#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k h ARG 18 N 0.00 0.24 -4.26 0.00 9.65 -1.97 -3.41 114.38 114.64 2j1k h ARG 18 Ca 0.00 -0.41 -0.23 0.00 -1.10 0.00 0.00 59.98 58.24 2j1k h ARG 18 Cb 0.00 0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 28.62 2j1k h ARG 18 CO 0.00 1.20 -0.35 -1.54 2.80 0.00 0.00 179.97 182.07 2j1k s SER 19 N -7.05 0.50 -0.07 -3.80 1.04 -1.26 -4.80 113.70 98.27 2j1k s SER 19 Ca -0.22 -1.35 -0.30 0.00 0.48 0.00 0.00 55.95 54.57 2j1k s SER 19 Cb 0.06 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 2j1k s SER 19 CO 0.75 -1.07 1.51 -0.22 0.98 0.00 0.00 173.24 175.19 2j1k s LEU 20 N -3.17 4.29 0.02 2.42 0.20 -1.26 -4.45 118.68 116.73 2j1k s LEU 20 Ca 0.33 2.09 0.01 0.00 0.69 0.00 0.00 54.13 57.24 2j1k s LEU 20 Cb 0.02 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 2j1k s LEU 20 CO 0.16 -0.85 -0.04 -0.94 -0.29 0.00 0.00 176.35 174.39 2j1k s SER 21 N 2.70 0.39 -0.15 3.68 1.04 -1.03 -4.54 113.70 115.79 2j1k s SER 21 Ca 0.67 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 2j1k s SER 21 Cb -0.30 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2j1k s SER 21 CO 0.25 -0.23 0.08 -0.63 0.98 0.00 0.00 173.24 173.69 2j1k s ILE 22 N -1.24 4.96 -0.31 -1.02 1.01 -1.26 -1.36 121.20 121.97 2j1k s ILE 22 Ca -0.12 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 2j1k s ILE 22 Cb -0.09 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2j1k s ILE 22 CO -0.01 0.53 1.04 -0.89 0.00 0.00 0.00 174.94 175.62 2j1k s THR 23 N -0.28 4.56 -0.16 2.92 2.01 -0.41 -4.05 115.64 120.22 2j1k s THR 23 Ca 0.09 1.71 -0.05 0.00 0.31 0.00 0.00 61.69 63.75 2j1k s THR 23 Cb -0.12 -4.37 0.01 0.00 0.01 0.00 0.00 72.50 68.02 2j1k s THR 23 CO 0.01 -0.42 0.18 0.41 -0.69 0.00 0.00 174.62 174.12 2j1k n THR 24 N 5.77 -5.90 0.55 -0.82 -1.04 -1.26 -4.66 114.28 106.91 2j1k n THR 24 Ca 0.11 0.48 0.11 0.00 -2.04 0.00 0.00 64.05 62.71 2j1k n THR 24 Cb 0.47 -5.34 0.44 0.00 -1.82 0.00 0.00 70.33 64.09 2j1k n THR 24 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2j1k n PRO 25 N -0.22 0.12 -3.90 -2.82 -0.02 -1.26 -4.77 135.00 122.13 2j1k n PRO 25 Ca 0.04 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 2j1k n PRO 25 Cb 0.14 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2j1k n PRO 25 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2j1k s GLU 26 N -3.14 0.34 -0.15 -0.52 2.56 -1.26 -2.36 118.70 114.17 2j1k s GLU 26 Ca 0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 54.97 54.39 2j1k s GLU 26 Cb 0.11 0.14 0.09 0.00 2.00 0.00 0.00 34.13 36.47 2j1k s GLU 26 CO 0.41 -0.07 0.82 -2.00 -0.56 0.00 0.00 175.26 173.86 2j1k s GLU 27 N -1.12 0.82 -0.11 4.30 2.12 -1.08 -5.02 118.70 118.61 2j1k s GLU 27 Ca -0.12 0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.63 2j1k s GLU 27 Cb -0.07 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 2j1k s GLU 27 CO 0.00 -0.21 -0.17 1.41 -0.54 0.00 0.00 175.26 175.75 2j1k s MET 28 N -0.70 3.22 -0.20 4.30 -2.45 -1.26 -1.31 119.30 120.90 2j1k s MET 28 Ca -0.05 -0.76 -0.02 0.00 -1.25 0.00 0.00 55.69 53.61 2j1k s MET 28 Cb -0.02 -2.49 0.06 0.00 1.25 0.00 0.00 34.83 33.63 2j1k s MET 28 CO 0.04 0.22 0.02 0.42 1.05 0.00 0.00 175.02 176.77 2j1k s ILE 29 N 0.30 0.67 -0.17 10.11 1.01 -0.65 -4.97 121.20 127.50 2j1k s ILE 29 Ca -0.13 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 2j1k s ILE 29 Cb -0.16 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 2j1k s ILE 29 CO 0.07 -0.17 0.32 -1.61 0.00 0.00 0.00 174.94 173.54 2j1k s GLU 30 N 1.79 4.24 0.09 2.79 2.02 -1.26 -1.52 118.70 126.85 2j1k s GLU 30 Ca -0.01 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.11 2j1k s GLU 30 Cb -0.17 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2j1k s GLU 30 CO -0.08 0.16 -0.07 0.15 0.02 0.00 0.00 175.26 175.45 2j1k s LYS 31 N 0.70 0.77 0.39 1.61 -0.14 -0.67 -5.00 119.74 117.41 2j1k s LYS 31 Ca 0.17 -1.23 -0.11 0.00 -1.36 0.00 0.00 55.97 53.44 2j1k s LYS 31 Cb -0.13 -0.21 -0.07 0.00 -1.68 0.00 0.00 37.83 35.74 2j1k s LYS 31 CO 0.05 -0.01 0.77 0.00 -0.76 0.00 0.00 175.35 175.40 2j1k s ALA 32 N -3.22 3.34 0.26 5.17 0.00 -1.26 -0.03 121.76 126.01 2j1k s ALA 32 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 2j1k s ALA 32 Cb 0.03 -2.73 -0.12 0.00 0.00 0.00 0.00 23.12 20.30 2j1k s ALA 32 CO -0.04 0.05 1.57 1.17 0.00 0.00 0.00 175.76 178.52 2j1k n LYS 33 N -1.13 2.52 0.00 0.00 4.81 0.94 -2.45 118.16 122.86 2j1k n LYS 33 Ca 0.03 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 2j1k n LYS 33 Cb 0.54 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 2.56 2.84 3.94 3.14 0.00 -0.55 -4.89 105.19 112.24 2j1k n GLY 34 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 2.07 -0.20 1.61 2.02 -1.03 -4.04 118.70 118.26 2j1k s GLU 35 Ca 0.00 -0.42 -0.06 0.00 0.02 0.00 0.00 54.97 54.51 2j1k s GLU 35 Cb 0.00 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 2j1k s GLU 35 CO 0.00 -1.29 0.02 0.95 0.02 0.00 0.00 175.26 174.97 2j1k s THR 36 N -3.23 4.17 -0.15 3.63 -4.23 -1.26 -0.83 115.64 113.75 2j1k s THR 36 Ca 0.61 -0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.66 2j1k s THR 36 Cb -0.10 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2j1k s THR 36 CO 0.44 0.42 0.68 0.00 -0.54 0.00 0.00 174.62 175.62 2j1k s ALA 37 N 0.96 3.47 -0.40 3.99 0.00 -0.14 -4.91 121.76 124.74 2j1k s ALA 37 Ca 0.02 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 2j1k s ALA 37 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2j1k s ALA 37 CO 0.02 -0.40 0.72 -0.47 0.00 0.00 0.00 175.76 175.63 2j1k s TYR 38 N 1.53 3.08 -0.57 0.00 5.04 -1.26 -0.91 117.35 124.26 2j1k s TYR 38 Ca 0.33 0.29 -0.15 0.00 -2.44 0.00 0.00 57.07 55.11 2j1k s TYR 38 Cb -0.16 -3.39 0.14 0.00 0.35 0.00 0.00 41.96 38.90 2j1k s TYR 38 CO 0.13 -0.79 0.52 -0.51 -1.34 0.00 0.00 175.55 173.56 2j1k s LEU 39 N 3.00 6.21 0.24 6.97 1.43 0.29 -5.00 118.68 131.80 2j1k s LEU 39 Ca 0.28 -1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.13 2j1k s LEU 39 Cb -0.13 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 2j1k s LEU 39 CO 0.18 -0.79 1.03 -2.84 0.23 0.00 0.00 176.35 174.16 2j1k s PRO 40 N 1.35 4.71 -0.45 1.29 0.02 -1.26 -1.96 135.00 138.69 2j1k s PRO 40 Ca 0.06 1.66 0.06 0.00 0.02 0.00 0.00 61.00 62.79 2j1k s PRO 40 Cb -0.27 -3.25 0.22 0.00 0.02 0.00 0.00 34.50 31.22 2j1k s PRO 40 CO 0.01 0.29 0.64 0.00 -0.33 0.00 0.00 177.00 177.61 2j1k s LYS 42 N 0.09 3.86 0.04 0.00 1.02 -1.26 -0.89 119.74 122.60 2j1k s LYS 42 Ca 0.33 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.61 2j1k s LYS 42 Cb 0.12 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2j1k s LYS 42 CO -0.16 0.52 0.05 -0.59 -0.92 0.00 0.00 175.35 174.25 2j1k s PHE 43 N -1.44 0.29 0.06 3.18 -0.12 0.80 -1.29 117.98 119.46 2j1k s PHE 43 Ca 0.36 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 2j1k s PHE 43 Cb -0.14 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 2j1k s PHE 43 CO 0.19 -0.34 -0.21 0.99 -0.05 0.00 0.00 175.22 175.80 2j1k s THR 44 N -2.76 2.62 0.18 -4.49 2.01 -0.47 -4.39 115.64 108.34 2j1k s THR 44 Ca -0.04 -1.34 0.07 0.00 0.31 0.00 0.00 61.69 60.70 2j1k s THR 44 Cb -0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2j1k s THR 44 CO -0.05 0.28 0.03 -0.76 -0.69 0.00 0.00 174.62 173.43 2j1k s LEU 45 N -1.58 3.43 0.29 4.42 1.43 -1.26 -2.46 118.68 122.94 2j1k s LEU 45 Ca 0.15 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2j1k s LEU 45 Cb -0.10 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2j1k s LEU 45 CO 0.06 0.08 0.12 -0.94 0.23 0.00 0.00 176.35 175.89 2j1k s SER 46 N -3.03 4.91 0.45 2.29 1.04 -1.26 -2.80 113.70 115.30 2j1k s SER 46 Ca 0.28 -0.56 0.17 0.00 0.48 0.00 0.00 55.95 56.32 2j1k s SER 46 Cb -0.09 -0.97 1.11 0.00 0.10 0.00 0.00 66.02 66.16 2j1k s SER 46 CO 0.20 -0.12 1.97 -0.65 0.98 0.00 0.00 173.24 175.61 2j1k h PRO 47 N 1.63 0.32 0.00 4.02 0.11 -1.89 -1.71 132.00 134.47 2j1k h PRO 47 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2j1k h PRO 47 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2j1k h PRO 47 CO 0.61 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.66 2j1k h GLU 48 N 0.33 0.00 -5.82 1.05 4.11 -1.95 -3.40 114.58 108.90 2j1k h GLU 48 Ca 0.29 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 59.07 2j1k h GLU 48 Cb 0.71 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 2j1k h GLU 48 CO -0.07 0.00 2.13 -0.25 0.07 0.00 0.00 179.01 180.89 2j1k n ASP 49 N -2.69 4.80 -0.65 3.06 8.00 -0.65 -4.20 116.55 124.23 2j1k n ASP 49 Ca 0.00 -2.90 0.09 0.00 0.71 0.00 0.00 54.79 52.69 2j1k n ASP 49 Cb 0.21 -1.75 0.05 0.00 -0.02 0.00 0.00 41.12 39.62 2j1k n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j1k n GLN 50 N 8.38 1.62 -1.42 -1.24 6.02 0.19 -4.78 117.38 126.15 2j1k n GLN 50 Ca 0.49 -1.39 -0.29 0.00 -0.01 0.00 0.00 57.00 55.79 2j1k n GLN 50 Cb 0.46 -1.36 0.18 0.00 1.02 0.00 0.00 30.24 30.54 2j1k n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2j1k s GLY 51 N -1.75 1.60 0.33 1.08 0.00 -0.24 -4.90 107.32 103.44 2j1k s GLY 51 Ca 0.20 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 2j1k s GLY 51 CO 0.31 -0.02 1.23 2.56 0.00 0.00 0.00 173.10 177.18 2j1k s PRO 52 N -5.35 4.38 0.16 2.90 0.04 -1.26 -4.43 135.00 131.45 2j1k s PRO 52 Ca 0.67 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 2j1k s PRO 52 Cb -0.13 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 2j1k s PRO 52 CO 0.55 -0.10 1.29 -1.17 0.04 0.00 0.00 177.00 177.60 2j1k s LEU 53 N -1.81 4.41 -0.29 -3.56 2.96 -1.26 -4.40 118.68 114.73 2j1k s LEU 53 Ca 0.49 2.31 -0.02 0.00 -0.22 0.00 0.00 54.13 56.69 2j1k s LEU 53 Cb -0.36 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 42.85 2j1k s LEU 53 CO 0.48 -0.51 0.25 -0.62 -1.32 0.00 0.00 176.35 174.62 2j1k s ASP 54 N 0.52 2.20 0.00 3.68 2.15 -0.26 -4.31 116.67 120.66 2j1k s ASP 54 Ca 0.58 -0.90 0.05 0.00 0.43 0.00 0.00 52.55 52.70 2j1k s ASP 54 Cb -0.35 0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.50 2j1k s ASP 54 CO 0.35 -0.40 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.20 2j1k s ILE 55 N 2.29 3.21 0.04 4.11 -1.09 -0.25 -0.38 121.20 129.14 2j1k s ILE 55 Ca 0.09 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 2j1k s ILE 55 Cb -0.15 -2.35 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2j1k s ILE 55 CO -0.34 0.43 0.13 -1.83 -1.23 0.00 0.00 174.94 172.10 2j1k s GLU 56 N -1.24 0.63 -0.05 2.79 -1.05 -0.52 -1.01 118.70 118.26 2j1k s GLU 56 Ca 0.15 -0.74 0.06 0.00 -0.15 0.00 0.00 54.97 54.29 2j1k s GLU 56 Cb -0.11 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.82 2j1k s GLU 56 CO 0.05 -0.17 -0.24 -1.58 0.95 0.00 0.00 175.26 174.27 2j1k s TRP 57 N -2.71 2.45 0.20 4.83 0.52 -0.26 -0.64 118.94 123.33 2j1k s TRP 57 Ca -0.04 -0.58 0.10 0.00 0.02 0.00 0.00 56.10 55.60 2j1k s TRP 57 Cb -0.00 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 2j1k s TRP 57 CO -0.05 -0.12 -0.21 -0.51 0.02 0.00 0.00 176.95 176.08 2j1k s LEU 58 N -0.33 2.48 -0.08 2.99 1.43 -0.34 -0.30 118.68 124.53 2j1k s LEU 58 Ca 0.02 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2j1k s LEU 58 Cb -0.12 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 2j1k s LEU 58 CO 0.02 0.04 -0.22 -0.51 0.23 0.00 0.00 176.35 175.90 2j1k s ILE 59 N -2.06 1.89 -0.54 -0.59 2.07 0.11 -1.38 121.20 120.71 2j1k s ILE 59 Ca 0.21 -0.95 -0.08 0.00 -1.41 0.00 0.00 60.65 58.43 2j1k s ILE 59 Cb -0.06 -1.63 0.14 0.00 0.13 0.00 0.00 42.46 41.04 2j1k s ILE 59 CO 0.10 0.53 0.40 -0.44 -1.91 0.00 0.00 174.94 173.61 2j1k s SER 60 N 0.16 5.69 0.33 4.50 0.01 -0.27 -0.99 113.70 123.14 2j1k s SER 60 Ca -0.11 -2.21 -0.22 0.00 1.31 0.00 0.00 55.95 54.72 2j1k s SER 60 Cb -0.16 -1.98 -0.10 0.00 0.21 0.00 0.00 66.02 63.99 2j1k s SER 60 CO 0.06 -0.60 0.87 -2.16 0.41 0.00 0.00 173.24 171.82 2j1k s PRO 61 N 0.91 4.33 0.49 12.44 0.04 -1.26 -0.92 135.00 151.04 2j1k s PRO 61 Ca 0.10 1.08 0.19 0.00 0.04 0.00 0.00 61.00 62.41 2j1k s PRO 61 Cb -0.23 -2.58 1.24 0.00 0.04 0.00 0.00 34.50 32.97 2j1k s PRO 61 CO -0.03 0.20 2.06 0.00 0.04 0.00 0.00 177.00 179.27 2j1k h ALA 62 N 2.72 1.62 -0.83 8.56 0.00 -1.64 -3.30 119.26 126.39 2j1k h ALA 62 Ca -0.48 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 54.53 2j1k h ALA 62 Cb 1.19 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2j1k h ALA 62 CO 0.64 0.15 0.14 -0.44 0.00 0.00 0.00 179.25 179.74 2j1k h ASP 63 N 0.00 -0.15 -3.27 0.00 5.19 -1.87 -3.46 116.42 112.86 2j1k h ASP 63 Ca -0.00 0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 56.46 2j1k h ASP 63 Cb 0.25 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2j1k h ASP 63 CO 0.02 -0.17 0.05 -0.46 -3.12 0.00 0.00 179.24 175.56 2j1k n ASN 64 N -5.28 -1.61 0.29 6.45 6.94 -1.24 -5.07 115.26 115.74 2j1k n ASN 64 Ca 0.18 -2.56 0.18 0.00 -0.02 0.00 0.00 54.58 52.36 2j1k n ASN 64 Cb 0.60 2.81 0.84 0.00 -2.36 0.00 0.00 39.78 41.66 2j1k n ASN 64 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2j1k h GLN 65 N 0.00 0.00 -6.86 -3.83 1.08 -1.89 -3.44 115.11 100.16 2j1k h GLN 65 Ca -0.27 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.44 2j1k h GLN 65 Cb 1.08 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2j1k h GLN 65 CO 0.35 0.04 0.43 -1.59 -0.95 0.00 0.00 178.83 177.11 2j1k s LYS 66 N -3.90 4.48 0.07 1.46 -2.85 -1.26 -5.04 119.74 112.70 2j1k s LYS 66 Ca -0.01 1.63 0.02 0.00 -1.00 0.00 0.00 55.97 56.61 2j1k s LYS 66 Cb 0.11 -2.93 -0.03 0.00 -2.06 0.00 0.00 37.83 32.92 2j1k s LYS 66 CO 0.52 0.12 -0.08 0.54 0.10 0.00 0.00 175.35 176.55 2j1k s VAL 67 N -1.38 0.66 -1.15 1.79 0.11 -1.26 -4.15 120.40 115.01 2j1k s VAL 67 Ca 0.49 -1.41 -0.19 0.00 -2.93 0.00 0.00 61.98 57.95 2j1k s VAL 67 Cb -0.27 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 2j1k s VAL 67 CO 0.34 -0.54 0.78 0.47 -3.33 0.00 0.00 175.10 172.82 2j1k n ASP 68 N 0.91 -5.07 -4.52 3.54 8.00 -1.13 -4.92 116.55 113.36 2j1k n ASP 68 Ca -0.19 -1.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 2j1k n ASP 68 Cb 0.57 -3.46 -0.11 0.00 -0.02 0.00 0.00 41.12 38.09 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 -5.94 3.68 0.19 -1.24 -1.52 -0.16 -4.83 119.66 109.83 2j1k s GLN 69 Ca 0.44 -0.50 -0.33 0.00 -1.95 0.00 0.00 55.36 53.03 2j1k s GLN 69 Cb -0.15 -3.61 -0.15 0.00 -0.22 0.00 0.00 33.01 28.88 2j1k s GLN 69 CO 0.86 -0.28 1.29 0.28 -0.25 0.00 0.00 175.29 177.18 2j1k n VAL 70 N 5.03 0.76 -0.05 1.09 0.31 -1.26 0.05 118.33 124.25 2j1k n VAL 70 Ca -0.14 -0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 63.95 2j1k n VAL 70 Cb 0.51 -1.10 -0.07 0.00 -0.91 0.00 0.00 33.84 32.27 2j1k n VAL 70 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2j1k n ILE 71 N 1.87 0.64 -3.62 2.52 -5.35 0.59 -3.98 119.36 112.04 2j1k n ILE 71 Ca 0.14 -0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 2j1k n ILE 71 Cb 0.27 -0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 37.30 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 -2.23 0.00 0.09 7.28 2.07 -1.21 -4.55 121.20 122.66 2j1k s ILE 72 Ca -0.07 -0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.26 2j1k s ILE 72 Cb 0.03 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 2j1k s ILE 72 CO 0.35 -0.00 -0.25 -0.76 -1.91 0.00 0.00 174.94 172.37 2j1k s LEU 73 N 0.20 2.26 -0.15 8.50 1.43 -0.20 -1.10 118.68 129.62 2j1k s LEU 73 Ca -0.01 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2j1k s LEU 73 Cb -0.04 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2j1k s LEU 73 CO 0.02 0.18 -0.16 -0.47 0.23 0.00 0.00 176.35 176.15 2j1k s TYR 74 N -0.97 2.26 -0.22 0.29 5.04 -0.18 -1.43 117.35 122.14 2j1k s TYR 74 Ca 0.11 -1.25 -0.18 0.00 -2.44 0.00 0.00 57.07 53.31 2j1k s TYR 74 Cb -0.10 -1.63 0.06 0.00 0.35 0.00 0.00 41.96 40.64 2j1k s TYR 74 CO 0.04 -0.66 0.57 0.45 -1.34 0.00 0.00 175.55 174.60 2j1k s SER 75 N 1.36 -0.63 -1.43 4.32 0.15 -0.20 -1.09 113.70 116.19 2j1k s SER 75 Ca 0.03 1.16 -0.09 0.00 0.70 0.00 0.00 55.95 57.75 2j1k s SER 75 Cb -0.13 1.14 0.05 0.00 -1.71 0.00 0.00 66.02 65.37 2j1k s SER 75 CO -0.10 -0.20 0.98 0.61 1.20 0.00 0.00 173.24 175.73 2j1k n GLY 76 N 3.17 -0.46 2.56 9.45 0.00 -1.26 -1.16 105.19 117.48 2j1k n GLY 76 Ca -0.16 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.94 -4.00 -4.16 1.61 8.00 -1.26 -4.98 116.55 108.82 2j1k n ASP 77 Ca -0.05 0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.39 2j1k n ASP 77 Cb 0.57 -3.38 -0.12 0.00 -0.02 0.00 0.00 41.12 38.18 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 -5.16 0.81 -0.17 -1.24 1.02 -0.31 -5.14 119.74 109.55 2j1k s LYS 78 Ca 0.05 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.98 2j1k s LYS 78 Cb -0.03 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2j1k s LYS 78 CO 0.06 0.15 0.07 0.42 -0.92 0.00 0.00 175.35 175.14 2j1k s ILE 79 N -1.54 4.91 -0.15 2.17 1.01 -1.26 -1.03 121.20 125.31 2j1k s ILE 79 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2j1k s ILE 79 Cb -0.08 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2j1k s ILE 79 CO 0.02 0.48 -0.15 -0.31 0.00 0.00 0.00 174.94 174.98 2j1k s TYR 80 N 0.14 2.27 -0.02 3.97 2.02 -0.52 -5.00 117.35 120.20 2j1k s TYR 80 Ca 0.06 -1.27 0.15 0.00 -0.37 0.00 0.00 57.07 55.63 2j1k s TYR 80 Cb -0.12 -1.64 0.26 0.00 -0.40 0.00 0.00 41.96 40.06 2j1k s TYR 80 CO 0.00 -0.68 1.11 -0.40 -1.57 0.00 0.00 175.55 174.02 2j1k n ASP 81 N 4.68 0.76 -2.50 2.29 5.68 -1.26 -1.03 116.55 125.16 2j1k n ASP 81 Ca -0.18 -2.21 -0.31 0.00 -0.50 0.00 0.00 54.79 51.59 2j1k n ASP 81 Cb 0.50 -0.29 0.02 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.07 5.79 -0.07 -1.12 2.03 -1.26 -4.75 116.55 117.24 2j1k n ASP 82 Ca 0.05 -3.76 -0.12 0.00 0.52 0.00 0.00 54.79 51.48 2j1k n ASP 82 Cb 0.91 -0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 40.61 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 -0.58 0.00 -3.63 -0.67 4.01 -1.26 -4.91 117.16 110.12 2j1k n TYR 83 Ca 0.46 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.81 2j1k n TYR 83 Cb 0.60 -0.50 -0.10 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.25 3.45 0.37 -0.72 5.04 -1.26 -5.00 117.35 116.98 2j1k s TYR 84 Ca -0.18 -1.95 0.09 0.00 -2.44 0.00 0.00 57.07 52.59 2j1k s TYR 84 Cb 0.06 -3.30 0.84 0.00 0.35 0.00 0.00 41.96 39.92 2j1k s TYR 84 CO 0.27 -0.96 1.89 -1.35 -1.34 0.00 0.00 175.55 174.06 2j1k h PRO 85 N 8.33 0.64 0.00 4.97 0.11 -1.95 -1.84 132.00 142.26 2j1k h PRO 85 Ca -0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2j1k h PRO 85 Cb 1.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2j1k h PRO 85 CO 0.79 0.42 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.50 2j1k h ASP 86 N 0.66 0.00 -0.45 -2.05 5.19 -2.03 -2.20 116.42 115.54 2j1k h ASP 86 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2j1k h ASP 86 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2j1k h ASP 86 CO -0.17 0.06 0.00 0.18 -3.12 0.00 0.00 179.24 176.19 2j1k n LEU 87 N -4.36 3.22 -4.72 1.55 4.77 -0.70 -4.97 117.00 111.78 2j1k n LEU 87 Ca -0.03 -1.47 -0.61 0.00 -0.03 0.00 0.00 56.01 53.87 2j1k n LEU 87 Cb 0.15 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2j1k n LEU 87 CO 0.34 0.73 1.27 1.17 -1.33 0.00 0.00 177.39 179.58 2j1k n LYS 88 N 1.30 0.74 -0.41 3.23 4.81 -0.83 -0.42 118.16 126.58 2j1k n LYS 88 Ca 0.20 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2j1k n LYS 88 Cb 0.55 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.70 2j1k n LYS 88 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j1k n GLY 89 N 4.17 1.83 0.62 3.14 0.00 -1.26 -4.83 105.19 108.87 2j1k n GLY 89 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 1.56 -4.92 1.61 1.74 0.44 -4.93 116.66 110.15 2j1k n ARG 90 Ca 0.00 -1.61 -0.28 0.00 -0.77 0.00 0.00 57.85 55.19 2j1k n ARG 90 Cb 0.00 -1.28 -0.17 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.09 1.63 -0.07 1.55 1.01 -1.23 -1.00 120.40 121.21 2j1k s VAL 91 Ca 0.20 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2j1k s VAL 91 Cb 0.12 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 35.12 2j1k s VAL 91 CO 0.18 0.46 0.52 -1.38 0.00 0.00 0.00 175.10 174.88 2j1k s HIS 92 N 0.47 -0.48 0.31 5.22 -3.43 -1.10 -5.00 115.29 111.29 2j1k s HIS 92 Ca -0.17 0.89 -0.29 0.00 -0.80 0.00 0.00 55.06 54.69 2j1k s HIS 92 Cb -0.17 0.26 -0.10 0.00 -1.43 0.00 0.00 32.58 31.14 2j1k s HIS 92 CO 0.06 -0.47 1.38 -0.06 -2.00 0.00 0.00 174.74 173.66 2j1k s PHE 93 N -0.96 2.97 -0.14 0.38 0.08 -1.26 -1.29 117.98 117.76 2j1k s PHE 93 Ca -0.10 1.23 0.18 0.00 0.12 0.00 0.00 56.93 58.36 2j1k s PHE 93 Cb -0.03 -3.79 -0.12 0.00 -0.57 0.00 0.00 43.02 38.52 2j1k s PHE 93 CO 0.06 -2.34 0.84 0.25 -0.10 0.00 0.00 175.22 173.93 2j1k n THR 94 N 1.33 1.06 -3.32 0.64 -2.24 -0.63 -4.87 114.28 106.25 2j1k n THR 94 Ca 0.03 -0.66 -0.38 0.00 -2.27 0.00 0.00 64.05 60.76 2j1k n THR 94 Cb 0.41 -0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 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 -5.67 6.82 0.35 3.42 0.15 -1.26 -4.97 113.70 112.54 2j1k s SER 95 Ca -0.03 0.98 0.17 0.00 0.70 0.00 0.00 55.95 57.77 2j1k s SER 95 Cb 0.09 -2.31 0.57 0.00 -1.71 0.00 0.00 66.02 62.67 2j1k s SER 95 CO 0.81 0.12 1.69 -0.55 1.20 0.00 0.00 173.24 176.51 2j1k h ASN 96 N 5.83 0.00 -3.02 5.45 -1.07 -1.93 -3.35 115.58 117.49 2j1k h ASN 96 Ca -0.45 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 55.26 2j1k h ASN 96 Cb 1.20 0.00 -0.39 0.00 -2.07 0.00 0.00 38.32 37.06 2j1k h ASN 96 CO 0.70 0.44 -0.31 -0.67 0.07 0.00 0.00 177.43 177.66 2j1k n ASP 97 N -3.58 3.80 0.02 6.14 2.03 -1.26 -4.91 116.55 118.78 2j1k n ASP 97 Ca -0.00 -3.23 -0.10 0.00 0.52 0.00 0.00 54.79 51.98 2j1k n ASP 97 Cb 0.54 -0.89 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 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 5.42 0.59 -0.20 -2.67 6.46 -1.76 -3.14 115.31 120.00 2j1k h LEU 98 Ca 0.17 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2j1k h LEU 98 Cb 0.75 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2j1k h LEU 98 CO 0.83 1.05 0.00 2.29 -0.62 0.00 0.00 178.44 181.99 2j1k n LYS 99 N -3.93 0.07 -0.00 1.25 2.85 -1.26 -2.46 118.16 114.68 2j1k n LYS 99 Ca -0.04 0.28 0.15 0.00 -1.05 0.00 0.00 58.31 57.65 2j1k n LYS 99 Cb 0.63 -1.62 0.77 0.00 -0.65 0.00 0.00 35.03 34.16 2j1k n LYS 99 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2j1k n SER 100 N -1.75 0.59 0.00 -5.58 7.64 -1.19 -4.89 113.62 108.45 2j1k n SER 100 Ca 0.03 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2j1k n SER 100 Cb 0.21 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2j1k n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j1k n GLY 101 N 1.07 1.36 2.84 0.23 0.00 -1.03 -4.97 105.19 104.68 2j1k n GLY 101 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.66 4.30 -0.20 1.61 -1.08 -1.05 -0.14 116.67 118.45 2j1k s ASP 102 Ca 0.00 -1.90 0.15 0.00 -0.52 0.00 0.00 52.55 50.28 2j1k s ASP 102 Cb 0.00 -1.17 0.73 0.00 -1.46 0.00 0.00 42.92 41.02 2j1k s ASP 102 CO 0.00 -0.39 1.65 0.00 0.52 0.00 0.00 175.17 176.95 2j1k n ALA 103 N 4.54 3.52 -1.75 3.66 0.00 -0.07 -4.37 120.51 126.03 2j1k n ALA 103 Ca 0.01 -1.94 -0.36 0.00 0.00 0.00 0.00 53.44 51.14 2j1k n ALA 103 Cb 0.42 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.07 5.11 0.14 0.00 0.01 -1.21 -4.59 113.70 112.08 2j1k s SER 104 Ca 0.51 2.47 0.05 0.00 1.31 0.00 0.00 55.95 60.28 2j1k s SER 104 Cb 0.38 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2j1k s SER 104 CO 0.16 -1.65 -0.11 0.27 0.41 0.00 0.00 173.24 172.31 2j1k s ILE 105 N -1.52 1.21 -0.11 1.44 -4.36 -0.83 -1.60 121.20 115.42 2j1k s ILE 105 Ca 0.78 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 2j1k s ILE 105 Cb -0.33 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 2j1k s ILE 105 CO 0.36 -0.63 0.01 0.20 0.24 0.00 0.00 174.94 175.11 2j1k s ASN 106 N -2.90 5.30 -0.34 4.36 0.01 -0.41 -0.55 114.94 120.41 2j1k s ASN 106 Ca 0.14 0.13 -0.03 0.00 -0.71 0.00 0.00 52.86 52.38 2j1k s ASN 106 Cb -0.00 -1.60 0.06 0.00 0.41 0.00 0.00 41.25 40.12 2j1k s ASN 106 CO 0.01 0.33 0.08 -0.69 -1.51 0.00 0.00 177.10 175.33 2j1k s VAL 107 N -0.61 3.31 0.23 1.60 1.01 -0.08 -2.69 120.40 123.17 2j1k s VAL 107 Ca 0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 2j1k s VAL 107 Cb -0.12 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2j1k s VAL 107 CO 0.02 -0.27 0.47 0.42 0.00 0.00 0.00 175.10 175.74 2j1k s THR 108 N 1.27 5.11 -0.98 3.92 -4.23 -0.17 -0.96 115.64 119.60 2j1k s THR 108 Ca -0.01 -0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 2j1k s THR 108 Cb -0.20 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 2j1k s THR 108 CO -0.01 -0.20 0.74 -3.20 -0.54 0.00 0.00 174.62 171.42 2j1k n ASN 109 N -0.64 -5.90 -4.75 3.99 5.15 -1.07 -4.83 115.26 107.21 2j1k n ASN 109 Ca -0.03 -0.77 -0.42 0.00 -0.60 0.00 0.00 54.58 52.77 2j1k n ASN 109 Cb 0.53 -3.60 -0.02 0.00 -0.53 0.00 0.00 39.78 36.17 2j1k n ASN 109 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2j1k s LEU 110 N -5.54 4.34 0.18 1.20 1.43 -0.01 -4.65 118.68 115.63 2j1k s LEU 110 Ca 0.27 2.95 0.04 0.00 -1.03 0.00 0.00 54.13 56.37 2j1k s LEU 110 Cb -0.09 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2j1k s LEU 110 CO 0.84 -0.92 0.26 -1.10 0.23 0.00 0.00 176.35 175.65 2j1k s GLN 111 N -0.41 3.26 0.43 1.70 -1.52 -1.26 -1.48 119.66 120.38 2j1k s GLN 111 Ca 0.64 -0.74 0.11 0.00 -1.95 0.00 0.00 55.36 53.42 2j1k s GLN 111 Cb -0.48 -2.84 0.94 0.00 -0.22 0.00 0.00 33.01 30.42 2j1k s GLN 111 CO 0.47 0.48 2.01 -0.07 -0.25 0.00 0.00 175.29 177.93 2j1k h LEU 112 N 1.94 0.18 0.00 2.90 3.38 -1.94 -1.81 115.31 119.96 2j1k h LEU 112 Ca -0.49 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2j1k h LEU 112 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2j1k h LEU 112 CO 0.65 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.89 2j1k n SER 113 N -4.38 0.00 -0.06 -0.43 3.41 -1.26 -2.63 113.62 108.27 2j1k n SER 113 Ca -0.01 0.06 0.16 0.00 -0.26 0.00 0.00 58.87 58.82 2j1k n SER 113 Cb 0.19 -0.31 0.86 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.31 0.20 -4.69 4.04 8.00 -0.68 -4.79 116.55 117.33 2j1k n ASP 114 Ca 0.09 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 2j1k n ASP 114 Cb 0.16 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.08 2.89 -1.93 0.53 1.01 -1.08 -4.90 121.20 115.63 2j1k s ILE 115 Ca 0.44 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2j1k s ILE 115 Cb 0.22 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2j1k s ILE 115 CO 0.38 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2j1k n GLY 116 N 4.11 -1.42 3.56 6.18 0.00 -1.07 -1.64 105.19 114.91 2j1k n GLY 116 Ca 0.17 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.76 4.93 -0.24 2.61 2.01 -0.09 -1.33 115.64 120.76 2j1k s THR 117 Ca 0.00 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2j1k s THR 117 Cb 0.00 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 2j1k s THR 117 CO 0.00 0.32 0.06 -0.31 -0.69 0.00 0.00 174.62 174.00 2j1k s TYR 118 N 1.40 3.08 -0.17 4.92 2.02 0.80 -1.11 117.35 128.29 2j1k s TYR 118 Ca 0.06 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2j1k s TYR 118 Cb -0.15 -2.21 -0.01 0.00 -0.40 0.00 0.00 41.96 39.19 2j1k s TYR 118 CO 0.06 -0.35 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.45 2j1k s GLN 119 N 1.52 3.36 -0.20 -0.62 0.74 -0.48 -0.12 119.66 123.86 2j1k s GLN 119 Ca 0.06 -0.67 -0.16 0.00 0.05 0.00 0.00 55.36 54.64 2j1k s GLN 119 Cb -0.15 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 2j1k s GLN 119 CO 0.03 0.02 0.40 0.00 -0.55 0.00 0.00 175.29 175.19 2j1k s LYS 121 N 1.31 3.05 -0.16 0.00 1.02 0.18 -1.00 119.74 124.15 2j1k s LYS 121 Ca 0.19 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2j1k s LYS 121 Cb -0.15 -2.58 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2j1k s LYS 121 CO 0.08 -0.15 -0.16 0.08 -0.92 0.00 0.00 175.35 174.29 2j1k s VAL 122 N 1.16 2.63 -0.05 3.17 1.01 0.11 -1.44 120.40 127.00 2j1k s VAL 122 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2j1k s VAL 122 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2j1k s VAL 122 CO -0.09 0.52 -0.22 -0.54 0.00 0.00 0.00 175.10 174.77 2j1k s LYS 123 N 0.83 2.25 -0.37 2.72 1.02 0.49 -1.02 119.74 125.66 2j1k s LYS 123 Ca -0.05 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.19 2j1k s LYS 123 Cb -0.15 -1.92 0.16 0.00 -0.52 0.00 0.00 37.83 35.40 2j1k s LYS 123 CO -0.00 0.33 0.45 0.21 -0.92 0.00 0.00 175.35 175.42 2j1k s LYS 124 N -0.09 0.66 0.27 1.68 2.20 -0.15 -1.10 119.74 123.21 2j1k s LYS 124 Ca -0.04 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 2j1k s LYS 124 Cb -0.13 -0.43 -0.14 0.00 -1.51 0.00 0.00 37.83 35.63 2j1k s LYS 124 CO 0.03 -1.17 1.13 0.00 -0.36 0.00 0.00 175.35 174.98 2j1k n ALA 125 N 4.46 0.10 1.56 3.13 0.00 -1.26 -0.90 120.51 127.59 2j1k n ALA 125 Ca 0.10 0.40 0.14 0.00 0.00 0.00 0.00 53.44 54.07 2j1k n ALA 125 Cb 0.49 -2.09 0.77 0.00 0.00 0.00 0.00 19.45 18.62 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 1.02 0.67 -2.02 0.00 -0.04 -1.26 -0.63 135.00 132.74 2j1k n PRO 126 Ca 0.10 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.16 2j1k n PRO 126 Cb 0.31 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.24 2.80 -0.08 0.55 0.00 -0.08 -5.03 107.32 103.24 2j1k s GLY 127 Ca 0.35 1.35 -0.10 0.00 0.00 0.00 0.00 44.72 46.32 2j1k s GLY 127 CO 0.36 2.09 0.27 0.14 0.00 0.00 0.00 173.10 175.96 2j1k s VAL 128 N -0.83 0.02 0.01 1.40 1.01 -1.26 -0.98 120.40 119.77 2j1k s VAL 128 Ca 0.53 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2j1k s VAL 128 Cb -0.42 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.58 2j1k s VAL 128 CO 0.53 -0.08 0.45 0.00 0.00 0.00 0.00 175.10 176.00 2j1k s ALA 129 N -0.22 -1.13 0.05 5.51 0.00 -0.19 -4.83 121.76 120.95 2j1k s ALA 129 Ca -0.03 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2j1k s ALA 129 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2j1k s ALA 129 CO 0.01 -0.39 -0.06 0.54 0.00 0.00 0.00 175.76 175.86 2j1k s ASN 130 N -1.65 0.76 -0.03 0.00 2.20 -1.26 -0.71 114.94 114.26 2j1k s ASN 130 Ca -0.09 -0.68 0.00 0.00 -0.94 0.00 0.00 52.86 51.16 2j1k s ASN 130 Cb -0.02 0.08 0.03 0.00 -2.00 0.00 0.00 41.25 39.33 2j1k s ASN 130 CO 0.02 -0.32 -0.01 -0.75 -2.94 0.00 0.00 177.10 173.11 2j1k s LYS 131 N -2.26 0.37 -0.12 3.55 2.20 -0.17 -4.90 119.74 118.42 2j1k s LYS 131 Ca -0.05 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.56 2j1k s LYS 131 Cb -0.05 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2j1k s LYS 131 CO -0.02 -0.13 0.09 0.15 -0.36 0.00 0.00 175.35 175.08 2j1k s LYS 132 N 1.01 3.40 -0.12 4.03 1.02 -0.99 -0.68 119.74 127.40 2j1k s LYS 132 Ca -0.10 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2j1k s LYS 132 Cb -0.14 -3.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2j1k s LYS 132 CO -0.01 0.69 -0.11 0.42 -0.92 0.00 0.00 175.35 175.41 2j1k s ILE 133 N -0.79 1.25 -0.44 2.17 1.01 0.82 -2.62 121.20 122.61 2j1k s ILE 133 Ca 0.13 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 2j1k s ILE 133 Cb -0.12 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.17 2j1k s ILE 133 CO 0.03 0.40 0.56 -1.00 0.00 0.00 0.00 174.94 174.93 2j1k s HIS 134 N 1.44 3.11 -0.26 3.97 3.76 -0.43 -0.14 115.29 126.73 2j1k s HIS 134 Ca 0.01 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 2j1k s HIS 134 Cb -0.13 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 2j1k s HIS 134 CO -0.07 -0.82 0.28 -1.17 -0.85 0.00 0.00 174.74 172.11 2j1k s LEU 135 N 2.53 4.05 -0.08 0.89 2.96 -0.44 -1.63 118.68 126.96 2j1k s LEU 135 Ca 0.18 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2j1k s LEU 135 Cb -0.16 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 2j1k s LEU 135 CO 0.16 -0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 2j1k s VAL 136 N 1.75 4.09 -0.21 1.68 1.01 -0.57 -2.61 120.40 125.55 2j1k s VAL 136 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2j1k s VAL 136 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2j1k s VAL 136 CO 0.09 0.60 -0.11 -0.69 0.00 0.00 0.00 175.10 174.99 2j1k s VAL 137 N -0.79 1.73 0.51 2.92 1.01 -1.26 -1.67 120.40 122.85 2j1k s VAL 137 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2j1k s VAL 137 Cb -0.11 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2j1k s VAL 137 CO 0.02 0.17 0.73 -0.76 0.00 0.00 0.00 175.10 175.26 2j1k s LEU 138 N 1.35 3.41 0.00 3.92 1.43 0.95 -4.84 118.68 124.91 2j1k s LEU 138 Ca -0.02 0.06 0.24 0.00 -1.03 0.00 0.00 54.13 53.39 2j1k s LEU 138 Cb -0.16 -2.95 0.24 0.00 0.03 0.00 0.00 46.19 43.34 2j1k s LEU 138 CO -0.08 -0.98 1.29 0.52 0.23 0.00 0.00 176.35 177.33