#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k s LEU 20 N 0.00 4.37 0.01 1.04 2.96 -1.26 -4.57 118.68 121.23 2j1k s LEU 20 Ca 0.00 2.59 -0.06 0.00 -0.22 0.00 0.00 54.13 56.45 2j1k s LEU 20 Cb 0.00 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 2j1k s LEU 20 CO 0.00 -0.84 0.10 -0.94 -1.32 0.00 0.00 176.35 173.35 2j1k s SER 21 N 1.45 0.09 -0.03 3.68 1.04 -1.09 -4.63 113.70 114.21 2j1k s SER 21 Ca 0.71 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.83 2j1k s SER 21 Cb -0.43 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2j1k s SER 21 CO 0.32 -0.38 0.01 -0.63 0.98 0.00 0.00 173.24 173.54 2j1k s ILE 22 N -1.55 4.31 -0.13 -1.02 1.01 -1.26 -1.09 121.20 121.47 2j1k s ILE 22 Ca -0.14 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2j1k s ILE 22 Cb -0.07 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2j1k s ILE 22 CO 0.00 0.46 1.00 -0.89 0.00 0.00 0.00 174.94 175.51 2j1k s THR 23 N -1.03 4.78 -0.47 2.92 2.01 -0.19 -4.17 115.64 119.50 2j1k s THR 23 Ca 0.18 2.01 -0.03 0.00 0.31 0.00 0.00 61.69 64.15 2j1k s THR 23 Cb -0.12 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.10 2j1k s THR 23 CO 0.08 -0.02 0.48 0.41 -0.69 0.00 0.00 174.62 174.88 2j1k n THR 24 N 4.67 -7.81 0.41 -0.82 -1.04 -1.26 -4.61 114.28 103.82 2j1k n THR 24 Ca 0.09 0.05 0.04 0.00 -2.04 0.00 0.00 64.05 62.19 2j1k n THR 24 Cb 0.48 -6.06 0.21 0.00 -1.82 0.00 0.00 70.33 63.14 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 -1.23 0.14 -3.68 -2.82 -0.04 -1.26 -4.57 135.00 121.55 2j1k n PRO 25 Ca 0.02 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2j1k n PRO 25 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.45 0.59 0.17 0.54 2.12 -1.26 -2.71 118.70 115.70 2j1k s GLU 26 Ca 0.09 0.90 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 2j1k s GLU 26 Cb 0.05 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2j1k s GLU 26 CO 0.12 -0.12 0.08 -1.21 -0.54 0.00 0.00 175.26 173.58 2j1k s GLU 27 N 0.97 1.09 -0.07 4.30 2.02 -1.01 -5.03 118.70 120.96 2j1k s GLU 27 Ca -0.05 -1.55 0.03 0.00 0.02 0.00 0.00 54.97 53.42 2j1k s GLU 27 Cb -0.06 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.30 2j1k s GLU 27 CO -0.09 -0.28 -0.17 -1.64 0.02 0.00 0.00 175.26 173.10 2j1k s MET 28 N -4.06 2.16 -0.18 1.61 -1.94 -1.26 -1.83 119.30 113.80 2j1k s MET 28 Ca 0.30 -0.59 -0.00 0.00 -1.71 0.00 0.00 55.69 53.69 2j1k s MET 28 Cb 0.07 -1.73 0.01 0.00 2.01 0.00 0.00 34.83 35.20 2j1k s MET 28 CO 0.06 0.11 -0.16 0.42 -0.01 0.00 0.00 175.02 175.44 2j1k s ILE 29 N 0.48 2.44 -0.13 2.53 1.09 -1.03 -4.97 121.20 121.60 2j1k s ILE 29 Ca -0.15 -0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 58.40 2j1k s ILE 29 Cb -0.16 -2.05 -0.04 0.00 -1.06 0.00 0.00 42.46 39.15 2j1k s ILE 29 CO 0.05 0.51 0.49 -1.61 -0.10 0.00 0.00 174.94 174.29 2j1k s GLU 30 N 1.22 4.32 0.14 2.79 2.02 -1.26 -1.96 118.70 125.96 2j1k s GLU 30 Ca 0.03 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.48 2j1k s GLU 30 Cb -0.14 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 2j1k s GLU 30 CO -0.08 0.10 0.02 0.15 0.02 0.00 0.00 175.26 175.47 2j1k s LYS 31 N 0.82 0.96 0.15 1.61 -0.14 -0.19 -5.00 119.74 117.95 2j1k s LYS 31 Ca 0.26 -1.45 0.06 0.00 -1.36 0.00 0.00 55.97 53.49 2j1k s LYS 31 Cb -0.15 0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.97 2j1k s LYS 31 CO 0.10 -0.18 0.01 0.00 -0.76 0.00 0.00 175.35 174.53 2j1k s ALA 32 N -3.85 3.26 0.32 5.17 0.00 -1.26 -4.09 121.76 121.31 2j1k s ALA 32 Ca 0.21 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2j1k s ALA 32 Cb 0.07 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.99 2j1k s ALA 32 CO 0.01 0.54 1.57 1.17 0.00 0.00 0.00 175.76 179.04 2j1k n LYS 33 N 0.02 2.71 -0.13 0.00 4.81 -1.26 -2.26 118.16 122.05 2j1k n LYS 33 Ca -0.10 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2j1k n LYS 33 Cb 0.54 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.86 2j1k n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j1k n GLY 34 N 1.62 1.76 3.94 3.14 0.00 0.70 -4.89 105.19 111.46 2j1k n GLY 34 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.34 2.69 -0.17 1.61 2.02 -0.96 -4.33 118.70 119.22 2j1k s GLU 35 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 2j1k s GLU 35 Cb 0.00 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 2j1k s GLU 35 CO 0.00 -0.73 -0.00 0.95 0.02 0.00 0.00 175.26 175.49 2j1k s THR 36 N -2.90 4.17 -0.17 3.63 -4.23 -1.26 -0.07 115.64 114.81 2j1k s THR 36 Ca 0.55 -0.26 -0.17 0.00 -1.18 0.00 0.00 61.69 60.64 2j1k s THR 36 Cb -0.10 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2j1k s THR 36 CO 0.42 0.48 0.44 0.00 -0.54 0.00 0.00 174.62 175.42 2j1k s ALA 37 N 0.41 3.53 -0.47 3.99 0.00 -0.31 -4.90 121.76 124.01 2j1k s ALA 37 Ca -0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 2j1k s ALA 37 Cb -0.14 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.36 2j1k s ALA 37 CO 0.02 -0.22 0.68 -0.47 0.00 0.00 0.00 175.76 175.77 2j1k s TYR 38 N 1.13 3.03 -0.56 0.00 5.04 -1.26 -0.90 117.35 123.83 2j1k s TYR 38 Ca 0.22 -0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 2j1k s TYR 38 Cb -0.15 -3.49 0.13 0.00 0.35 0.00 0.00 41.96 38.80 2j1k s TYR 38 CO 0.09 -0.97 0.54 -0.51 -1.34 0.00 0.00 175.55 173.36 2j1k s LEU 39 N 2.91 6.06 0.32 6.97 1.43 0.39 -5.00 118.68 131.76 2j1k s LEU 39 Ca 0.22 -1.75 -0.26 0.00 -1.03 0.00 0.00 54.13 51.30 2j1k s LEU 39 Cb -0.15 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 2j1k s LEU 39 CO 0.17 -0.90 0.94 -2.16 0.23 0.00 0.00 176.35 174.64 2j1k s PRO 40 N 1.76 4.59 -0.49 1.29 0.04 -1.26 -1.68 135.00 139.24 2j1k s PRO 40 Ca 0.05 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2j1k s PRO 40 Cb -0.28 -2.81 0.18 0.00 0.04 0.00 0.00 34.50 31.63 2j1k s PRO 40 CO 0.03 0.29 0.63 0.00 0.04 0.00 0.00 177.00 177.99 2j1k s LYS 42 N 0.72 4.17 0.11 0.00 -0.14 -1.26 -0.53 119.74 122.81 2j1k s LYS 42 Ca 0.30 0.14 0.08 0.00 -1.36 0.00 0.00 55.97 55.12 2j1k s LYS 42 Cb 0.01 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 2j1k s LYS 42 CO -0.08 0.32 -0.19 -0.59 -0.76 0.00 0.00 175.35 174.05 2j1k s PHE 43 N 0.21 1.67 -0.10 3.18 -0.12 -0.12 -1.02 117.98 121.68 2j1k s PHE 43 Ca 0.18 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.60 2j1k s PHE 43 Cb -0.13 -0.90 -0.03 0.00 -0.63 0.00 0.00 43.02 41.33 2j1k s PHE 43 CO 0.05 0.21 -0.08 0.99 -0.05 0.00 0.00 175.22 176.34 2j1k s THR 44 N -1.47 3.58 -0.07 -4.49 2.01 -0.25 -4.50 115.64 110.46 2j1k s THR 44 Ca 0.07 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 2j1k s THR 44 Cb -0.09 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2j1k s THR 44 CO 0.04 0.55 0.24 -0.76 -0.69 0.00 0.00 174.62 174.00 2j1k s LEU 45 N -0.24 4.42 0.29 4.42 1.43 -1.26 -2.66 118.68 125.08 2j1k s LEU 45 Ca 0.03 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 2j1k s LEU 45 Cb -0.13 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2j1k s LEU 45 CO 0.03 0.37 0.57 -0.55 0.23 0.00 0.00 176.35 177.00 2j1k s SER 46 N -1.10 6.47 0.44 2.29 0.15 -1.26 -4.93 113.70 115.75 2j1k s SER 46 Ca 0.19 0.77 0.10 0.00 0.70 0.00 0.00 55.95 57.71 2j1k s SER 46 Cb -0.14 -2.17 0.98 0.00 -1.71 0.00 0.00 66.02 62.99 2j1k s SER 46 CO 0.08 -0.20 2.06 -0.65 1.20 0.00 0.00 173.24 175.73 2j1k h PRO 47 N 1.72 0.40 0.00 5.44 0.11 -1.99 -2.18 132.00 135.50 2j1k h PRO 47 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2j1k h PRO 47 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2j1k h PRO 47 CO 0.66 0.26 0.00 1.05 -0.21 0.00 0.00 178.00 179.77 2j1k h GLU 48 N 0.41 0.00 -5.74 1.05 4.11 -1.96 -3.41 114.58 109.04 2j1k h GLU 48 Ca 0.14 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.12 2j1k h GLU 48 Cb 0.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2j1k h GLU 48 CO -0.03 0.00 1.32 -0.51 0.07 0.00 0.00 179.01 179.86 2j1k s ASP 49 N -4.89 5.73 0.00 3.06 1.01 -0.82 -4.25 116.67 116.50 2j1k s ASP 49 Ca 0.03 -1.55 0.16 0.00 0.71 0.00 0.00 52.55 51.89 2j1k s ASP 49 Cb 0.09 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 2j1k s ASP 49 CO 0.46 -2.28 0.72 0.00 0.21 0.00 0.00 175.17 174.28 2j1k n GLN 50 N 8.56 1.85 -1.46 8.23 1.13 -0.25 -4.86 117.38 130.59 2j1k n GLN 50 Ca 0.42 -0.27 -0.29 0.00 -1.94 0.00 0.00 57.00 54.92 2j1k n GLN 50 Cb 0.47 -1.24 0.18 0.00 0.11 0.00 0.00 30.24 29.76 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 -2.27 1.62 0.29 1.08 0.00 -0.22 -4.93 107.32 102.90 2j1k s GLY 51 Ca 0.08 -0.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 2j1k s GLY 51 CO 0.56 -0.08 1.32 2.56 0.00 0.00 0.00 173.10 177.46 2j1k s PRO 52 N -5.42 4.36 0.17 2.90 0.04 -1.26 -4.46 135.00 131.33 2j1k s PRO 52 Ca 0.68 2.18 -0.31 0.00 0.04 0.00 0.00 61.00 63.59 2j1k s PRO 52 Cb -0.11 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 2j1k s PRO 52 CO 0.54 -0.22 1.51 -1.17 0.04 0.00 0.00 177.00 177.71 2j1k s LEU 53 N -1.24 4.37 -0.31 -3.56 2.96 -1.26 -4.40 118.68 115.25 2j1k s LEU 53 Ca 0.52 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 57.00 2j1k s LEU 53 Cb -0.39 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 42.84 2j1k s LEU 53 CO 0.48 -0.77 0.28 -0.62 -1.32 0.00 0.00 176.35 174.40 2j1k s ASP 54 N 1.00 1.91 -0.02 3.68 2.15 -0.27 -4.41 116.67 120.71 2j1k s ASP 54 Ca 0.67 -1.08 0.08 0.00 0.43 0.00 0.00 52.55 52.65 2j1k s ASP 54 Cb -0.42 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.53 2j1k s ASP 54 CO 0.33 -0.37 -0.25 -0.63 -0.17 0.00 0.00 175.17 174.09 2j1k s ILE 55 N 2.06 1.95 -0.03 4.11 1.01 -0.44 -0.50 121.20 129.37 2j1k s ILE 55 Ca 0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 2j1k s ILE 55 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.72 2j1k s ILE 55 CO -0.26 0.55 0.27 -1.83 0.00 0.00 0.00 174.94 173.67 2j1k s GLU 56 N -0.60 0.56 -0.06 2.79 -1.05 -0.25 -0.82 118.70 119.27 2j1k s GLU 56 Ca 0.10 -0.13 0.02 0.00 -0.15 0.00 0.00 54.97 54.81 2j1k s GLU 56 Cb -0.10 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 2j1k s GLU 56 CO -0.01 -0.14 -0.11 -1.58 0.95 0.00 0.00 175.26 174.37 2j1k s TRP 57 N -1.05 2.82 0.21 4.83 0.52 -0.71 -0.27 118.94 125.28 2j1k s TRP 57 Ca -0.11 -0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2j1k s TRP 57 Cb -0.05 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.55 2j1k s TRP 57 CO 0.03 0.24 -0.16 -0.51 0.02 0.00 0.00 176.95 176.57 2j1k s LEU 58 N -0.73 2.54 -0.08 2.99 1.43 0.14 -1.45 118.68 123.51 2j1k s LEU 58 Ca 0.11 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 2j1k s LEU 58 Cb -0.11 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.35 2j1k s LEU 58 CO 0.01 -0.11 -0.13 -0.51 0.23 0.00 0.00 176.35 175.84 2j1k s ILE 59 N -2.71 1.27 -0.69 -0.59 -1.16 0.24 -0.82 121.20 116.73 2j1k s ILE 59 Ca 0.22 -0.54 -0.08 0.00 -0.51 0.00 0.00 60.65 59.74 2j1k s ILE 59 Cb -0.02 -1.16 0.18 0.00 0.61 0.00 0.00 42.46 42.07 2j1k s ILE 59 CO 0.08 0.39 0.56 -0.44 -2.81 0.00 0.00 174.94 172.72 2j1k s SER 60 N 0.76 5.86 0.24 4.50 0.01 0.43 -1.36 113.70 124.13 2j1k s SER 60 Ca -0.12 -2.71 -0.30 0.00 1.31 0.00 0.00 55.95 54.13 2j1k s SER 60 Cb -0.16 -2.00 -0.09 0.00 0.21 0.00 0.00 66.02 63.98 2j1k s SER 60 CO 0.03 -0.48 1.30 -2.16 0.41 0.00 0.00 173.24 172.34 2j1k s PRO 61 N 0.15 4.39 0.48 12.44 0.04 -1.26 -1.84 135.00 149.41 2j1k s PRO 61 Ca 0.16 2.09 0.26 0.00 0.04 0.00 0.00 61.00 63.56 2j1k s PRO 61 Cb -0.17 -3.16 1.17 0.00 0.04 0.00 0.00 34.50 32.38 2j1k s PRO 61 CO -0.05 -0.21 1.93 0.00 0.04 0.00 0.00 177.00 178.71 2j1k h ALA 62 N 4.70 1.10 -0.79 8.56 0.00 -1.65 -3.29 119.26 127.90 2j1k h ALA 62 Ca -0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2j1k h ALA 62 Cb 1.22 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2j1k h ALA 62 CO 0.73 0.21 0.32 -0.44 0.00 0.00 0.00 179.25 180.08 2j1k h ASP 63 N 0.00 1.07 -3.87 0.00 5.19 -1.88 -3.47 116.42 113.46 2j1k h ASP 63 Ca -0.00 -0.16 -0.32 0.00 -0.62 0.00 0.00 57.03 55.93 2j1k h ASP 63 Cb 0.58 -0.28 -0.08 0.00 0.18 0.00 0.00 39.33 39.73 2j1k h ASP 63 CO 0.02 0.94 -0.29 -0.46 -3.12 0.00 0.00 179.24 176.33 2j1k n ASN 64 N -4.28 0.24 0.07 6.45 0.23 -1.24 -5.08 115.26 111.64 2j1k n ASN 64 Ca 0.07 -2.37 -0.06 0.00 -0.53 0.00 0.00 54.58 51.69 2j1k n ASN 64 Cb 0.18 0.87 -0.11 0.00 -2.08 0.00 0.00 39.78 38.65 2j1k n ASN 64 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2j1k h GLN 65 N 0.00 0.00 -7.02 -3.83 1.08 -1.91 -3.46 115.11 99.97 2j1k h GLN 65 Ca -0.17 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.53 2j1k h GLN 65 Cb 0.76 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.24 2j1k h GLN 65 CO 0.26 0.96 0.45 -1.59 -0.95 0.00 0.00 178.83 177.96 2j1k s LYS 66 N -2.74 3.75 0.13 1.46 -2.85 -1.26 -5.05 119.74 113.18 2j1k s LYS 66 Ca 0.01 1.63 0.02 0.00 -1.00 0.00 0.00 55.97 56.64 2j1k s LYS 66 Cb 0.10 -2.30 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 2j1k s LYS 66 CO 0.81 -0.52 -0.05 0.54 0.10 0.00 0.00 175.35 176.23 2j1k s VAL 67 N -1.67 0.76 -1.29 1.79 0.11 -1.26 -4.22 120.40 114.60 2j1k s VAL 67 Ca 0.65 -1.97 -0.06 0.00 -2.93 0.00 0.00 61.98 57.67 2j1k s VAL 67 Cb -0.25 -1.84 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2j1k s VAL 67 CO 0.30 -0.73 0.61 0.47 -3.33 0.00 0.00 175.10 172.42 2j1k n ASP 68 N -0.13 -2.06 -4.61 3.54 8.00 -1.15 -4.94 116.55 115.20 2j1k n ASP 68 Ca -0.10 -0.95 -0.38 0.00 0.71 0.00 0.00 54.79 54.07 2j1k n ASP 68 Cb 0.62 -3.48 -0.10 0.00 -0.02 0.00 0.00 41.12 38.13 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 -6.18 4.00 0.29 -1.24 -1.52 -0.47 -4.83 119.66 109.73 2j1k s GLN 69 Ca 0.14 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 53.06 2j1k s GLN 69 Cb -0.05 -3.63 -0.13 0.00 -0.22 0.00 0.00 33.01 28.98 2j1k s GLN 69 CO 0.86 -0.14 1.21 1.33 -0.25 0.00 0.00 175.29 178.30 2j1k n VAL 70 N 4.86 1.73 -0.01 1.09 0.24 -1.26 -0.59 118.33 124.39 2j1k n VAL 70 Ca -0.13 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.72 2j1k n VAL 70 Cb 0.52 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 31.55 2j1k n VAL 70 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2j1k n ILE 71 N 0.66 0.19 -3.49 1.34 -5.35 -0.53 -3.92 119.36 108.27 2j1k n ILE 71 Ca 0.08 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 2j1k n ILE 71 Cb 0.33 -0.83 -0.04 0.00 -1.74 0.00 0.00 39.64 37.37 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 -2.07 0.01 -0.01 7.28 2.07 -1.24 -4.52 121.20 122.72 2j1k s ILE 72 Ca -0.02 -0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 2j1k s ILE 72 Cb 0.01 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 2j1k s ILE 72 CO 0.10 -0.04 0.05 -0.22 -1.91 0.00 0.00 174.94 172.92 2j1k s LEU 73 N -2.17 1.86 -0.16 8.50 2.96 0.42 -1.73 118.68 128.35 2j1k s LEU 73 Ca -0.03 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2j1k s LEU 73 Cb -0.01 0.27 0.05 0.00 0.50 0.00 0.00 46.19 47.00 2j1k s LEU 73 CO -0.04 -0.17 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.32 2j1k s TYR 74 N -0.68 1.38 -0.02 5.38 5.04 -0.00 -1.18 117.35 127.26 2j1k s TYR 74 Ca -0.08 -0.90 -0.18 0.00 -2.44 0.00 0.00 57.07 53.47 2j1k s TYR 74 Cb -0.05 -1.16 0.03 0.00 0.35 0.00 0.00 41.96 41.13 2j1k s TYR 74 CO 0.00 -0.58 0.39 -1.54 -1.34 0.00 0.00 175.55 172.48 2j1k s SER 75 N 1.74 -0.29 -1.57 4.32 1.04 -0.84 -1.32 113.70 116.79 2j1k s SER 75 Ca 0.01 0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 2j1k s SER 75 Cb -0.15 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.33 2j1k s SER 75 CO -0.07 -0.48 0.57 0.61 0.98 0.00 0.00 173.24 174.85 2j1k n GLY 76 N 1.20 -0.52 3.02 7.32 0.00 -1.26 -2.01 105.19 112.94 2j1k n GLY 76 Ca -0.21 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.49 -4.52 -4.06 1.61 8.00 -1.26 -4.97 116.55 108.85 2j1k n ASP 77 Ca -0.12 -0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.02 2j1k n ASP 77 Cb 0.62 -3.73 -0.12 0.00 -0.02 0.00 0.00 41.12 37.87 2j1k n ASP 77 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2j1k s LYS 78 N -5.66 0.58 -0.12 -1.24 2.20 -0.85 -5.15 119.74 109.49 2j1k s LYS 78 Ca 0.27 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2j1k s LYS 78 Cb -0.13 -0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 35.73 2j1k s LYS 78 CO 0.33 0.09 -0.04 0.42 -0.36 0.00 0.00 175.35 175.79 2j1k s ILE 79 N -1.10 3.88 -0.10 5.43 1.01 -1.26 -1.98 121.20 127.08 2j1k s ILE 79 Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.23 2j1k s ILE 79 Cb -0.08 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.74 2j1k s ILE 79 CO 0.01 0.54 -0.15 -0.31 0.00 0.00 0.00 174.94 175.02 2j1k s TYR 80 N -0.11 1.94 0.00 3.97 1.51 -0.33 -5.00 117.35 119.33 2j1k s TYR 80 Ca 0.02 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 2j1k s TYR 80 Cb -0.13 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2j1k s TYR 80 CO 0.03 -0.45 0.55 -0.40 -1.11 0.00 0.00 175.55 174.16 2j1k n ASP 81 N 4.12 0.41 -3.18 2.29 5.68 -1.26 -0.44 116.55 124.18 2j1k n ASP 81 Ca -0.19 -1.19 -0.38 0.00 -0.50 0.00 0.00 54.79 52.53 2j1k n ASP 81 Cb 0.51 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 2j1k n ASP 81 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2j1k n ASP 82 N -0.10 7.38 -0.04 -1.12 2.03 -1.26 -4.56 116.55 118.89 2j1k n ASP 82 Ca 0.00 -3.53 -0.08 0.00 0.52 0.00 0.00 54.79 51.70 2j1k n ASP 82 Cb 0.41 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.59 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 0.34 0.00 -3.38 -0.67 4.01 -1.26 -4.95 117.16 111.25 2j1k n TYR 83 Ca 0.52 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.82 2j1k n TYR 83 Cb 0.30 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.15 3.28 0.36 -0.72 5.04 -1.25 -4.97 117.35 116.93 2j1k s TYR 84 Ca -0.11 -1.34 0.13 0.00 -2.44 0.00 0.00 57.07 53.31 2j1k s TYR 84 Cb 0.04 -3.59 0.98 0.00 0.35 0.00 0.00 41.96 39.73 2j1k s TYR 84 CO 0.15 -0.97 1.76 -1.00 -1.34 0.00 0.00 175.55 174.15 2j1k h PRO 85 N 8.77 0.50 -0.54 4.97 0.13 -1.95 -1.69 132.00 142.19 2j1k h PRO 85 Ca -0.28 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2j1k h PRO 85 Cb 1.10 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 2j1k h PRO 85 CO 0.97 0.33 0.14 -0.44 -0.23 0.00 0.00 178.00 178.77 2j1k h ASP 86 N 0.51 0.76 -0.45 1.44 3.32 -2.02 -2.74 116.42 117.24 2j1k h ASP 86 Ca 0.61 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2j1k h ASP 86 Cb 1.32 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2j1k h ASP 86 CO -0.37 0.74 0.00 0.18 -1.72 0.00 0.00 179.24 178.07 2j1k n LEU 87 N -4.28 3.78 -4.69 1.55 4.77 -0.65 -4.97 117.00 112.50 2j1k n LEU 87 Ca 0.04 -1.91 -0.53 0.00 -0.03 0.00 0.00 56.01 53.58 2j1k n LEU 87 Cb 0.21 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 2j1k n LEU 87 CO 0.40 0.58 1.42 1.17 -1.33 0.00 0.00 177.39 179.62 2j1k n LYS 88 N 0.65 1.59 -0.96 3.23 3.00 -1.04 -1.11 118.16 123.53 2j1k n LYS 88 Ca 0.19 0.58 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 2j1k n LYS 88 Cb 0.75 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.43 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 4.37 0.48 0.13 3.14 0.00 -1.26 -4.85 105.19 107.20 2j1k n GLY 89 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.97 2.18 -5.05 1.61 1.74 -0.26 -4.98 116.66 109.91 2j1k n ARG 90 Ca 0.00 -0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 56.28 2j1k n ARG 90 Cb 0.09 -0.95 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.90 2.60 -0.09 1.55 1.01 -1.22 -1.58 120.40 121.77 2j1k s VAL 91 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2j1k s VAL 91 Cb 0.04 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.51 2j1k s VAL 91 CO 0.13 0.57 0.71 -1.38 0.00 0.00 0.00 175.10 175.14 2j1k s HIS 92 N -0.40 -0.65 0.26 5.22 -3.43 -1.13 -5.01 115.29 110.16 2j1k s HIS 92 Ca 0.04 1.19 -0.30 0.00 -0.80 0.00 0.00 55.06 55.19 2j1k s HIS 92 Cb -0.12 0.39 -0.10 0.00 -1.43 0.00 0.00 32.58 31.33 2j1k s HIS 92 CO 0.02 -0.55 1.33 -0.06 -2.00 0.00 0.00 174.74 173.47 2j1k s PHE 93 N -0.97 3.15 0.03 0.38 0.08 -1.26 -1.16 117.98 118.23 2j1k s PHE 93 Ca -0.09 1.27 0.04 0.00 0.12 0.00 0.00 56.93 58.27 2j1k s PHE 93 Cb -0.01 -3.66 -0.24 0.00 -0.57 0.00 0.00 43.02 38.54 2j1k s PHE 93 CO 0.08 -1.98 0.96 1.79 -0.10 0.00 0.00 175.22 175.97 2j1k h THR 94 N 3.42 1.27 -3.84 0.64 1.35 -1.65 -3.47 112.91 110.64 2j1k h THR 94 Ca -0.47 -2.99 -0.50 0.00 -0.55 0.00 0.00 66.41 61.91 2j1k h THR 94 Cb 1.22 2.71 0.02 0.00 -1.73 0.00 0.00 68.15 70.37 2j1k h THR 94 CO 0.73 0.80 0.46 -0.55 -0.25 0.00 0.00 175.52 176.70 2j1k s SER 95 N -6.69 7.16 0.19 5.36 0.15 -1.26 -4.95 113.70 113.66 2j1k s SER 95 Ca -0.05 2.22 0.26 0.00 0.70 0.00 0.00 55.95 59.08 2j1k s SER 95 Cb 0.08 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.45 2j1k s SER 95 CO 0.84 -0.21 1.65 -0.46 1.20 0.00 0.00 173.24 176.25 2j1k n ASN 96 N 0.94 0.79 -3.42 5.45 6.94 -1.26 -4.44 115.26 120.25 2j1k n ASN 96 Ca 0.00 0.45 -0.26 0.00 -0.02 0.00 0.00 54.58 54.75 2j1k n ASN 96 Cb 0.46 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 37.25 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 -2.23 1.05 0.03 0.53 2.03 -1.26 -4.98 116.55 111.73 2j1k n ASP 97 Ca 0.05 -2.80 -0.10 0.00 0.52 0.00 0.00 54.79 52.46 2j1k n ASP 97 Cb 0.43 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 40.23 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 4.81 0.55 -2.29 -2.67 6.46 -1.78 -3.14 115.31 117.26 2j1k h LEU 98 Ca 0.17 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2j1k h LEU 98 Cb 0.83 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2j1k h LEU 98 CO 0.54 1.06 -0.01 0.07 -0.62 0.00 0.00 178.44 179.48 2j1k h LYS 99 N 0.34 0.00 0.00 1.25 2.10 -1.93 -2.74 116.57 115.59 2j1k h LYS 99 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2j1k h LYS 99 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2j1k h LYS 99 CO 0.12 0.01 0.00 0.77 -2.00 0.00 0.00 179.45 178.35 2j1k h SER 100 N 0.00 0.00 0.00 7.07 0.02 -1.96 -3.46 113.55 115.22 2j1k h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2j1k h SER 100 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2j1k h SER 100 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2j1k n GLY 101 N 0.36 0.18 2.58 -3.77 0.00 -1.05 -4.95 105.19 98.54 2j1k n GLY 101 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 3.58 -0.30 1.61 2.15 -1.12 -0.95 116.67 121.46 2j1k s ASP 102 Ca 0.00 -1.32 0.10 0.00 0.43 0.00 0.00 52.55 51.76 2j1k s ASP 102 Cb 0.00 -0.43 0.65 0.00 -0.30 0.00 0.00 42.92 42.83 2j1k s ASP 102 CO 0.00 -0.43 1.67 0.00 -0.17 0.00 0.00 175.17 176.24 2j1k n ALA 103 N 5.18 4.33 -1.78 3.66 0.00 0.31 -4.46 120.51 127.75 2j1k n ALA 103 Ca -0.05 -2.58 -0.36 0.00 0.00 0.00 0.00 53.44 50.45 2j1k n ALA 103 Cb 0.42 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.57 6.20 0.19 0.00 0.01 -1.23 -4.61 113.70 112.69 2j1k s SER 104 Ca 0.51 2.14 0.07 0.00 1.31 0.00 0.00 55.95 59.97 2j1k s SER 104 Cb 0.42 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 2j1k s SER 104 CO 0.09 -0.89 -0.13 0.27 0.41 0.00 0.00 173.24 173.00 2j1k s ILE 105 N -1.72 1.58 -0.14 1.44 -4.36 -0.67 -1.64 121.20 115.68 2j1k s ILE 105 Ca 0.66 -2.17 -0.04 0.00 -0.26 0.00 0.00 60.65 58.83 2j1k s ILE 105 Cb -0.23 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 2j1k s ILE 105 CO 0.28 -0.63 0.02 0.20 0.24 0.00 0.00 174.94 175.05 2j1k s ASN 106 N -3.28 5.35 -0.56 4.36 0.01 -0.31 -0.46 114.94 120.05 2j1k s ASN 106 Ca 0.21 0.08 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 2j1k s ASN 106 Cb 0.00 -1.75 0.15 0.00 0.41 0.00 0.00 41.25 40.06 2j1k s ASN 106 CO 0.05 0.26 0.41 -0.69 -1.51 0.00 0.00 177.10 175.62 2j1k s VAL 107 N -0.19 4.05 0.68 1.60 1.01 -0.08 -2.83 120.40 124.64 2j1k s VAL 107 Ca 0.06 -2.33 -0.11 0.00 0.00 0.00 0.00 61.98 59.59 2j1k s VAL 107 Cb -0.12 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2j1k s VAL 107 CO 0.02 -0.83 1.06 0.42 0.00 0.00 0.00 175.10 175.77 2j1k s THR 108 N 0.67 4.07 -1.23 3.92 -4.23 -0.61 -1.16 115.64 117.06 2j1k s THR 108 Ca 0.12 0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 61.07 2j1k s THR 108 Cb -0.21 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.09 2j1k s THR 108 CO -0.03 -0.88 0.65 -3.20 -0.54 0.00 0.00 174.62 170.62 2j1k n ASN 109 N -3.00 -3.77 -4.70 3.99 2.85 -1.14 -4.81 115.26 104.68 2j1k n ASN 109 Ca 0.07 -1.15 -0.43 0.00 -0.11 0.00 0.00 54.58 52.95 2j1k n ASN 109 Cb 0.55 -2.51 -0.02 0.00 1.24 0.00 0.00 39.78 39.04 2j1k n ASN 109 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2j1k n LEU 110 N -4.60 3.51 -4.69 1.20 4.77 0.89 -4.55 117.00 113.53 2j1k n LEU 110 Ca -0.14 1.17 -0.26 0.00 -0.03 0.00 0.00 56.01 56.75 2j1k n LEU 110 Cb 0.60 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 2j1k n LEU 110 CO 0.72 -0.38 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.09 2j1k s GLN 111 N -1.07 2.11 0.38 3.23 -1.52 -1.26 -0.22 119.66 121.31 2j1k s GLN 111 Ca 0.62 -1.97 0.13 0.00 -1.95 0.00 0.00 55.36 52.18 2j1k s GLN 111 Cb -0.59 -1.83 0.75 0.00 -0.22 0.00 0.00 33.01 31.13 2j1k s GLN 111 CO 0.55 -0.10 1.85 -0.07 -0.25 0.00 0.00 175.29 177.27 2j1k h LEU 112 N 1.56 0.01 0.00 2.90 3.38 -1.95 -2.62 115.31 118.59 2j1k h LEU 112 Ca -0.43 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2j1k h LEU 112 Cb 1.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2j1k h LEU 112 CO 0.75 0.35 0.00 -1.54 0.09 0.00 0.00 178.44 178.09 2j1k n SER 113 N -4.13 0.00 -0.00 -0.43 3.41 -1.26 -2.89 113.62 108.33 2j1k n SER 113 Ca -0.02 -0.02 0.14 0.00 -0.26 0.00 0.00 58.87 58.72 2j1k n SER 113 Cb 0.38 -0.30 0.69 0.00 -0.26 0.00 0.00 64.21 64.72 2j1k n SER 113 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2j1k n ASP 114 N -1.30 0.00 -4.69 4.04 8.00 -0.99 -4.82 116.55 116.79 2j1k n ASP 114 Ca 0.11 0.20 -0.44 0.00 0.71 0.00 0.00 54.79 55.37 2j1k n ASP 114 Cb 0.21 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2j1k n ASP 114 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2j1k n ILE 115 N -1.40 0.23 -1.30 0.53 5.41 -1.14 -4.87 119.36 116.82 2j1k n ILE 115 Ca 0.10 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2j1k n ILE 115 Cb 0.29 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 2j1k n ILE 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2j1k n GLY 116 N 4.00 -2.00 3.68 7.39 0.00 -0.97 -1.68 105.19 115.61 2j1k n GLY 116 Ca 0.18 -1.18 -0.37 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 -2.35 5.32 -0.25 2.61 2.01 -0.77 -0.72 115.64 121.49 2j1k s THR 117 Ca 0.00 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 2j1k s THR 117 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 2j1k s THR 117 CO 0.00 0.34 0.06 -0.31 -0.69 0.00 0.00 174.62 174.02 2j1k s TYR 118 N 1.00 3.08 -0.17 4.92 2.02 0.11 -0.43 117.35 127.88 2j1k s TYR 118 Ca 0.11 -0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2j1k s TYR 118 Cb -0.13 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 2j1k s TYR 118 CO 0.05 -0.40 0.03 -1.14 -1.57 0.00 0.00 175.55 172.51 2j1k s GLN 119 N 1.59 3.82 -0.27 -0.62 0.74 -0.00 -0.48 119.66 124.44 2j1k s GLN 119 Ca 0.06 -0.40 -0.09 0.00 0.05 0.00 0.00 55.36 54.97 2j1k s GLN 119 Cb -0.15 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 2j1k s GLN 119 CO 0.03 0.29 0.14 0.00 -0.55 0.00 0.00 175.29 175.20 2j1k s LYS 121 N 1.68 3.38 -0.17 0.00 1.02 0.62 -0.87 119.74 125.40 2j1k s LYS 121 Ca 0.06 -0.63 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 2j1k s LYS 121 Cb -0.16 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2j1k s LYS 121 CO 0.07 -0.16 -0.03 0.08 -0.92 0.00 0.00 175.35 174.39 2j1k s VAL 122 N 1.37 3.85 -0.03 3.17 1.01 0.28 -1.09 120.40 128.96 2j1k s VAL 122 Ca 0.05 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2j1k s VAL 122 Cb -0.14 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2j1k s VAL 122 CO -0.03 0.47 -0.24 -0.54 0.00 0.00 0.00 175.10 174.76 2j1k s LYS 123 N 0.62 2.06 -0.38 2.72 1.02 0.34 -0.66 119.74 125.46 2j1k s LYS 123 Ca -0.02 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.14 2j1k s LYS 123 Cb -0.14 -1.94 0.16 0.00 -0.52 0.00 0.00 37.83 35.38 2j1k s LYS 123 CO 0.02 0.49 0.42 0.21 -0.92 0.00 0.00 175.35 175.58 2j1k s LYS 124 N -0.49 0.68 0.20 1.68 2.20 -0.20 -1.12 119.74 122.69 2j1k s LYS 124 Ca 0.07 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 2j1k s LYS 124 Cb -0.10 -0.57 -0.16 0.00 -1.51 0.00 0.00 37.83 35.49 2j1k s LYS 124 CO -0.00 -1.20 0.99 0.00 -0.36 0.00 0.00 175.35 174.78 2j1k n ALA 125 N 4.26 -1.21 1.35 3.13 0.00 -1.26 -0.68 120.51 126.10 2j1k n ALA 125 Ca 0.11 0.45 0.12 0.00 0.00 0.00 0.00 53.44 54.12 2j1k n ALA 125 Cb 0.47 -1.93 0.68 0.00 0.00 0.00 0.00 19.45 18.67 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 1.29 0.56 -2.04 0.00 -0.04 -1.26 -1.05 135.00 132.46 2j1k n PRO 126 Ca 0.14 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 2j1k n PRO 126 Cb 0.26 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.28 2.62 -0.09 0.55 0.00 0.14 -5.03 107.32 103.23 2j1k s GLY 127 Ca 0.30 1.31 -0.04 0.00 0.00 0.00 0.00 44.72 46.29 2j1k s GLY 127 CO 0.33 2.13 0.20 0.14 0.00 0.00 0.00 173.10 175.91 2j1k s VAL 128 N -0.50 -0.05 -0.02 1.40 1.01 -1.26 -1.03 120.40 119.96 2j1k s VAL 128 Ca 0.55 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2j1k s VAL 128 Cb -0.41 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2j1k s VAL 128 CO 0.48 0.07 0.18 0.00 0.00 0.00 0.00 175.10 175.83 2j1k s ALA 129 N 1.24 -0.44 0.15 5.51 0.00 0.16 -4.86 121.76 123.53 2j1k s ALA 129 Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2j1k s ALA 129 Cb -0.11 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2j1k s ALA 129 CO -0.07 -0.19 0.01 0.54 0.00 0.00 0.00 175.76 176.04 2j1k s ASN 130 N -1.05 0.90 -0.02 0.00 4.22 -1.26 -0.55 114.94 117.17 2j1k s ASN 130 Ca -0.11 -1.16 -0.00 0.00 -2.14 0.00 0.00 52.86 49.44 2j1k s ASN 130 Cb -0.06 0.17 0.03 0.00 1.28 0.00 0.00 41.25 42.67 2j1k s ASN 130 CO 0.02 -0.61 0.04 -0.75 -2.04 0.00 0.00 177.10 173.75 2j1k s LYS 131 N -3.95 -0.04 -0.14 3.55 2.20 -0.05 -4.84 119.74 116.48 2j1k s LYS 131 Ca 0.22 0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2j1k s LYS 131 Cb 0.07 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 2j1k s LYS 131 CO 0.02 -0.18 0.02 0.15 -0.36 0.00 0.00 175.35 175.00 2j1k s LYS 132 N 1.13 3.53 -0.13 4.03 1.02 -1.10 -0.07 119.74 128.15 2j1k s LYS 132 Ca -0.08 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.52 2j1k s LYS 132 Cb -0.13 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2j1k s LYS 132 CO -0.03 0.43 -0.17 0.42 -0.92 0.00 0.00 175.35 175.08 2j1k s ILE 133 N -0.12 1.71 -0.51 2.17 1.01 0.37 -2.41 121.20 123.42 2j1k s ILE 133 Ca 0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2j1k s ILE 133 Cb -0.12 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.83 2j1k s ILE 133 CO 0.02 0.48 0.82 -1.00 0.00 0.00 0.00 174.94 175.26 2j1k s HIS 134 N 1.10 2.91 -0.23 3.97 3.76 -0.76 0.07 115.29 126.10 2j1k s HIS 134 Ca -0.03 -0.10 -0.17 0.00 -0.15 0.00 0.00 55.06 54.62 2j1k s HIS 134 Cb -0.14 -3.83 -0.03 0.00 1.11 0.00 0.00 32.58 29.68 2j1k s HIS 134 CO -0.05 -1.18 0.45 -1.17 -0.85 0.00 0.00 174.74 171.94 2j1k s LEU 135 N 3.45 4.10 -0.10 0.89 2.96 0.10 -2.48 118.68 127.61 2j1k s LEU 135 Ca 0.26 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 2j1k s LEU 135 Cb -0.14 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2j1k s LEU 135 CO 0.18 -0.18 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.14 2j1k s VAL 136 N 1.82 2.42 -0.25 1.68 1.01 -0.83 -2.30 120.40 123.96 2j1k s VAL 136 Ca 0.20 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2j1k s VAL 136 Cb -0.15 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2j1k s VAL 136 CO 0.09 0.55 0.56 0.52 0.00 0.00 0.00 175.10 176.83