#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k n ALA 17 N 0.00 1.02 0.11 4.37 0.00 0.49 -4.99 120.51 121.51 2j1k n ALA 17 Ca 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 53.44 51.56 2j1k n ALA 17 Cb 0.00 0.60 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 2j1k n ALA 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2j1k h ARG 18 N 0.00 0.00 -3.86 0.00 0.11 -1.96 -3.39 114.38 105.28 2j1k h ARG 18 Ca -0.26 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.72 2j1k h ARG 18 Cb 1.13 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.09 2j1k h ARG 18 CO 0.39 0.30 -0.32 -1.54 0.10 0.00 0.00 179.97 178.91 2j1k s SER 19 N -6.04 0.04 0.09 0.08 1.04 -1.26 -4.89 113.70 102.76 2j1k s SER 19 Ca 0.01 -0.82 -0.31 0.00 0.48 0.00 0.00 55.95 55.31 2j1k s SER 19 Cb 0.08 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.54 2j1k s SER 19 CO 0.77 -0.87 1.67 -0.22 0.98 0.00 0.00 173.24 175.57 2j1k s LEU 20 N -2.95 4.37 0.12 2.42 0.20 -1.26 -4.45 118.68 117.14 2j1k s LEU 20 Ca 0.15 2.55 -0.09 0.00 0.69 0.00 0.00 54.13 57.44 2j1k s LEU 20 Cb 0.03 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.22 2j1k s LEU 20 CO -0.02 -0.90 0.22 -0.94 -0.29 0.00 0.00 176.35 174.43 2j1k s SER 21 N 2.28 0.09 -0.06 3.68 1.04 -0.73 -4.54 113.70 115.47 2j1k s SER 21 Ca 0.75 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2j1k s SER 21 Cb -0.41 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2j1k s SER 21 CO 0.33 -0.80 -0.22 -0.63 0.98 0.00 0.00 173.24 172.91 2j1k s ILE 22 N -3.91 1.80 0.03 -1.02 1.01 -1.26 -0.92 121.20 116.93 2j1k s ILE 22 Ca 0.11 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2j1k s ILE 22 Cb 0.04 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2j1k s ILE 22 CO -0.06 0.51 1.22 -0.89 0.00 0.00 0.00 174.94 175.72 2j1k s THR 23 N 0.01 4.05 -0.32 2.92 2.01 -0.89 -3.87 115.64 119.55 2j1k s THR 23 Ca -0.06 1.45 -0.07 0.00 0.31 0.00 0.00 61.69 63.31 2j1k s THR 23 Cb -0.14 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2j1k s THR 23 CO 0.04 0.07 0.26 0.41 -0.69 0.00 0.00 174.62 174.71 2j1k n THR 24 N 4.18-10.37 1.11 -0.82 -1.04 -1.26 -4.73 114.28 101.35 2j1k n THR 24 Ca 0.10 1.21 0.12 0.00 -2.04 0.00 0.00 64.05 63.44 2j1k n THR 24 Cb 0.46 -6.72 0.60 0.00 -1.82 0.00 0.00 70.33 62.84 2j1k n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2j1k n PRO 25 N 0.15 0.30 -3.77 -2.82 -0.04 -1.25 -4.73 135.00 122.84 2j1k n PRO 25 Ca 0.05 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2j1k n PRO 25 Cb 0.20 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 2j1k n PRO 25 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2j1k s GLU 26 N -2.63 0.31 -0.02 0.54 2.12 -1.26 -1.85 118.70 115.91 2j1k s GLU 26 Ca 0.21 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.85 2j1k s GLU 26 Cb 0.16 0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.69 2j1k s GLU 26 CO 0.38 -0.05 0.21 -1.21 -0.54 0.00 0.00 175.26 174.04 2j1k s GLU 27 N 0.30 0.51 -0.16 4.30 2.02 -0.87 -5.02 118.70 119.78 2j1k s GLU 27 Ca -0.01 -0.21 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 2j1k s GLU 27 Cb -0.03 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 2j1k s GLU 27 CO -0.01 -0.12 -0.08 -1.64 0.02 0.00 0.00 175.26 173.42 2j1k s MET 28 N -1.11 3.47 -0.09 1.61 -1.94 -1.26 -0.52 119.30 119.46 2j1k s MET 28 Ca -0.12 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 2j1k s MET 28 Cb -0.06 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.98 2j1k s MET 28 CO 0.02 0.12 -0.21 0.42 -0.01 0.00 0.00 175.02 175.36 2j1k s ILE 29 N 0.62 1.84 -0.15 2.53 1.01 -0.35 -4.95 121.20 121.75 2j1k s ILE 29 Ca -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2j1k s ILE 29 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.74 2j1k s ILE 29 CO 0.03 0.51 -0.21 -0.70 0.00 0.00 0.00 174.94 174.57 2j1k s GLU 30 N 0.34 2.91 0.27 2.79 2.12 -1.26 -1.15 118.70 124.71 2j1k s GLU 30 Ca -0.16 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2j1k s GLU 30 Cb -0.17 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2j1k s GLU 30 CO 0.07 -0.08 0.13 0.15 -0.54 0.00 0.00 175.26 174.99 2j1k s LYS 31 N 0.98 1.44 0.16 4.30 -0.14 -0.70 -5.00 119.74 120.78 2j1k s LYS 31 Ca -0.03 -1.80 0.04 0.00 -1.36 0.00 0.00 55.97 52.82 2j1k s LYS 31 Cb -0.15 -0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 35.86 2j1k s LYS 31 CO -0.05 -0.37 0.20 0.00 -0.76 0.00 0.00 175.35 174.36 2j1k s ALA 32 N -3.77 3.73 0.03 5.17 0.00 -1.26 -1.55 121.76 124.11 2j1k s ALA 32 Ca 0.37 -1.15 -0.36 0.00 0.00 0.00 0.00 51.96 50.83 2j1k s ALA 32 Cb 0.07 -1.53 -0.15 0.00 0.00 0.00 0.00 23.12 21.51 2j1k s ALA 32 CO 0.15 0.51 1.56 1.17 0.00 0.00 0.00 175.76 179.15 2j1k n LYS 33 N -0.44 1.65 0.00 0.00 0.00 -1.09 -2.01 118.16 116.28 2j1k n LYS 33 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 58.31 58.83 2j1k n LYS 33 Cb 0.54 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.25 2j1k n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j1k n GLY 34 N 3.36 3.28 3.75 3.14 0.00 0.45 -4.92 105.19 114.24 2j1k n GLY 34 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2j1k n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j1k s GLU 35 N -0.58 0.82 -0.15 1.61 2.02 -0.85 -3.87 118.70 117.71 2j1k s GLU 35 Ca 0.00 0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.28 2j1k s GLU 35 Cb 0.00 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 2j1k s GLU 35 CO 0.00 -2.42 -0.03 0.95 0.02 0.00 0.00 175.26 173.78 2j1k s THR 36 N -3.18 3.98 -0.22 3.63 -4.23 -1.26 -0.71 115.64 113.65 2j1k s THR 36 Ca 0.65 -0.33 -0.19 0.00 -1.18 0.00 0.00 61.69 60.63 2j1k s THR 36 Cb -0.16 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2j1k s THR 36 CO 0.55 0.51 0.55 0.00 -0.54 0.00 0.00 174.62 175.69 2j1k s ALA 37 N 0.17 3.56 -0.30 3.99 0.00 -0.45 -4.90 121.76 123.84 2j1k s ALA 37 Ca -0.01 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 2j1k s ALA 37 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 2j1k s ALA 37 CO 0.03 -0.58 0.70 -0.47 0.00 0.00 0.00 175.76 175.44 2j1k s TYR 38 N 1.95 3.22 -0.50 0.00 5.04 -1.26 -1.41 117.35 124.38 2j1k s TYR 38 Ca 0.25 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.51 2j1k s TYR 38 Cb -0.16 -3.07 0.13 0.00 0.35 0.00 0.00 41.96 39.22 2j1k s TYR 38 CO 0.09 -0.50 0.35 -0.51 -1.34 0.00 0.00 175.55 173.65 2j1k s LEU 39 N 2.74 5.58 0.28 6.97 1.43 -0.22 -5.02 118.68 130.45 2j1k s LEU 39 Ca 0.28 -2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 50.96 2j1k s LEU 39 Cb -0.15 -1.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.02 2j1k s LEU 39 CO 0.12 -0.60 1.15 -2.84 0.23 0.00 0.00 176.35 174.40 2j1k s PRO 40 N 1.02 4.57 -0.47 1.29 0.02 -1.26 -2.52 135.00 137.66 2j1k s PRO 40 Ca 0.09 1.89 0.06 0.00 0.02 0.00 0.00 61.00 63.06 2j1k s PRO 40 Cb -0.24 -3.17 0.19 0.00 0.02 0.00 0.00 34.50 31.31 2j1k s PRO 40 CO -0.03 0.11 0.59 0.00 -0.33 0.00 0.00 177.00 177.34 2j1k s LYS 42 N 0.41 3.90 0.11 0.00 1.02 -1.26 -0.09 119.74 123.83 2j1k s LYS 42 Ca 0.32 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.35 2j1k s LYS 42 Cb 0.05 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2j1k s LYS 42 CO -0.13 0.51 -0.13 -0.59 -0.92 0.00 0.00 175.35 174.09 2j1k s PHE 43 N -0.31 1.30 -0.08 3.18 -0.12 0.79 -2.09 117.98 120.65 2j1k s PHE 43 Ca 0.15 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.53 2j1k s PHE 43 Cb -0.13 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 2j1k s PHE 43 CO 0.04 0.10 -0.24 0.99 -0.05 0.00 0.00 175.22 176.05 2j1k s THR 44 N -2.02 2.06 0.55 -4.49 2.01 -0.10 -4.54 115.64 109.11 2j1k s THR 44 Ca 0.06 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 2j1k s THR 44 Cb -0.06 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.70 2j1k s THR 44 CO 0.02 0.57 0.84 -0.76 -0.69 0.00 0.00 174.62 174.60 2j1k s LEU 45 N 0.07 3.36 0.35 4.42 1.43 -1.26 -1.77 118.68 125.29 2j1k s LEU 45 Ca -0.11 0.63 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 2j1k s LEU 45 Cb -0.16 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2j1k s LEU 45 CO 0.06 -0.94 0.02 -0.94 0.23 0.00 0.00 176.35 174.78 2j1k s SER 46 N -4.27 4.14 0.47 2.29 1.04 -1.26 -0.38 113.70 115.75 2j1k s SER 46 Ca 0.52 -1.05 0.16 0.00 0.48 0.00 0.00 55.95 56.06 2j1k s SER 46 Cb -0.10 -0.50 1.15 0.00 0.10 0.00 0.00 66.02 66.67 2j1k s SER 46 CO 0.43 -0.28 2.04 -0.65 0.98 0.00 0.00 173.24 175.76 2j1k h PRO 47 N 1.78 0.22 0.00 4.02 0.11 -1.90 -2.45 132.00 133.79 2j1k h PRO 47 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2j1k h PRO 47 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2j1k h PRO 47 CO 0.68 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.67 2j1k h GLU 48 N 0.23 0.00 -5.75 1.05 4.11 -1.94 -3.41 114.58 108.87 2j1k h GLU 48 Ca 0.18 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.10 2j1k h GLU 48 Cb 0.42 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2j1k h GLU 48 CO -0.03 0.00 1.58 -0.51 0.07 0.00 0.00 179.01 180.12 2j1k s ASP 49 N -4.67 6.02 0.00 3.06 1.01 -0.92 -4.20 116.67 116.97 2j1k s ASP 49 Ca 0.07 -1.86 0.20 0.00 0.71 0.00 0.00 52.55 51.68 2j1k s ASP 49 Cb 0.10 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 2j1k s ASP 49 CO 0.53 -2.01 1.00 0.00 0.21 0.00 0.00 175.17 174.90 2j1k n GLN 50 N 8.48 1.30 -1.64 8.23 1.13 -0.35 -4.83 117.38 129.70 2j1k n GLN 50 Ca 0.44 -0.86 -0.30 0.00 -1.94 0.00 0.00 57.00 54.34 2j1k n GLN 50 Cb 0.47 -1.42 0.19 0.00 0.11 0.00 0.00 30.24 29.60 2j1k n GLN 50 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2j1k s GLY 51 N -2.34 1.70 0.34 1.08 0.00 0.38 -4.91 107.32 103.56 2j1k s GLY 51 Ca 0.16 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.56 2j1k s GLY 51 CO 0.54 -0.27 1.17 2.56 0.00 0.00 0.00 173.10 177.10 2j1k s PRO 52 N -5.68 4.34 0.09 2.90 0.04 -1.26 -4.46 135.00 130.98 2j1k s PRO 52 Ca 0.72 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 2j1k s PRO 52 Cb -0.07 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.46 2j1k s PRO 52 CO 0.54 -0.08 1.43 -1.17 0.04 0.00 0.00 177.00 177.75 2j1k s LEU 53 N -1.97 4.36 -0.33 -3.56 2.96 -1.26 -4.32 118.68 114.56 2j1k s LEU 53 Ca 0.51 2.32 0.02 0.00 -0.22 0.00 0.00 54.13 56.76 2j1k s LEU 53 Cb -0.32 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 42.93 2j1k s LEU 53 CO 0.42 -0.70 0.35 -0.62 -1.32 0.00 0.00 176.35 174.48 2j1k s ASP 54 N 1.35 1.26 0.03 3.68 2.15 -0.24 -4.31 116.67 120.60 2j1k s ASP 54 Ca 0.66 -1.13 0.07 0.00 0.43 0.00 0.00 52.55 52.57 2j1k s ASP 54 Cb -0.37 0.61 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 2j1k s ASP 54 CO 0.30 -0.32 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.15 2j1k s ILE 55 N 1.91 2.61 -0.05 4.11 -1.09 0.26 -1.22 121.20 127.72 2j1k s ILE 55 Ca 0.13 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 57.21 2j1k s ILE 55 Cb -0.14 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.70 2j1k s ILE 55 CO -0.18 0.38 0.33 -1.83 -1.23 0.00 0.00 174.94 172.41 2j1k s GLU 56 N -1.28 0.61 -0.09 2.79 -1.05 -0.75 -0.30 118.70 118.63 2j1k s GLU 56 Ca 0.13 -0.01 -0.01 0.00 -0.15 0.00 0.00 54.97 54.94 2j1k s GLU 56 Cb -0.10 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 2j1k s GLU 56 CO 0.04 -0.15 -0.05 -1.58 0.95 0.00 0.00 175.26 174.47 2j1k s TRP 57 N -0.93 3.00 0.15 4.83 0.52 -0.32 -0.67 118.94 125.52 2j1k s TRP 57 Ca -0.10 -0.02 0.09 0.00 0.02 0.00 0.00 56.10 56.09 2j1k s TRP 57 Cb -0.04 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2j1k s TRP 57 CO 0.03 0.28 -0.19 -0.51 0.02 0.00 0.00 176.95 176.58 2j1k s LEU 58 N -0.56 2.41 -0.06 2.99 1.02 -0.13 -0.82 118.68 123.53 2j1k s LEU 58 Ca 0.09 -0.82 0.05 0.00 0.02 0.00 0.00 54.13 53.46 2j1k s LEU 58 Cb -0.12 -0.86 -0.00 0.00 0.02 0.00 0.00 46.19 45.23 2j1k s LEU 58 CO 0.02 -0.00 -0.20 -0.51 0.02 0.00 0.00 176.35 175.68 2j1k s ILE 59 N -1.83 1.68 -0.53 -0.59 1.10 0.72 -0.52 121.20 121.23 2j1k s ILE 59 Ca 0.14 -0.84 0.03 0.00 -0.51 0.00 0.00 60.65 59.47 2j1k s ILE 59 Cb -0.07 -1.44 0.13 0.00 0.15 0.00 0.00 42.46 41.24 2j1k s ILE 59 CO 0.06 0.47 0.28 -0.44 -2.11 0.00 0.00 174.94 173.21 2j1k s SER 60 N 0.08 4.54 0.26 4.50 0.01 0.06 -1.33 113.70 121.82 2j1k s SER 60 Ca -0.07 -2.91 -0.29 0.00 1.31 0.00 0.00 55.95 53.99 2j1k s SER 60 Cb -0.13 -1.68 -0.09 0.00 0.21 0.00 0.00 66.02 64.32 2j1k s SER 60 CO 0.04 -0.27 0.96 -2.16 0.41 0.00 0.00 173.24 172.22 2j1k s PRO 61 N -0.15 4.79 0.43 12.44 0.04 -1.26 -2.08 135.00 149.21 2j1k s PRO 61 Ca 0.16 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.84 2j1k s PRO 61 Cb -0.24 -3.21 0.92 0.00 0.04 0.00 0.00 34.50 32.01 2j1k s PRO 61 CO -0.01 0.45 1.97 0.00 0.04 0.00 0.00 177.00 179.44 2j1k h ALA 62 N 3.99 1.63 -0.95 8.56 0.00 -1.78 -3.23 119.26 127.48 2j1k h ALA 62 Ca -0.45 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.42 2j1k h ALA 62 Cb 1.20 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 2j1k h ALA 62 CO 0.67 0.27 -0.42 0.22 0.00 0.00 0.00 179.25 180.00 2j1k h ASP 63 N 0.09 -1.53 -4.84 0.00 3.58 -1.82 -3.44 116.42 108.45 2j1k h ASP 63 Ca 0.02 0.31 -0.37 0.00 0.42 0.00 0.00 57.03 57.40 2j1k h ASP 63 Cb 0.33 0.77 -0.14 0.00 1.72 0.00 0.00 39.33 42.01 2j1k h ASP 63 CO 0.02 -0.28 -0.58 0.54 -2.88 0.00 0.00 179.24 176.06 2j1k s ASN 64 N -5.36 1.23 0.55 2.28 2.20 -1.22 -5.06 114.94 109.55 2j1k s ASN 64 Ca -0.14 -1.49 0.34 0.00 -0.94 0.00 0.00 52.86 50.63 2j1k s ASN 64 Cb 0.18 0.33 1.38 0.00 -2.00 0.00 0.00 41.25 41.14 2j1k s ASN 64 CO 0.70 -0.84 1.99 1.56 -2.94 0.00 0.00 177.10 177.56 2j1k h GLN 65 N 2.32 0.00 -6.97 3.55 1.08 -1.86 -3.42 115.11 109.81 2j1k h GLN 65 Ca -0.35 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.32 2j1k h GLN 65 Cb 1.25 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.78 2j1k h GLN 65 CO 0.54 0.00 0.65 0.15 -0.95 0.00 0.00 178.83 179.22 2j1k s LYS 66 N -3.67 3.81 0.15 1.46 1.02 -1.26 -5.04 119.74 116.21 2j1k s LYS 66 Ca 0.01 2.28 0.08 0.00 0.02 0.00 0.00 55.97 58.36 2j1k s LYS 66 Cb 0.09 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 2j1k s LYS 66 CO 0.54 -0.67 -0.18 0.54 -0.92 0.00 0.00 175.35 174.66 2j1k s VAL 67 N -1.24 1.74 -1.28 3.17 0.11 -1.26 -4.12 120.40 117.52 2j1k s VAL 67 Ca 0.59 -1.81 -0.09 0.00 -2.93 0.00 0.00 61.98 57.75 2j1k s VAL 67 Cb -0.41 -1.74 -0.00 0.00 -1.53 0.00 0.00 36.38 32.70 2j1k s VAL 67 CO 0.52 -0.27 0.61 0.47 -3.33 0.00 0.00 175.10 173.11 2j1k n ASP 68 N 0.50 -2.46 -4.59 3.54 8.00 -1.18 -4.92 116.55 115.44 2j1k n ASP 68 Ca -0.15 -0.98 -0.39 0.00 0.71 0.00 0.00 54.79 53.98 2j1k n ASP 68 Cb 0.56 -3.35 -0.09 0.00 -0.02 0.00 0.00 41.12 38.22 2j1k n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2j1k s GLN 69 N -6.23 3.93 0.26 -1.24 -1.52 -0.44 -4.83 119.66 109.59 2j1k s GLN 69 Ca 0.19 -0.07 -0.31 0.00 -1.95 0.00 0.00 55.36 53.22 2j1k s GLN 69 Cb -0.07 -3.68 -0.12 0.00 -0.22 0.00 0.00 33.01 28.92 2j1k s GLN 69 CO 0.86 -0.32 1.64 1.55 -0.25 0.00 0.00 175.29 178.78 2j1k n VAL 70 N 5.14 0.68 -0.04 1.09 3.14 -1.26 -0.20 118.33 126.87 2j1k n VAL 70 Ca -0.09 -0.17 -0.05 0.00 -2.96 0.00 0.00 64.34 61.07 2j1k n VAL 70 Cb 0.51 -1.96 -0.05 0.00 -1.06 0.00 0.00 33.84 31.28 2j1k n VAL 70 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2j1k n ILE 71 N 2.75 0.51 -3.51 1.55 -5.35 0.00 -3.64 119.36 111.68 2j1k n ILE 71 Ca 0.11 -0.26 -0.16 0.00 -0.27 0.00 0.00 62.75 62.16 2j1k n ILE 71 Cb 0.36 -0.82 -0.05 0.00 -1.74 0.00 0.00 39.64 37.39 2j1k n ILE 71 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2j1k s ILE 72 N -2.18 0.00 0.11 7.28 2.07 -1.22 -4.43 121.20 122.83 2j1k s ILE 72 Ca -0.07 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.07 2j1k s ILE 72 Cb 0.03 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.62 2j1k s ILE 72 CO 0.26 0.00 0.24 -1.48 -1.91 0.00 0.00 174.94 172.05 2j1k s LEU 73 N -1.45 1.19 -0.11 8.50 0.05 -0.46 -1.17 118.68 125.24 2j1k s LEU 73 Ca -0.08 -0.65 -0.01 0.00 0.05 0.00 0.00 54.13 53.43 2j1k s LEU 73 Cb -0.00 1.18 0.03 0.00 -2.05 0.00 0.00 46.19 45.35 2j1k s LEU 73 CO 0.05 -0.78 -0.02 -0.47 -0.55 0.00 0.00 176.35 174.59 2j1k s TYR 74 N -3.88 1.02 0.03 3.48 5.04 0.59 -1.47 117.35 122.16 2j1k s TYR 74 Ca 0.07 -0.49 -0.19 0.00 -2.44 0.00 0.00 57.07 54.03 2j1k s TYR 74 Cb 0.04 -0.99 0.04 0.00 0.35 0.00 0.00 41.96 41.40 2j1k s TYR 74 CO -0.09 -0.44 0.43 -1.54 -1.34 0.00 0.00 175.55 172.57 2j1k s SER 75 N 1.86 -0.31 -1.47 4.32 1.04 -0.85 -0.58 113.70 117.71 2j1k s SER 75 Ca 0.04 0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2j1k s SER 75 Cb -0.13 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2j1k s SER 75 CO -0.07 -0.63 0.31 0.61 0.98 0.00 0.00 173.24 174.44 2j1k n GLY 76 N 0.66 -0.51 2.41 7.32 0.00 -1.26 -1.20 105.19 112.61 2j1k n GLY 76 Ca -0.19 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2j1k n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j1k n ASP 77 N -2.21 -5.84 -4.16 1.61 8.00 -1.26 -5.00 116.55 107.69 2j1k n ASP 77 Ca -0.14 0.01 -0.19 0.00 0.71 0.00 0.00 54.79 55.18 2j1k n ASP 77 Cb 0.62 -4.87 -0.12 0.00 -0.02 0.00 0.00 41.12 36.73 2j1k n ASP 77 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2j1k s LYS 78 N -5.01 0.84 -0.13 -1.24 1.02 -0.34 -5.14 119.74 109.74 2j1k s LYS 78 Ca 0.00 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.01 2j1k s LYS 78 Cb 0.00 -0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 2j1k s LYS 78 CO 0.00 0.19 0.21 0.42 -0.92 0.00 0.00 175.35 175.25 2j1k s ILE 79 N -1.13 5.37 -0.09 2.17 1.01 -1.26 -2.01 121.20 125.27 2j1k s ILE 79 Ca -0.01 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2j1k s ILE 79 Cb -0.09 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2j1k s ILE 79 CO 0.02 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.03 2j1k s TYR 80 N -0.36 1.75 -0.01 3.97 2.02 -0.55 -5.01 117.35 119.17 2j1k s TYR 80 Ca 0.15 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2j1k s TYR 80 Cb -0.13 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2j1k s TYR 80 CO 0.04 -0.40 0.73 -0.40 -1.57 0.00 0.00 175.55 173.95 2j1k n ASP 81 N 4.09 0.64 -3.63 2.29 5.75 -1.26 -1.35 116.55 123.08 2j1k n ASP 81 Ca -0.20 -1.51 -0.40 0.00 -0.01 0.00 0.00 54.79 52.68 2j1k n ASP 81 Cb 0.51 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.56 2j1k n ASP 81 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2j1k n ASP 82 N -0.21 6.88 0.00 -1.12 2.03 -1.26 -4.63 116.55 118.24 2j1k n ASP 82 Ca 0.01 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.68 2j1k n ASP 82 Cb 0.47 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 2j1k n ASP 82 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2j1k n TYR 83 N 0.16 0.00 -3.66 -0.67 4.01 -1.26 -4.99 117.16 110.75 2j1k n TYR 83 Ca 0.42 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.77 2j1k n TYR 83 Cb 0.29 0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 2j1k n TYR 83 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2j1k s TYR 84 N -1.86 3.47 0.29 -0.72 5.04 -1.24 -4.95 117.35 117.38 2j1k s TYR 84 Ca 0.00 -2.02 0.04 0.00 -2.44 0.00 0.00 57.07 52.65 2j1k s TYR 84 Cb 0.00 -3.24 0.67 0.00 0.35 0.00 0.00 41.96 39.73 2j1k s TYR 84 CO 0.00 -0.95 1.78 -1.35 -1.34 0.00 0.00 175.55 173.69 2j1k h PRO 85 N 8.27 0.75 0.00 4.97 0.11 -1.94 -1.27 132.00 142.90 2j1k h PRO 85 Ca -0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2j1k h PRO 85 Cb 1.06 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2j1k h PRO 85 CO 0.77 0.50 0.00 -0.25 -0.21 0.00 0.00 178.00 178.80 2j1k n ASP 86 N -4.77 0.19 -0.32 -2.05 9.92 -1.26 -2.12 116.55 116.14 2j1k n ASP 86 Ca 0.21 0.56 0.03 0.00 -0.53 0.00 0.00 54.79 55.06 2j1k n ASP 86 Cb 0.51 -0.59 0.07 0.00 -0.64 0.00 0.00 41.12 40.47 2j1k n ASP 86 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2j1k n LEU 87 N -1.72 2.39 -4.69 0.64 4.77 -0.49 -5.00 117.00 112.91 2j1k n LEU 87 Ca 0.02 -1.92 -0.51 0.00 -0.03 0.00 0.00 56.01 53.57 2j1k n LEU 87 Cb 0.13 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2j1k n LEU 87 CO 0.11 0.59 1.40 1.17 -1.33 0.00 0.00 177.39 179.33 2j1k n LYS 88 N 0.04 1.83 -0.47 3.23 3.00 -0.90 -0.86 118.16 124.02 2j1k n LYS 88 Ca 0.06 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 2j1k n LYS 88 Cb 0.32 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 32.90 2j1k n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j1k n GLY 89 N 4.20 1.55 0.00 3.14 0.00 -1.26 -4.87 105.19 107.95 2j1k n GLY 89 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2j1k n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j1k n ARG 90 N -2.00 1.87 -4.64 1.61 1.74 -0.04 -4.97 116.66 110.22 2j1k n ARG 90 Ca 0.00 -1.20 -0.24 0.00 -0.77 0.00 0.00 57.85 55.65 2j1k n ARG 90 Cb 0.00 -0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 2j1k n ARG 90 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2j1k s VAL 91 N -0.70 1.15 0.00 1.55 1.01 -1.21 -0.77 120.40 121.44 2j1k s VAL 91 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2j1k s VAL 91 Cb 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.42 2j1k s VAL 91 CO 0.00 0.34 0.45 -1.38 0.00 0.00 0.00 175.10 174.51 2j1k s HIS 92 N 0.17 -0.34 0.34 5.22 -3.43 -0.94 -5.00 115.29 111.31 2j1k s HIS 92 Ca -0.05 0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 54.39 2j1k s HIS 92 Cb -0.11 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 31.17 2j1k s HIS 92 CO 0.02 -0.53 1.33 -0.06 -2.00 0.00 0.00 174.74 173.50 2j1k s PHE 93 N -1.81 2.99 -0.13 0.38 0.08 -1.26 -0.84 117.98 117.39 2j1k s PHE 93 Ca -0.09 1.39 0.22 0.00 0.12 0.00 0.00 56.93 58.56 2j1k s PHE 93 Cb -0.02 -3.72 -0.19 0.00 -0.57 0.00 0.00 43.02 38.52 2j1k s PHE 93 CO 0.03 -1.99 0.71 0.25 -0.10 0.00 0.00 175.22 174.11 2j1k n THR 94 N 0.75 0.42 -3.00 0.64 -2.24 -0.81 -4.85 114.28 105.18 2j1k n THR 94 Ca 0.00 -0.55 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 2j1k n THR 94 Cb 0.41 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2j1k n THR 94 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2j1k s SER 95 N -5.01 6.93 0.02 3.42 0.15 -1.26 -4.99 113.70 112.96 2j1k s SER 95 Ca -0.05 1.48 0.21 0.00 0.70 0.00 0.00 55.95 58.29 2j1k s SER 95 Cb 0.11 -2.45 -0.22 0.00 -1.71 0.00 0.00 66.02 61.75 2j1k s SER 95 CO 0.85 -0.19 0.61 -0.46 1.20 0.00 0.00 173.24 175.25 2j1k n ASN 96 N -0.16 0.32 -3.69 5.45 6.94 -1.26 -4.44 115.26 118.42 2j1k n ASN 96 Ca 0.03 0.13 -0.27 0.00 -0.02 0.00 0.00 54.58 54.45 2j1k n ASN 96 Cb 0.53 1.26 -0.10 0.00 -2.36 0.00 0.00 39.78 39.10 2j1k n ASN 96 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2j1k n ASP 97 N -2.50 2.97 -0.29 0.53 2.03 -1.26 -4.95 116.55 113.08 2j1k n ASP 97 Ca -0.07 -3.22 -0.02 0.00 0.52 0.00 0.00 54.79 51.99 2j1k n ASP 97 Cb 0.67 -0.71 0.16 0.00 -0.72 0.00 0.00 41.12 40.52 2j1k n ASP 97 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2j1k h LEU 98 N 4.95 1.02 -0.46 -2.67 6.46 -1.80 -2.74 115.31 120.07 2j1k h LEU 98 Ca 0.17 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2j1k h LEU 98 Cb 0.73 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2j1k h LEU 98 CO 0.73 0.78 0.00 2.29 -0.62 0.00 0.00 178.44 181.62 2j1k n LYS 99 N -4.37 0.16 -0.10 1.25 2.85 -1.26 -2.23 118.16 114.46 2j1k n LYS 99 Ca 0.09 0.35 0.07 0.00 -1.05 0.00 0.00 58.31 57.77 2j1k n LYS 99 Cb 0.07 -1.78 0.24 0.00 -0.65 0.00 0.00 35.03 32.90 2j1k n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2j1k n SER 100 N -2.09 1.28 0.00 -5.58 3.41 -1.03 -4.87 113.62 104.74 2j1k n SER 100 Ca 0.03 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 2j1k n SER 100 Cb 0.25 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2j1k n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j1k n GLY 101 N 0.95 1.36 2.91 5.00 0.00 -0.95 -5.00 105.19 109.47 2j1k n GLY 101 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2j1k n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j1k s ASP 102 N -1.67 4.36 -0.19 1.61 2.15 -0.97 -0.15 116.67 121.81 2j1k s ASP 102 Ca 0.00 -2.43 0.12 0.00 0.43 0.00 0.00 52.55 50.67 2j1k s ASP 102 Cb 0.00 -1.44 0.68 0.00 -0.30 0.00 0.00 42.92 41.86 2j1k s ASP 102 CO 0.00 -0.32 1.54 0.00 -0.17 0.00 0.00 175.17 176.21 2j1k n ALA 103 N 3.86 3.64 -1.77 3.66 0.00 0.87 -4.53 120.51 126.25 2j1k n ALA 103 Ca 0.04 -1.58 -0.36 0.00 0.00 0.00 0.00 53.44 51.54 2j1k n ALA 103 Cb 0.38 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.73 2j1k n ALA 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2j1k s SER 104 N -0.65 5.61 0.16 0.00 0.01 -1.19 -4.57 113.70 113.07 2j1k s SER 104 Ca 0.45 2.29 0.06 0.00 1.31 0.00 0.00 55.95 60.06 2j1k s SER 104 Cb 0.34 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2j1k s SER 104 CO 0.13 -1.30 -0.12 0.27 0.41 0.00 0.00 173.24 172.63 2j1k s ILE 105 N -1.65 1.36 -0.01 1.44 -4.36 -1.05 -1.92 121.20 115.00 2j1k s ILE 105 Ca 0.73 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 2j1k s ILE 105 Cb -0.27 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2j1k s ILE 105 CO 0.31 -0.63 0.09 0.20 0.24 0.00 0.00 174.94 175.16 2j1k s ASN 106 N -3.03 5.79 -0.33 4.36 0.01 -0.02 -1.05 114.94 120.66 2j1k s ASN 106 Ca 0.16 0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.53 2j1k s ASN 106 Cb -0.00 -1.69 0.09 0.00 0.41 0.00 0.00 41.25 40.06 2j1k s ASN 106 CO 0.03 0.28 0.04 -0.69 -1.51 0.00 0.00 177.10 175.25 2j1k s VAL 107 N -1.19 2.37 0.47 1.60 1.01 -0.50 -2.22 120.40 121.93 2j1k s VAL 107 Ca 0.23 -2.18 -0.13 0.00 0.00 0.00 0.00 61.98 59.90 2j1k s VAL 107 Cb -0.12 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 2j1k s VAL 107 CO 0.14 -0.50 0.88 0.42 0.00 0.00 0.00 175.10 176.03 2j1k s THR 108 N 0.96 4.68 -1.23 3.92 -4.23 0.05 -1.34 115.64 118.45 2j1k s THR 108 Ca 0.07 0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2j1k s THR 108 Cb -0.20 -3.74 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 2j1k s THR 108 CO -0.07 -0.65 0.90 -3.20 -0.54 0.00 0.00 174.62 171.06 2j1k n ASN 109 N -1.56 -1.77 -4.63 3.99 5.15 -1.12 -4.86 115.26 110.46 2j1k n ASN 109 Ca 0.04 -0.69 -0.45 0.00 -0.60 0.00 0.00 54.58 52.88 2j1k n ASN 109 Cb 0.54 -4.77 -0.02 0.00 -0.53 0.00 0.00 39.78 35.00 2j1k n ASN 109 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2j1k n LEU 110 N -4.17 2.47 -4.65 1.20 4.77 0.11 -4.55 117.00 112.18 2j1k n LEU 110 Ca -0.29 1.17 -0.26 0.00 -0.03 0.00 0.00 56.01 56.59 2j1k n LEU 110 Cb 0.67 -1.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2j1k n LEU 110 CO 0.63 -0.92 -0.27 -1.10 -1.33 0.00 0.00 177.39 174.41 2j1k s GLN 111 N -1.00 2.06 0.45 3.23 -1.52 -1.26 -0.41 119.66 121.20 2j1k s GLN 111 Ca 0.64 -1.91 0.25 0.00 -1.95 0.00 0.00 55.36 52.39 2j1k s GLN 111 Cb -0.69 -1.83 0.98 0.00 -0.22 0.00 0.00 33.01 31.25 2j1k s GLN 111 CO 0.55 0.01 1.85 -0.07 -0.25 0.00 0.00 175.29 177.38 2j1k h LEU 112 N 1.71 0.00 -1.60 2.90 3.38 -1.95 -2.51 115.31 117.24 2j1k h LEU 112 Ca -0.43 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.65 2j1k h LEU 112 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2j1k h LEU 112 CO 0.72 0.21 0.45 -1.28 0.09 0.00 0.00 178.44 178.63 2j1k h SER 113 N 0.00 0.39 0.00 -0.43 0.87 -1.95 -3.10 113.55 109.33 2j1k h SER 113 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2j1k h SER 113 Cb 0.71 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2j1k h SER 113 CO 0.03 0.23 0.00 0.47 -0.53 0.00 0.00 176.83 177.02 2j1k n ASP 114 N -4.47 0.00 -4.71 6.23 8.00 -0.95 -4.63 116.55 116.02 2j1k n ASP 114 Ca 0.12 -1.42 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 2j1k n ASP 114 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2j1k n ASP 114 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2j1k s ILE 115 N -2.00 3.08 -3.66 0.53 1.01 -1.17 -4.88 121.20 114.12 2j1k s ILE 115 Ca 0.22 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2j1k s ILE 115 Cb 0.10 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2j1k s ILE 115 CO 0.17 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2j1k n GLY 116 N 3.61 -1.51 3.68 6.18 0.00 -1.03 -2.27 105.19 113.85 2j1k n GLY 116 Ca 0.13 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2j1k n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j1k s THR 117 N -2.85 5.38 -0.16 2.61 2.01 -0.89 -0.65 115.64 121.08 2j1k s THR 117 Ca 0.00 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 2j1k s THR 117 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2j1k s THR 117 CO 0.00 0.37 0.03 -0.31 -0.69 0.00 0.00 174.62 174.02 2j1k s TYR 118 N 0.84 3.18 -0.14 4.92 2.02 0.91 -0.76 117.35 128.33 2j1k s TYR 118 Ca 0.08 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2j1k s TYR 118 Cb -0.13 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2j1k s TYR 118 CO 0.02 0.16 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.86 2j1k s GLN 119 N 0.15 3.24 -0.35 -0.62 0.74 0.32 -0.02 119.66 123.12 2j1k s GLN 119 Ca 0.03 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.55 2j1k s GLN 119 Cb -0.13 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.40 2j1k s GLN 119 CO 0.01 0.10 0.25 0.00 -0.55 0.00 0.00 175.29 175.10 2j1k s LYS 121 N 1.73 3.42 -0.23 0.00 1.02 0.15 -0.62 119.74 125.22 2j1k s LYS 121 Ca 0.06 -0.64 -0.06 0.00 0.02 0.00 0.00 55.97 55.35 2j1k s LYS 121 Cb -0.17 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2j1k s LYS 121 CO 0.11 -0.33 0.02 0.08 -0.92 0.00 0.00 175.35 174.31 2j1k s VAL 122 N 1.59 3.96 -0.11 3.17 1.01 0.28 -1.80 120.40 128.50 2j1k s VAL 122 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2j1k s VAL 122 Cb -0.16 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2j1k s VAL 122 CO 0.04 0.39 -0.14 -0.54 0.00 0.00 0.00 175.10 174.85 2j1k s LYS 123 N 1.37 3.18 -0.32 2.72 1.02 -0.36 -0.95 119.74 126.40 2j1k s LYS 123 Ca 0.05 -0.70 -0.00 0.00 0.02 0.00 0.00 55.97 55.34 2j1k s LYS 123 Cb -0.15 -2.56 0.14 0.00 -0.52 0.00 0.00 37.83 34.74 2j1k s LYS 123 CO 0.01 0.30 0.27 0.21 -0.92 0.00 0.00 175.35 175.22 2j1k s LYS 124 N 0.13 0.43 0.23 1.68 2.20 -0.57 -1.08 119.74 122.76 2j1k s LYS 124 Ca -0.07 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.58 2j1k s LYS 124 Cb -0.15 -0.90 -0.14 0.00 -1.51 0.00 0.00 37.83 35.13 2j1k s LYS 124 CO 0.05 -1.11 1.31 0.00 -0.36 0.00 0.00 175.35 175.24 2j1k n ALA 125 N 4.75 0.55 1.84 3.13 0.00 -1.26 -0.73 120.51 128.79 2j1k n ALA 125 Ca 0.04 0.42 0.16 0.00 0.00 0.00 0.00 53.44 54.05 2j1k n ALA 125 Cb 0.43 -2.19 0.90 0.00 0.00 0.00 0.00 19.45 18.59 2j1k n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2j1k n PRO 126 N 1.81 0.84 -2.20 0.00 -0.04 -1.26 -0.47 135.00 133.68 2j1k n PRO 126 Ca 0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 2j1k n PRO 126 Cb 0.30 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2j1k n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2j1k s GLY 127 N -2.15 3.00 -0.12 0.55 0.00 0.09 -5.04 107.32 103.65 2j1k s GLY 127 Ca 0.43 1.17 -0.06 0.00 0.00 0.00 0.00 44.72 46.25 2j1k s GLY 127 CO 0.39 1.79 0.28 -1.34 0.00 0.00 0.00 173.10 174.23 2j1k s VAL 128 N -1.17 -0.04 0.02 1.40 -7.23 -1.26 -1.51 120.40 110.62 2j1k s VAL 128 Ca 0.49 0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2j1k s VAL 128 Cb -0.37 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2j1k s VAL 128 CO 0.49 0.05 -0.07 0.00 -0.31 0.00 0.00 175.10 175.26 2j1k s ALA 129 N 1.26 0.57 0.01 1.32 0.00 -0.12 -4.87 121.76 119.93 2j1k s ALA 129 Ca -0.09 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2j1k s ALA 129 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2j1k s ALA 129 CO -0.09 0.05 -0.11 0.54 0.00 0.00 0.00 175.76 176.14 2j1k s ASN 130 N -0.99 1.33 -0.03 0.00 4.22 -1.26 -0.55 114.94 117.65 2j1k s ASN 130 Ca -0.04 -0.29 0.04 0.00 -2.14 0.00 0.00 52.86 50.42 2j1k s ASN 130 Cb -0.07 -0.12 -0.00 0.00 1.28 0.00 0.00 41.25 42.34 2j1k s ASN 130 CO 0.00 0.08 -0.15 -0.75 -2.04 0.00 0.00 177.10 174.24 2j1k s LYS 131 N -0.60 1.50 -0.14 3.55 2.20 0.21 -4.88 119.74 121.59 2j1k s LYS 131 Ca 0.02 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2j1k s LYS 131 Cb -0.06 -1.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 2j1k s LYS 131 CO 0.00 0.25 -0.02 0.15 -0.36 0.00 0.00 175.35 175.37 2j1k s LYS 132 N -0.04 3.49 -0.14 4.03 1.02 -0.77 -0.74 119.74 126.58 2j1k s LYS 132 Ca -0.01 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2j1k s LYS 132 Cb -0.10 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2j1k s LYS 132 CO 0.01 0.38 -0.17 0.42 -0.92 0.00 0.00 175.35 175.07 2j1k s ILE 133 N 0.00 1.74 -0.42 2.17 1.01 0.97 -2.05 121.20 124.62 2j1k s ILE 133 Ca 0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 2j1k s ILE 133 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2j1k s ILE 133 CO 0.02 0.49 0.55 -1.00 0.00 0.00 0.00 174.94 175.00 2j1k s HIS 134 N 1.18 3.12 -0.25 3.97 3.76 0.32 -0.06 115.29 127.33 2j1k s HIS 134 Ca -0.01 -0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 54.65 2j1k s HIS 134 Cb -0.14 -3.12 -0.05 0.00 1.11 0.00 0.00 32.58 30.39 2j1k s HIS 134 CO -0.07 -0.76 0.20 -1.17 -0.85 0.00 0.00 174.74 172.10 2j1k s LEU 135 N 2.50 4.10 -0.08 0.89 2.96 0.17 -1.22 118.68 128.00 2j1k s LEU 135 Ca 0.18 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2j1k s LEU 135 Cb -0.15 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2j1k s LEU 135 CO 0.16 0.01 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 2j1k s VAL 136 N 1.29 3.65 -0.15 1.68 1.01 -0.30 -2.47 120.40 125.10 2j1k s VAL 136 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2j1k s VAL 136 Cb -0.14 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2j1k s VAL 136 CO 0.07 0.58 -0.11 -0.69 0.00 0.00 0.00 175.10 174.95 2j1k s VAL 137 N -0.64 1.43 -2.68 2.92 1.01 -1.26 -1.73 120.40 119.46 2j1k s VAL 137 Ca 0.10 -0.63 0.27 0.00 0.00 0.00 0.00 61.98 61.72 2j1k s VAL 137 Cb -0.11 -1.41 0.42 0.00 0.00 0.00 0.00 36.38 35.27 2j1k s VAL 137 CO 0.02 0.36 1.57 0.18 0.00 0.00 0.00 175.10 177.23