#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 4.35 0.04 1.04 0.20 -1.26 -4.43 118.68 118.62 2j1k s LEU 20 Ca 0.00 2.38 -0.10 0.00 0.69 0.00 0.00 54.13 57.10 2j1k s LEU 20 Cb 0.00 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.20 2j1k s LEU 20 CO 0.00 -0.79 0.21 -0.94 -0.29 0.00 0.00 176.35 174.53 2j1k s SER 21 N 1.87 0.01 -0.03 3.68 1.04 -1.00 -4.55 113.70 114.71 2j1k s SER 21 Ca 0.69 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.81 2j1k s SER 21 Cb -0.38 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 2j1k s SER 21 CO 0.30 -0.54 -0.03 -0.63 0.98 0.00 0.00 173.24 173.32 2j1k s ILE 22 N -2.43 3.96 -0.10 -1.02 1.01 -1.26 -1.39 121.20 119.97 2j1k s ILE 22 Ca -0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 2j1k s ILE 22 Cb -0.02 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2j1k s ILE 22 CO -0.03 0.46 0.97 -0.89 0.00 0.00 0.00 174.94 175.45 2j1k s THR 23 N -0.98 4.81 -0.54 2.92 2.01 -0.53 -4.18 115.64 119.17 2j1k s THR 23 Ca 0.16 1.97 -0.08 0.00 0.31 0.00 0.00 61.69 64.06 2j1k s THR 23 Cb -0.11 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.12 2j1k s THR 23 CO 0.06 0.03 0.60 0.41 -0.69 0.00 0.00 174.62 175.03 2j1k n THR 24 N 4.49-10.03 0.08 -0.82 -1.04 -1.26 -4.73 114.28 100.97 2j1k n THR 24 Ca 0.08 0.34 0.01 0.00 -2.04 0.00 0.00 64.05 62.43 2j1k n THR 24 Cb 0.49 -6.90 0.04 0.00 -1.82 0.00 0.00 70.33 62.14 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 -0.98 0.02 -3.75 -2.82 -0.02 -1.26 -4.59 135.00 121.60 2j1k n PRO 25 Ca 0.06 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 2j1k n PRO 25 Cb 0.46 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.73 0.39 0.05 -0.52 2.12 -1.26 -1.47 118.70 115.29 2j1k s GLU 26 Ca 0.01 0.48 -0.08 0.00 0.36 0.00 0.00 54.97 55.74 2j1k s GLU 26 Cb 0.01 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.58 2j1k s GLU 26 CO 0.03 -0.05 0.17 -1.21 -0.54 0.00 0.00 175.26 173.65 2j1k s GLU 27 N 0.24 0.70 -0.11 4.30 2.02 -1.05 -5.02 118.70 119.79 2j1k s GLU 27 Ca -0.01 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.27 2j1k s GLU 27 Cb -0.03 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2j1k s GLU 27 CO -0.00 -0.20 -0.22 -1.64 0.02 0.00 0.00 175.26 173.21 2j1k s MET 28 N -2.91 2.91 -0.08 1.61 -1.94 -1.26 -1.64 119.30 115.98 2j1k s MET 28 Ca -0.02 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.12 2j1k s MET 28 Cb 0.01 -2.25 0.03 0.00 2.01 0.00 0.00 34.83 34.62 2j1k s MET 28 CO -0.06 0.11 -0.04 0.42 -0.01 0.00 0.00 175.02 175.45 2j1k s ILE 29 N 0.50 0.67 -0.13 2.53 1.01 -0.61 -4.97 121.20 120.20 2j1k s ILE 29 Ca -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2j1k s ILE 29 Cb -0.17 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2j1k s ILE 29 CO 0.06 0.30 -0.07 -1.61 0.00 0.00 0.00 174.94 173.61 2j1k s GLU 30 N 1.68 3.38 0.20 2.79 2.02 -1.26 -1.61 118.70 125.89 2j1k s GLU 30 Ca 0.02 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2j1k s GLU 30 Cb -0.13 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 2j1k s GLU 30 CO -0.05 0.33 0.07 0.15 0.02 0.00 0.00 175.26 175.78 2j1k s LYS 31 N 0.09 1.19 0.32 1.61 -0.14 -0.78 -4.98 119.74 117.06 2j1k s LYS 31 Ca -0.02 -1.61 0.05 0.00 -1.36 0.00 0.00 55.97 53.03 2j1k s LYS 31 Cb -0.14 -0.06 -0.01 0.00 -1.68 0.00 0.00 37.83 35.94 2j1k s LYS 31 CO 0.03 -0.26 0.47 0.00 -0.76 0.00 0.00 175.35 174.83 2j1k s ALA 32 N -3.87 4.09 0.28 5.17 0.00 -1.26 -4.15 121.76 122.01 2j1k s ALA 32 Ca 0.32 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 2j1k s ALA 32 Cb 0.07 -1.76 -0.12 0.00 0.00 0.00 0.00 23.12 21.32 2j1k s ALA 32 CO 0.08 0.00 1.62 1.17 0.00 0.00 0.00 175.76 178.64 2j1k n LYS 33 N -1.63 2.72 0.00 0.00 3.00 -1.26 -2.24 118.16 118.75 2j1k n LYS 33 Ca -0.02 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 2j1k n LYS 33 Cb 0.58 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.84 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 2.52 2.39 3.80 3.14 0.00 0.18 -4.90 105.19 112.32 2j1k n GLY 34 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.28 2.39 -0.27 1.61 0.41 -0.95 -4.06 118.70 117.55 2j1k s GLU 35 Ca 0.00 0.89 -0.06 0.00 -0.41 0.00 0.00 54.97 55.39 2j1k s GLU 35 Cb 0.00 -1.93 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 2j1k s GLU 35 CO 0.00 -1.47 0.05 0.95 -0.49 0.00 0.00 175.26 174.30 2j1k s THR 36 N -3.04 3.88 0.01 3.63 -4.23 -1.26 -0.34 115.64 114.28 2j1k s THR 36 Ca 0.60 -0.54 -0.27 0.00 -1.18 0.00 0.00 61.69 60.30 2j1k s THR 36 Cb -0.15 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2j1k s THR 36 CO 0.55 0.22 0.85 0.00 -0.54 0.00 0.00 174.62 175.70 2j1k s ALA 37 N 1.52 3.27 -0.32 3.99 0.00 -0.58 -4.85 121.76 124.78 2j1k s ALA 37 Ca 0.04 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 2j1k s ALA 37 Cb -0.16 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2j1k s ALA 37 CO 0.01 -0.10 0.21 -0.47 0.00 0.00 0.00 175.76 175.42 2j1k s TYR 38 N 0.56 3.22 -0.57 0.00 5.04 -1.26 -0.66 117.35 123.68 2j1k s TYR 38 Ca 0.44 -0.19 -0.10 0.00 -2.44 0.00 0.00 57.07 54.78 2j1k s TYR 38 Cb -0.20 -2.43 0.14 0.00 0.35 0.00 0.00 41.96 39.82 2j1k s TYR 38 CO 0.24 -0.33 0.46 -0.51 -1.34 0.00 0.00 175.55 174.07 2j1k s LEU 39 N 1.71 5.89 0.27 6.97 1.43 0.02 -5.02 118.68 129.95 2j1k s LEU 39 Ca 0.06 -2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 50.69 2j1k s LEU 39 Cb -0.17 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 2j1k s LEU 39 CO 0.10 -0.65 1.29 -2.16 0.23 0.00 0.00 176.35 175.16 2j1k s PRO 40 N 0.97 4.40 -0.45 1.29 0.04 -1.26 -2.30 135.00 137.69 2j1k s PRO 40 Ca 0.09 2.10 0.06 0.00 0.04 0.00 0.00 61.00 63.29 2j1k s PRO 40 Cb -0.23 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.36 2j1k s PRO 40 CO -0.02 -0.18 0.54 0.00 0.04 0.00 0.00 177.00 177.38 2j1k s LYS 42 N 0.23 4.01 0.11 0.00 1.02 -1.26 -0.70 119.74 123.15 2j1k s LYS 42 Ca 0.32 0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.54 2j1k s LYS 42 Cb 0.06 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2j1k s LYS 42 CO -0.14 0.47 -0.14 -0.59 -0.92 0.00 0.00 175.35 174.03 2j1k s PHE 43 N -0.27 1.37 -0.09 3.18 -0.12 -0.19 -1.45 117.98 120.40 2j1k s PHE 43 Ca 0.19 -0.55 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 2j1k s PHE 43 Cb -0.14 -0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 41.52 2j1k s PHE 43 CO 0.07 0.13 -0.20 0.99 -0.05 0.00 0.00 175.22 176.16 2j1k s THR 44 N -2.04 2.49 0.22 -4.49 2.01 -0.49 -4.51 115.64 108.83 2j1k s THR 44 Ca 0.07 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2j1k s THR 44 Cb -0.05 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2j1k s THR 44 CO 0.03 0.55 0.44 -0.76 -0.69 0.00 0.00 174.62 174.19 2j1k s LEU 45 N 0.10 4.18 0.23 4.42 1.43 -1.26 -2.39 118.68 125.39 2j1k s LEU 45 Ca -0.09 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2j1k s LEU 45 Cb -0.15 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 2j1k s LEU 45 CO 0.06 -0.07 0.36 -0.55 0.23 0.00 0.00 176.35 176.37 2j1k s SER 46 N -3.05 6.32 0.50 2.29 0.15 -1.26 -4.85 113.70 113.81 2j1k s SER 46 Ca 0.40 0.13 0.29 0.00 0.70 0.00 0.00 55.95 57.47 2j1k s SER 46 Cb -0.11 -1.89 1.24 0.00 -1.71 0.00 0.00 66.02 63.55 2j1k s SER 46 CO 0.29 -0.06 1.95 1.55 1.20 0.00 0.00 173.24 178.17 2j1k h PRO 47 N 1.38 0.00 0.00 5.44 0.13 -1.99 -2.70 132.00 134.25 2j1k h PRO 47 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2j1k h PRO 47 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2j1k h PRO 47 CO 0.63 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 2j1k n GLU 48 N -3.34 0.21 -2.40 0.86 0.28 -1.26 -4.53 120.64 110.46 2j1k n GLU 48 Ca -0.00 0.26 -0.38 0.00 -0.16 0.00 0.00 57.16 56.88 2j1k n GLU 48 Cb 0.33 -1.79 -0.02 0.00 1.43 0.00 0.00 31.44 31.40 2j1k n GLU 48 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2j1k n ASP 49 N -2.16 4.33 -0.81 -1.84 8.00 -1.02 -4.23 116.55 118.82 2j1k n ASP 49 Ca 0.04 -2.85 0.09 0.00 0.71 0.00 0.00 54.79 52.78 2j1k n ASP 49 Cb 0.35 -1.74 0.13 0.00 -0.02 0.00 0.00 41.12 39.84 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 8.33 1.94 -1.62 -1.24 1.13 -0.62 -4.83 117.38 120.46 2j1k n GLN 50 Ca 0.48 -1.85 -0.29 0.00 -1.94 0.00 0.00 57.00 53.40 2j1k n GLN 50 Cb 0.46 -1.37 0.16 0.00 0.11 0.00 0.00 30.24 29.61 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 -1.28 1.64 0.32 1.08 0.00 0.03 -4.91 107.32 104.20 2j1k s GLY 51 Ca 0.26 -0.83 -0.28 0.00 0.00 0.00 0.00 44.72 43.88 2j1k s GLY 51 CO 0.23 -0.15 1.13 2.56 0.00 0.00 0.00 173.10 176.86 2j1k s PRO 52 N -5.53 4.45 0.06 2.90 0.04 -1.26 -4.41 135.00 131.25 2j1k s PRO 52 Ca 0.68 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 2j1k s PRO 52 Cb -0.10 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.36 2j1k s PRO 52 CO 0.53 0.04 1.60 -1.17 0.04 0.00 0.00 177.00 178.03 2j1k s LEU 53 N -1.82 4.36 -0.35 -3.56 2.96 -1.26 -4.37 118.68 114.63 2j1k s LEU 53 Ca 0.49 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 2j1k s LEU 53 Cb -0.31 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 42.95 2j1k s LEU 53 CO 0.40 -0.85 0.25 -0.62 -1.32 0.00 0.00 176.35 174.21 2j1k s ASP 54 N 2.21 2.52 -0.05 3.68 -1.08 0.07 -4.38 116.67 119.64 2j1k s ASP 54 Ca 0.72 -1.91 0.03 0.00 -0.52 0.00 0.00 52.55 50.87 2j1k s ASP 54 Cb -0.38 -0.12 -0.02 0.00 -1.46 0.00 0.00 42.92 40.93 2j1k s ASP 54 CO 0.31 -0.31 -0.15 -0.63 0.52 0.00 0.00 175.17 174.91 2j1k s ILE 55 N 1.29 3.02 -0.02 4.11 1.01 -0.71 -0.37 121.20 129.53 2j1k s ILE 55 Ca 0.17 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 2j1k s ILE 55 Cb -0.20 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.09 2j1k s ILE 55 CO -0.04 0.59 0.16 -1.83 0.00 0.00 0.00 174.94 173.81 2j1k s GLU 56 N -0.64 0.38 -0.07 2.79 -1.05 -0.33 -0.53 118.70 119.24 2j1k s GLU 56 Ca 0.10 -0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.76 2j1k s GLU 56 Cb -0.11 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 2j1k s GLU 56 CO 0.01 -0.08 0.02 -1.58 0.95 0.00 0.00 175.26 174.58 2j1k s TRP 57 N -0.81 3.20 0.16 4.83 0.52 -0.51 -0.31 118.94 126.02 2j1k s TRP 57 Ca -0.09 0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.31 2j1k s TRP 57 Cb -0.05 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2j1k s TRP 57 CO 0.01 0.50 -0.15 -0.51 0.02 0.00 0.00 176.95 176.82 2j1k s LEU 58 N -1.06 2.47 -0.03 2.99 1.02 -0.05 -1.92 118.68 122.11 2j1k s LEU 58 Ca 0.15 -0.90 0.07 0.00 0.02 0.00 0.00 54.13 53.47 2j1k s LEU 58 Cb -0.11 -0.66 -0.02 0.00 0.02 0.00 0.00 46.19 45.41 2j1k s LEU 58 CO 0.04 -0.13 -0.25 -0.51 0.02 0.00 0.00 176.35 175.53 2j1k s ILE 59 N -2.44 2.15 -0.45 -0.59 2.07 0.14 -1.07 121.20 121.01 2j1k s ILE 59 Ca 0.16 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 2j1k s ILE 59 Cb -0.03 -1.75 0.12 0.00 0.13 0.00 0.00 42.46 40.92 2j1k s ILE 59 CO 0.05 0.58 0.20 -0.44 -1.91 0.00 0.00 174.94 173.42 2j1k s SER 60 N -0.57 4.78 0.43 4.50 0.01 0.04 -0.66 113.70 122.24 2j1k s SER 60 Ca 0.09 -2.49 -0.22 0.00 1.31 0.00 0.00 55.95 54.63 2j1k s SER 60 Cb -0.10 -1.70 -0.09 0.00 0.21 0.00 0.00 66.02 64.33 2j1k s SER 60 CO -0.00 -0.36 1.01 -2.16 0.41 0.00 0.00 173.24 172.13 2j1k s PRO 61 N 0.45 4.08 0.27 12.44 0.04 -1.26 -1.73 135.00 149.28 2j1k s PRO 61 Ca 0.13 1.33 0.09 0.00 0.04 0.00 0.00 61.00 62.59 2j1k s PRO 61 Cb -0.22 -2.29 0.34 0.00 0.04 0.00 0.00 34.50 32.36 2j1k s PRO 61 CO -0.04 -0.18 1.60 0.00 0.04 0.00 0.00 177.00 178.42 2j1k h ALA 62 N 2.04 0.96 0.08 8.56 0.00 -1.67 -3.31 119.26 125.92 2j1k h ALA 62 Ca -0.49 -0.56 -0.26 0.00 0.00 0.00 0.00 54.91 53.61 2j1k h ALA 62 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2j1k h ALA 62 CO 0.61 0.76 -1.21 0.38 0.00 0.00 0.00 179.25 179.79 2j1k h ASP 63 N 0.03 0.26 -2.86 0.00 3.04 -1.89 -3.45 116.42 111.55 2j1k h ASP 63 Ca -0.01 -0.30 -0.52 0.00 -3.24 0.00 0.00 57.03 52.96 2j1k h ASP 63 Cb 1.10 -0.09 -0.02 0.00 -1.04 0.00 0.00 39.33 39.29 2j1k h ASP 63 CO 0.08 1.24 -0.30 0.20 -2.04 0.00 0.00 179.24 178.42 2j1k s ASN 64 N -6.94 6.38 0.30 4.15 0.01 -1.25 -4.99 114.94 112.60 2j1k s ASN 64 Ca -0.03 0.43 0.26 0.00 -0.71 0.00 0.00 52.86 52.81 2j1k s ASN 64 Cb 0.08 -2.02 0.81 0.00 0.41 0.00 0.00 41.25 40.53 2j1k s ASN 64 CO 0.86 -0.09 1.75 -0.61 -1.51 0.00 0.00 177.10 177.50 2j1k h GLN 65 N 1.81 0.00 -7.05 -0.60 4.15 -1.88 -3.44 115.11 108.10 2j1k h GLN 65 Ca -0.48 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.40 2j1k h GLN 65 Cb 1.19 0.00 0.12 0.00 0.21 0.00 0.00 27.48 29.01 2j1k h GLN 65 CO 0.67 0.00 0.58 0.15 -1.93 0.00 0.00 178.83 178.29 2j1k s LYS 66 N -3.23 3.20 0.07 1.69 1.02 -1.26 -5.04 119.74 116.20 2j1k s LYS 66 Ca 0.08 2.13 0.06 0.00 0.02 0.00 0.00 55.97 58.25 2j1k s LYS 66 Cb 0.10 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 2j1k s LYS 66 CO 0.56 -1.11 -0.15 0.08 -0.92 0.00 0.00 175.35 173.81 2j1k s VAL 67 N -1.36 1.19 -1.16 3.17 1.01 -1.26 -4.21 120.40 117.78 2j1k s VAL 67 Ca 0.71 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2j1k s VAL 67 Cb -0.38 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2j1k s VAL 67 CO 0.44 -0.20 0.77 0.47 0.00 0.00 0.00 175.10 176.59 2j1k n ASP 68 N 1.27 -5.01 -4.71 3.32 8.00 -1.06 -4.95 116.55 113.41 2j1k n ASP 68 Ca -0.21 -1.04 -0.36 0.00 0.71 0.00 0.00 54.79 53.89 2j1k n ASP 68 Cb 0.54 -3.22 -0.08 0.00 -0.02 0.00 0.00 41.12 38.34 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 -6.13 4.16 0.33 -1.24 -1.52 0.17 -4.83 119.66 110.60 2j1k s GLN 69 Ca 0.46 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 53.37 2j1k s GLN 69 Cb -0.17 -3.46 -0.11 0.00 -0.22 0.00 0.00 33.01 29.05 2j1k s GLN 69 CO 0.87 0.22 1.54 0.14 -0.25 0.00 0.00 175.29 177.80 2j1k s VAL 70 N 0.60 2.09 -0.07 1.09 -7.23 -1.26 0.29 120.40 115.91 2j1k s VAL 70 Ca 0.09 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 2j1k s VAL 70 Cb -0.12 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.71 2j1k s VAL 70 CO 0.01 0.02 -0.03 2.30 -0.31 0.00 0.00 175.10 177.09 2j1k n ILE 71 N 1.39 0.40 -3.62 -0.62 -5.35 -0.81 -3.98 119.36 106.77 2j1k n ILE 71 Ca 0.05 -0.20 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 2j1k n ILE 71 Cb 0.38 -0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 37.42 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 -2.14 0.03 -0.07 7.28 2.07 -1.24 -4.57 121.20 122.57 2j1k s ILE 72 Ca -0.07 -0.26 -0.05 0.00 -1.41 0.00 0.00 60.65 58.86 2j1k s ILE 72 Cb 0.02 -0.88 0.03 0.00 0.13 0.00 0.00 42.46 41.76 2j1k s ILE 72 CO 0.20 -0.15 0.18 -0.22 -1.91 0.00 0.00 174.94 173.04 2j1k s LEU 73 N -1.55 1.01 -0.21 8.50 2.96 -0.11 -1.43 118.68 127.84 2j1k s LEU 73 Ca -0.09 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2j1k s LEU 73 Cb -0.02 0.57 0.02 0.00 0.50 0.00 0.00 46.19 47.26 2j1k s LEU 73 CO 0.04 -0.10 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.37 2j1k s TYR 74 N 0.57 2.94 -0.12 5.38 5.04 0.31 -0.79 117.35 130.68 2j1k s TYR 74 Ca -0.04 -1.58 -0.13 0.00 -2.44 0.00 0.00 57.07 52.89 2j1k s TYR 74 Cb -0.05 -1.99 0.03 0.00 0.35 0.00 0.00 41.96 40.30 2j1k s TYR 74 CO -0.03 -0.75 0.35 0.45 -1.34 0.00 0.00 175.55 174.23 2j1k s SER 75 N 1.31 -0.35 -1.48 4.32 0.15 -0.61 -1.74 113.70 115.29 2j1k s SER 75 Ca 0.02 0.66 -0.11 0.00 0.70 0.00 0.00 55.95 57.23 2j1k s SER 75 Cb -0.15 0.69 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2j1k s SER 75 CO -0.08 -0.15 0.93 0.61 1.20 0.00 0.00 173.24 175.74 2j1k n GLY 76 N 2.76 -0.45 2.44 9.45 0.00 -1.26 -1.05 105.19 117.08 2j1k n GLY 76 Ca -0.14 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.89 -5.16 -4.16 1.61 8.00 -1.26 -4.98 116.55 107.70 2j1k n ASP 77 Ca -0.03 0.33 -0.18 0.00 0.71 0.00 0.00 54.79 55.61 2j1k n ASP 77 Cb 0.56 -4.50 -0.12 0.00 -0.02 0.00 0.00 41.12 37.04 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 -4.08 0.82 -0.14 -1.24 1.02 -0.21 -5.14 119.74 110.77 2j1k s LYS 78 Ca 0.00 -0.93 -0.06 0.00 0.02 0.00 0.00 55.97 55.00 2j1k s LYS 78 Cb 0.00 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 2j1k s LYS 78 CO 0.00 0.18 0.08 0.42 -0.92 0.00 0.00 175.35 175.12 2j1k s ILE 79 N -1.23 4.99 -0.11 2.17 1.01 -1.26 -1.57 121.20 125.20 2j1k s ILE 79 Ca -0.02 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2j1k s ILE 79 Cb -0.10 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2j1k s ILE 79 CO 0.02 0.55 -0.14 -0.31 0.00 0.00 0.00 174.94 175.06 2j1k s TYR 80 N -0.40 1.87 -0.07 3.97 2.02 0.03 -5.01 117.35 119.75 2j1k s TYR 80 Ca 0.10 -0.87 0.22 0.00 -0.37 0.00 0.00 57.07 56.15 2j1k s TYR 80 Cb -0.12 -1.37 0.40 0.00 -0.40 0.00 0.00 41.96 40.47 2j1k s TYR 80 CO 0.02 -0.47 1.15 -0.40 -1.57 0.00 0.00 175.55 174.28 2j1k n ASP 81 N 4.26 0.82 -2.33 2.29 5.68 -1.26 -0.94 116.55 125.07 2j1k n ASP 81 Ca -0.19 -2.01 -0.28 0.00 -0.50 0.00 0.00 54.79 51.81 2j1k n ASP 81 Cb 0.51 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.12 5.27 -0.07 -1.12 2.03 -1.26 -4.75 116.55 116.77 2j1k n ASP 82 Ca 0.02 -3.75 -0.13 0.00 0.52 0.00 0.00 54.79 51.45 2j1k n ASP 82 Cb 1.01 -0.51 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.61 0.00 -3.65 -0.67 4.01 -1.26 -4.94 117.16 110.03 2j1k n TYR 83 Ca 0.44 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.79 2j1k n TYR 83 Cb 0.74 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 39.20 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 -2.24 3.50 0.39 -0.72 5.04 -1.26 -4.99 117.35 117.07 2j1k s TYR 84 Ca -0.18 -2.13 0.16 0.00 -2.44 0.00 0.00 57.07 52.47 2j1k s TYR 84 Cb 0.06 -3.38 1.03 0.00 0.35 0.00 0.00 41.96 40.03 2j1k s TYR 84 CO 0.25 -0.98 1.81 -1.35 -1.34 0.00 0.00 175.55 173.93 2j1k h PRO 85 N 8.25 0.46 0.00 4.97 0.11 -1.94 -2.00 132.00 141.83 2j1k h PRO 85 Ca -0.17 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2j1k h PRO 85 Cb 1.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2j1k h PRO 85 CO 0.79 0.30 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.32 2j1k h ASP 86 N 0.47 0.00 -0.64 -2.05 3.32 -2.02 -2.65 116.42 112.84 2j1k h ASP 86 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 2j1k h ASP 86 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2j1k h ASP 86 CO -0.26 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.56 2j1k n LEU 87 N -3.31 4.13 -4.50 1.55 4.77 -0.76 -4.98 117.00 113.90 2j1k n LEU 87 Ca -0.00 -2.19 -0.54 0.00 -0.03 0.00 0.00 56.01 53.24 2j1k n LEU 87 Cb 0.34 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2j1k n LEU 87 CO 0.30 0.89 1.64 1.17 -1.33 0.00 0.00 177.39 180.05 2j1k n LYS 88 N 1.25 0.97 0.00 3.23 3.00 -1.00 -0.56 118.16 125.04 2j1k n LYS 88 Ca 0.23 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 2j1k n LYS 88 Cb 0.70 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.52 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 5.92 2.19 0.00 3.14 0.00 -1.26 -4.87 105.19 110.30 2j1k n GLY 89 Ca 0.38 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 0.84 -4.35 1.61 1.74 0.27 -4.89 116.66 109.88 2j1k n ARG 90 Ca 0.00 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 2j1k n ARG 90 Cb 0.00 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 2j1k n ARG 90 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2j1k s VAL 91 N -2.79 4.07 0.03 1.55 -7.23 -1.21 -1.25 120.40 113.57 2j1k s VAL 91 Ca 0.06 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 59.76 2j1k s VAL 91 Cb 0.14 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2j1k s VAL 91 CO 0.77 0.50 0.39 -1.38 -0.31 0.00 0.00 175.10 175.07 2j1k s HIS 92 N 0.19 -0.25 0.31 2.82 -3.43 -1.06 -5.01 115.29 108.86 2j1k s HIS 92 Ca -0.01 0.24 -0.29 0.00 -0.80 0.00 0.00 55.06 54.21 2j1k s HIS 92 Cb -0.13 0.19 -0.10 0.00 -1.43 0.00 0.00 32.58 31.11 2j1k s HIS 92 CO 0.02 -0.53 1.19 -0.06 -2.00 0.00 0.00 174.74 173.37 2j1k s PHE 93 N -2.21 3.31 -0.09 0.38 0.08 -1.26 -0.96 117.98 117.24 2j1k s PHE 93 Ca -0.07 1.57 0.15 0.00 0.12 0.00 0.00 56.93 58.69 2j1k s PHE 93 Cb -0.02 -3.46 -0.14 0.00 -0.57 0.00 0.00 43.02 38.83 2j1k s PHE 93 CO -0.01 -1.17 0.89 1.79 -0.10 0.00 0.00 175.22 176.63 2j1k h THR 94 N 3.00 0.72 -3.37 0.64 1.35 -1.53 -3.46 112.91 110.26 2j1k h THR 94 Ca -0.48 -2.30 -0.55 0.00 -0.55 0.00 0.00 66.41 62.53 2j1k h THR 94 Cb 1.22 2.24 -0.04 0.00 -1.73 0.00 0.00 68.15 69.84 2j1k h THR 94 CO 0.66 0.41 0.07 -0.55 -0.25 0.00 0.00 175.52 175.86 2j1k s SER 95 N -6.01 7.21 0.11 5.36 0.15 -1.26 -4.99 113.70 114.27 2j1k s SER 95 Ca -0.02 1.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.98 2j1k s SER 95 Cb 0.08 -2.42 -0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2j1k s SER 95 CO 0.81 0.23 1.28 -1.13 1.20 0.00 0.00 173.24 175.62 2j1k h ASN 96 N 4.53 0.72 -3.52 5.45 -1.24 -1.93 -3.36 115.58 116.24 2j1k h ASN 96 Ca -0.48 -0.55 -0.64 0.00 0.71 0.00 0.00 56.30 55.34 2j1k h ASN 96 Cb 1.21 -0.22 -0.41 0.00 0.73 0.00 0.00 38.32 39.63 2j1k h ASN 96 CO 0.65 1.35 -0.53 -0.62 -1.29 0.00 0.00 177.43 176.99 2j1k s ASP 97 N -7.15 4.84 0.11 1.15 2.15 -1.26 -4.96 116.67 111.55 2j1k s ASP 97 Ca -0.08 -3.58 -0.15 0.00 0.43 0.00 0.00 52.55 49.18 2j1k s ASP 97 Cb 0.08 -1.68 -0.06 0.00 -0.30 0.00 0.00 42.92 40.96 2j1k s ASP 97 CO 0.89 -0.15 1.47 0.25 -0.17 0.00 0.00 175.17 177.46 2j1k h LEU 98 N 5.83 0.74 -2.00 -1.34 6.46 -1.80 -2.98 115.31 120.21 2j1k h LEU 98 Ca 0.08 -0.42 0.11 0.00 -0.12 0.00 0.00 57.88 57.53 2j1k h LEU 98 Cb 0.81 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2j1k h LEU 98 CO 0.73 1.00 0.42 0.07 -0.62 0.00 0.00 178.44 180.03 2j1k h LYS 99 N 0.48 0.00 0.00 1.25 2.10 -1.93 -1.92 116.57 116.55 2j1k h LYS 99 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2j1k h LYS 99 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2j1k h LYS 99 CO 0.05 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 177.95 2j1k n SER 100 N -3.75 0.53 0.00 7.07 2.88 -1.13 -4.83 113.62 114.39 2j1k n SER 100 Ca 0.07 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2j1k n SER 100 Cb 0.59 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2j1k n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j1k n GLY 101 N 0.19 0.83 2.57 0.46 0.00 -0.75 -4.98 105.19 103.51 2j1k n GLY 101 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.83 3.37 -0.08 1.61 -1.08 -1.04 -1.02 116.67 117.59 2j1k s ASP 102 Ca 0.00 -2.01 0.11 0.00 -0.52 0.00 0.00 52.55 50.14 2j1k s ASP 102 Cb 0.00 -0.58 0.47 0.00 -1.46 0.00 0.00 42.92 41.35 2j1k s ASP 102 CO 0.00 -0.34 1.31 0.00 0.52 0.00 0.00 175.17 176.66 2j1k n ALA 103 N 4.31 2.94 -1.74 3.66 0.00 0.12 -4.53 120.51 125.28 2j1k n ALA 103 Ca 0.06 -1.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.10 2j1k n ALA 103 Cb 0.38 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.72 4.82 0.10 0.00 0.01 -1.23 -4.65 113.70 112.03 2j1k s SER 104 Ca 0.33 2.58 0.04 0.00 1.31 0.00 0.00 55.95 60.21 2j1k s SER 104 Cb 0.22 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2j1k s SER 104 CO 0.15 -1.86 -0.10 0.27 0.41 0.00 0.00 173.24 172.11 2j1k s ILE 105 N -1.43 0.98 -0.01 1.44 -4.36 -0.97 -1.32 121.20 115.52 2j1k s ILE 105 Ca 0.80 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 2j1k s ILE 105 Cb -0.36 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 2j1k s ILE 105 CO 0.39 -0.57 0.02 0.20 0.24 0.00 0.00 174.94 175.22 2j1k s ASN 106 N -2.51 5.30 -0.38 4.36 0.01 -0.13 -0.80 114.94 120.78 2j1k s ASN 106 Ca 0.07 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 2j1k s ASN 106 Cb -0.02 -1.44 0.11 0.00 0.41 0.00 0.00 41.25 40.30 2j1k s ASN 106 CO 0.00 0.29 0.11 -0.69 -1.51 0.00 0.00 177.10 175.30 2j1k s VAL 107 N -1.09 2.21 0.53 1.60 1.01 0.16 -2.58 120.40 122.24 2j1k s VAL 107 Ca 0.20 -2.51 -0.14 0.00 0.00 0.00 0.00 61.98 59.53 2j1k s VAL 107 Cb -0.12 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 2j1k s VAL 107 CO 0.10 -0.66 0.96 0.42 0.00 0.00 0.00 175.10 175.92 2j1k s THR 108 N 0.66 4.63 -1.10 3.92 -4.23 -0.38 -1.53 115.64 117.61 2j1k s THR 108 Ca 0.13 1.00 -0.20 0.00 -1.18 0.00 0.00 61.69 61.44 2j1k s THR 108 Cb -0.21 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 69.86 2j1k s THR 108 CO -0.07 -0.81 0.77 -3.20 -0.54 0.00 0.00 174.62 170.76 2j1k n ASN 109 N -1.92 -5.34 -4.71 3.99 5.15 -1.13 -4.86 115.26 106.44 2j1k n ASN 109 Ca 0.06 -0.99 -0.42 0.00 -0.60 0.00 0.00 54.58 52.63 2j1k n ASN 109 Cb 0.54 -3.18 -0.03 0.00 -0.53 0.00 0.00 39.78 36.58 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 -6.31 4.38 0.55 1.20 1.43 0.53 -4.61 118.68 115.84 2j1k s LEU 110 Ca 0.42 2.86 0.06 0.00 -1.03 0.00 0.00 54.13 56.43 2j1k s LEU 110 Cb -0.16 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.51 2j1k s LEU 110 CO 0.87 -0.99 0.43 -1.10 0.23 0.00 0.00 176.35 175.79 2j1k s GLN 111 N 1.46 2.25 0.42 1.70 -1.52 -1.26 -0.64 119.66 122.07 2j1k s GLN 111 Ca 0.76 -2.00 0.25 0.00 -1.95 0.00 0.00 55.36 52.42 2j1k s GLN 111 Cb -0.49 -2.13 0.59 0.00 -0.22 0.00 0.00 33.01 30.76 2j1k s GLN 111 CO 0.33 -0.64 1.70 -0.07 -0.25 0.00 0.00 175.29 176.35 2j1k h LEU 112 N 0.71 0.00 -0.00 2.90 3.38 -1.95 -3.03 115.31 117.31 2j1k h LEU 112 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2j1k h LEU 112 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2j1k h LEU 112 CO 0.56 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 2j1k n SER 113 N -2.96 0.02 -0.11 -0.43 3.41 -1.26 -3.30 113.62 108.99 2j1k n SER 113 Ca 0.04 0.50 0.15 0.00 -0.26 0.00 0.00 58.87 59.30 2j1k n SER 113 Cb 0.47 -0.51 0.84 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.52 0.35 -4.71 4.04 8.00 -1.15 -4.84 116.55 116.73 2j1k n ASP 114 Ca 0.06 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 2j1k n ASP 114 Cb 0.32 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 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 3.10 -3.40 0.53 1.01 -1.21 -4.89 121.20 114.35 2j1k s ILE 115 Ca 0.45 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2j1k s ILE 115 Cb 0.22 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2j1k s ILE 115 CO 0.36 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2j1k n GLY 116 N 3.68 -1.73 3.65 6.18 0.00 -1.04 -1.75 105.19 114.18 2j1k n GLY 116 Ca 0.13 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.62 5.23 -0.22 2.61 2.01 -0.71 -1.18 115.64 120.77 2j1k s THR 117 Ca 0.00 0.55 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 2j1k s THR 117 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2j1k s THR 117 CO 0.00 0.25 0.07 -0.31 -0.69 0.00 0.00 174.62 173.93 2j1k s TYR 118 N 1.47 3.16 -0.11 4.92 2.02 0.22 -0.78 117.35 128.24 2j1k s TYR 118 Ca 0.15 -0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.69 2j1k s TYR 118 Cb -0.15 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2j1k s TYR 118 CO 0.08 -0.10 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.71 2j1k s GLN 119 N 1.00 3.22 -0.29 -0.62 0.74 -0.23 0.03 119.66 123.51 2j1k s GLN 119 Ca 0.04 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 54.73 2j1k s GLN 119 Cb -0.14 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 2j1k s GLN 119 CO 0.03 0.34 0.10 0.00 -0.55 0.00 0.00 175.29 175.21 2j1k s LYS 121 N 1.57 3.57 -0.19 0.00 1.02 0.58 -0.64 119.74 125.65 2j1k s LYS 121 Ca 0.04 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2j1k s LYS 121 Cb -0.17 -3.19 -0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2j1k s LYS 121 CO 0.04 -0.15 -0.10 0.08 -0.92 0.00 0.00 175.35 174.30 2j1k s VAL 122 N 1.45 3.00 -0.05 3.17 1.01 0.10 -1.19 120.40 127.89 2j1k s VAL 122 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2j1k s VAL 122 Cb -0.15 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2j1k s VAL 122 CO 0.01 0.47 -0.21 -0.54 0.00 0.00 0.00 175.10 174.84 2j1k s LYS 123 N 1.16 2.48 -0.34 2.72 1.02 0.50 -1.31 119.74 125.97 2j1k s LYS 123 Ca 0.01 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.22 2j1k s LYS 123 Cb -0.14 -2.24 0.16 0.00 -0.52 0.00 0.00 37.83 35.09 2j1k s LYS 123 CO -0.03 0.50 0.43 0.21 -0.92 0.00 0.00 175.35 175.54 2j1k s LYS 124 N -0.44 0.57 0.24 1.68 2.20 -0.66 -0.75 119.74 122.59 2j1k s LYS 124 Ca 0.05 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.04 2j1k s LYS 124 Cb -0.12 -0.40 -0.14 0.00 -1.51 0.00 0.00 37.83 35.67 2j1k s LYS 124 CO 0.01 -1.12 1.28 0.00 -0.36 0.00 0.00 175.35 175.16 2j1k n ALA 125 N 4.78 0.50 1.75 3.13 0.00 -1.26 -1.15 120.51 128.26 2j1k n ALA 125 Ca 0.06 0.41 0.15 0.00 0.00 0.00 0.00 53.44 54.07 2j1k n ALA 125 Cb 0.49 -2.18 0.77 0.00 0.00 0.00 0.00 19.45 18.53 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 1.60 1.16 -2.20 0.00 -0.04 -1.26 -0.79 135.00 133.47 2j1k n PRO 126 Ca 0.11 -0.34 -0.40 0.00 -0.04 0.00 0.00 63.50 62.84 2j1k n PRO 126 Cb 0.30 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.07 2.95 -0.11 0.55 0.00 -0.30 -5.05 107.32 103.30 2j1k s GLY 127 Ca 0.42 1.12 -0.06 0.00 0.00 0.00 0.00 44.72 46.20 2j1k s GLY 127 CO 0.37 1.70 0.26 0.14 0.00 0.00 0.00 173.10 175.57 2j1k s VAL 128 N -1.25 -0.03 0.02 1.40 1.01 -1.26 -1.65 120.40 118.63 2j1k s VAL 128 Ca 0.53 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2j1k s VAL 128 Cb -0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2j1k s VAL 128 CO 0.46 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.63 2j1k s ALA 129 N 1.11 0.03 0.02 5.51 0.00 -0.43 -4.85 121.76 123.15 2j1k s ALA 129 Ca -0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2j1k s ALA 129 Cb -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2j1k s ALA 129 CO -0.08 -0.19 0.08 0.54 0.00 0.00 0.00 175.76 176.12 2j1k s ASN 130 N -1.56 0.13 -0.02 0.00 4.22 -1.26 -0.72 114.94 115.74 2j1k s ASN 130 Ca -0.14 -0.40 0.02 0.00 -2.14 0.00 0.00 52.86 50.20 2j1k s ASN 130 Cb -0.08 0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.64 2j1k s ASN 130 CO -0.01 -0.41 -0.07 -0.75 -2.04 0.00 0.00 177.10 173.82 2j1k s LYS 131 N -1.89 0.72 0.08 3.55 2.20 0.19 -4.86 119.74 119.73 2j1k s LYS 131 Ca -0.11 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 2j1k s LYS 131 Cb -0.06 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.53 2j1k s LYS 131 CO -0.01 0.10 0.12 0.15 -0.36 0.00 0.00 175.35 175.35 2j1k s LYS 132 N 0.12 3.04 -0.05 4.03 1.02 -0.54 -0.03 119.74 127.32 2j1k s LYS 132 Ca -0.01 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 2j1k s LYS 132 Cb -0.06 -2.81 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2j1k s LYS 132 CO -0.00 0.57 0.10 0.42 -0.92 0.00 0.00 175.35 175.52 2j1k s ILE 133 N -1.44 -0.12 -0.44 2.17 1.01 0.10 -2.52 121.20 119.97 2j1k s ILE 133 Ca 0.31 0.30 -0.15 0.00 0.00 0.00 0.00 60.65 61.11 2j1k s ILE 133 Cb -0.12 -0.19 0.04 0.00 0.01 0.00 0.00 42.46 42.20 2j1k s ILE 133 CO 0.24 0.13 0.35 -1.00 0.00 0.00 0.00 174.94 174.65 2j1k s HIS 134 N 1.71 3.24 -0.20 3.97 3.76 -0.65 0.69 115.29 127.81 2j1k s HIS 134 Ca -0.02 -0.72 -0.14 0.00 -0.15 0.00 0.00 55.06 54.04 2j1k s HIS 134 Cb -0.12 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 2j1k s HIS 134 CO -0.04 -0.68 0.30 -1.17 -0.85 0.00 0.00 174.74 172.29 2j1k s LEU 135 N 1.69 4.18 0.09 0.89 2.96 -0.32 -1.58 118.68 126.59 2j1k s LEU 135 Ca 0.05 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.44 2j1k s LEU 135 Cb -0.21 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2j1k s LEU 135 CO 0.09 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.34 2j1k s VAL 136 N 0.92 3.28 0.00 1.68 1.01 -0.64 -2.50 120.40 124.16 2j1k s VAL 136 Ca 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2j1k s VAL 136 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2j1k s VAL 136 CO 0.05 0.17 0.00 0.52 0.00 0.00 0.00 175.10 175.84