06 1jec h ASP 268 Cb 0.00 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.24 1jec h ASP 268 CO 0.00 0.93 0.15 0.03 -1.03 0.00 0.00 179.24 179.32 1jec h ARG 269 N 0.88 0.60 -0.31 4.15 3.08 -1.80 -2.37 114.38 118.61 1jec h ARG 269 Ca 0.17 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1jec h ARG 269 Cb 0.45 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1jec h ARG 269 CO 0.02 0.57 -0.08 1.49 -1.07 0.00 0.00 179.97 180.90 1jec h GLU 270 N 0.50 0.51 -0.64 0.04 4.81 -1.00 -1.74 114.58 117.06 1jec h GLU 270 Ca 0.13 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1jec h GLU 270 Cb 0.20 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1jec h GLU 270 CO -0.01 0.60 0.41 0.00 -0.73 0.00 0.00 179.01 179.27 1jec h ALA 271 N 1.44 0.82 -0.35 2.92 0.00 -0.54 0.30 119.26 123.85 1jec h ALA 271 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jec h ALA 271 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jec h ALA 271 CO 0.02 0.19 0.21 0.28 0.00 0.00 0.00 179.25 179.95 1jec h VAL 272 N 0.82 1.12 -0.69 0.00 2.07 -0.92 -2.01 116.25 116.64 1jec h VAL 272 Ca 0.24 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1jec h VAL 272 Cb -0.04 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1jec h VAL 272 CO -0.08 0.12 0.43 -0.25 0.02 0.00 0.00 177.57 177.81 1jec h TRP 273 N 0.45 0.81 -0.57 1.57 7.01 -0.46 -1.43 115.95 123.33 1jec h TRP 273 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1jec h TRP 273 Cb 0.01 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 1jec h TRP 273 CO -0.04 0.46 0.30 0.45 -2.79 0.00 0.00 178.44 176.82 1jec h HIS 274 N 0.85 0.77 -0.09 2.65 3.86 -0.06 0.71 115.15 123.83 1jec h HIS 274 Ca 0.28 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1jec h HIS 274 Cb 0.02 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1jec h HIS 274 CO -0.04 0.55 0.01 0.00 0.86 0.00 0.00 177.93 179.31 1jec h ALA 275 N 1.54 0.13 -0.28 2.45 0.00 -0.57 -0.52 119.26 122.01 1jec h ALA 275 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jec h ALA 275 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jec h ALA 275 CO -0.03 -0.21 0.07 0.82 0.00 0.00 0.00 179.25 179.90 1jec h ILE 276 N -0.09 0.90 -0.88 0.00 2.04 -0.82 -0.77 117.51 117.88 1jec h ILE 276 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jec h ILE 276 Cb 0.32 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1jec h ILE 276 CO 0.00 0.03 0.51 0.40 0.00 0.00 0.00 178.15 179.10 1jec h ILE 277 N 0.19 1.25 0.00 -0.67 2.04 -0.73 -1.60 117.51 117.98 1jec h ILE 277 Ca 0.13 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.31 1jec h ILE 277 Cb 0.11 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1jec h ILE 277 CO -0.15 0.26 -0.54 0.03 0.00 0.00 0.00 178.15 177.75 1jec h ARG 278 N 1.21 0.00 -0.63 2.37 -0.00 -0.60 -2.15 114.38 114.59 1jec h ARG 278 Ca 0.31 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.70 1jec h ARG 278 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.92 1jec h ARG 278 CO -0.06 0.54 0.04 -0.22 0.00 0.00 0.00 179.97 180.28 1jec h LYS 279 N 0.00 1.08 -0.35 0.04 3.64 -0.27 -0.35 116.57 120.35 1jec h LYS 279 Ca -0.01 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1jec h LYS 279 Cb 1.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1jec h LYS 279 CO 0.07 1.03 -0.07 -0.91 -2.27 0.00 0.00 179.45 177.30 1jec h ASN 280 N 0.99 0.56 0.30 4.20 2.35 -1.03 -1.54 115.58 121.41 1jec h ASN 280 Ca 0.18 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1jec h ASN 280 Cb 0.52 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1jec h ASN 280 CO 0.02 0.68 0.00 -1.22 -1.65 0.00 0.00 177.43 175.27 1jec n TYR 281 N -4.22 0.00 0.00 1.19 4.01 -0.83 -4.79 117.16 112.52 1jec n TYR 281 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1jec n TYR 281 Cb 0.31 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1jec n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jec n GLY 282 N 0.88 0.75 3.79 2.72 0.00 -0.58 -4.17 105.19 108.58 1jec n GLY 282 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1jec n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jec s ALA 283 N -2.00 3.11 -0.13 4.61 0.00 -0.19 -4.49 121.76 122.67 1jec s ALA 283 Ca 0.00 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.76 1jec s ALA 283 Cb 0.00 -3.24 -0.23 0.00 0.00 0.00 0.00 23.12 19.66 1jec s ALA 283 CO 0.00 -0.08 0.44 -1.13 0.00 0.00 0.00 175.76 175.00 1jec n SER 284 N 0.04 0.37 -4.26 0.00 3.41 -0.67 -4.22 113.62 108.29 1jec n SER 284 Ca 0.04 0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.67 1jec n SER 284 Cb 0.50 0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 65.15 1jec n SER 284 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jec s HIS 285 N -2.82 1.32 -0.15 7.33 3.76 -0.29 -0.93 115.29 123.52 1jec s HIS 285 Ca -0.07 -0.77 -0.19 0.00 -0.15 0.00 0.00 55.06 53.88 1jec s HIS 285 Cb 0.08 -0.68 0.05 0.00 1.11 0.00 0.00 32.58 33.14 1jec s HIS 285 CO 0.84 0.08 0.50 0.12 -0.85 0.00 0.00 174.74 175.43 1jec s PHE 286 N -3.32 -0.52 -0.19 1.40 5.36 -0.02 -0.92 117.98 119.77 1jec s PHE 286 Ca 0.18 1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 57.25 1jec s PHE 286 Cb 0.03 0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.87 1jec s PHE 286 CO 0.02 -0.33 0.07 0.42 -1.46 0.00 0.00 175.22 173.93 1jec s ILE 287 N -0.17 4.76 -0.24 3.12 1.01 -1.05 -0.99 121.20 127.64 1jec s ILE 287 Ca -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 1jec s ILE 287 Cb -0.03 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1jec s ILE 287 CO 0.02 0.44 0.05 -0.69 0.00 0.00 0.00 174.94 174.76 1jec s VAL 288 N 0.58 4.21 0.54 2.92 1.01 -1.26 -4.69 120.40 123.71 1jec s VAL 288 Ca 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1jec s VAL 288 Cb -0.13 -2.96 0.11 0.00 0.00 0.00 0.00 36.38 33.41 1jec s VAL 288 CO 0.01 0.36 0.74 0.61 0.00 0.00 0.00 175.10 176.82 1jec n GLY 289 N 4.82 0.05 3.71 4.51 0.00 -1.26 -4.40 105.19 112.62 1jec n GLY 289 Ca -0.16 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1jec n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jec s ARG 290 N -4.45 4.36 -1.57 1.61 3.52 -1.26 -2.25 118.95 118.90 1jec s ARG 290 Ca 0.47 1.90 -0.15 0.00 -0.13 0.00 0.00 55.73 57.81 1jec s ARG 290 Cb -0.02 -3.37 0.11 0.00 -1.56 0.00 0.00 34.95 30.10 1jec s ARG 290 CO 0.32 -0.39 0.90 -3.47 -0.81 0.00 0.00 175.30 171.85 1jec n ASP 291 N 4.30 -4.38 -4.61 -2.12 4.64 0.36 -4.82 116.55 109.92 1jec n ASP 291 Ca 0.11 -0.82 -0.50 0.00 -1.38 0.00 0.00 54.79 52.20 1jec n ASP 291 Cb 0.45 -3.52 -0.05 0.00 -1.04 0.00 0.00 41.12 36.96 1jec n ASP 291 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 1jec n HIS 292 N -4.56 1.67 -2.21 -0.67 -0.00 -0.96 -0.85 115.22 107.65 1jec n HIS 292 Ca 0.05 0.56 -0.12 0.00 -0.00 0.00 0.00 57.72 58.20 1jec n HIS 292 Cb 0.51 -2.37 -0.02 0.00 -0.00 0.00 0.00 29.99 28.11 1jec n HIS 292 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jec n ALA 293 N 2.48 -0.65 -2.54 1.57 0.00 -1.26 -4.26 120.51 115.84 1jec n ALA 293 Ca 0.17 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 1jec n ALA 293 Cb 0.23 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1jec n ALA 293 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jec s GLY 294 N -2.03 2.37 0.00 0.00 0.00 -0.03 -0.61 107.32 107.02 1jec s GLY 294 Ca 0.00 -0.33 0.30 0.00 0.00 0.00 0.00 44.72 44.69 1jec s GLY 294 CO 0.00 -0.09 1.95 -1.55 0.00 0.00 0.00 173.10 173.41 1jec n PRO 295 N 1.00 0.91 0.00 2.90 -0.04 -1.26 -4.96 135.00 133.56 1jec n PRO 295 Ca -0.08 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1jec n PRO 295 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1jec n PRO 295 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jec n GLY 296 N 1.19 0.80 3.58 0.55 0.00 -1.26 -4.98 105.19 105.06 1jec n GLY 296 Ca 0.18 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 1jec n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jec s LYS 297 N 0.00 2.08 0.00 1.61 1.02 -1.26 0.45 119.74 123.64 1jec s LYS 297 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1jec s LYS 297 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1jec s LYS 297 CO 0.00 0.41 0.00 0.27 -0.92 0.00 0.00 175.35 175.11 1jec n ASN 298 N -0.23 0.00 -0.15 2.83 2.04 0.55 -4.88 115.26 115.42 1jec n ASN 298 Ca -0.09 -0.95 -0.06 0.00 -0.44 0.00 0.00 54.58 53.03 1jec n ASN 298 Cb 0.57 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.85 1jec n ASN 298 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1jec h SER 299 N 0.00 0.42 0.00 0.53 0.02 -1.98 -0.64 113.55 111.89 1jec h SER 299 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1jec h SER 299 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1jec h SER 299 CO 0.00 0.29 0.00 0.29 -1.14 0.00 0.00 176.83 176.27 1jec n LYS 300 N -4.85 0.35 -1.01 3.45 4.76 -1.26 -4.76 118.16 114.84 1jec n LYS 300 Ca 0.03 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1jec n LYS 300 Cb 0.08 -1.04 -0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1jec n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jec n GLY 301 N -0.16 0.30 3.84 0.72 0.00 -0.25 -5.00 105.19 104.64 1jec n GLY 301 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1jec n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jec s VAL 302 N -1.57 4.90 0.20 1.61 0.11 -1.26 -4.72 120.40 119.67 1jec s VAL 302 Ca 0.00 0.84 -0.32 0.00 -2.93 0.00 0.00 61.98 59.57 1jec s VAL 302 Cb 0.00 -3.75 -0.11 0.00 -1.53 0.00 0.00 36.38 30.99 1jec s VAL 302 CO 0.00 0.36 1.69 -1.81 -3.33 0.00 0.00 175.10 172.02 1jec s ASP 303 N -1.51 6.43 0.25 3.54 1.01 -1.26 -0.33 116.67 124.80 1jec s ASP 303 Ca 0.33 2.81 0.01 0.00 0.71 0.00 0.00 52.55 56.41 1jec s ASP 303 Cb -0.16 -2.60 0.32 0.00 1.01 0.00 0.00 42.92 41.50 1jec s ASP 303 CO 0.18 -0.94 1.66 -0.26 0.21 0.00 0.00 175.17 176.02 1jec h PHE 304 N 6.87 0.57 -4.06 4.23 -1.00 -0.34 -3.45 116.94 119.76 1jec h PHE 304 Ca -0.43 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.07 1jec h PHE 304 Cb 1.20 -0.13 -0.17 0.00 3.61 0.00 0.00 35.95 40.46 1jec h PHE 304 CO 0.65 0.77 -0.64 0.71 -1.61 0.00 0.00 178.31 178.19 1jec s TYR 305 N -4.35 0.37 0.39 -0.55 1.51 -1.26 -5.05 117.35 108.41 1jec s TYR 305 Ca -0.07 -0.79 -0.24 0.00 -1.01 0.00 0.00 57.07 54.96 1jec s TYR 305 Cb 0.13 -0.27 -0.09 0.00 -0.11 0.00 0.00 41.96 41.62 1jec s TYR 305 CO 0.80 -0.34 1.03 0.20 -1.11 0.00 0.00 175.55 176.14 1jec s GLY 306 N -2.38 2.74 0.59 0.71 0.00 -1.26 -4.92 107.32 102.80 1jec s GLY 306 Ca -0.01 0.67 0.29 0.00 0.00 0.00 0.00 44.72 45.66 1jec s GLY 306 CO -0.07 1.10 1.85 -0.56 0.00 0.00 0.00 173.10 175.42 1jec h PRO 307 N 2.60 0.00 -0.25 2.90 0.13 -1.97 -2.18 132.00 133.23 1jec h PRO 307 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jec h PRO 307 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jec h PRO 307 CO 0.63 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 1jec n TYR 308 N -3.63 0.41 -0.20 1.56 4.02 -1.26 -0.49 117.16 117.57 1jec n TYR 308 Ca 0.09 -0.57 -0.07 0.00 -0.01 0.00 0.00 57.90 57.34 1jec n TYR 308 Cb 0.73 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 40.00 1jec n TYR 308 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1jec h ASP 309 N 1.48 0.71 0.86 7.72 3.45 -1.77 -1.45 116.42 127.42 1jec h ASP 309 Ca 0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.33 1jec h ASP 309 Cb 0.79 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.38 1jec h ASP 309 CO 0.03 0.59 -0.50 0.00 -1.57 0.00 0.00 179.24 177.79 1jec h ALA 310 N 1.14 -1.30 -0.92 3.45 0.00 -1.82 0.15 119.26 119.97 1jec h ALA 310 Ca 0.20 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1jec h ALA 310 Cb 0.04 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1jec h ALA 310 CO -0.03 -1.25 0.59 1.96 0.00 0.00 0.00 179.25 180.52 1jec h GLN 311 N -1.26 0.78 -0.33 0.00 4.20 -1.80 -0.73 115.11 115.96 1jec h GLN 311 Ca -0.12 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 1jec h GLN 311 Cb 1.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1jec h GLN 311 CO 0.14 0.52 -0.28 0.93 -0.67 0.00 0.00 178.83 179.46 1jec h GLU 312 N 0.80 0.78 -0.30 1.46 5.08 -0.92 -1.81 114.58 119.68 1jec h GLU 312 Ca 0.45 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jec h GLU 312 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1jec h GLU 312 CO -0.22 1.02 0.06 1.25 -1.00 0.00 0.00 179.01 180.13 1jec h LEU 313 N 0.56 0.47 -0.99 1.33 6.46 0.11 -1.20 115.31 122.05 1jec h LEU 313 Ca 0.06 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1jec h LEU 313 Cb 0.86 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 1jec h LEU 313 CO 0.07 0.59 0.40 0.58 -0.62 0.00 0.00 178.44 179.47 1jec h VAL 314 N 0.32 1.24 -0.23 1.05 2.07 -1.16 -1.37 116.25 118.17 1jec h VAL 314 Ca 0.09 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1jec h VAL 314 Cb 0.32 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1jec h VAL 314 CO 0.00 0.28 -0.13 -0.08 0.02 0.00 0.00 177.57 177.66 1jec h GLU 315 N 1.12 0.39 0.00 1.57 4.57 -1.14 -2.00 114.58 119.08 1jec h GLU 315 Ca 0.28 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1jec h GLU 315 Cb 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1jec h GLU 315 CO -0.04 0.52 0.00 0.66 -1.18 0.00 0.00 179.01 178.97 1jec h SER 316 N 0.36 0.00 -0.36 1.04 4.64 -0.07 -2.50 113.55 116.67 1jec h SER 316 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jec h SER 316 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1jec h SER 316 CO 0.03 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.77 1jec n TYR 317 N -2.79 0.46 -0.30 4.77 0.53 -0.87 -4.69 117.16 114.26 1jec n TYR 317 Ca 0.02 -0.32 0.14 0.00 -1.02 0.00 0.00 57.90 56.72 1jec n TYR 317 Cb 0.32 -0.01 0.31 0.00 -1.03 0.00 0.00 39.34 38.93 1jec n TYR 317 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1jec h LYS 318 N 3.30 0.31 0.00 -0.72 3.64 -0.91 -0.87 116.57 121.33 1jec h LYS 318 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jec h LYS 318 Cb 0.82 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1jec h LYS 318 CO 0.00 0.21 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 1jec n HIS 319 N -5.11 0.00 -0.34 1.91 8.25 -1.26 -3.23 115.22 115.44 1jec n HIS 319 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1jec n HIS 319 Cb 0.69 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1jec n HIS 319 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1jec n GLU 320 N -1.24 0.61 0.06 -0.41 0.28 -0.40 -4.77 120.64 114.77 1jec n GLU 320 Ca 0.10 -0.20 -0.09 0.00 -0.16 0.00 0.00 57.16 56.81 1jec n GLU 320 Cb 0.13 -0.63 0.04 0.00 1.43 0.00 0.00 31.44 32.40 1jec n GLU 320 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1jec h LEU 321 N 0.00 0.44 0.05 -1.84 3.38 -1.33 -3.48 115.31 112.54 1jec h LEU 321 Ca 0.00 -0.29 -0.38 0.00 0.09 0.00 0.00 57.88 57.30 1jec h LEU 321 Cb 0.17 -0.13 0.09 0.00 0.09 0.00 0.00 40.66 40.88 1jec h LEU 321 CO 0.00 1.02 -0.60 -0.67 0.09 0.00 0.00 178.44 178.29 1jec n ASP 322 N -3.83 -5.97 -3.66 -0.43 2.03 -1.26 -4.92 116.55 98.51 1jec n ASP 322 Ca -0.04 -0.38 -0.08 0.00 0.52 0.00 0.00 54.79 54.81 1jec n ASP 322 Cb 0.70 -4.69 -0.09 0.00 -0.72 0.00 0.00 41.12 36.32 1jec n ASP 322 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1jec s ILE 323 N -3.22 -0.49 0.24 5.18 2.07 -1.26 -4.77 121.20 118.95 1jec s ILE 323 Ca 0.41 0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 59.46 1jec s ILE 323 Cb -0.18 -0.73 -0.09 0.00 0.13 0.00 0.00 42.46 41.59 1jec s ILE 323 CO 0.51 0.05 1.34 -1.61 -1.91 0.00 0.00 174.94 173.31 1jec s GLU 324 N 2.27 4.36 -0.31 3.50 2.02 -0.11 -4.87 118.70 125.56 1jec s GLU 324 Ca -0.05 2.15 -0.09 0.00 0.02 0.00 0.00 54.97 57.00 1jec s GLU 324 Cb -0.11 -3.14 -0.00 0.00 0.10 0.00 0.00 34.13 30.98 1jec s GLU 324 CO -0.14 -0.27 0.14 0.08 0.02 0.00 0.00 175.26 175.09 1jec s VAL 325 N -0.23 4.50 0.11 2.63 1.01 -1.26 -0.84 120.40 126.33 1jec s VAL 325 Ca 0.55 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1jec s VAL 325 Cb -0.39 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1jec s VAL 325 CO 0.43 0.06 0.94 -0.69 0.00 0.00 0.00 175.10 175.84 1jec s VAL 326 N 1.59 4.52 0.41 2.92 1.01 -0.17 -4.93 120.40 125.76 1jec s VAL 326 Ca 0.04 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 1jec s VAL 326 Cb -0.17 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 1jec s VAL 326 CO 0.06 0.33 1.48 -2.16 0.00 0.00 0.00 175.10 174.80 1jec s PRO 327 N -0.03 3.92 -0.52 2.72 0.04 -1.26 -4.19 135.00 135.69 1jec s PRO 327 Ca 0.46 2.54 -0.26 0.00 0.04 0.00 0.00 61.00 63.78 1jec s PRO 327 Cb -0.23 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.50 1jec s PRO 327 CO 0.29 -0.67 1.03 0.12 0.04 0.00 0.00 177.00 177.81 1jec s PHE 328 N -1.15 2.79 -0.83 0.56 5.36 -1.26 -4.98 117.98 118.48 1jec s PHE 328 Ca 0.56 0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 56.82 1jec s PHE 328 Cb -0.46 -4.20 0.21 0.00 -0.34 0.00 0.00 43.02 38.22 1jec s PHE 328 CO 0.61 -1.32 0.70 1.03 -1.46 0.00 0.00 175.22 174.78 1jec s ARG 329 N 4.21 3.12 0.46 10.12 1.81 -1.26 -5.02 118.95 132.39 1jec s ARG 329 Ca 0.38 -3.07 -0.25 0.00 -1.72 0.00 0.00 55.73 51.08 1jec s ARG 329 Cb -0.10 -3.92 -0.08 0.00 -0.45 0.00 0.00 34.95 30.40 1jec s ARG 329 CO 0.25 -1.24 1.40 -0.12 -0.68 0.00 0.00 175.30 174.91 1jec n MET 330 N 2.68 2.13 -4.21 3.54 0.00 -1.26 -4.78 117.12 115.21 1jec n MET 330 Ca 0.18 0.76 -0.27 0.00 -0.00 0.00 0.00 57.70 58.37 1jec n MET 330 Cb 0.38 -2.60 -0.08 0.00 0.00 0.00 0.00 33.22 30.92 1jec n MET 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1jec s VAL 331 N -1.21 3.68 0.11 1.12 -7.23 -1.26 -0.35 120.40 115.25 1jec s VAL 331 Ca 0.63 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1jec s VAL 331 Cb -0.45 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1jec s VAL 331 CO 0.56 -0.10 -0.08 0.28 -0.31 0.00 0.00 175.10 175.45 1jec s THR 332 N -1.71 0.85 -0.00 5.32 -1.32 -0.31 -4.81 115.64 113.66 1jec s THR 332 Ca 0.27 -1.88 -0.21 0.00 -1.21 0.00 0.00 61.69 58.66 1jec s THR 332 Cb -0.09 -1.62 -0.05 0.00 -1.51 0.00 0.00 72.50 69.23 1jec s THR 332 CO 0.18 -0.76 0.62 -0.47 -2.21 0.00 0.00 174.62 171.98 1jec s TYR 333 N -3.23 3.68 -0.57 9.09 5.04 -1.22 -1.58 117.35 128.55 1jec s TYR 333 Ca 0.11 1.23 -0.11 0.00 -2.44 0.00 0.00 57.07 55.86 1jec s TYR 333 Cb 0.02 -2.65 0.15 0.00 0.35 0.00 0.00 41.96 39.83 1jec s TYR 333 CO -0.02 0.32 0.47 -0.51 -1.34 0.00 0.00 175.55 174.47 1jec s LEU 334 N -0.09 5.97 0.16 6.97 1.43 0.10 -1.36 118.68 131.85 1jec s LEU 334 Ca 0.32 -2.13 -0.26 0.00 -1.03 0.00 0.00 54.13 51.03 1jec s LEU 334 Cb -0.18 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1jec s LEU 334 CO 0.18 -0.68 1.57 -0.65 0.23 0.00 0.00 176.35 177.01 1jec h PRO 335 N 8.28 -0.28 0.00 1.29 0.11 -1.85 0.40 132.00 139.95 1jec h PRO 335 Ca -0.15 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1jec h PRO 335 Cb 1.06 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jec h PRO 335 CO 0.87 -0.19 0.10 -0.44 -0.21 0.00 0.00 178.00 178.13 1jec h ASP 336 N -0.29 0.00 -0.00 -2.05 3.45 -1.94 -2.07 116.42 113.52 1jec h ASP 336 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1jec h ASP 336 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1jec h ASP 336 CO -0.61 0.00 -0.00 -0.62 -1.57 0.00 0.00 179.24 176.44 1jec n GLU 337 N -2.53 -0.03 -3.73 3.56 1.02 -0.51 -5.02 120.64 113.40 1jec n GLU 337 Ca -0.02 -0.49 -0.22 0.00 -0.02 0.00 0.00 57.16 56.41 1jec n GLU 337 Cb 0.14 -0.96 0.03 0.00 -0.02 0.00 0.00 31.44 30.63 1jec n GLU 337 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jec n ASP 338 N -0.07 -1.43 -3.76 1.62 10.43 0.01 -4.96 116.55 118.39 1jec n ASP 338 Ca 0.00 -0.82 -0.08 0.00 2.57 0.00 0.00 54.79 56.46 1jec n ASP 338 Cb 0.02 -4.01 -0.02 0.00 1.84 0.00 0.00 41.12 38.96 1jec n ASP 338 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jec s ARG 339 N -6.06 1.67 0.05 -1.24 1.70 -1.21 -5.01 118.95 108.86 1jec s ARG 339 Ca 0.06 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 1jec s ARG 339 Cb -0.03 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 1jec s ARG 339 CO 0.82 -0.76 0.03 0.71 -1.08 0.00 0.00 175.30 175.02 1jec s TYR 340 N -3.87 3.10 0.02 5.89 1.51 -1.26 0.01 117.35 122.75 1jec s TYR 340 Ca 0.09 0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 56.11 1jec s TYR 340 Cb -0.05 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1jec s TYR 340 CO 0.03 0.49 0.20 0.00 -1.11 0.00 0.00 175.55 175.16 1jec s ALA 341 N -1.26 -0.44 0.16 3.71 0.00 -0.61 -4.94 121.76 118.39 1jec s ALA 341 Ca 0.25 -0.11 -0.33 0.00 0.00 0.00 0.00 51.96 51.76 1jec s ALA 341 Cb -0.12 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 23.06 1jec s ALA 341 CO 0.17 -0.29 1.68 -2.30 0.00 0.00 0.00 175.76 175.02 1jec n PRO 342 N 1.04 2.47 -0.06 0.00 -0.02 -1.26 -1.17 135.00 136.00 1jec n PRO 342 Ca -0.21 0.89 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 1jec n PRO 342 Cb 0.57 -2.71 0.64 0.00 -0.02 0.00 0.00 33.50 31.97 1jec n PRO 342 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jec h ILE 343 N 3.92 0.74 0.00 4.25 2.04 -1.00 0.11 117.51 127.56 1jec h ILE 343 Ca -0.45 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1jec h ILE 343 Cb 1.23 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1jec h ILE 343 CO 0.93 0.02 0.00 -0.90 0.00 0.00 0.00 178.15 178.20 1jec n ASP 344 N -4.40 0.00 -0.02 1.72 5.68 -1.26 -3.09 116.55 115.18 1jec n ASP 344 Ca 0.12 -1.05 0.05 0.00 -0.50 0.00 0.00 54.79 53.40 1jec n ASP 344 Cb 0.61 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1jec n ASP 344 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jec n GLN 345 N -0.83 3.65 -4.28 0.11 6.02 0.02 -5.02 117.38 117.04 1jec n GLN 345 Ca 0.13 -0.06 -0.30 0.00 -0.01 0.00 0.00 57.00 56.76 1jec n GLN 345 Cb 0.06 -0.97 -0.11 0.00 1.02 0.00 0.00 30.24 30.24 1jec n GLN 345 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1jec s ILE 346 N -1.86 3.09 -0.51 5.09 -5.25 -1.18 -5.06 121.20 115.53 1jec s ILE 346 Ca 0.04 -1.38 -0.20 0.00 -0.99 0.00 0.00 60.65 58.12 1jec s ILE 346 Cb 0.07 -2.43 0.05 0.00 2.95 0.00 0.00 42.46 43.11 1jec s ILE 346 CO 0.38 0.12 0.69 -0.62 -1.79 0.00 0.00 174.94 173.72 1jec s ASP 347 N -2.14 6.26 0.29 4.36 -1.08 -1.26 -4.94 116.67 118.16 1jec s ASP 347 Ca 0.19 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1jec s ASP 347 Cb -0.11 -2.32 0.65 0.00 -1.46 0.00 0.00 42.92 39.68 1jec s ASP 347 CO 0.12 -0.94 1.60 0.71 0.52 0.00 0.00 175.17 177.17 1jec h THR 348 N 5.89 0.14 -2.89 1.71 1.35 -1.94 -1.01 112.91 116.16 1jec h THR 348 Ca -0.27 -0.02 -0.81 0.00 -0.55 0.00 0.00 66.41 64.77 1jec h THR 348 Cb 1.09 0.08 -0.27 0.00 -1.73 0.00 0.00 68.15 67.32 1jec h THR 348 CO 0.98 0.01 0.83 0.35 -0.25 0.00 0.00 175.52 177.44 1jec n THR 349 N -5.43 5.21 0.00 6.82 -2.24 -1.26 -3.88 114.28 113.50 1jec n THR 349 Ca 0.20 -5.79 0.00 0.00 -2.27 0.00 0.00 64.05 56.19 1jec n THR 349 Cb 0.66 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1jec n THR 349 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1jec n LYS 350 N 1.63 0.00 -3.98 -0.78 0.00 -0.88 -5.14 118.16 109.02 1jec n LYS 350 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.43 1jec n LYS 350 Cb 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.22 1jec n LYS 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jec s THR 351 N 0.00 0.18 0.03 3.15 2.01 -0.44 -4.99 115.64 115.58 1jec s THR 351 Ca 0.00 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1jec s THR 351 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1jec s THR 351 CO 0.00 0.08 1.05 -0.13 -0.69 0.00 0.00 174.62 174.93 1jec s ARG 352 N 0.29 4.53 0.01 4.92 0.52 -1.26 -4.63 118.95 123.32 1jec s ARG 352 Ca -0.03 1.54 0.02 0.00 -0.52 0.00 0.00 55.73 56.74 1jec s ARG 352 Cb -0.05 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 1jec s ARG 352 CO -0.01 -0.10 -0.06 0.95 0.02 0.00 0.00 175.30 176.11 1jec s THR 353 N 0.94 0.41 0.08 0.02 -4.23 -1.26 -3.95 115.64 107.65 1jec s THR 353 Ca 0.54 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1jec s THR 353 Cb -0.24 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1jec s THR 353 CO 0.29 -0.04 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.37 1jec s LEU 354 N -0.53 2.25 -0.09 4.79 1.43 -0.47 -4.97 118.68 121.09 1jec s LEU 354 Ca -0.02 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1jec s LEU 354 Cb -0.04 -0.87 0.10 0.00 0.03 0.00 0.00 46.19 45.41 1jec s LEU 354 CO -0.00 0.08 0.84 0.54 0.23 0.00 0.00 176.35 178.04 1jec s ASN 355 N -1.64 -0.50 -0.28 2.29 4.22 -1.26 -3.44 114.94 114.33 1jec s ASN 355 Ca 0.06 0.50 -0.03 0.00 -2.14 0.00 0.00 52.86 51.25 1jec s ASN 355 Cb -0.10 0.42 0.03 0.00 1.28 0.00 0.00 41.25 42.89 1jec s ASN 355 CO 0.03 -0.49 0.00 -0.63 -2.04 0.00 0.00 177.10 173.97 1jec s ILE 356 N -1.34 3.19 0.94 0.54 1.01 -1.26 -5.10 121.20 119.17 1jec s ILE 356 Ca -0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 1jec s ILE 356 Cb -0.00 -2.72 0.15 0.00 0.01 0.00 0.00 42.46 39.90 1jec s ILE 356 CO 0.04 0.03 1.09 -0.94 0.00 0.00 0.00 174.94 175.16 1jec s SER 357 N 1.34 3.01 0.21 3.58 1.04 -1.26 -4.76 113.70 116.86 1jec s SER 357 Ca -0.02 1.64 -0.09 0.00 0.48 0.00 0.00 55.95 57.96 1jec s SER 357 Cb -0.18 -2.28 0.17 0.00 0.10 0.00 0.00 66.02 63.82 1jec s SER 357 CO -0.01 -2.95 1.83 1.23 0.98 0.00 0.00 173.24 174.32 1jec h GLY 358 N -1.76 1.19 0.57 7.32 0.00 -1.99 -0.57 103.07 107.84 1jec h GLY 358 Ca -0.50 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.32 1jec h GLY 358 CO 0.51 0.52 -0.13 -0.84 0.00 0.00 0.00 176.54 176.61 1jec h THR 359 N 1.11 0.66 -0.75 4.70 2.02 -1.99 0.99 112.91 119.65 1jec h THR 359 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 1jec h THR 359 Cb 0.03 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1jec h THR 359 CO -0.05 0.00 0.27 -0.08 0.37 0.00 0.00 175.52 176.04 1jec h GLU 360 N -0.17 1.13 -0.52 6.66 4.57 -1.85 -1.57 114.58 122.84 1jec h GLU 360 Ca 0.08 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1jec h GLU 360 Cb 0.27 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1jec h GLU 360 CO -0.19 0.93 0.29 1.25 -1.18 0.00 0.00 179.01 180.11 1jec h LEU 361 N 1.10 0.64 -0.96 1.64 5.85 -0.55 -1.08 115.31 121.94 1jec h LEU 361 Ca 0.25 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1jec h LEU 361 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1jec h LEU 361 CO -0.02 0.53 0.63 -0.09 -0.34 0.00 0.00 178.44 179.16 1jec h ARG 362 N 0.69 1.22 0.44 1.25 2.43 -0.40 -1.81 114.38 118.20 1jec h ARG 362 Ca 0.18 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1jec h ARG 362 Cb 0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1jec h ARG 362 CO -0.03 0.80 -0.21 -0.09 -1.51 0.00 0.00 179.97 178.93 1jec h ARG 363 N 1.25 -0.57 -1.00 0.20 2.43 -0.63 -0.67 114.38 115.39 1jec h ARG 363 Ca 0.37 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.77 1jec h ARG 363 Cb -0.06 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.51 1jec h ARG 363 CO -0.10 -0.30 0.61 0.00 -1.51 0.00 0.00 179.97 178.67 1jec h ARG 364 N -0.76 0.73 -0.16 0.20 3.08 -1.01 0.17 114.38 116.63 1jec h ARG 364 Ca -0.06 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1jec h ARG 364 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1jec h ARG 364 CO 0.10 0.48 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.88 1jec h LEU 365 N 0.75 0.50 -0.95 3.04 3.38 -1.17 0.56 115.31 121.43 1jec h LEU 365 Ca 0.57 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1jec h LEU 365 Cb 0.91 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1jec h LEU 365 CO -0.37 0.94 -0.50 -0.09 0.09 0.00 0.00 178.44 178.51 1jec h ARG 366 N 0.35 0.00 -0.24 1.13 2.43 0.85 -3.17 114.38 115.73 1jec h ARG 366 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jec h ARG 366 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1jec h ARG 366 CO 0.09 0.50 0.00 1.33 -1.51 0.00 0.00 179.97 180.39 1jec n VAL 367 N -3.83 0.42 -2.13 0.20 0.24 -0.16 -1.47 118.33 111.61 1jec n VAL 367 Ca -0.01 -0.71 -0.11 0.00 -2.04 0.00 0.00 64.34 61.46 1jec n VAL 367 Cb 0.53 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.90 1jec n VAL 367 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jec n GLY 368 N 1.04 0.04 3.89 7.63 0.00 -0.08 -4.91 105.19 112.80 1jec n GLY 368 Ca 0.14 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1jec n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jec s GLY 369 N -2.52 1.62 0.47 -0.02 0.00 0.18 -5.01 107.32 102.04 1jec s GLY 369 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 1jec s GLY 369 CO 0.00 -0.10 1.10 1.85 0.00 0.00 0.00 173.10 175.95 1jec s GLU 370 N -5.35 3.78 -0.15 2.90 2.12 -1.26 -4.72 118.70 116.02 1jec s GLU 370 Ca 0.58 1.57 -0.01 0.00 0.36 0.00 0.00 54.97 57.48 1jec s GLU 370 Cb -0.11 -2.28 0.04 0.00 0.26 0.00 0.00 34.13 32.05 1jec s GLU 370 CO 0.50 -0.48 -0.02 0.42 -0.54 0.00 0.00 175.26 175.14 1jec s ILE 371 N -1.73 0.80 0.45 -3.70 1.01 -1.26 -5.00 121.20 111.77 1jec s ILE 371 Ca 0.65 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 1jec s ILE 371 Cb -0.23 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.11 1jec s ILE 371 CO 0.28 0.07 1.37 -2.16 0.00 0.00 0.00 174.94 174.50 1jec s PRO 372 N 1.77 3.71 0.64 2.79 0.05 -1.26 -4.90 135.00 137.80 1jec s PRO 372 Ca 0.01 2.29 0.40 0.00 0.05 0.00 0.00 61.00 63.75 1jec s PRO 372 Cb -0.15 -2.63 2.17 0.00 0.05 0.00 0.00 34.50 33.94 1jec s PRO 372 CO -0.07 -0.75 2.30 0.93 0.05 0.00 0.00 177.00 179.46 1jec h GLU 373 N 2.32 0.00 0.00 4.56 5.08 -1.97 0.04 114.58 124.62 1jec h GLU 373 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1jec h GLU 373 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1jec h GLU 373 CO 0.61 0.01 0.00 0.11 -1.00 0.00 0.00 179.01 178.74 1jec h TRP 374 N 0.00 0.00 0.00 4.33 5.08 -2.01 -3.24 115.95 120.12 1jec h TRP 374 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 1jec h TRP 374 Cb 0.08 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.21 1jec h TRP 374 CO 0.00 0.00 -1.20 0.35 -1.28 0.00 0.00 178.44 176.31 1jec h PHE 375 N 0.00 0.01 -3.01 0.12 3.57 -1.36 -3.45 116.94 112.82 1jec h PHE 375 Ca 0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1jec h PHE 375 Cb 0.57 -0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.09 1jec h PHE 375 CO 0.00 1.47 -0.31 0.45 -2.23 0.00 0.00 178.31 177.69 1jec s SER 376 N -6.82 -0.25 0.42 0.41 0.15 -1.08 -1.87 113.70 104.65 1jec s SER 376 Ca -0.28 0.35 -0.26 0.00 0.70 0.00 0.00 55.95 56.45 1jec s SER 376 Cb 0.05 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.75 1jec s SER 376 CO 0.60 -0.28 1.43 -0.31 1.20 0.00 0.00 173.24 175.88 1jec s TYR 377 N -0.61 2.54 0.18 3.44 1.51 -1.26 -4.17 117.35 118.98 1jec s TYR 377 Ca -0.07 1.25 -0.13 0.00 -1.01 0.00 0.00 57.07 57.11 1jec s TYR 377 Cb -0.04 -3.92 0.17 0.00 -0.11 0.00 0.00 41.96 38.06 1jec s TYR 377 CO 0.02 -2.86 1.73 -1.00 -1.11 0.00 0.00 175.55 172.33 1jec h PRO 378 N 2.58 0.26 -0.28 -1.71 0.13 -1.93 -0.41 132.00 130.65 1jec h PRO 378 Ca -0.51 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1jec h PRO 378 Cb 1.26 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1jec h PRO 378 CO 0.62 0.17 0.19 1.05 -0.23 0.00 0.00 178.00 179.81 1jec h GLU 379 N 0.27 0.07 -0.18 0.86 9.09 -2.00 0.96 114.58 123.65 1jec h GLU 379 Ca 0.24 -0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.52 1jec h GLU 379 Cb 0.30 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1jec h GLU 379 CO -0.29 0.04 -0.36 0.28 0.05 0.00 0.00 179.01 178.73 1jec h VAL 380 N 0.07 1.34 -0.61 -1.06 2.07 -1.47 -3.01 116.25 113.57 1jec h VAL 380 Ca 0.13 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1jec h VAL 380 Cb 0.43 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1jec h VAL 380 CO -0.01 0.49 0.20 0.58 0.02 0.00 0.00 177.57 178.85 1jec h VAL 381 N 0.23 1.23 -0.95 2.57 2.07 -0.26 -2.31 116.25 118.83 1jec h VAL 381 Ca 0.01 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1jec h VAL 381 Cb 0.96 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1jec h VAL 381 CO 0.08 0.30 0.62 0.50 0.02 0.00 0.00 177.57 179.09 1jec h LYS 382 N 0.89 1.19 -0.40 1.57 3.64 -0.85 -0.96 116.57 121.66 1jec h LYS 382 Ca 0.20 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1jec h LYS 382 Cb 0.24 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1jec h LYS 382 CO -0.01 0.79 0.11 0.82 -2.27 0.00 0.00 179.45 178.89 1jec h ILE 383 N 1.23 1.22 -0.79 2.00 2.04 -1.30 -2.53 117.51 119.38 1jec h ILE 383 Ca 0.37 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1jec h ILE 383 Cb -0.05 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1jec h ILE 383 CO -0.11 0.26 0.38 -0.07 0.00 0.00 0.00 178.15 178.62 1jec h LEU 384 N 0.50 1.03 -1.26 1.44 3.38 -0.90 -2.46 115.31 117.04 1jec h LEU 384 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jec h LEU 384 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1jec h LEU 384 CO -0.00 0.87 0.18 0.03 0.09 0.00 0.00 178.44 179.60 1jec h ARG 385 N 1.11 0.69 -0.45 1.13 3.08 -1.05 -1.37 114.38 117.52 1jec h ARG 385 Ca 0.27 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1jec h ARG 385 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1jec h ARG 385 CO -0.04 0.58 0.02 0.93 -1.07 0.00 0.00 179.97 180.39 1jec h GLU 386 N 0.68 0.79 0.00 0.04 5.08 -1.01 -2.06 114.58 118.09 1jec h GLU 386 Ca 0.16 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1jec h GLU 386 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1jec h GLU 386 CO -0.01 0.84 -0.46 0.77 -1.00 0.00 0.00 179.01 179.14 1jec h SER 387 N 0.64 0.00 -2.48 1.42 0.02 -1.34 -3.36 113.55 108.44 1jec h SER 387 Ca 0.13 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.49 1jec h SER 387 Cb 0.47 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.61 1jec h SER 387 CO 0.02 0.45 -0.83 -3.20 -1.14 0.00 0.00 176.83 172.13 1jec n ASN 388 N -3.21 1.20 -4.75 3.07 4.05 -0.53 -5.12 115.26 109.97 1jec n ASN 388 Ca 0.02 -2.81 -0.34 0.00 0.45 0.00 0.00 54.58 51.90 1jec n ASN 388 Cb 0.72 -0.64 0.05 0.00 1.23 0.00 0.00 39.78 41.14 1jec n ASN 388 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1jec s PRO 389 N -0.94 2.68 0.89 1.20 0.04 -0.78 -4.51 135.00 133.58 1jec s PRO 389 Ca 0.32 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1jec s PRO 389 Cb 0.05 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1jec s PRO 389 CO -0.15 -1.38 1.10 -1.25 0.04 0.00 0.00 177.00 175.36 1jec s PRO 390 N -3.87 1.28 0.32 0.56 0.04 -1.23 -4.71 135.00 127.40 1jec s PRO 390 Ca 0.71 0.69 0.10 0.00 0.04 0.00 0.00 61.00 62.54 1jec s PRO 390 Cb -0.24 -1.82 0.93 0.00 0.04 0.00 0.00 34.50 33.40 1jec s PRO 390 CO 0.40 -2.19 1.69 0.00 0.04 0.00 0.00 177.00 176.94 1jec h ARG 391 N -1.51 0.39 0.00 4.56 2.47 -1.51 0.15 114.38 118.94 1jec h ARG 391 Ca -0.50 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1jec h ARG 391 Cb 1.29 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1jec h ARG 391 CO 0.57 0.26 0.00 -1.35 0.56 0.00 0.00 179.97 180.01 1jec h PRO 392 N 0.40 0.00 -0.27 0.04 0.11 -1.67 -1.42 132.00 129.18 1jec h PRO 392 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1jec h PRO 392 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1jec h PRO 392 CO -0.56 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 178.86 1jec n LYS 393 N -2.75 2.56 -3.55 1.05 4.76 0.50 -4.91 118.16 115.81 1jec n LYS 393 Ca -0.02 -1.88 -0.33 0.00 -2.87 0.00 0.00 58.31 53.21 1jec n LYS 393 Cb 0.08 -1.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 1jec n LYS 393 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1jec s GLN 394 N -0.98 3.75 0.83 1.97 -0.21 -0.54 -4.62 119.66 119.87 1jec s GLN 394 Ca 0.20 0.16 -0.10 0.00 0.02 0.00 0.00 55.36 55.63 1jec s GLN 394 Cb 0.11 -2.90 0.13 0.00 1.00 0.00 0.00 33.01 31.35 1jec s GLN 394 CO 0.14 0.49 1.16 0.20 -2.12 0.00 0.00 175.29 175.16 1jec s GLY 395 N -2.01 1.71 0.10 3.09 0.00 -1.18 -4.77 107.32 104.26 1jec s GLY 395 Ca 0.38 -1.09 -0.27 0.00 0.00 0.00 0.00 44.72 43.74 1jec s GLY 395 CO 0.20 -0.50 1.08 -0.11 0.00 0.00 0.00 173.10 173.77 1jec s PHE 396 N -3.55 -0.08 0.01 1.90 -0.12 0.62 -4.88 117.98 111.88 1jec s PHE 396 Ca 0.67 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.39 1jec s PHE 396 Cb -0.07 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1jec s PHE 396 CO 0.49 -0.64 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.89 1jec s SER 397 N -3.01 0.09 -0.24 1.98 0.01 -0.34 -0.89 113.70 111.31 1jec s SER 397 Ca 0.14 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1jec s SER 397 Cb 0.01 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1jec s SER 397 CO 0.00 -0.07 -0.09 -0.63 0.41 0.00 0.00 173.24 172.86 1jec s ILE 398 N -0.36 2.66 -0.27 1.44 -1.09 0.15 -1.16 121.20 122.58 1jec s ILE 398 Ca -0.04 -1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 1jec s ILE 398 Cb -0.03 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 1jec s ILE 398 CO -0.00 0.24 0.22 -0.69 -1.23 0.00 0.00 174.94 173.48 1jec s VAL 399 N 1.30 5.29 -0.46 2.92 1.01 0.30 -0.70 120.40 130.06 1jec s VAL 399 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1jec s VAL 399 Cb -0.16 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1jec s VAL 399 CO -0.06 0.26 1.41 -0.76 0.00 0.00 0.00 175.10 175.94 1jec s LEU 400 N 1.64 3.53 0.94 3.92 1.43 0.83 -0.99 118.68 129.98 1jec s LEU 400 Ca 0.09 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1jec s LEU 400 Cb -0.15 -3.38 0.09 0.00 0.03 0.00 0.00 46.19 42.77 1jec s LEU 400 CO 0.09 -1.53 0.72 0.61 0.23 0.00 0.00 176.35 176.48 1jec n GLY 401 N 5.14 -1.33 0.28 -3.19 0.00 0.10 -3.61 105.19 102.58 1jec n GLY 401 Ca 0.15 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1jec n GLY 401 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jec h ASN 402 N -1.73 0.00 1.24 1.61 2.35 -1.93 -2.90 115.58 114.21 1jec h ASN 402 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1jec h ASN 402 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jec h ASN 402 CO 0.37 0.07 0.00 0.77 -1.65 0.00 0.00 177.43 176.99 1jec h SER 403 N 0.00 0.00 -2.60 5.81 4.64 -1.91 -3.46 113.55 116.03 1jec h SER 403 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1jec h SER 403 Cb 0.26 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1jec h SER 403 CO 0.01 0.00 1.06 -0.76 -0.87 0.00 0.00 176.83 176.27 1jec s LEU 404 N -5.25 4.39 0.00 5.97 1.43 -1.10 -4.69 118.68 119.43 1jec s LEU 404 Ca 0.06 2.76 0.11 0.00 -1.03 0.00 0.00 54.13 56.02 1jec s LEU 404 Cb 0.09 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1jec s LEU 404 CO 0.54 -0.97 0.62 0.35 0.23 0.00 0.00 176.35 177.11 1jec n THR 405 N 4.48 0.00 -1.42 5.49 -2.24 -0.44 -4.98 114.28 115.17 1jec n THR 405 Ca 0.17 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1jec n THR 405 Cb 0.38 1.10 0.14 0.00 -2.10 0.00 0.00 70.33 69.85 1jec n THR 405 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1jec s VAL 406 N -1.55 2.21 -0.20 2.28 -7.23 -1.24 -4.92 120.40 109.75 1jec s VAL 406 Ca 0.08 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 1jec s VAL 406 Cb 0.09 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1jec s VAL 406 CO 0.30 -0.09 1.59 -0.55 -0.31 0.00 0.00 175.10 176.04 1jec s SER 407 N -3.83 6.45 0.29 4.85 0.15 -1.26 -4.89 113.70 115.46 1jec s SER 407 Ca 0.64 1.68 -0.02 0.00 0.70 0.00 0.00 55.95 58.95 1jec s SER 407 Cb -0.16 -2.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.04 1jec s SER 407 CO 0.55 -1.19 1.89 0.03 1.20 0.00 0.00 173.24 175.72 1jec h ARG 408 N 10.41 0.95 -0.59 5.44 3.08 -1.92 -0.63 114.38 131.12 1jec h ARG 408 Ca -0.34 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 1jec h ARG 408 Cb 1.15 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1jec h ARG 408 CO 1.00 0.73 0.07 1.49 -1.07 0.00 0.00 179.97 182.19 1jec h GLU 409 N 0.94 0.97 0.06 0.04 4.81 -1.94 -2.03 114.58 117.43 1jec h GLU 409 Ca 0.23 -0.26 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 1jec h GLU 409 Cb 0.10 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 29.39 1jec h GLU 409 CO -0.03 0.91 -1.14 1.96 -0.73 0.00 0.00 179.01 179.99 1jec h GLN 410 N 0.91 0.67 -0.58 1.92 1.08 -1.87 -2.46 115.11 114.78 1jec h GLN 410 Ca 0.18 -0.80 -0.01 0.00 -1.45 0.00 0.00 58.65 56.57 1jec h GLN 410 Cb 0.44 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 1jec h GLN 410 CO 0.01 1.35 0.32 1.25 -0.95 0.00 0.00 178.83 180.82 1jec h LEU 411 N 0.34 0.73 -0.37 1.46 5.85 -1.10 0.15 115.31 122.36 1jec h LEU 411 Ca -0.16 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1jec h LEU 411 Cb 1.80 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1jec h LEU 411 CO 0.22 0.61 0.19 0.28 -0.34 0.00 0.00 178.44 179.41 1jec h SER 412 N 0.78 0.48 -0.83 1.25 0.02 -1.42 0.01 113.55 113.84 1jec h SER 412 Ca 0.20 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1jec h SER 412 Cb 0.05 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1jec h SER 412 CO -0.03 0.45 0.45 0.40 -1.14 0.00 0.00 176.83 176.96 1jec h ILE 413 N 0.47 1.25 -0.46 3.27 2.04 -1.21 -1.34 117.51 121.53 1jec h ILE 413 Ca 0.13 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1jec h ILE 413 Cb 0.09 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1jec h ILE 413 CO -0.02 0.28 0.20 0.00 0.00 0.00 0.00 178.15 178.61 1jec h ALA 414 N 1.24 0.59 -0.53 1.87 0.00 -0.16 -1.55 119.26 120.72 1jec h ALA 414 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jec h ALA 414 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jec h ALA 414 CO -0.05 0.18 0.28 -0.07 0.00 0.00 0.00 179.25 179.59 1jec h LEU 415 N 0.59 0.67 0.83 0.00 3.38 -0.77 -1.29 115.31 118.73 1jec h LEU 415 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jec h LEU 415 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jec h LEU 415 CO -0.02 0.58 -0.44 0.25 0.09 0.00 0.00 178.44 178.91 1jec h LEU 416 N 0.70 -1.07 -1.27 1.67 5.85 -1.04 0.33 115.31 120.49 1jec h LEU 416 Ca 0.18 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.12 1jec h LEU 416 Cb 0.07 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1jec h LEU 416 CO -0.03 -0.72 0.59 0.28 -0.34 0.00 0.00 178.44 178.23 1jec h SER 417 N -1.17 0.64 0.17 1.25 0.02 -1.27 0.74 113.55 113.93 1jec h SER 417 Ca -0.11 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1jec h SER 417 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1jec h SER 417 CO 0.16 0.29 -0.08 0.74 -1.14 0.00 0.00 176.83 176.79 1jec h THR 418 N 0.65 0.93 -0.70 -2.27 2.02 -0.91 -3.17 112.91 109.46 1jec h THR 418 Ca 0.49 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.82 1jec h THR 418 Cb 0.87 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 1jec h THR 418 CO -0.24 0.20 0.38 -0.26 0.37 0.00 0.00 175.52 175.97 1jec h PHE 419 N -0.71 0.70 0.00 3.16 0.04 -0.39 -0.65 116.94 119.09 1jec h PHE 419 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jec h PHE 419 Cb 0.50 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1jec h PHE 419 CO 0.06 0.32 0.05 -0.07 -0.60 0.00 0.00 178.31 178.07 1jec h LEU 420 N 0.69 0.00 -0.19 1.54 3.38 -0.88 -1.90 115.31 117.94 1jec h LEU 420 Ca 0.32 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 1jec h LEU 420 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jec h LEU 420 CO -0.21 0.00 -0.48 1.56 0.09 0.00 0.00 178.44 179.41 1jec h GLN 421 N 0.00 0.67 -7.14 1.13 4.20 -1.09 -3.45 115.11 109.43 1jec h GLN 421 Ca 0.00 -0.46 -0.53 0.00 0.06 0.00 0.00 58.65 57.72 1jec h GLN 421 Cb 0.10 0.07 0.13 0.00 0.30 0.00 0.00 27.48 28.08 1jec h GLN 421 CO 0.00 1.08 0.44 -0.06 -0.67 0.00 0.00 178.83 179.62 1jec s PHE 422 N -3.97 2.25 0.00 2.96 2.99 -0.72 -5.05 117.98 116.44 1jec s PHE 422 Ca -0.12 1.54 0.00 0.00 0.00 0.00 0.00 56.93 58.35 1jec s PHE 422 Cb 0.08 -3.48 0.00 0.00 0.00 0.00 0.00 43.02 39.61 1jec s PHE 422 CO 0.85 -2.41 0.00 0.41 -0.00 0.00 0.00 175.22 174.07 1jec n GLY 423 N 0.43 0.85 0.00 4.36 0.00 -1.26 -4.81 105.19 104.76 1jec n GLY 423 Ca 0.14 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1jec n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jec n GLY 424 N 5.00 1.73 2.74 -0.02 0.00 -1.26 -4.61 105.19 108.77 1jec n GLY 424 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jec n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jec n GLY 425 N -1.34 0.79 3.77 -0.02 0.00 -1.26 -5.01 105.19 102.11 1jec n GLY 425 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jec n GLY 425 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jec s ARG 426 N -0.08 4.37 -0.02 1.61 3.52 -1.26 -5.00 118.95 122.09 1jec s ARG 426 Ca 0.00 2.10 -0.15 0.00 -0.13 0.00 0.00 55.73 57.55 1jec s ARG 426 Cb 0.00 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 1jec s ARG 426 CO 0.00 -0.14 0.41 -0.47 -0.81 0.00 0.00 175.30 174.30 1jec s TYR 427 N -1.17 3.70 0.03 5.12 6.14 -1.26 -4.95 117.35 124.95 1jec s TYR 427 Ca 0.49 0.97 0.08 0.00 0.64 0.00 0.00 57.07 59.25 1jec s TYR 427 Cb -0.37 -2.32 -0.03 0.00 0.42 0.00 0.00 41.96 39.66 1jec s TYR 427 CO 0.49 0.58 -0.24 0.71 0.64 0.00 0.00 175.55 177.74 1jec s TYR 428 N -0.85 2.40 -0.14 4.97 1.51 -1.26 -0.53 117.35 123.46 1jec s TYR 428 Ca 0.24 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.83 1jec s TYR 428 Cb -0.16 -1.43 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1jec s TYR 428 CO 0.13 0.14 0.34 0.21 -1.11 0.00 0.00 175.55 175.26 1jec s LYS 429 N -1.19 0.36 -0.36 -0.62 2.20 0.12 -4.97 119.74 115.28 1jec s LYS 429 Ca 0.12 0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 56.08 1jec s LYS 429 Cb -0.10 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1jec s LYS 429 CO 0.02 -0.11 0.80 0.42 -0.36 0.00 0.00 175.35 176.13 1jec s ILE 430 N 0.77 4.72 -0.26 5.43 1.01 -1.26 0.03 121.20 131.66 1jec s ILE 430 Ca -0.05 0.96 -0.04 0.00 0.00 0.00 0.00 60.65 61.52 1jec s ILE 430 Cb -0.06 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1jec s ILE 430 CO -0.05 -0.42 0.00 0.12 0.00 0.00 0.00 174.94 174.59 1jec s PHE 431 N 3.13 3.06 -0.30 3.97 5.36 0.81 -4.90 117.98 129.11 1jec s PHE 431 Ca 0.32 -1.08 -0.10 0.00 -0.96 0.00 0.00 56.93 55.11 1jec s PHE 431 Cb -0.13 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 1jec s PHE 431 CO 0.16 -0.59 0.17 -1.21 -1.46 0.00 0.00 175.22 172.29 1jec s GLU 432 N 1.45 3.57 0.05 10.12 2.02 -1.26 -4.32 118.70 130.33 1jec s GLU 432 Ca 0.03 -0.57 0.21 0.00 0.02 0.00 0.00 54.97 54.67 1jec s GLU 432 Cb -0.16 -3.61 -0.19 0.00 0.10 0.00 0.00 34.13 30.27 1jec s GLU 432 CO -0.01 -0.33 0.69 -2.39 0.02 0.00 0.00 175.26 173.24 1jec n HIS 433 N 5.02 0.46 -2.97 1.61 1.44 -1.26 -4.97 115.22 114.56 1jec n HIS 433 Ca -0.14 0.14 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 1jec n HIS 433 Cb 0.50 -0.76 0.01 0.00 0.12 0.00 0.00 29.99 29.86 1jec n HIS 433 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1jec n ASN 434 N -2.51 -4.58 -0.67 4.39 5.03 -1.26 -0.72 115.26 114.94 1jec n ASN 434 Ca -0.05 -0.18 -0.08 0.00 0.87 0.00 0.00 54.58 55.14 1jec n ASN 434 Cb 0.63 -3.78 -0.03 0.00 -1.02 0.00 0.00 39.78 35.58 1jec n ASN 434 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1jec n ASN 435 N -2.21 -4.88 -4.70 6.41 5.15 -1.26 -4.94 115.26 108.84 1jec n ASN 435 Ca -0.09 0.19 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 1jec n ASN 435 Cb 0.59 -3.54 -0.04 0.00 -0.53 0.00 0.00 39.78 36.26 1jec n ASN 435 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jec s LYS 436 N -2.49 4.42 0.23 1.20 1.02 0.10 -4.96 119.74 119.27 1jec s LYS 436 Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 55.97 57.05 1jec s LYS 436 Cb 0.00 -3.50 0.28 0.00 -0.52 0.00 0.00 37.83 34.09 1jec s LYS 436 CO 0.00 -0.14 1.84 1.15 -0.92 0.00 0.00 175.35 177.29 1jec h THR 437 N 4.95 1.04 0.00 2.17 2.02 -1.92 -0.47 112.91 120.70 1jec h THR 437 Ca -0.36 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1jec h THR 437 Cb 1.18 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1jec h THR 437 CO 0.79 0.16 0.08 1.05 0.37 0.00 0.00 175.52 177.97 1jec h GLU 438 N 0.89 0.00 0.00 6.66 4.11 -1.94 -1.08 114.58 123.23 1jec h GLU 438 Ca 0.34 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.39 1jec h GLU 438 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 1jec h GLU 438 CO -0.16 0.00 -2.44 1.28 0.07 0.00 0.00 179.01 177.76 1jec n LEU 439 N -3.02 2.05 -0.19 3.06 4.77 -0.47 -4.43 117.00 118.78 1jec n LEU 439 Ca -0.03 -0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 1jec n LEU 439 Cb 0.14 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.94 1jec n LEU 439 CO 0.18 0.80 1.05 -0.07 -1.33 0.00 0.00 177.39 178.02 1jec h LEU 440 N 0.00 0.87 -0.49 2.23 3.38 -0.44 -1.55 115.31 119.31 1jec h LEU 440 Ca -0.56 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1jec h LEU 440 Cb 2.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1jec h LEU 440 CO -0.05 0.78 0.00 -1.54 0.09 0.00 0.00 178.44 177.72 1jec n SER 441 N -4.31 0.32 0.08 -0.43 3.41 -0.47 -1.79 113.62 110.42 1jec n SER 441 Ca 0.06 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1jec n SER 441 Cb 0.17 -0.66 0.23 0.00 -0.26 0.00 0.00 64.21 63.69 1jec n SER 441 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jec h LEU 442 N 0.00 0.00 -0.21 1.04 3.38 -1.49 -3.39 115.31 114.64 1jec h LEU 442 Ca 0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1jec h LEU 442 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1jec h LEU 442 CO 0.00 0.07 -0.10 0.40 0.09 0.00 0.00 178.44 178.91 1jec h ILE 443 N 0.00 0.69 0.00 1.22 2.04 -1.42 -1.89 117.51 118.15 1jec h ILE 443 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jec h ILE 443 Cb 0.75 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1jec h ILE 443 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.71 1jec h GLN 444 N -0.07 0.00 -0.20 2.37 1.08 -1.80 -2.03 115.11 114.46 1jec h GLN 444 Ca 0.11 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.22 1jec h GLN 444 Cb 0.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1jec h GLN 444 CO -0.25 0.00 -0.22 -0.44 -0.95 0.00 0.00 178.83 176.97 1jec h ASP 445 N 0.00 0.54 -0.50 1.46 3.45 -1.59 0.33 116.42 120.12 1jec h ASP 445 Ca 0.00 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 56.96 1jec h ASP 445 Cb 0.58 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 1jec h ASP 445 CO 0.00 0.92 0.25 -0.26 -1.57 0.00 0.00 179.24 178.58 1jec h PHE 446 N 0.18 0.70 -0.57 4.55 -1.00 -1.04 -0.20 116.94 119.55 1jec h PHE 446 Ca 0.03 -0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1jec h PHE 446 Cb 0.77 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 1jec h PHE 446 CO 0.08 0.54 -0.01 0.82 -1.61 0.00 0.00 178.31 178.13 1jec h ILE 447 N 0.66 1.26 0.00 -0.55 2.04 -1.31 -0.45 117.51 119.16 1jec h ILE 447 Ca 0.17 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1jec h ILE 447 Cb 0.09 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1jec h ILE 447 CO -0.02 0.41 -0.12 1.23 0.00 0.00 0.00 178.15 179.64 1jec h GLY 448 N 0.99 0.00 0.15 5.37 0.00 0.03 0.18 103.07 109.80 1jec h GLY 448 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1jec h GLY 448 CO 0.03 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.01 1jec n SER 449 N -3.67 0.79 0.00 0.19 7.64 -0.12 -4.90 113.62 113.56 1jec n SER 449 Ca -0.02 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1jec n SER 449 Cb 0.24 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1jec n SER 449 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jec n GLY 450 N 1.06 0.93 3.79 0.23 0.00 0.04 -4.93 105.19 106.32 1jec n GLY 450 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1jec n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jec s SER 451 N -3.01 5.16 -0.25 1.61 0.01 -0.27 -3.32 113.70 113.62 1jec s SER 451 Ca 0.00 1.82 -0.04 0.00 1.31 0.00 0.00 55.95 59.04 1jec s SER 451 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1jec s SER 451 CO 0.00 -1.59 -0.01 -0.83 0.41 0.00 0.00 173.24 171.21 1jec s GLY 452 N -3.13 1.66 -0.07 3.44 0.00 0.31 -0.28 107.32 109.25 1jec s GLY 452 Ca 0.62 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1jec s GLY 452 CO 0.48 0.51 -0.08 1.08 0.00 0.00 0.00 173.10 175.08 1jec s LEU 453 N 1.45 3.10 -0.28 0.66 1.43 -0.07 -0.70 118.68 124.27 1jec s LEU 453 Ca 0.04 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1jec s LEU 453 Cb -0.16 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1jec s LEU 453 CO -0.02 0.35 -0.02 -0.63 0.23 0.00 0.00 176.35 176.26 1jec s ILE 454 N -0.75 2.95 -0.39 -0.59 1.01 0.11 -0.67 121.20 122.86 1jec s ILE 454 Ca 0.11 -1.24 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 1jec s ILE 454 Cb -0.11 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.80 1jec s ILE 454 CO 0.01 0.01 0.21 -0.63 0.00 0.00 0.00 174.94 174.54 1jec s ILE 455 N 1.28 4.12 0.45 2.92 1.01 0.12 -0.13 121.20 130.97 1jec s ILE 455 Ca -0.03 -1.29 0.24 0.00 0.00 0.00 0.00 60.65 59.57 1jec s ILE 455 Cb -0.19 -3.45 0.43 0.00 0.01 0.00 0.00 42.46 39.26 1jec s ILE 455 CO -0.02 -0.39 1.82 1.55 0.00 0.00 0.00 174.94 177.90 1jec h PRO 456 N 8.35 0.25 -3.52 2.79 0.13 -1.84 0.24 132.00 138.40 1jec h PRO 456 Ca -0.23 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1jec h PRO 456 Cb 1.08 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.01 1jec h PRO 456 CO 0.70 0.17 -0.24 0.54 -0.23 0.00 0.00 178.00 178.94 1jec s ASN 457 N -5.42 -0.07 0.60 1.44 4.22 -1.26 -4.41 114.94 110.04 1jec s ASN 457 Ca -0.07 -0.40 -0.16 0.00 -2.14 0.00 0.00 52.86 50.09 1jec s ASN 457 Cb 0.23 0.39 -0.03 0.00 1.28 0.00 0.00 41.25 43.12 1jec s ASN 457 CO 0.79 -0.74 1.06 -1.10 -2.04 0.00 0.00 177.10 175.08 1jec s GLN 458 N -3.45 3.27 0.41 3.55 -0.21 -1.24 -4.80 119.66 117.19 1jec s GLN 458 Ca 0.01 1.23 -0.00 0.00 0.02 0.00 0.00 55.36 56.62 1jec s GLN 458 Cb 0.02 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 1jec s GLN 458 CO -0.09 -0.85 0.63 1.67 -2.12 0.00 0.00 175.29 174.53 1jec s TRP 459 N -2.44 3.38 0.54 0.91 -2.14 -1.26 -4.93 118.94 113.01 1jec s TRP 459 Ca 0.64 0.35 -0.21 0.00 2.66 0.00 0.00 56.10 59.54 1jec s TRP 459 Cb -0.16 -2.13 -0.05 0.00 -3.10 0.00 0.00 33.47 28.03 1jec s TRP 459 CO 0.37 -0.14 1.22 -1.21 -2.66 0.00 0.00 176.95 174.53 1jec s GLU 460 N -4.47 3.26 0.48 3.25 0.41 -1.26 -4.93 118.70 115.45 1jec s GLU 460 Ca 0.44 1.88 0.17 0.00 -0.41 0.00 0.00 54.97 57.05 1jec s GLU 460 Cb -0.10 -2.14 1.18 0.00 -1.78 0.00 0.00 34.13 31.30 1jec s GLU 460 CO 0.38 -0.98 2.03 -0.44 -0.49 0.00 0.00 175.26 175.75 1jec h ASP 461 N 1.36 0.18 0.00 -0.19 3.45 -2.02 -0.56 116.42 118.64 1jec h ASP 461 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 1jec h ASP 461 Cb 1.28 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1jec h ASP 461 CO 0.57 0.11 0.00 -0.90 -1.57 0.00 0.00 179.24 177.45 1jec n ASP 462 N -4.46 0.65 0.00 6.45 5.75 -1.26 -2.12 116.55 121.56 1jec n ASP 462 Ca 0.07 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1jec n ASP 462 Cb 0.37 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1jec n ASP 462 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jec n LYS 463 N 0.04 2.45 -0.26 0.11 4.76 -0.22 -4.84 118.16 120.21 1jec n LYS 463 Ca 0.00 -0.05 0.02 0.00 -2.87 0.00 0.00 58.31 55.40 1jec n LYS 463 Cb 0.16 -0.34 0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1jec n LYS 463 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1jec h ASP 464 N 0.00 -0.69 -0.99 4.39 3.45 -1.48 0.39 116.42 121.50 1jec h ASP 464 Ca 0.00 0.22 0.24 0.00 0.43 0.00 0.00 57.03 57.93 1jec h ASP 464 Cb 0.06 0.46 -0.08 0.00 -0.56 0.00 0.00 39.33 39.22 1jec h ASP 464 CO 0.00 -0.25 0.65 0.77 -1.57 0.00 0.00 179.24 178.84 1jec h SER 465 N 0.00 0.39 0.22 6.45 4.64 -1.88 -1.15 113.55 122.23 1jec h SER 465 Ca 0.36 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.69 1jec h SER 465 Cb 0.55 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1jec h SER 465 CO -0.77 0.12 -0.22 0.58 -0.87 0.00 0.00 176.83 175.66 1jec h VAL 466 N 0.37 1.16 -3.51 0.95 2.07 -1.27 -3.42 116.25 112.59 1jec h VAL 466 Ca 0.53 -0.77 -0.63 0.00 0.82 0.00 0.00 66.70 66.66 1jec h VAL 466 Cb 1.41 1.41 -0.18 0.00 -1.52 0.00 0.00 31.29 32.41 1jec h VAL 466 CO -0.22 0.22 -0.57 -0.69 0.02 0.00 0.00 177.57 176.33 1jec s VAL 467 N -4.54 4.79 0.60 2.57 1.01 -0.44 -4.52 120.40 119.88 1jec s VAL 467 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1jec s VAL 467 Cb 0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1jec s VAL 467 CO 0.70 0.38 1.18 -0.83 0.00 0.00 0.00 175.10 176.54 1jec s GLY 468 N 1.00 2.61 0.00 4.51 0.00 -1.26 -4.94 107.32 109.24 1jec s GLY 468 Ca 0.05 0.90 0.25 0.00 0.00 0.00 0.00 44.72 45.93 1jec s GLY 468 CO 0.03 1.29 1.46 0.58 0.00 0.00 0.00 173.10 176.46 1jec n LYS 469 N -1.74 2.08 -1.96 2.90 2.85 -1.26 -4.85 118.16 116.17 1jec n LYS 469 Ca 0.13 -1.57 -0.42 0.00 -1.05 0.00 0.00 58.31 55.39 1jec n LYS 469 Cb 0.50 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.39 1jec n LYS 469 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1jec s GLN 470 N -1.95 4.21 -1.67 -1.58 2.00 -1.26 -2.57 119.66 116.84 1jec s GLN 470 Ca 0.33 2.29 -0.01 0.00 -2.00 0.00 0.00 55.36 55.97 1jec s GLN 470 Cb 0.20 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1jec s GLN 470 CO 0.31 -0.72 0.14 0.09 -0.50 0.00 0.00 175.29 174.61 1jec n ASN 471 N 5.59 -5.76 -4.36 6.67 5.03 -1.26 -4.89 115.26 116.28 1jec n ASN 471 Ca 0.16 -0.06 -0.35 0.00 0.87 0.00 0.00 54.58 55.20 1jec n ASN 471 Cb 0.41 -4.77 -0.14 0.00 -1.02 0.00 0.00 39.78 34.27 1jec n ASN 471 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jec s VAL 472 N -3.03 3.54 -0.08 2.41 1.01 -1.06 -1.19 120.40 121.99 1jec s VAL 472 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1jec s VAL 472 Cb -0.03 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1jec s VAL 472 CO 0.09 0.43 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 1jec s TYR 473 N 1.26 2.25 -0.17 5.22 1.51 -0.31 -4.97 117.35 122.15 1jec s TYR 473 Ca 0.03 -0.83 -0.19 0.00 -1.01 0.00 0.00 57.07 55.07 1jec s TYR 473 Cb -0.14 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1jec s TYR 473 CO -0.01 -0.32 0.54 -1.17 -1.11 0.00 0.00 175.55 173.48 1jec s LEU 474 N 0.24 4.20 -0.40 -1.29 0.20 -1.26 -0.54 118.68 119.82 1jec s LEU 474 Ca -0.13 0.79 -0.14 0.00 0.69 0.00 0.00 54.13 55.34 1jec s LEU 474 Cb -0.16 -2.77 0.03 0.00 -0.43 0.00 0.00 46.19 42.86 1jec s LEU 474 CO 0.06 -0.14 0.27 -0.22 -0.29 0.00 0.00 176.35 176.03 1jec s LEU 475 N 1.34 5.00 0.21 -0.68 2.96 -0.16 -1.30 118.68 126.06 1jec s LEU 475 Ca 0.27 -0.95 -0.22 0.00 -0.22 0.00 0.00 54.13 53.00 1jec s LEU 475 Cb -0.16 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.47 1jec s LEU 475 CO 0.11 -0.44 0.65 -0.62 -1.32 0.00 0.00 176.35 174.73 1jec s ASP 476 N 1.67 -0.43 0.23 3.68 2.15 -1.03 0.01 116.67 122.94 1jec s ASP 476 Ca 0.04 -0.27 0.11 0.00 0.43 0.00 0.00 52.55 52.86 1jec s ASP 476 Cb -0.19 0.66 0.11 0.00 -0.30 0.00 0.00 42.92 43.20 1jec s ASP 476 CO 0.09 -1.14 1.46 0.71 -0.17 0.00 0.00 175.17 176.12 1jec h THR 477 N 2.00 1.37 -3.65 1.71 1.35 -1.88 0.17 112.91 113.98 1jec h THR 477 Ca -0.27 -2.59 -0.52 0.00 -0.55 0.00 0.00 66.41 62.47 1jec h THR 477 Cb 1.28 2.46 0.21 0.00 -1.73 0.00 0.00 68.15 70.37 1jec h THR 477 CO 0.31 0.71 -0.29 -1.54 -0.25 0.00 0.00 175.52 174.46 1jec n SER 478 N -3.47 -1.20 0.12 5.36 3.41 -1.26 -4.66 113.62 111.92 1jec n SER 478 Ca 0.00 0.31 -0.02 0.00 -0.26 0.00 0.00 58.87 58.90 1jec n SER 478 Cb 0.76 -1.29 0.19 0.00 -0.26 0.00 0.00 64.21 63.60 1jec n SER 478 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jec h SER 479 N -1.78 0.13 -0.08 4.04 4.64 -2.00 -2.91 113.55 115.60 1jec h SER 479 Ca -0.45 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1jec h SER 479 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1jec h SER 479 CO 0.38 0.65 0.00 -1.54 -0.87 0.00 0.00 176.83 175.44 1jec n SER 480 N -3.91 0.86 -4.82 4.97 3.41 -1.26 -4.86 113.62 108.01 1jec n SER 480 Ca -0.02 -2.04 -0.35 0.00 -0.26 0.00 0.00 58.87 56.20 1jec n SER 480 Cb 0.56 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1jec n SER 480 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jec s ALA 481 N -1.63 3.35 0.11 7.33 0.00 -1.10 -4.94 121.76 124.88 1jec s ALA 481 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1jec s ALA 481 Cb 0.04 -2.86 -0.17 0.00 0.00 0.00 0.00 23.12 20.12 1jec s ALA 481 CO 0.03 0.30 1.23 -0.44 0.00 0.00 0.00 175.76 176.88 1jec h ASP 482 N 3.06 0.49 -3.98 0.00 3.32 -1.53 -3.38 116.42 114.41 1jec h ASP 482 Ca -0.48 -0.45 -0.65 0.00 0.02 0.00 0.00 57.03 55.48 1jec h ASP 482 Cb 1.19 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 1jec h ASP 482 CO 0.65 1.29 -0.68 -0.63 -1.72 0.00 0.00 179.24 178.14 1jec s ILE 483 N -3.00 2.36 -0.09 0.35 1.01 -0.54 -4.99 121.20 116.31 1jec s ILE 483 Ca -0.05 -2.77 -0.30 0.00 0.00 0.00 0.00 60.65 57.54 1jec s ILE 483 Cb 0.08 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1jec s ILE 483 CO 0.88 -0.70 1.16 -1.58 0.00 0.00 0.00 174.94 174.69 1jec s GLN 484 N 0.37 4.35 0.34 2.79 0.74 -1.26 -2.47 119.66 124.51 1jec s GLN 484 Ca 0.14 1.59 -0.26 0.00 0.05 0.00 0.00 55.36 56.88 1jec s GLN 484 Cb -0.22 -3.58 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 1jec s GLN 484 CO -0.05 -0.46 0.97 -0.51 -0.55 0.00 0.00 175.29 174.69 1jec s LEU 485 N 2.39 4.31 0.26 3.68 1.43 0.05 -4.94 118.68 125.86 1jec s LEU 485 Ca 0.53 1.90 -0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1jec s LEU 485 Cb -0.22 -4.03 0.34 0.00 0.03 0.00 0.00 46.19 42.31 1jec s LEU 485 CO 0.19 -0.15 1.70 -0.08 0.23 0.00 0.00 176.35 178.24 1jec h GLU 486 N 3.07 0.61 -2.91 1.70 4.81 -1.94 -3.41 114.58 116.52 1jec h GLU 486 Ca -0.47 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 58.56 1jec h GLU 486 Cb 1.20 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.43 1jec h GLU 486 CO 0.65 0.77 0.25 -1.54 -0.73 0.00 0.00 179.01 178.41 1jec s SER 487 N -6.77 -0.45 0.53 1.04 1.04 -1.26 -5.03 113.70 102.80 1jec s SER 487 Ca -0.08 -0.19 0.26 0.00 0.48 0.00 0.00 55.95 56.42 1jec s SER 487 Cb 0.14 0.61 1.47 0.00 0.10 0.00 0.00 66.02 68.34 1jec s SER 487 CO 0.81 -1.04 2.10 0.00 0.98 0.00 0.00 173.24 176.09 1jec h ALA 488 N 2.00 1.41 -0.36 5.32 0.00 -1.89 -2.62 119.26 123.13 1jec h ALA 488 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jec h ALA 488 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jec h ALA 488 CO 0.33 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1jec n ASP 489 N -3.81 3.99 -4.53 0.00 3.85 -1.26 -1.33 116.55 113.47 1jec n ASP 489 Ca -0.02 -2.72 -0.46 0.00 -0.71 0.00 0.00 54.79 50.89 1jec n ASP 489 Cb 0.20 -0.50 -0.02 0.00 -1.35 0.00 0.00 41.12 39.45 1jec n ASP 489 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1jec n GLU 490 N 0.04 0.93 -1.72 0.11 2.13 -0.99 -4.83 120.64 116.31 1jec n GLU 490 Ca 0.20 0.33 -0.42 0.00 0.66 0.00 0.00 57.16 57.93 1jec n GLU 490 Cb 0.83 -1.58 -0.01 0.00 0.27 0.00 0.00 31.44 30.94 1jec n GLU 490 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1jec n PRO 491 N 0.80 2.41 -0.35 5.31 -0.02 -1.26 -4.79 135.00 137.11 1jec n PRO 491 Ca 0.12 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.62 1jec n PRO 491 Cb 0.30 -2.55 0.37 0.00 -0.02 0.00 0.00 33.50 31.60 1jec n PRO 491 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jec h ILE 492 N 3.01 0.58 -0.32 4.25 2.04 -2.00 0.07 117.51 125.14 1jec h ILE 492 Ca -0.47 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 1jec h ILE 492 Cb 1.25 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jec h ILE 492 CO 0.71 0.11 -0.17 0.77 0.00 0.00 0.00 178.15 179.57 1jec h SER 493 N 0.63 0.58 -0.32 1.72 4.64 -2.00 -0.55 113.55 118.25 1jec h SER 493 Ca 0.63 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.68 1jec h SER 493 Cb 1.15 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1jec h SER 493 CO -0.45 0.77 -0.14 0.45 -0.87 0.00 0.00 176.83 176.59 1jec h HIS 494 N 0.53 0.76 -0.43 4.77 3.86 -1.38 -2.30 115.15 120.96 1jec h HIS 494 Ca 0.09 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1jec h HIS 494 Cb 0.60 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 1jec h HIS 494 CO 0.02 0.87 0.25 0.82 0.86 0.00 0.00 177.93 180.75 1jec h ILE 495 N 0.42 1.04 -0.75 2.45 2.04 -0.94 -1.13 117.51 120.65 1jec h ILE 495 Ca 0.07 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1jec h ILE 495 Cb 0.66 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1jec h ILE 495 CO 0.04 0.09 0.42 0.58 0.00 0.00 0.00 178.15 179.28 1jec h VAL 496 N 0.51 0.94 -0.24 1.67 2.07 -1.01 -0.87 116.25 119.31 1jec h VAL 496 Ca 0.17 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1jec h VAL 496 Cb 0.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1jec h VAL 496 CO -0.08 0.13 0.09 -0.61 0.02 0.00 0.00 177.57 177.12 1jec h GLN 497 N 0.74 0.36 -0.83 1.57 4.15 -0.81 -0.54 115.11 119.75 1jec h GLN 497 Ca 0.35 -0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.82 1jec h GLN 497 Cb 0.27 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.82 1jec h GLN 497 CO -0.22 0.42 0.44 0.87 -1.93 0.00 0.00 178.83 178.41 1jec h LYS 498 N 0.23 0.65 -0.12 1.69 1.57 -0.28 0.10 116.57 120.41 1jec h LYS 498 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1jec h LYS 498 Cb 0.20 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1jec h LYS 498 CO -0.00 0.43 -0.05 0.28 -0.57 0.00 0.00 179.45 179.53 1jec h VAL 499 N 0.67 1.31 -0.21 0.50 2.07 -0.78 -1.71 116.25 118.09 1jec h VAL 499 Ca 0.43 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1jec h VAL 499 Cb 0.55 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1jec h VAL 499 CO -0.32 0.30 0.09 0.58 0.02 0.00 0.00 177.57 178.24 1jec h VAL 500 N -0.11 0.97 0.00 2.57 2.07 -0.59 0.30 116.25 121.47 1jec h VAL 500 Ca 0.03 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1jec h VAL 500 Cb 0.50 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1jec h VAL 500 CO 0.02 0.04 -0.34 -0.07 0.02 0.00 0.00 177.57 177.24 1jec h LEU 501 N 0.20 0.00 -0.09 2.57 3.38 -1.02 -0.72 115.31 119.63 1jec h LEU 501 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jec h LEU 501 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jec h LEU 501 CO -0.08 0.34 -0.05 0.15 0.09 0.00 0.00 178.44 178.89 1jec h PHE 502 N 0.00 0.22 0.00 1.13 3.57 -0.65 -0.47 116.94 120.74 1jec h PHE 502 Ca -0.00 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1jec h PHE 502 Cb 0.66 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1jec h PHE 502 CO 0.00 0.56 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.38 1jec h LEU 503 N -0.18 0.00 -0.06 0.59 3.38 -0.63 -1.49 115.31 116.91 1jec h LEU 503 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1jec h LEU 503 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jec h LEU 503 CO 0.01 0.18 -0.20 -0.08 0.09 0.00 0.00 178.44 178.45 1jec h GLU 504 N 0.00 0.24 -0.62 1.13 4.81 -0.99 -0.18 114.58 118.97 1jec h GLU 504 Ca -0.00 -0.18 0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1jec h GLU 504 Cb 0.33 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1jec h GLU 504 CO 0.02 0.80 0.41 0.22 -0.73 0.00 0.00 179.01 179.74 1jec h ASP 505 N -0.28 0.42 -0.33 1.04 -0.00 -0.72 0.26 116.42 116.80 1jec h ASP 505 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1jec h ASP 505 Cb 0.82 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 1jec h ASP 505 CO 0.04 0.25 0.00 0.59 -0.00 0.00 0.00 179.24 180.12 1jec n ASN 506 N -4.47 2.15 0.00 2.28 4.13 -0.59 -4.95 115.26 113.81 1jec n ASN 506 Ca 0.10 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.46 1jec n ASN 506 Cb 0.35 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1jec n ASN 506 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jec n GLY 507 N 1.18 1.10 0.21 7.41 0.00 0.08 -4.92 105.19 110.25 1jec n GLY 507 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1jec n GLY 507 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jec h PHE 508 N 0.00 0.28 -4.42 1.61 -1.00 -1.22 -2.71 116.94 109.47 1jec h PHE 508 Ca 0.00 -0.06 -0.70 0.00 2.81 0.00 0.00 57.97 60.02 1jec h PHE 508 Cb 0.00 -0.07 -0.29 0.00 3.61 0.00 0.00 35.95 39.21 1jec h PHE 508 CO 0.00 0.56 -0.86 -0.06 -1.61 0.00 0.00 178.31 176.33 1jec s PHE 509 N -4.29 2.42 -0.07 -0.55 0.08 -1.21 -4.32 117.98 110.04 1jec s PHE 509 Ca -0.05 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1jec s PHE 509 Cb 0.14 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1jec s PHE 509 CO 0.76 -0.01 -0.06 0.08 -0.10 0.00 0.00 175.22 175.89 1jec s VAL 510 N -0.58 0.75 -0.77 -0.44 1.01 -1.26 -4.59 120.40 114.52 1jec s VAL 510 Ca 0.09 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1jec s VAL 510 Cb -0.11 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.55 1jec s VAL 510 CO -0.00 0.29 0.70 0.49 0.00 0.00 0.00 175.10 176.58