#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4e h MET 1 N 0.00 0.00 -0.49 1.43 -1.53 -2.02 -3.24 114.93 109.09 2j4e h MET 1 Ca 0.00 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.34 2j4e h MET 1 Cb 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 2j4e h MET 1 CO 0.00 0.77 0.33 0.00 0.14 0.00 0.00 176.91 178.15 2j4e h ALA 2 N 1.23 2.05 -0.21 0.39 0.00 -2.01 -2.33 119.26 118.38 2j4e h ALA 2 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2j4e h ALA 2 Cb 1.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2j4e h ALA 2 CO 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.15 2j4e h ALA 3 N 1.75 0.28 -0.83 0.00 0.00 -1.94 -3.19 119.26 115.33 2j4e h ALA 3 Ca 0.22 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2j4e h ALA 3 Cb 0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2j4e h ALA 3 CO -0.05 0.06 0.54 0.77 0.00 0.00 0.00 179.25 180.56 2j4e h SER 4 N 0.12 0.68 1.11 0.00 0.02 -1.59 -3.00 113.55 110.90 2j4e h SER 4 Ca 0.05 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2j4e h SER 4 Cb 0.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2j4e h SER 4 CO 0.02 0.40 -0.92 -0.07 -1.14 0.00 0.00 176.83 175.12 2j4e h LEU 5 N 0.75 0.00 -9.33 5.07 3.38 -1.60 -3.46 115.31 110.13 2j4e h LEU 5 Ca 0.39 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.72 2j4e h LEU 5 Cb 0.49 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.27 2j4e h LEU 5 CO -0.16 0.20 0.84 0.55 0.09 0.00 0.00 178.44 179.96 2j4e n VAL 6 N -2.85 0.23 -0.39 1.22 3.14 -1.14 -0.86 118.33 117.68 2j4e n VAL 6 Ca -0.02 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2j4e n VAL 6 Cb 0.64 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 2j4e n VAL 6 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2j4e n GLY 7 N 3.68 1.88 4.01 7.55 0.00 0.75 -5.02 105.19 118.03 2j4e n GLY 7 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2j4e n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4e s LYS 8 N -0.12 1.83 -0.24 1.61 -0.14 -0.04 -4.84 119.74 117.79 2j4e s LYS 8 Ca 0.00 -1.33 -0.15 0.00 -1.36 0.00 0.00 55.97 53.13 2j4e s LYS 8 Cb 0.00 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 2j4e s LYS 8 CO 0.00 -1.30 0.35 0.21 -0.76 0.00 0.00 175.35 173.85 2j4e s LYS 9 N -5.00 4.07 -0.24 1.68 2.20 -1.26 -1.99 119.74 119.20 2j4e s LYS 9 Ca 0.65 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.25 2j4e s LYS 9 Cb -0.05 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2j4e s LYS 9 CO 0.43 -0.16 0.01 0.42 -0.36 0.00 0.00 175.35 175.69 2j4e s ILE 10 N 1.70 3.78 -0.40 5.43 1.01 -0.48 -4.64 121.20 127.60 2j4e s ILE 10 Ca 0.15 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 2j4e s ILE 10 Cb -0.15 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2j4e s ILE 10 CO 0.09 0.36 1.06 -0.69 0.00 0.00 0.00 174.94 175.76 2j4e s VAL 11 N 1.53 4.40 -0.37 2.92 1.01 -1.01 -1.58 120.40 127.30 2j4e s VAL 11 Ca 0.06 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 2j4e s VAL 11 Cb -0.15 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.76 2j4e s VAL 11 CO -0.00 -0.73 0.73 0.12 0.00 0.00 0.00 175.10 175.22 2j4e s PHE 12 N 3.94 3.12 -0.34 5.22 5.36 0.85 -1.74 117.98 134.39 2j4e s PHE 12 Ca 0.44 0.45 -0.12 0.00 -0.96 0.00 0.00 56.93 56.74 2j4e s PHE 12 Cb -0.10 -3.33 -0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2j4e s PHE 12 CO 0.23 -0.72 0.21 0.54 -1.46 0.00 0.00 175.22 174.03 2j4e s VAL 13 N 2.98 4.95 -0.27 3.12 0.11 -0.57 -1.37 120.40 129.35 2j4e s VAL 13 Ca 0.29 -0.44 -0.26 0.00 -2.93 0.00 0.00 61.98 58.64 2j4e s VAL 13 Cb -0.14 -3.60 0.13 0.00 -1.53 0.00 0.00 36.38 31.25 2j4e s VAL 13 CO 0.17 -0.06 1.08 0.28 -3.33 0.00 0.00 175.10 173.23 2j4e s THR 14 N 1.66 0.00 -0.83 5.04 -1.32 -1.04 -4.64 115.64 114.51 2j4e s THR 14 Ca 0.05 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 2j4e s THR 14 Cb -0.18 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.72 2j4e s THR 14 CO 0.08 0.00 1.15 0.61 -2.21 0.00 0.00 174.62 174.25 2j4e n GLY 15 N 1.93 -1.19 3.51 6.08 0.00 -1.26 -4.14 105.19 110.12 2j4e n GLY 15 Ca -0.12 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2j4e n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j4e s ASN 16 N -3.41 6.33 0.24 1.61 3.84 -1.26 -4.92 114.94 117.36 2j4e s ASN 16 Ca 0.07 -0.42 -0.07 0.00 0.21 0.00 0.00 52.86 52.65 2j4e s ASN 16 Cb 0.16 -2.39 0.22 0.00 -0.55 0.00 0.00 41.25 38.69 2j4e s ASN 16 CO 0.78 -1.07 1.89 0.00 -2.79 0.00 0.00 177.10 175.90 2j4e h ALA 17 N 9.16 1.18 -0.48 1.71 0.00 -2.00 -1.51 119.26 127.33 2j4e h ALA 17 Ca -0.26 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2j4e h ALA 17 Cb 1.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2j4e h ALA 17 CO 1.03 0.64 0.31 0.87 0.00 0.00 0.00 179.25 182.09 2j4e h LYS 18 N 1.28 0.60 -0.16 0.00 6.56 -1.99 -2.38 116.57 120.49 2j4e h LYS 18 Ca 0.33 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.81 2j4e h LYS 18 Cb -0.06 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.46 2j4e h LYS 18 CO -0.06 0.40 -0.20 -0.22 -2.06 0.00 0.00 179.45 177.31 2j4e h LYS 19 N 0.62 0.41 -0.43 3.15 3.64 -1.93 -2.48 116.57 119.56 2j4e h LYS 19 Ca 0.18 -0.23 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2j4e h LYS 19 Cb -0.05 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.71 2j4e h LYS 19 CO -0.05 0.81 -0.09 1.25 -2.27 0.00 0.00 179.45 179.09 2j4e h LEU 20 N 0.04 -0.37 -0.83 5.20 5.85 -1.26 -1.56 115.31 122.38 2j4e h LEU 20 Ca 0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2j4e h LEU 20 Cb 0.75 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2j4e h LEU 20 CO 0.05 -0.13 0.24 -0.08 -0.34 0.00 0.00 178.44 178.18 2j4e h GLU 21 N 0.01 1.11 -0.74 1.25 4.81 -1.32 -0.67 114.58 119.02 2j4e h GLU 21 Ca 0.21 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2j4e h GLU 21 Cb 0.31 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2j4e h GLU 21 CO -0.43 0.93 0.48 0.93 -0.73 0.00 0.00 179.01 180.20 2j4e h GLU 22 N 1.07 0.94 -0.58 1.92 5.08 -1.05 0.10 114.58 122.06 2j4e h GLU 22 Ca 0.24 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2j4e h GLU 22 Cb 0.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2j4e h GLU 22 CO -0.01 0.62 0.03 0.28 -1.00 0.00 0.00 179.01 178.94 2j4e h VAL 23 N 0.97 1.26 -0.20 3.13 2.07 -0.40 -0.67 116.25 122.39 2j4e h VAL 23 Ca 0.28 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 2j4e h VAL 23 Cb -0.06 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2j4e h VAL 23 CO -0.08 0.39 -0.46 0.58 0.02 0.00 0.00 177.57 178.01 2j4e h VAL 24 N 0.91 1.31 -0.31 2.57 2.07 -0.69 -1.60 116.25 120.52 2j4e h VAL 24 Ca 0.17 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 2j4e h VAL 24 Cb 0.48 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2j4e h VAL 24 CO 0.02 0.52 -0.03 1.56 0.02 0.00 0.00 177.57 179.65 2j4e h GLN 25 N 0.42 0.56 -0.21 1.57 4.20 -0.57 -3.33 115.11 117.75 2j4e h GLN 25 Ca 0.03 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 2j4e h GLN 25 Cb 0.97 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2j4e h GLN 25 CO 0.09 0.73 -0.21 0.82 -0.67 0.00 0.00 178.83 179.59 2j4e h ILE 26 N 0.34 1.33 -2.87 2.54 2.04 -1.02 -3.40 117.51 116.47 2j4e h ILE 26 Ca 0.08 -1.37 -0.55 0.00 1.00 0.00 0.00 64.86 64.02 2j4e h ILE 26 Cb 0.49 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2j4e h ILE 26 CO 0.02 0.42 0.89 -0.76 0.00 0.00 0.00 178.15 178.72 2j4e s LEU 27 N -9.05 4.27 0.00 1.44 1.43 -0.61 -5.01 118.68 111.16 2j4e s LEU 27 Ca -0.13 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2j4e s LEU 27 Cb 0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2j4e s LEU 27 CO 0.79 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2j4e n GLY 28 N 3.70 0.94 0.11 -3.19 0.00 -1.26 -4.81 105.19 100.67 2j4e n GLY 28 Ca 0.14 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.88 2j4e n GLY 28 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2j4e h ASP 29 N 0.00 0.00 -0.56 1.61 3.32 -1.95 -3.37 116.42 115.46 2j4e h ASP 29 Ca 0.00 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.06 2j4e h ASP 29 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2j4e h ASP 29 CO 0.00 0.05 0.07 0.50 -1.72 0.00 0.00 179.24 178.14 2j4e h LYS 30 N 0.00 0.19 -6.09 3.56 3.64 -1.99 -3.44 116.57 112.43 2j4e h LYS 30 Ca 0.00 -0.01 -0.70 0.00 -1.27 0.00 0.00 60.65 58.67 2j4e h LYS 30 Cb 0.85 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2j4e h LYS 30 CO 0.00 0.12 1.14 0.34 -2.27 0.00 0.00 179.45 178.78 2j4e n PHE 31 N -5.18 1.87 0.99 1.91 7.35 -1.26 -4.83 117.46 118.30 2j4e n PHE 31 Ca 0.08 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2j4e n PHE 31 Cb 0.31 -2.50 0.02 0.00 0.35 0.00 0.00 39.48 37.65 2j4e n PHE 31 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2j4e n PRO 32 N 6.70 1.16 -4.47 -7.13 -0.04 -1.26 -4.81 135.00 125.15 2j4e n PRO 32 Ca 0.33 -0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2j4e n PRO 32 Cb 0.17 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 2j4e n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4e s THR 34 N -3.25 2.54 0.04 0.00 2.01 -0.84 -4.97 115.64 111.17 2j4e s THR 34 Ca 0.34 -1.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.07 2j4e s THR 34 Cb 0.08 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2j4e s THR 34 CO 0.15 -0.40 1.02 -0.76 -0.69 0.00 0.00 174.62 173.95 2j4e s LEU 35 N 1.05 4.40 -0.13 4.42 1.43 -1.26 -1.38 118.68 127.21 2j4e s LEU 35 Ca 0.03 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2j4e s LEU 35 Cb -0.20 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.46 2j4e s LEU 35 CO -0.06 -0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.40 2j4e s VAL 36 N 0.74 1.71 0.05 -1.59 1.01 -0.61 -4.95 120.40 116.76 2j4e s VAL 36 Ca 0.52 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2j4e s VAL 36 Cb -0.23 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2j4e s VAL 36 CO 0.29 0.48 1.13 0.00 0.00 0.00 0.00 175.10 177.00 2j4e s ALA 37 N 1.04 3.32 -0.08 5.51 0.00 -1.26 -0.10 121.76 130.19 2j4e s ALA 37 Ca -0.04 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.68 2j4e s ALA 37 Cb -0.15 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2j4e s ALA 37 CO -0.04 -0.36 -0.07 -1.14 0.00 0.00 0.00 175.76 174.15 2j4e s GLN 38 N 0.93 1.34 -0.41 0.00 0.74 -0.47 -4.92 119.66 116.87 2j4e s GLN 38 Ca 0.56 -0.23 -0.24 0.00 0.05 0.00 0.00 55.36 55.50 2j4e s GLN 38 Cb -0.27 -1.32 0.02 0.00 1.10 0.00 0.00 33.01 32.54 2j4e s GLN 38 CO 0.29 -0.15 0.85 -1.59 -0.55 0.00 0.00 175.29 174.15 2j4e s LYS 39 N 1.28 3.65 0.04 1.67 -2.85 -1.26 -2.50 119.74 119.77 2j4e s LYS 39 Ca -0.04 0.26 0.05 0.00 -1.00 0.00 0.00 55.97 55.24 2j4e s LYS 39 Cb -0.14 -3.86 -0.02 0.00 -2.06 0.00 0.00 37.83 31.75 2j4e s LYS 39 CO -0.03 -1.02 -0.15 0.42 0.10 0.00 0.00 175.35 174.67 2j4e s ILE 40 N 3.39 1.18 -0.40 3.79 1.01 -1.26 -4.97 121.20 123.94 2j4e s ILE 40 Ca 0.34 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 2j4e s ILE 40 Cb -0.12 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2j4e s ILE 40 CO 0.21 0.03 0.28 -0.62 0.00 0.00 0.00 174.94 174.84 2j4e s ASP 41 N -1.14 6.02 -0.15 3.58 -1.08 -1.26 -4.34 116.67 118.31 2j4e s ASP 41 Ca 0.02 -0.90 -0.13 0.00 -0.52 0.00 0.00 52.55 51.02 2j4e s ASP 41 Cb -0.08 -2.13 -0.05 0.00 -1.46 0.00 0.00 42.92 39.21 2j4e s ASP 41 CO 0.01 -0.43 0.27 -0.76 0.52 0.00 0.00 175.17 174.79 2j4e s LEU 42 N 1.65 4.27 0.21 -1.34 1.43 -1.26 -5.06 118.68 118.59 2j4e s LEU 42 Ca 0.04 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 2j4e s LEU 42 Cb -0.19 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 2j4e s LEU 42 CO 0.09 0.15 1.28 -2.16 0.23 0.00 0.00 176.35 175.95 2j4e s PRO 43 N 0.20 4.41 0.01 1.29 0.04 -1.26 -5.01 135.00 134.69 2j4e s PRO 43 Ca 0.16 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 2j4e s PRO 43 Cb -0.13 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2j4e s PRO 43 CO 0.04 -0.20 0.25 -1.21 0.04 0.00 0.00 177.00 175.91 2j4e s GLU 44 N -0.32 3.54 0.65 4.56 2.02 -1.26 -4.83 118.70 123.06 2j4e s GLU 44 Ca 0.55 -0.16 -0.08 0.00 0.02 0.00 0.00 54.97 55.30 2j4e s GLU 44 Cb -0.36 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2j4e s GLU 44 CO 0.39 0.64 1.00 0.71 0.02 0.00 0.00 175.26 178.03 2j4e s TYR 45 N -1.34 3.25 0.18 1.61 2.02 -1.26 -5.08 117.35 116.73 2j4e s TYR 45 Ca 0.28 0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 57.62 2j4e s TYR 45 Cb -0.13 -2.94 -0.07 0.00 -0.40 0.00 0.00 41.96 38.42 2j4e s TYR 45 CO 0.18 -1.05 0.63 -0.65 -1.57 0.00 0.00 175.55 173.09 2j4e s GLN 46 N -5.18 4.12 0.00 -0.62 -0.21 -1.26 -4.87 119.66 111.63 2j4e s GLN 46 Ca 0.56 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.62 2j4e s GLN 46 Cb -0.11 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 30.97 2j4e s GLN 46 CO 0.48 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.51 2j4e n GLY 47 N 0.83 0.55 3.78 3.09 0.00 -1.26 -4.94 105.19 107.25 2j4e n GLY 47 Ca -0.04 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 2j4e n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j4e s GLU 48 N -2.00 4.43 0.40 1.61 0.41 -1.26 -4.90 118.70 117.39 2j4e s GLU 48 Ca 0.00 1.37 0.16 0.00 -0.41 0.00 0.00 54.97 56.09 2j4e s GLU 48 Cb 0.00 -2.67 1.03 0.00 -1.78 0.00 0.00 34.13 30.71 2j4e s GLU 48 CO 0.00 0.13 1.83 -1.35 -0.49 0.00 0.00 175.26 175.37 2j4e h PRO 49 N 2.86 0.45 -0.40 0.39 0.11 -1.99 -1.80 132.00 131.62 2j4e h PRO 49 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 2j4e h PRO 49 Cb 1.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2j4e h PRO 49 CO 0.64 0.30 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.01 2j4e h ASP 50 N 0.47 0.89 1.15 -2.05 3.32 -1.99 -0.61 116.42 117.59 2j4e h ASP 50 Ca 0.51 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 2j4e h ASP 50 Cb 1.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 2j4e h ASP 50 CO -0.23 1.10 -0.79 -0.08 -1.72 0.00 0.00 179.24 177.53 2j4e h GLU 51 N 0.73 0.00 -0.15 3.56 4.57 -1.82 -1.67 114.58 119.79 2j4e h GLU 51 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2j4e h GLU 51 Cb 0.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2j4e h GLU 51 CO 0.07 0.79 0.04 0.82 -1.18 0.00 0.00 179.01 179.54 2j4e h ILE 52 N 0.00 1.20 -0.39 2.32 2.04 -1.19 -1.76 117.51 119.73 2j4e h ILE 52 Ca -0.01 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 2j4e h ILE 52 Cb 1.57 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2j4e h ILE 52 CO 0.10 0.19 -0.13 0.28 0.00 0.00 0.00 178.15 178.59 2j4e h SER 53 N 0.04 0.79 -0.11 1.72 0.02 -1.13 -0.67 113.55 114.22 2j4e h SER 53 Ca 0.05 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2j4e h SER 53 Cb 0.25 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2j4e h SER 53 CO 0.00 0.99 -0.15 0.40 -1.14 0.00 0.00 176.83 176.93 2j4e h ILE 54 N 0.59 0.61 -0.31 3.27 2.04 -1.32 -1.74 117.51 120.64 2j4e h ILE 54 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 2j4e h ILE 54 Cb 0.66 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2j4e h ILE 54 CO 0.05 0.00 -0.26 1.56 0.00 0.00 0.00 178.15 179.49 2j4e h GLN 55 N -0.19 0.61 -0.46 2.37 1.08 -1.21 -1.59 115.11 115.71 2j4e h GLN 55 Ca 0.09 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 2j4e h GLN 55 Cb 0.32 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2j4e h GLN 55 CO -0.22 0.82 0.22 -0.22 -0.95 0.00 0.00 178.83 178.47 2j4e h LYS 56 N 0.53 0.65 -0.19 1.46 3.64 -0.98 -1.52 116.57 120.15 2j4e h LYS 56 Ca 0.07 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2j4e h LYS 56 Cb 0.73 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2j4e h LYS 56 CO 0.06 0.51 -0.35 0.00 -2.27 0.00 0.00 179.45 177.40 2j4e h GLN 58 N 0.25 0.00 -0.20 0.00 4.20 -1.17 -1.36 115.11 116.82 2j4e h GLN 58 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2j4e h GLN 58 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2j4e h GLN 58 CO 0.08 0.23 -0.50 1.49 -0.67 0.00 0.00 178.83 179.47 2j4e h GLU 59 N 0.00 0.70 -0.32 1.46 4.57 -1.20 -2.90 114.58 116.89 2j4e h GLU 59 Ca -0.00 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2j4e h GLU 59 Cb 0.55 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 2j4e h GLU 59 CO 0.03 1.10 0.17 0.00 -1.18 0.00 0.00 179.01 179.13 2j4e h ALA 60 N 0.60 0.41 -0.29 2.92 0.00 -1.11 -2.79 119.26 119.00 2j4e h ALA 60 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2j4e h ALA 60 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2j4e h ALA 60 CO 0.11 -0.05 0.21 0.28 0.00 0.00 0.00 179.25 179.80 2j4e h VAL 61 N 0.39 0.84 -0.05 0.00 2.07 -1.27 0.16 116.25 118.39 2j4e h VAL 61 Ca 0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 2j4e h VAL 61 Cb 0.08 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2j4e h VAL 61 CO -0.02 0.00 -0.43 0.03 0.02 0.00 0.00 177.57 177.17 2j4e h ARG 62 N 0.00 0.10 -0.02 1.57 3.08 -1.28 -2.14 114.38 115.69 2j4e h ARG 62 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2j4e h ARG 62 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2j4e h ARG 62 CO -0.00 0.52 -0.17 1.04 -1.07 0.00 0.00 179.97 180.28 2j4e n GLN 63 N -4.01 1.71 0.00 0.04 6.02 0.44 -4.58 117.38 117.00 2j4e n GLN 63 Ca -0.02 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 2j4e n GLN 63 Cb 0.47 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.34 2j4e n GLN 63 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2j4e n VAL 64 N 0.67 0.00 0.00 5.09 0.31 -0.58 -5.04 118.33 118.78 2j4e n VAL 64 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2j4e n VAL 64 Cb 0.48 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2j4e n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j4e n GLN 65 N -2.25 0.00 -0.50 5.55 10.64 -0.80 -4.94 117.38 125.07 2j4e n GLN 65 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 2j4e n GLN 65 Cb 0.44 -0.09 0.06 0.00 -0.86 0.00 0.00 30.24 29.79 2j4e n GLN 65 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j4e n GLY 66 N 0.00 -1.56 3.79 2.61 0.00 -1.26 -4.55 105.19 104.22 2j4e n GLY 66 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 2j4e n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j4e s PRO 67 N -3.83 4.03 0.01 1.61 0.04 -1.20 -4.01 135.00 131.65 2j4e s PRO 67 Ca 0.22 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 2j4e s PRO 67 Cb -0.01 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 2j4e s PRO 67 CO 0.16 -0.26 0.12 0.54 0.04 0.00 0.00 177.00 177.60 2j4e s VAL 68 N -1.74 0.10 0.02 -0.36 0.11 -0.50 -2.41 120.40 115.61 2j4e s VAL 68 Ca 0.61 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2j4e s VAL 68 Cb -0.21 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2j4e s VAL 68 CO 0.26 -0.44 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.19 2j4e s LEU 69 N -1.59 2.12 0.05 2.54 2.96 -0.71 -1.90 118.68 122.15 2j4e s LEU 69 Ca -0.12 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2j4e s LEU 69 Cb -0.06 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 2j4e s LEU 69 CO -0.00 0.14 0.02 0.68 -1.32 0.00 0.00 176.35 175.87 2j4e s VAL 70 N -0.66 0.19 -0.06 1.68 -7.23 -0.79 -1.51 120.40 112.02 2j4e s VAL 70 Ca 0.05 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2j4e s VAL 70 Cb -0.08 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.60 2j4e s VAL 70 CO 0.01 -0.84 0.14 -1.83 -0.31 0.00 0.00 175.10 172.27 2j4e s GLU 71 N -3.50 0.16 -0.03 4.82 4.04 -1.26 -0.81 118.70 122.13 2j4e s GLU 71 Ca 0.03 0.22 0.08 0.00 0.04 0.00 0.00 54.97 55.34 2j4e s GLU 71 Cb 0.05 0.05 -0.02 0.00 0.02 0.00 0.00 34.13 34.23 2j4e s GLU 71 CO -0.09 -0.04 -0.25 -0.51 -1.84 0.00 0.00 175.26 172.53 2j4e s ASP 72 N 0.21 3.08 -0.07 0.83 1.01 -0.26 -5.00 116.67 116.49 2j4e s ASP 72 Ca -0.01 -0.47 0.05 0.00 0.71 0.00 0.00 52.55 52.83 2j4e s ASP 72 Cb -0.02 -0.43 -0.01 0.00 1.01 0.00 0.00 42.92 43.47 2j4e s ASP 72 CO -0.01 0.31 -0.22 -0.89 0.21 0.00 0.00 175.17 174.57 2j4e s THR 73 N -0.55 2.30 0.16 -1.27 2.01 -1.26 -0.74 115.64 116.30 2j4e s THR 73 Ca 0.08 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.20 2j4e s THR 73 Cb -0.11 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2j4e s THR 73 CO -0.00 0.57 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 2j4e s LEU 75 N -2.63 1.68 -0.26 0.00 2.96 -1.15 -1.23 118.68 118.06 2j4e s LEU 75 Ca 0.23 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2j4e s LEU 75 Cb -0.09 -1.00 0.08 0.00 0.50 0.00 0.00 46.19 45.68 2j4e s LEU 75 CO 0.14 0.02 0.04 0.00 -1.32 0.00 0.00 176.35 175.23 2j4e s PHE 77 N 1.61 3.59 0.19 0.00 0.08 0.87 -1.36 117.98 122.97 2j4e s PHE 77 Ca 0.03 1.63 -0.08 0.00 0.12 0.00 0.00 56.93 58.63 2j4e s PHE 77 Cb -0.18 -3.14 0.10 0.00 -0.57 0.00 0.00 43.02 39.24 2j4e s PHE 77 CO -0.15 -0.10 1.68 -0.91 -0.10 0.00 0.00 175.22 175.65 2j4e h ASN 78 N 6.93 1.07 -0.02 1.36 4.21 -1.40 -0.74 115.58 126.99 2j4e h ASN 78 Ca -0.37 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 56.88 2j4e h ASN 78 Cb 1.19 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 38.10 2j4e h ASN 78 CO 0.80 1.07 0.14 0.00 -1.29 0.00 0.00 177.43 178.14 2j4e h ALA 79 N 1.05 1.20 -0.39 -0.83 0.00 -1.80 -0.92 119.26 117.57 2j4e h ALA 79 Ca 0.20 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2j4e h ALA 79 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 2j4e h ALA 79 CO 0.02 -0.15 0.02 1.28 0.00 0.00 0.00 179.25 180.41 2j4e n LEU 80 N -3.09 4.33 -1.89 0.00 4.77 -0.91 -4.95 117.00 115.28 2j4e n LEU 80 Ca -0.02 -3.54 -0.17 0.00 -0.03 0.00 0.00 56.01 52.24 2j4e n LEU 80 Cb 0.21 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 2j4e n LEU 80 CO 0.18 1.07 -0.21 0.61 -1.33 0.00 0.00 177.39 177.71 2j4e n GLY 81 N -0.94 -0.11 1.54 -0.72 0.00 -0.35 -2.22 105.19 102.39 2j4e n GLY 81 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2j4e n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j4e n GLY 82 N -1.00 0.54 3.95 -0.02 0.00 -0.33 -5.01 105.19 103.32 2j4e n GLY 82 Ca -0.20 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 2j4e n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j4e s LEU 83 N 0.00 3.57 0.32 0.99 1.43 -0.94 -3.15 118.68 120.91 2j4e s LEU 83 Ca 0.00 -0.54 0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2j4e s LEU 83 Cb 0.00 -2.40 0.92 0.00 0.03 0.00 0.00 46.19 44.74 2j4e s LEU 83 CO 0.00 -0.67 1.46 -0.81 0.23 0.00 0.00 176.35 176.56 2j4e n PRO 84 N -1.68 0.11 0.00 1.29 -0.04 -1.25 -0.09 135.00 133.33 2j4e n PRO 84 Ca 0.05 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2j4e n PRO 84 Cb 0.60 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2j4e n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2j4e n GLY 85 N -1.28 3.67 0.00 0.55 0.00 0.79 -1.20 105.19 107.72 2j4e n GLY 85 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.18 2j4e n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j4e n PRO 86 N 14.00 0.33 -0.63 1.61 -0.04 -1.26 -2.16 135.00 146.85 2j4e n PRO 86 Ca 0.00 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 2j4e n PRO 86 Cb 0.00 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.29 2j4e n PRO 86 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2j4e n TYR 87 N -1.23 1.47 -0.23 0.54 4.01 -0.34 -4.69 117.16 116.69 2j4e n TYR 87 Ca 0.10 -0.70 0.07 0.00 -0.16 0.00 0.00 57.90 57.21 2j4e n TYR 87 Cb 0.13 -0.33 0.33 0.00 -0.31 0.00 0.00 39.34 39.17 2j4e n TYR 87 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2j4e h ILE 88 N 3.36 0.98 -0.83 -0.72 6.09 -1.48 -2.26 117.51 122.64 2j4e h ILE 88 Ca 0.00 -0.27 0.17 0.00 -1.37 0.00 0.00 64.86 63.38 2j4e h ILE 88 Cb 1.56 0.11 -0.16 0.00 0.47 0.00 0.00 36.82 38.81 2j4e h ILE 88 CO 0.30 0.15 -0.19 0.50 -3.07 0.00 0.00 178.15 175.83 2j4e h LYS 89 N 0.80 0.00 -0.13 2.19 3.64 -1.86 -0.80 116.57 120.41 2j4e h LYS 89 Ca 0.36 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 2j4e h LYS 89 Cb 0.36 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2j4e h LYS 89 CO -0.14 0.00 -0.57 -1.49 -2.27 0.00 0.00 179.45 174.98 2j4e h TRP 90 N 0.00 0.82 -0.51 1.91 4.06 -1.79 -1.55 115.95 118.89 2j4e h TRP 90 Ca 0.40 -0.36 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 2j4e h TRP 90 Cb 0.63 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 2j4e h TRP 90 CO -0.64 1.15 0.31 0.74 -3.56 0.00 0.00 178.44 176.44 2j4e h PHE 91 N 0.26 0.66 -0.27 0.49 0.04 -1.48 -0.85 116.94 115.79 2j4e h PHE 91 Ca -0.04 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2j4e h PHE 91 Cb 1.21 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 2j4e h PHE 91 CO 0.10 0.44 0.03 1.25 -0.60 0.00 0.00 178.31 179.53 2j4e h LEU 92 N 0.70 0.44 -1.16 1.54 5.85 -0.85 0.11 115.31 121.93 2j4e h LEU 92 Ca 0.19 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2j4e h LEU 92 Cb -0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2j4e h LEU 92 CO -0.04 0.61 0.37 -0.08 -0.34 0.00 0.00 178.44 178.96 2j4e h GLU 93 N 0.25 0.95 0.14 1.25 4.81 -0.61 -0.54 114.58 120.83 2j4e h GLU 93 Ca 0.08 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 58.94 2j4e h GLU 93 Cb 0.37 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.57 2j4e h GLU 93 CO 0.01 0.70 -1.29 0.87 -0.73 0.00 0.00 179.01 178.57 2j4e h LYS 94 N 0.95 0.31 0.00 1.92 1.79 -1.09 -3.42 116.57 117.03 2j4e h LYS 94 Ca 0.24 -0.52 -0.15 0.00 -2.18 0.00 0.00 60.65 58.04 2j4e h LYS 94 Cb 0.03 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 2j4e h LYS 94 CO -0.04 1.25 -1.83 1.28 -1.08 0.00 0.00 179.45 179.03 2j4e n LEU 95 N -3.93 0.00 -0.52 2.94 4.77 0.02 -5.07 117.00 115.21 2j4e n LEU 95 Ca -0.21 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2j4e n LEU 95 Cb 0.92 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 42.19 2j4e n LEU 95 CO 0.46 0.21 -0.14 1.17 -1.33 0.00 0.00 177.39 177.76 2j4e n LYS 96 N -2.31 -1.10 -0.13 3.23 3.00 -0.22 -2.28 118.16 118.36 2j4e n LYS 96 Ca -0.15 0.78 0.01 0.00 -0.00 0.00 0.00 58.31 58.96 2j4e n LYS 96 Cb 0.73 -1.32 0.29 0.00 0.00 0.00 0.00 35.03 34.73 2j4e n LYS 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2j4e h PRO 97 N -0.49 0.80 -0.88 1.64 0.11 -1.86 -1.67 132.00 129.65 2j4e h PRO 97 Ca -0.02 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.06 2j4e h PRO 97 Cb 0.48 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 2j4e h PRO 97 CO 0.01 0.57 0.58 1.49 -0.21 0.00 0.00 178.00 180.44 2j4e h GLU 98 N 0.82 1.07 0.00 1.05 4.22 -1.95 -2.49 114.58 117.29 2j4e h GLU 98 Ca 0.21 -0.06 -0.21 0.00 0.08 0.00 0.00 59.36 59.38 2j4e h GLU 98 Cb -0.01 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 2j4e h GLU 98 CO -0.04 0.71 -1.02 0.78 -2.18 0.00 0.00 179.01 177.27 2j4e h GLY 99 N 1.11 0.01 1.34 1.92 0.00 -1.18 -2.72 103.07 103.54 2j4e h GLY 99 Ca 0.35 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.71 2j4e h GLY 99 CO -0.10 0.02 0.32 1.41 0.00 0.00 0.00 176.54 178.19 2j4e h LEU 100 N 0.00 0.40 0.10 3.11 3.38 -0.89 -0.45 115.31 120.96 2j4e h LEU 100 Ca -0.02 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 2j4e h LEU 100 Cb 1.78 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 42.47 2j4e h LEU 100 CO 0.13 0.27 -1.11 -0.74 0.09 0.00 0.00 178.44 177.08 2j4e h HIS 101 N 0.46 0.92 0.00 1.13 2.76 -1.43 -3.21 115.15 115.77 2j4e h HIS 101 Ca 0.21 -0.57 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2j4e h HIS 101 Cb 0.24 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2j4e h HIS 101 CO -0.00 1.42 -0.05 1.96 -1.30 0.00 0.00 177.93 179.96 2j4e h GLN 102 N 0.16 0.00 0.00 5.26 4.20 -1.14 -2.59 115.11 121.00 2j4e h GLN 102 Ca -0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2j4e h GLN 102 Cb 1.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.58 2j4e h GLN 102 CO 0.21 0.05 0.00 1.25 -0.67 0.00 0.00 178.83 179.67 2j4e h LEU 103 N 0.00 0.00 -3.21 1.46 5.85 -1.09 -1.21 115.31 117.11 2j4e h LEU 103 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2j4e h LEU 103 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2j4e h LEU 103 CO 0.01 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.29 2j4e n LEU 104 N -2.89 4.18 -0.28 2.25 4.77 -0.98 -4.69 117.00 119.37 2j4e n LEU 104 Ca -0.00 -2.68 0.06 0.00 -0.03 0.00 0.00 56.01 53.37 2j4e n LEU 104 Cb 0.21 -0.51 0.29 0.00 -2.33 0.00 0.00 43.42 41.08 2j4e n LEU 104 CO 0.23 0.71 1.24 0.00 -1.33 0.00 0.00 177.39 178.24 2j4e h ALA 105 N 2.70 1.61 -0.90 -1.18 0.00 -1.30 -2.58 119.26 117.61 2j4e h ALA 105 Ca 0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 2j4e h ALA 105 Cb 1.39 -0.22 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 2j4e h ALA 105 CO 0.22 0.23 0.54 0.41 0.00 0.00 0.00 179.25 180.64 2j4e n GLY 106 N -1.41 5.32 2.81 0.00 0.00 -1.26 -4.91 105.19 105.75 2j4e n GLY 106 Ca 0.14 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 2j4e n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j4e s PHE 107 N -3.55 0.12 0.11 1.61 0.08 -0.98 -5.05 117.98 110.32 2j4e s PHE 107 Ca 0.58 0.06 -0.16 0.00 0.12 0.00 0.00 56.93 57.54 2j4e s PHE 107 Cb 0.48 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.64 2j4e s PHE 107 CO 0.04 -0.08 1.52 0.93 -0.10 0.00 0.00 175.22 177.53 2j4e h GLU 108 N 6.98 0.64 -6.29 0.44 5.08 -1.91 -3.42 114.58 116.09 2j4e h GLU 108 Ca -0.40 -0.24 -0.56 0.00 -1.00 0.00 0.00 59.36 57.16 2j4e h GLU 108 Cb 1.15 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2j4e h GLU 108 CO 0.49 0.80 1.09 0.34 -1.00 0.00 0.00 179.01 180.73 2j4e s ASP 109 N -6.23 6.46 0.00 1.42 2.15 -1.26 -4.86 116.67 114.35 2j4e s ASP 109 Ca -0.13 1.57 0.24 0.00 0.43 0.00 0.00 52.55 54.66 2j4e s ASP 109 Cb 0.09 -2.53 0.32 0.00 -0.30 0.00 0.00 42.92 40.50 2j4e s ASP 109 CO 0.79 -1.20 1.34 0.29 -0.17 0.00 0.00 175.17 176.22 2j4e n LYS 110 N 7.54 2.35 -2.34 4.34 4.76 -1.26 -4.56 118.16 129.00 2j4e n LYS 110 Ca 0.18 -1.99 -0.37 0.00 -2.87 0.00 0.00 58.31 53.26 2j4e n LYS 110 Cb 0.45 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 2j4e n LYS 110 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2j4e s SER 111 N -1.82 6.27 0.28 4.39 1.04 -1.26 -0.96 113.70 121.64 2j4e s SER 111 Ca 0.32 2.21 -0.14 0.00 0.48 0.00 0.00 55.95 58.83 2j4e s SER 111 Cb 0.21 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.74 2j4e s SER 111 CO 0.31 -0.84 0.57 0.00 0.98 0.00 0.00 173.24 174.26 2j4e s ALA 112 N -1.62 -0.39 -0.04 5.32 0.00 -0.35 -1.12 121.76 123.56 2j4e s ALA 112 Ca 0.63 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2j4e s ALA 112 Cb -0.26 0.98 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2j4e s ALA 112 CO 0.32 -0.91 0.23 1.52 0.00 0.00 0.00 175.76 176.92 2j4e s TYR 113 N -3.66 -0.15 -0.17 0.00 -0.85 -0.46 -0.14 117.35 111.92 2j4e s TYR 113 Ca 0.20 0.30 -0.07 0.00 -0.52 0.00 0.00 57.07 56.99 2j4e s TYR 113 Cb -0.02 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 2j4e s TYR 113 CO 0.10 -0.26 0.05 0.00 -1.52 0.00 0.00 175.55 173.92 2j4e s ALA 114 N -0.76 3.36 -0.08 9.51 0.00 0.85 -1.24 121.76 133.40 2j4e s ALA 114 Ca -0.09 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2j4e s ALA 114 Cb -0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2j4e s ALA 114 CO 0.02 0.22 -0.24 -1.17 0.00 0.00 0.00 175.76 174.58 2j4e s LEU 115 N 0.27 2.08 -0.20 0.00 2.96 -0.36 -1.43 118.68 122.01 2j4e s LEU 115 Ca 0.03 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2j4e s LEU 115 Cb -0.13 -1.39 0.05 0.00 0.50 0.00 0.00 46.19 45.22 2j4e s LEU 115 CO 0.01 0.21 -0.08 0.00 -1.32 0.00 0.00 176.35 175.16 2j4e s THR 117 N 1.45 2.99 -0.05 0.00 2.01 0.08 -1.29 115.64 120.83 2j4e s THR 117 Ca -0.02 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 2j4e s THR 117 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2j4e s THR 117 CO -0.08 0.34 0.19 -0.36 -0.69 0.00 0.00 174.62 174.02 2j4e s PHE 118 N 1.39 3.58 -0.03 4.92 0.08 -0.24 -1.10 117.98 126.58 2j4e s PHE 118 Ca 0.03 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.61 2j4e s PHE 118 Cb -0.15 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.38 2j4e s PHE 118 CO -0.05 0.68 -0.13 0.00 -0.10 0.00 0.00 175.22 175.62 2j4e s ALA 119 N -1.18 1.22 0.02 5.36 0.00 0.01 0.27 121.76 127.46 2j4e s ALA 119 Ca 0.22 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.71 2j4e s ALA 119 Cb -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2j4e s ALA 119 CO 0.12 0.22 -0.20 -1.17 0.00 0.00 0.00 175.76 174.73 2j4e s LEU 120 N 0.08 2.11 0.01 0.00 2.96 0.32 -1.89 118.68 122.27 2j4e s LEU 120 Ca -0.03 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2j4e s LEU 120 Cb -0.10 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2j4e s LEU 120 CO 0.01 0.19 0.06 -0.55 -1.32 0.00 0.00 176.35 174.73 2j4e s SER 121 N -0.87 0.12 0.10 3.68 0.15 -0.80 -1.28 113.70 114.80 2j4e s SER 121 Ca 0.07 -0.32 0.26 0.00 0.70 0.00 0.00 55.95 56.67 2j4e s SER 121 Cb -0.08 0.15 0.80 0.00 -1.71 0.00 0.00 66.02 65.18 2j4e s SER 121 CO 0.01 -0.32 1.68 0.35 1.20 0.00 0.00 173.24 176.16 2j4e n THR 122 N 1.61 0.29 0.00 6.45 -2.24 -1.26 -1.41 114.28 117.72 2j4e n THR 122 Ca -0.23 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2j4e n THR 122 Cb 0.56 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2j4e n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j4e n GLY 123 N 1.40 1.48 3.55 3.38 0.00 -1.26 -3.22 105.19 110.53 2j4e n GLY 123 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2j4e n GLY 123 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2j4e s ASP 124 N -1.88 4.09 -0.02 1.61 -4.77 -1.26 -4.73 116.67 109.71 2j4e s ASP 124 Ca 0.00 -0.71 0.06 0.00 -3.30 0.00 0.00 52.55 48.60 2j4e s ASP 124 Cb 0.00 -0.61 0.22 0.00 -1.09 0.00 0.00 42.92 41.43 2j4e s ASP 124 CO 0.00 0.07 1.07 -0.81 0.70 0.00 0.00 175.17 176.20 2j4e n PRO 125 N -0.26 1.75 0.18 2.11 -0.04 -1.26 -3.51 135.00 133.97 2j4e n PRO 125 Ca -0.09 -0.86 0.12 0.00 -0.04 0.00 0.00 63.50 62.63 2j4e n PRO 125 Cb 0.57 -1.36 0.21 0.00 -0.04 0.00 0.00 33.50 32.88 2j4e n PRO 125 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2j4e h SER 126 N 1.29 0.00 -3.36 3.54 0.02 -2.03 -3.44 113.55 109.56 2j4e h SER 126 Ca 0.00 -0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.28 2j4e h SER 126 Cb 0.52 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.79 2j4e h SER 126 CO 0.05 0.00 -0.78 -1.10 -1.14 0.00 0.00 176.83 173.87 2j4e s GLN 127 N -3.20 3.30 0.78 3.45 -1.52 -1.23 -5.13 119.66 116.11 2j4e s GLN 127 Ca 0.07 -0.71 -0.11 0.00 -1.95 0.00 0.00 55.36 52.66 2j4e s GLN 127 Cb 0.07 -2.58 0.06 0.00 -0.22 0.00 0.00 33.01 30.34 2j4e s GLN 127 CO 0.67 0.23 1.09 -1.25 -0.25 0.00 0.00 175.29 175.78 2j4e s PRO 128 N 0.29 2.27 0.43 2.91 0.04 -1.26 -4.88 135.00 134.79 2j4e s PRO 128 Ca -0.11 0.73 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 2j4e s PRO 128 Cb -0.16 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2j4e s PRO 128 CO 0.06 -1.51 1.16 0.08 0.04 0.00 0.00 177.00 176.82 2j4e s VAL 129 N -3.12 3.19 -0.19 -0.36 1.01 -1.26 -4.90 120.40 114.77 2j4e s VAL 129 Ca 0.60 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 2j4e s VAL 129 Cb -0.14 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2j4e s VAL 129 CO 0.54 0.03 -0.10 -0.60 0.00 0.00 0.00 175.10 174.98 2j4e s ARG 130 N -2.50 3.27 -0.08 2.72 3.00 -0.41 -4.93 118.95 120.03 2j4e s ARG 130 Ca 0.60 -0.69 -0.04 0.00 -1.00 0.00 0.00 55.73 54.59 2j4e s ARG 130 Cb -0.29 -2.81 -0.04 0.00 0.00 0.00 0.00 34.95 31.81 2j4e s ARG 130 CO 0.36 -0.12 0.12 -0.51 0.00 0.00 0.00 175.30 175.14 2j4e s LEU 131 N 1.21 4.19 -0.26 -0.88 1.43 -1.26 -0.52 118.68 122.59 2j4e s LEU 131 Ca 0.02 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2j4e s LEU 131 Cb -0.14 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 43.99 2j4e s LEU 131 CO -0.04 0.36 -0.01 -0.36 0.23 0.00 0.00 176.35 176.53 2j4e s PHE 132 N -1.09 2.36 0.05 0.29 0.08 0.14 -4.97 117.98 114.84 2j4e s PHE 132 Ca 0.18 -1.84 -0.01 0.00 0.12 0.00 0.00 56.93 55.38 2j4e s PHE 132 Cb -0.12 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2j4e s PHE 132 CO 0.08 -0.80 0.22 1.03 -0.10 0.00 0.00 175.22 175.65 2j4e s ARG 133 N 1.40 3.45 -0.11 0.44 0.52 -1.26 -1.08 118.95 122.31 2j4e s ARG 133 Ca -0.01 -0.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 2j4e s ARG 133 Cb -0.18 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.28 2j4e s ARG 133 CO -0.10 0.61 0.39 0.20 0.02 0.00 0.00 175.30 176.43 2j4e s GLY 134 N -2.39 -0.28 -0.08 -3.53 0.00 -0.41 -4.08 107.32 96.56 2j4e s GLY 134 Ca 0.34 0.94 -0.08 0.00 0.00 0.00 0.00 44.72 45.92 2j4e s GLY 134 CO 0.26 0.76 0.23 -1.60 0.00 0.00 0.00 173.10 172.75 2j4e s ARG 135 N -0.23 0.31 0.00 2.90 3.52 -1.26 -0.75 118.95 123.44 2j4e s ARG 135 Ca -0.04 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.82 2j4e s ARG 135 Cb -0.03 0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2j4e s ARG 135 CO 0.02 -0.05 -0.04 0.99 -0.81 0.00 0.00 175.30 175.42 2j4e s THR 136 N -0.06 0.29 0.30 4.11 2.01 -0.51 -4.77 115.64 117.01 2j4e s THR 136 Ca -0.02 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.80 2j4e s THR 136 Cb -0.02 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2j4e s THR 136 CO 0.01 0.02 0.30 -0.44 -0.69 0.00 0.00 174.62 173.81 2j4e s SER 137 N -0.25 5.55 0.00 3.53 0.01 -1.26 -0.10 113.70 121.17 2j4e s SER 137 Ca -0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2j4e s SER 137 Cb -0.02 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2j4e s SER 137 CO -0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2j4e n GLY 138 N -1.36 1.15 3.12 3.44 0.00 0.80 -1.68 105.19 110.66 2j4e n GLY 138 Ca -0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 2j4e n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j4e s ARG 139 N 1.04 0.68 -0.22 1.61 0.52 0.02 -1.21 118.95 121.39 2j4e s ARG 139 Ca 0.00 -0.87 -0.15 0.00 -0.52 0.00 0.00 55.73 54.19 2j4e s ARG 139 Cb 0.00 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.88 2j4e s ARG 139 CO 0.00 0.11 0.38 0.42 0.02 0.00 0.00 175.30 176.23 2j4e s ILE 140 N -1.39 5.20 0.21 1.52 -1.09 -0.14 -1.39 121.20 124.13 2j4e s ILE 140 Ca -0.05 0.64 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 2j4e s ILE 140 Cb -0.10 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2j4e s ILE 140 CO 0.01 0.23 -0.04 0.68 -1.23 0.00 0.00 174.94 174.59 2j4e s VAL 141 N 1.50 1.16 0.19 2.92 -7.23 -0.65 -4.93 120.40 113.37 2j4e s VAL 141 Ca 0.17 -2.06 -0.33 0.00 -1.81 0.00 0.00 61.98 57.95 2j4e s VAL 141 Cb -0.15 -2.22 -0.14 0.00 0.56 0.00 0.00 36.38 34.43 2j4e s VAL 141 CO 0.08 -0.44 1.53 0.00 -0.31 0.00 0.00 175.10 175.96 2j4e n ALA 142 N -0.38 1.29 -1.54 1.32 0.00 -1.26 -4.49 120.51 115.45 2j4e n ALA 142 Ca -0.06 0.44 -0.44 0.00 0.00 0.00 0.00 53.44 53.37 2j4e n ALA 142 Cb 0.63 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 2j4e n ALA 142 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2j4e n PRO 143 N 2.98 1.02 -3.70 0.00 -0.02 -1.26 -4.84 135.00 129.18 2j4e n PRO 143 Ca 0.15 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2j4e n PRO 143 Cb 0.30 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 2j4e n PRO 143 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2j4e s ARG 144 N -1.56 0.53 0.00 -0.52 0.52 -0.23 -4.96 118.95 112.73 2j4e s ARG 144 Ca 0.61 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 2j4e s ARG 144 Cb -0.69 0.20 0.00 0.00 0.52 0.00 0.00 34.95 34.98 2j4e s ARG 144 CO 0.59 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.23 2j4e n GLY 145 N 3.22 2.45 0.05 -3.53 0.00 -1.26 -4.09 105.19 102.02 2j4e n GLY 145 Ca -0.16 -1.88 0.06 0.00 0.00 0.00 0.00 46.02 44.03 2j4e n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j4e s GLN 147 N -3.22 2.41 -0.99 0.00 -1.52 -0.96 -4.90 119.66 110.48 2j4e s GLN 147 Ca -0.07 0.63 -0.22 0.00 -1.95 0.00 0.00 55.36 53.76 2j4e s GLN 147 Cb 0.11 -4.58 0.06 0.00 -0.22 0.00 0.00 33.01 28.39 2j4e s GLN 147 CO 0.86 -3.10 1.39 0.34 -0.25 0.00 0.00 175.29 174.52 2j4e s ASP 148 N 9.27 6.51 -0.29 5.90 2.15 -1.26 -4.60 116.67 134.35 2j4e s ASP 148 Ca 0.77 -1.53 -0.02 0.00 0.43 0.00 0.00 52.55 52.20 2j4e s ASP 148 Cb -0.13 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.05 2j4e s ASP 148 CO 0.17 -1.44 0.11 0.12 -0.17 0.00 0.00 175.17 173.96 2j4e s PHE 149 N 4.59 1.06 0.00 -5.34 5.99 -1.26 -5.09 117.98 117.92 2j4e s PHE 149 Ca 0.43 -1.29 0.00 0.00 0.00 0.00 0.00 56.93 56.07 2j4e s PHE 149 Cb -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 43.02 41.70 2j4e s PHE 149 CO -0.09 -0.83 0.00 0.41 -0.00 0.00 0.00 175.22 174.71 2j4e n GLY 150 N 5.04 2.80 0.63 13.12 0.00 -1.26 -1.54 105.19 123.97 2j4e n GLY 150 Ca -0.04 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2j4e n GLY 150 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2j4e n TRP 151 N 13.81 0.36 -0.27 1.61 4.27 -1.26 -4.43 117.44 131.52 2j4e n TRP 151 Ca 0.00 -0.18 0.08 0.00 -3.89 0.00 0.00 57.50 53.51 2j4e n TRP 151 Cb 0.00 0.00 0.32 0.00 -1.36 0.00 0.00 31.31 30.27 2j4e n TRP 151 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 2j4e h ASP 152 N 2.22 0.76 -0.74 -0.67 3.32 -1.62 -1.20 116.42 118.49 2j4e h ASP 152 Ca 0.00 0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.26 2j4e h ASP 152 Cb 0.50 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 2j4e h ASP 152 CO 0.00 0.45 0.52 -0.65 -1.72 0.00 0.00 179.24 177.83 2j4e h PRO 153 N 0.84 0.16 -0.33 3.56 0.11 -1.77 -2.88 132.00 131.68 2j4e h PRO 153 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2j4e h PRO 153 Cb 0.43 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2j4e h PRO 153 CO -0.17 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.73 2j4e s PHE 155 N -1.46 3.37 -0.49 0.00 5.36 -1.19 -1.63 117.98 121.94 2j4e s PHE 155 Ca 0.28 -2.28 -0.17 0.00 -0.96 0.00 0.00 56.93 53.80 2j4e s PHE 155 Cb 0.18 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 40.67 2j4e s PHE 155 CO 0.14 -0.87 0.49 -1.14 -1.46 0.00 0.00 175.22 172.38 2j4e s GLN 156 N 1.13 3.03 0.38 10.12 0.74 -0.49 -2.42 119.66 132.16 2j4e s GLN 156 Ca -0.03 -1.19 -0.26 0.00 0.05 0.00 0.00 55.36 53.94 2j4e s GLN 156 Cb -0.20 -4.13 -0.09 0.00 1.10 0.00 0.00 33.01 29.70 2j4e s GLN 156 CO -0.04 -1.11 1.13 -1.25 -0.55 0.00 0.00 175.29 173.46 2j4e s PRO 157 N 2.02 4.18 0.40 1.67 0.04 -1.26 -0.80 135.00 141.26 2j4e s PRO 157 Ca 0.08 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 2j4e s PRO 157 Cb -0.22 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 2j4e s PRO 157 CO 0.08 -0.18 1.45 -0.25 0.04 0.00 0.00 177.00 178.14 2j4e n ASP 158 N 0.22 3.53 0.00 6.66 10.43 -0.68 -2.45 116.55 134.26 2j4e n ASP 158 Ca 0.04 1.19 0.00 0.00 2.57 0.00 0.00 54.79 58.58 2j4e n ASP 158 Cb 0.47 -1.60 0.00 0.00 1.84 0.00 0.00 41.12 41.83 2j4e n ASP 158 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j4e n GLY 159 N 0.53 2.21 3.34 0.44 0.00 -1.26 -5.00 105.19 105.44 2j4e n GLY 159 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2j4e n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j4e s TYR 160 N -2.47 1.79 -1.99 1.61 1.51 -1.03 -5.04 117.35 111.74 2j4e s TYR 160 Ca 0.00 -0.49 0.23 0.00 -1.01 0.00 0.00 57.07 55.80 2j4e s TYR 160 Cb 0.00 -0.87 0.11 0.00 -0.11 0.00 0.00 41.96 41.09 2j4e s TYR 160 CO 0.00 0.34 1.16 0.39 -1.11 0.00 0.00 175.55 176.34 2j4e n GLU 161 N 0.12 1.15 -4.31 -0.62 1.02 -1.26 -4.71 120.64 112.02 2j4e n GLU 161 Ca -0.12 -0.92 -0.34 0.00 -0.02 0.00 0.00 57.16 55.76 2j4e n GLU 161 Cb 0.58 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 2j4e n GLU 161 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2j4e s GLN 162 N -2.49 2.98 0.96 3.49 -0.21 -1.26 -5.09 119.66 118.05 2j4e s GLN 162 Ca 0.19 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 55.02 2j4e s GLN 162 Cb 0.18 -2.80 0.16 0.00 1.00 0.00 0.00 33.01 31.56 2j4e s GLN 162 CO 0.57 0.69 1.09 0.95 -2.12 0.00 0.00 175.29 176.46 2j4e s THR 163 N -0.95 2.38 0.47 -0.19 -4.23 -1.26 -4.24 115.64 107.62 2j4e s THR 163 Ca 0.15 0.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.95 2j4e s THR 163 Cb -0.11 -2.55 0.22 0.00 1.34 0.00 0.00 72.50 71.40 2j4e s THR 163 CO 0.05 -0.16 2.05 1.88 -0.54 0.00 0.00 174.62 177.90 2j4e h TYR 164 N -1.78 0.00 0.00 3.99 0.05 -1.37 -2.51 116.97 115.35 2j4e h TYR 164 Ca -0.52 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.23 2j4e h TYR 164 Cb 1.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 2j4e h TYR 164 CO 0.37 0.12 -0.13 0.00 -1.05 0.00 0.00 178.16 177.47 2j4e h ALA 165 N 1.88 0.98 0.00 3.88 0.00 -1.72 -3.08 119.26 121.19 2j4e h ALA 165 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2j4e h ALA 165 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2j4e h ALA 165 CO 0.02 0.16 -0.45 0.93 0.00 0.00 0.00 179.25 179.91 2j4e h GLU 166 N 0.00 0.00 -6.93 0.00 5.08 -1.60 -2.52 114.58 108.61 2j4e h GLU 166 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2j4e h GLU 166 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2j4e h GLU 166 CO 0.02 0.00 0.28 -1.64 -1.00 0.00 0.00 179.01 176.67 2j4e s MET 167 N -3.26 4.28 0.66 2.33 -1.94 -1.17 -4.96 119.30 115.24 2j4e s MET 167 Ca 0.04 1.08 -0.18 0.00 -1.71 0.00 0.00 55.69 54.92 2j4e s MET 167 Cb 0.08 -2.41 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 2j4e s MET 167 CO 0.72 0.10 1.24 -0.35 -0.01 0.00 0.00 175.02 176.72 2j4e n PRO 168 N -0.22 1.01 0.25 2.03 -0.04 -1.26 -4.86 135.00 131.92 2j4e n PRO 168 Ca 0.05 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 2j4e n PRO 168 Cb 0.53 -2.48 0.56 0.00 -0.04 0.00 0.00 33.50 32.07 2j4e n PRO 168 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2j4e h LYS 169 N 0.40 0.00 -1.00 0.54 1.63 -1.96 -1.11 116.57 115.07 2j4e h LYS 169 Ca -0.50 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2j4e h LYS 169 Cb 1.34 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.91 2j4e h LYS 169 CO 0.52 0.10 0.66 0.00 -3.45 0.00 0.00 179.45 177.28 2j4e h ALA 170 N 1.90 1.33 -0.00 5.00 0.00 -1.98 -1.24 119.26 124.27 2j4e h ALA 170 Ca -0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2j4e h ALA 170 Cb 0.63 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2j4e h ALA 170 CO 0.01 0.58 -0.98 1.49 0.00 0.00 0.00 179.25 180.35 2j4e h GLU 171 N 1.29 0.67 0.17 0.00 4.81 -1.60 -3.19 114.58 116.73 2j4e h GLU 171 Ca 0.39 -0.72 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2j4e h GLU 171 Cb -0.03 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2j4e h GLU 171 CO -0.12 1.30 -0.08 -0.22 -0.73 0.00 0.00 179.01 179.16 2j4e h LYS 172 N 0.33 -0.22 0.00 1.92 3.64 -1.28 -2.62 116.57 118.34 2j4e h LYS 172 Ca -0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2j4e h LYS 172 Cb 1.64 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2j4e h LYS 172 CO 0.19 0.09 0.06 0.09 -2.27 0.00 0.00 179.45 177.61 2j4e n ASN 173 N -5.05 0.00 -0.32 4.20 3.02 -0.47 -0.50 115.26 116.14 2j4e n ASN 173 Ca -0.09 0.35 0.08 0.00 -0.03 0.00 0.00 54.58 54.89 2j4e n ASN 173 Cb 0.22 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 2j4e n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j4e n ALA 174 N -1.33 3.41 0.00 5.41 0.00 -1.00 -4.67 120.51 122.32 2j4e n ALA 174 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2j4e n ALA 174 Cb 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2j4e n ALA 174 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j4e n VAL 175 N -0.33 0.00 -1.60 0.00 0.24 -0.01 -5.02 118.33 111.62 2j4e n VAL 175 Ca 0.06 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 2j4e n VAL 175 Cb 0.34 0.76 0.09 0.00 -1.47 0.00 0.00 33.84 33.56 2j4e n VAL 175 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2j4e s SER 176 N -0.05 4.53 0.40 -1.34 1.04 0.35 -4.83 113.70 113.80 2j4e s SER 176 Ca 0.00 1.25 0.18 0.00 0.48 0.00 0.00 55.95 57.87 2j4e s SER 176 Cb 0.00 -1.98 1.11 0.00 0.10 0.00 0.00 66.02 65.25 2j4e s SER 176 CO 0.00 -1.94 1.77 1.12 0.98 0.00 0.00 173.24 175.17 2j4e h HIS 177 N -1.07 0.66 -0.14 5.02 2.07 -1.86 -2.20 115.15 117.64 2j4e h HIS 177 Ca -0.47 0.02 -0.18 0.00 -2.85 0.00 0.00 60.37 56.89 2j4e h HIS 177 Cb 1.27 -0.19 0.01 0.00 2.57 0.00 0.00 27.41 31.07 2j4e h HIS 177 CO 0.45 0.05 -0.62 -0.09 -3.07 0.00 0.00 177.93 174.65 2j4e h ARG 178 N 0.39 0.67 0.08 5.12 2.43 -1.91 -2.58 114.38 118.58 2j4e h ARG 178 Ca 0.60 -0.53 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2j4e h ARG 178 Cb 1.53 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 31.13 2j4e h ARG 178 CO -0.31 1.15 -0.44 0.35 -1.51 0.00 0.00 179.97 179.21 2j4e h PHE 179 N 0.35 -1.26 -1.03 2.20 3.57 -1.74 -0.37 116.94 118.66 2j4e h PHE 179 Ca -0.04 0.04 0.28 0.00 3.53 0.00 0.00 57.97 61.77 2j4e h PHE 179 Cb 1.26 0.54 -0.12 0.00 2.79 0.00 0.00 35.95 40.42 2j4e h PHE 179 CO 0.10 -0.53 0.62 0.00 -2.23 0.00 0.00 178.31 176.27 2j4e h ARG 180 N -0.65 0.45 -0.07 1.11 2.47 -1.38 0.33 114.38 116.62 2j4e h ARG 180 Ca 0.02 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2j4e h ARG 180 Cb 0.69 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2j4e h ARG 180 CO -0.28 0.29 -0.27 0.00 0.56 0.00 0.00 179.97 180.27 2j4e h ALA 181 N 1.72 0.13 0.00 0.04 0.00 -1.03 -3.15 119.26 116.96 2j4e h ALA 181 Ca 0.66 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2j4e h ALA 181 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2j4e h ALA 181 CO -0.45 0.15 0.00 -0.07 0.00 0.00 0.00 179.25 178.88 2j4e h LEU 182 N -0.17 0.00 -1.19 0.00 3.38 0.37 -1.84 115.31 115.86 2j4e h LEU 182 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2j4e h LEU 182 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2j4e h LEU 182 CO 0.06 0.00 -0.39 0.25 0.09 0.00 0.00 178.44 178.45 2j4e h LEU 183 N 0.00 0.03 0.05 1.67 5.85 -0.38 -1.59 115.31 120.94 2j4e h LEU 183 Ca 0.00 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 2j4e h LEU 183 Cb 0.45 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2j4e h LEU 183 CO 0.00 0.42 -1.53 -0.33 -0.34 0.00 0.00 178.44 176.66 2j4e h GLU 184 N 0.03 0.11 -0.66 1.25 5.08 -1.38 -2.99 114.58 116.01 2j4e h GLU 184 Ca 0.00 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2j4e h GLU 184 Cb 0.70 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2j4e h GLU 184 CO 0.05 0.87 0.19 1.25 -1.00 0.00 0.00 179.01 180.37 2j4e h LEU 185 N 0.03 0.96 -0.20 1.33 5.85 -1.37 -2.51 115.31 119.41 2j4e h LEU 185 Ca -0.23 -0.18 -0.22 0.00 0.84 0.00 0.00 57.88 58.09 2j4e h LEU 185 Cb 1.97 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.75 2j4e h LEU 185 CO 0.12 0.91 -0.87 1.56 -0.34 0.00 0.00 178.44 179.82 2j4e h GLN 186 N 0.98 0.55 -0.46 1.25 4.20 -1.41 -3.19 115.11 117.04 2j4e h GLN 186 Ca 0.21 -0.52 0.07 0.00 0.06 0.00 0.00 58.65 58.48 2j4e h GLN 186 Cb 0.31 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 2j4e h GLN 186 CO -0.00 1.14 0.10 1.49 -0.67 0.00 0.00 178.83 180.90 2j4e h GLU 187 N 0.34 0.24 -0.96 1.46 4.22 -1.41 -2.35 114.58 116.12 2j4e h GLU 187 Ca -0.07 -0.01 0.30 0.00 0.08 0.00 0.00 59.36 59.65 2j4e h GLU 187 Cb 1.49 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.52 2j4e h GLU 187 CO 0.16 0.16 0.22 -0.92 -2.18 0.00 0.00 179.01 176.45 2j4e h TYR 188 N 0.24 0.30 -0.01 0.92 3.20 -1.44 -3.52 116.97 116.67 2j4e h TYR 188 Ca 0.22 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2j4e h TYR 188 Cb 0.28 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2j4e h TYR 188 CO -0.20 -0.38 0.00 1.19 -1.64 0.00 0.00 178.16 177.13