#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 0.75 -4.10 0.00 2.43 -1.96 -3.39 114.38 108.11 2j1k h ARG 18 Ca 0.00 -0.32 -0.14 0.00 -0.81 0.00 0.00 59.98 58.71 2j1k h ARG 18 Cb 0.00 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 29.40 2j1k h ARG 18 CO 0.00 0.93 -0.37 -1.54 -1.51 0.00 0.00 179.97 177.48 2j1k s SER 19 N -6.77 0.03 -0.07 -3.80 1.04 -1.26 -4.85 113.70 98.02 2j1k s SER 19 Ca -0.09 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 54.91 2j1k s SER 19 Cb 0.13 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 2j1k s SER 19 CO 0.84 -0.98 1.80 -0.22 0.98 0.00 0.00 173.24 175.65 2j1k s LEU 20 N -3.08 4.21 0.03 2.42 0.20 -1.26 -4.42 118.68 116.79 2j1k s LEU 20 Ca 0.29 2.24 0.01 0.00 0.69 0.00 0.00 54.13 57.36 2j1k s LEU 20 Cb 0.03 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.24 2j1k s LEU 20 CO 0.10 -1.12 -0.04 -0.94 -0.29 0.00 0.00 176.35 174.06 2j1k s SER 21 N 4.29 0.49 -0.09 3.68 1.04 -0.88 -4.51 113.70 117.72 2j1k s SER 21 Ca 0.80 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 56.62 2j1k s SER 21 Cb -0.35 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 2j1k s SER 21 CO 0.34 -0.32 -0.04 -0.63 0.98 0.00 0.00 173.24 173.56 2j1k s ILE 22 N -1.89 3.93 0.04 -1.02 1.01 -1.26 -0.98 121.20 121.04 2j1k s ILE 22 Ca -0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 2j1k s ILE 22 Cb -0.07 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2j1k s ILE 22 CO -0.02 0.58 1.20 -0.89 0.00 0.00 0.00 174.94 175.81 2j1k s THR 23 N -0.60 4.09 -0.88 2.92 2.01 -0.64 -4.08 115.64 118.46 2j1k s THR 23 Ca 0.09 1.49 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 2j1k s THR 23 Cb -0.12 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2j1k s THR 23 CO 0.02 0.10 0.80 0.41 -0.69 0.00 0.00 174.62 175.25 2j1k n THR 24 N 4.05 -9.52 0.64 -0.82 -1.04 -1.26 -4.67 114.28 101.66 2j1k n THR 24 Ca 0.09 -0.80 0.05 0.00 -2.04 0.00 0.00 64.05 61.36 2j1k n THR 24 Cb 0.46 -6.67 0.30 0.00 -1.82 0.00 0.00 70.33 62.61 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 -2.49 0.32 -3.70 -2.82 -0.04 -1.26 -4.34 135.00 120.66 2j1k n PRO 25 Ca -0.04 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 2j1k n PRO 25 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.02 0.17 0.12 0.54 2.12 -1.26 -1.19 118.70 117.19 2j1k s GLU 26 Ca 0.15 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.14 2j1k s GLU 26 Cb 0.07 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 2j1k s GLU 26 CO 0.12 -0.21 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.29 2j1k s GLU 27 N 1.71 0.98 -0.16 4.30 2.02 -0.35 -5.00 118.70 122.19 2j1k s GLU 27 Ca -0.05 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 53.73 2j1k s GLU 27 Cb -0.11 -0.81 0.02 0.00 0.10 0.00 0.00 34.13 33.33 2j1k s GLU 27 CO -0.08 0.15 -0.17 -1.64 0.02 0.00 0.00 175.26 173.53 2j1k s MET 28 N -2.71 2.66 -0.04 1.61 -1.94 -1.26 -0.90 119.30 116.72 2j1k s MET 28 Ca 0.08 -0.70 0.06 0.00 -1.71 0.00 0.00 55.69 53.42 2j1k s MET 28 Cb -0.04 -2.33 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 2j1k s MET 28 CO 0.02 -0.20 -0.22 0.42 -0.01 0.00 0.00 175.02 175.03 2j1k s ILE 29 N 1.34 1.76 -0.14 2.53 1.01 0.10 -4.95 121.20 122.85 2j1k s ILE 29 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2j1k s ILE 29 Cb -0.13 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.86 2j1k s ILE 29 CO -0.11 0.50 -0.21 -1.61 0.00 0.00 0.00 174.94 173.50 2j1k s GLU 30 N -0.20 3.04 0.22 2.79 2.02 -1.26 -0.86 118.70 124.45 2j1k s GLU 30 Ca -0.00 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.19 2j1k s GLU 30 Cb -0.11 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 2j1k s GLU 30 CO 0.02 -0.01 -0.05 0.15 0.02 0.00 0.00 175.26 175.39 2j1k s LYS 31 N 0.80 1.33 0.27 1.61 -0.14 -0.24 -4.99 119.74 118.38 2j1k s LYS 31 Ca -0.07 -1.65 -0.06 0.00 -1.36 0.00 0.00 55.97 52.83 2j1k s LYS 31 Cb -0.16 -0.79 -0.06 0.00 -1.68 0.00 0.00 37.83 35.14 2j1k s LYS 31 CO -0.02 -0.00 0.55 0.00 -0.76 0.00 0.00 175.35 175.12 2j1k s ALA 32 N -3.26 3.61 0.31 5.17 0.00 -1.26 -0.94 121.76 125.39 2j1k s ALA 32 Ca 0.26 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 2j1k s ALA 32 Cb 0.04 -2.34 -0.12 0.00 0.00 0.00 0.00 23.12 20.70 2j1k s ALA 32 CO 0.08 0.34 1.47 1.17 0.00 0.00 0.00 175.76 178.82 2j1k n LYS 33 N -0.66 2.45 0.00 0.00 0.00 0.76 -1.77 118.16 118.94 2j1k n LYS 33 Ca -0.01 0.87 0.00 0.00 0.00 0.00 0.00 58.31 59.17 2j1k n LYS 33 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 35.03 32.99 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 1.47 2.92 3.70 3.14 0.00 0.17 -4.88 105.19 111.71 2j1k n GLY 34 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.45 0.41 -0.19 1.61 0.41 -0.73 -3.98 118.70 115.78 2j1k s GLU 35 Ca 0.00 0.35 -0.05 0.00 -0.41 0.00 0.00 54.97 54.86 2j1k s GLU 35 Cb 0.00 -1.75 -0.02 0.00 -1.78 0.00 0.00 34.13 30.58 2j1k s GLU 35 CO 0.00 -2.70 -0.01 0.99 -0.49 0.00 0.00 175.26 173.05 2j1k s THR 36 N -3.08 3.91 -0.24 3.63 2.01 -1.26 -0.88 115.64 119.72 2j1k s THR 36 Ca 0.66 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 2j1k s THR 36 Cb -0.16 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2j1k s THR 36 CO 0.56 0.44 0.31 0.00 -0.69 0.00 0.00 174.62 175.24 2j1k s ALA 37 N 0.89 3.57 -0.41 7.40 0.00 0.08 -4.92 121.76 128.37 2j1k s ALA 37 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 2j1k s ALA 37 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.43 2j1k s ALA 37 CO 0.02 -0.41 0.57 -0.47 0.00 0.00 0.00 175.76 175.47 2j1k s TYR 38 N 1.53 3.12 -0.51 0.00 5.04 -1.26 -0.89 117.35 124.39 2j1k s TYR 38 Ca 0.14 -0.03 -0.13 0.00 -2.44 0.00 0.00 57.07 54.60 2j1k s TYR 38 Cb -0.15 -3.15 0.12 0.00 0.35 0.00 0.00 41.96 39.14 2j1k s TYR 38 CO 0.08 -0.74 0.43 -0.51 -1.34 0.00 0.00 175.55 173.47 2j1k s LEU 39 N 2.58 5.95 0.27 6.97 1.43 -0.18 -5.01 118.68 130.70 2j1k s LEU 39 Ca 0.20 -1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 51.22 2j1k s LEU 39 Cb -0.15 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 2j1k s LEU 39 CO 0.16 -0.78 1.20 -2.84 0.23 0.00 0.00 176.35 174.32 2j1k s PRO 40 N 1.52 4.51 -0.43 1.29 0.02 -1.26 -2.33 135.00 138.31 2j1k s PRO 40 Ca 0.04 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.07 2j1k s PRO 40 Cb -0.28 -3.16 0.17 0.00 0.02 0.00 0.00 34.50 31.25 2j1k s PRO 40 CO 0.02 -0.00 0.45 0.00 -0.33 0.00 0.00 177.00 177.14 2j1k s LYS 42 N 0.62 4.09 0.08 0.00 -0.14 -1.26 0.11 119.74 123.25 2j1k s LYS 42 Ca 0.28 0.17 0.04 0.00 -1.36 0.00 0.00 55.97 55.10 2j1k s LYS 42 Cb -0.02 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.74 2j1k s LYS 42 CO -0.11 0.40 -0.12 -0.59 -0.76 0.00 0.00 175.35 174.17 2j1k s PHE 43 N -0.04 1.09 -0.11 3.18 -0.12 0.20 -1.62 117.98 120.56 2j1k s PHE 43 Ca 0.19 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 2j1k s PHE 43 Cb -0.14 -0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2j1k s PHE 43 CO 0.07 0.02 -0.17 0.99 -0.05 0.00 0.00 175.22 176.08 2j1k s THR 44 N -1.84 2.68 0.23 -4.49 2.01 -0.15 -4.44 115.64 109.64 2j1k s THR 44 Ca 0.01 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2j1k s THR 44 Cb -0.07 -2.08 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 2j1k s THR 44 CO 0.01 0.54 0.53 -0.76 -0.69 0.00 0.00 174.62 174.25 2j1k s LEU 45 N 0.20 4.16 0.31 4.42 1.43 -1.26 -2.08 118.68 125.86 2j1k s LEU 45 Ca -0.11 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 2j1k s LEU 45 Cb -0.16 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2j1k s LEU 45 CO 0.06 -0.08 0.37 -0.94 0.23 0.00 0.00 176.35 175.99 2j1k s SER 46 N -2.55 5.77 0.55 2.29 1.04 -1.26 -3.03 113.70 116.51 2j1k s SER 46 Ca 0.46 -0.25 0.27 0.00 0.48 0.00 0.00 55.95 56.90 2j1k s SER 46 Cb -0.11 -1.25 1.59 0.00 0.10 0.00 0.00 66.02 66.35 2j1k s SER 46 CO 0.24 -0.32 2.17 1.55 0.98 0.00 0.00 173.24 177.85 2j1k h PRO 47 N 1.10 0.00 0.00 4.02 0.13 -1.89 -2.67 132.00 132.69 2j1k h PRO 47 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2j1k h PRO 47 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2j1k h PRO 47 CO 0.56 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 2j1k n GLU 48 N -3.87 0.16 -2.47 0.86 0.28 -1.26 -4.63 120.64 109.71 2j1k n GLU 48 Ca -0.03 0.18 -0.39 0.00 -0.16 0.00 0.00 57.16 56.76 2j1k n GLU 48 Cb 0.15 -1.70 -0.02 0.00 1.43 0.00 0.00 31.44 31.29 2j1k n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2j1k s ASP 49 N -3.95 6.38 0.00 -1.84 1.01 -1.01 -4.27 116.67 112.99 2j1k s ASP 49 Ca 0.11 -1.95 0.16 0.00 0.71 0.00 0.00 52.55 51.58 2j1k s ASP 49 Cb 0.14 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.65 2j1k s ASP 49 CO 0.53 -1.63 1.06 0.00 0.21 0.00 0.00 175.17 175.34 2j1k n GLN 50 N 8.55 1.44 -2.10 8.23 1.13 -0.51 -4.83 117.38 129.28 2j1k n GLN 50 Ca 0.43 -1.56 -0.28 0.00 -1.94 0.00 0.00 57.00 53.65 2j1k n GLN 50 Cb 0.48 -1.32 0.18 0.00 0.11 0.00 0.00 30.24 29.68 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 -1.33 1.80 0.42 1.08 0.00 -0.35 -4.93 107.32 104.00 2j1k s GLY 51 Ca 0.21 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 2j1k s GLY 51 CO 0.21 -0.65 1.08 2.56 0.00 0.00 0.00 173.10 176.29 2j1k s PRO 52 N -5.75 4.04 0.04 2.90 0.04 -1.26 -4.46 135.00 130.54 2j1k s PRO 52 Ca 0.74 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 2j1k s PRO 52 Cb -0.03 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2j1k s PRO 52 CO 0.51 -0.26 1.31 -1.17 0.04 0.00 0.00 177.00 177.43 2j1k s LEU 53 N -2.80 4.34 -0.29 -3.56 2.96 -1.26 -4.34 118.68 113.73 2j1k s LEU 53 Ca 0.60 2.10 -0.03 0.00 -0.22 0.00 0.00 54.13 56.58 2j1k s LEU 53 Cb -0.23 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.00 2j1k s LEU 53 CO 0.29 -0.61 0.18 -0.62 -1.32 0.00 0.00 176.35 174.26 2j1k s ASP 54 N 1.40 2.95 -0.03 3.68 -1.08 -0.36 -4.38 116.67 118.84 2j1k s ASP 54 Ca 0.61 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.61 2j1k s ASP 54 Cb -0.31 -0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.04 2j1k s ASP 54 CO 0.28 -0.42 -0.23 -0.63 0.52 0.00 0.00 175.17 174.68 2j1k s ILE 55 N 2.18 1.85 0.01 4.11 1.01 0.07 -0.63 121.20 129.80 2j1k s ILE 55 Ca 0.09 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2j1k s ILE 55 Cb -0.15 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2j1k s ILE 55 CO -0.35 0.52 0.08 -1.83 0.00 0.00 0.00 174.94 173.37 2j1k s GLU 56 N -0.34 0.46 -0.05 2.79 -1.05 -0.47 -0.09 118.70 119.95 2j1k s GLU 56 Ca 0.03 -0.54 0.04 0.00 -0.15 0.00 0.00 54.97 54.35 2j1k s GLU 56 Cb -0.11 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2j1k s GLU 56 CO 0.01 -0.10 -0.17 -1.58 0.95 0.00 0.00 175.26 174.37 2j1k s TRP 57 N -1.68 2.64 0.25 4.83 0.52 -0.24 -0.67 118.94 124.59 2j1k s TRP 57 Ca -0.13 -0.29 0.10 0.00 0.02 0.00 0.00 56.10 55.80 2j1k s TRP 57 Cb -0.07 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 2j1k s TRP 57 CO -0.00 0.08 -0.18 -0.51 0.02 0.00 0.00 176.95 176.36 2j1k s LEU 58 N -0.55 2.57 -0.03 2.99 1.43 -0.27 -0.82 118.68 123.99 2j1k s LEU 58 Ca 0.08 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 2j1k s LEU 58 Cb -0.11 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2j1k s LEU 58 CO 0.01 -0.03 -0.12 -0.51 0.23 0.00 0.00 176.35 175.92 2j1k s ILE 59 N -2.63 1.06 -0.51 -0.59 -1.16 0.12 -1.27 121.20 116.21 2j1k s ILE 59 Ca 0.27 -0.51 0.01 0.00 -0.51 0.00 0.00 60.65 59.91 2j1k s ILE 59 Cb -0.04 -0.93 0.13 0.00 0.61 0.00 0.00 42.46 42.24 2j1k s ILE 59 CO 0.12 0.32 0.28 -0.44 -2.81 0.00 0.00 174.94 172.40 2j1k s SER 60 N 0.15 4.85 0.37 4.50 0.01 0.05 -0.90 113.70 122.73 2j1k s SER 60 Ca -0.04 -2.66 -0.26 0.00 1.31 0.00 0.00 55.95 54.30 2j1k s SER 60 Cb -0.10 -1.74 -0.09 0.00 0.21 0.00 0.00 66.02 64.30 2j1k s SER 60 CO 0.01 -0.35 1.11 -2.16 0.41 0.00 0.00 173.24 172.26 2j1k s PRO 61 N 0.21 4.26 0.32 12.44 0.04 -1.25 -1.26 135.00 149.75 2j1k s PRO 61 Ca 0.15 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.01 2j1k s PRO 61 Cb -0.22 -2.77 0.53 0.00 0.04 0.00 0.00 34.50 32.08 2j1k s PRO 61 CO -0.03 -0.11 1.72 0.00 0.04 0.00 0.00 177.00 178.62 2j1k h ALA 62 N 2.92 1.18 -0.90 8.56 0.00 -1.57 -3.21 119.26 126.24 2j1k h ALA 62 Ca -0.48 -0.43 0.25 0.00 0.00 0.00 0.00 54.91 54.25 2j1k h ALA 62 Cb 1.22 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 2j1k h ALA 62 CO 0.64 0.60 0.27 -0.44 0.00 0.00 0.00 179.25 180.31 2j1k h ASP 63 N 0.05 0.03 -5.41 0.00 5.19 -1.85 -3.46 116.42 110.97 2j1k h ASP 63 Ca -0.00 0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.47 2j1k h ASP 63 Cb 0.85 0.27 -0.12 0.00 0.18 0.00 0.00 39.33 40.50 2j1k h ASP 63 CO 0.06 -0.18 -0.38 0.54 -3.12 0.00 0.00 179.24 176.17 2j1k s ASN 64 N -5.04 0.04 0.00 6.45 2.20 -1.21 -5.04 114.94 112.33 2j1k s ASN 64 Ca -0.12 -1.15 0.17 0.00 -0.94 0.00 0.00 52.86 50.83 2j1k s ASN 64 Cb 0.27 0.47 0.76 0.00 -2.00 0.00 0.00 41.25 40.75 2j1k s ASN 64 CO 0.77 -0.97 1.55 0.00 -2.94 0.00 0.00 177.10 175.51 2j1k n GLN 65 N -0.31 0.04 -2.03 3.55 1.13 -1.26 -4.65 117.38 113.84 2j1k n GLN 65 Ca -0.00 0.19 -0.41 0.00 -1.94 0.00 0.00 57.00 54.84 2j1k n GLN 65 Cb 0.64 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.47 2j1k n GLN 65 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2j1k s LYS 66 N -2.94 4.29 0.05 -1.09 1.02 -1.26 -5.03 119.74 114.78 2j1k s LYS 66 Ca 0.10 2.31 0.02 0.00 0.02 0.00 0.00 55.97 58.42 2j1k s LYS 66 Cb 0.11 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2j1k s LYS 66 CO 0.31 -0.29 -0.07 0.08 -0.92 0.00 0.00 175.35 174.46 2j1k s VAL 67 N -1.09 0.54 -1.39 3.17 1.01 -1.26 -3.95 120.40 117.43 2j1k s VAL 67 Ca 0.50 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2j1k s VAL 67 Cb -0.42 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2j1k s VAL 67 CO 0.55 -0.49 0.41 0.47 0.00 0.00 0.00 175.10 176.04 2j1k n ASP 68 N 1.17 -0.65 -4.62 3.32 8.00 -1.12 -4.91 116.55 117.73 2j1k n ASP 68 Ca -0.21 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 53.86 2j1k n ASP 68 Cb 0.56 -2.88 -0.09 0.00 -0.02 0.00 0.00 41.12 38.69 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 -6.62 4.06 0.29 -1.24 -1.52 -0.08 -4.80 119.66 109.75 2j1k s GLN 69 Ca 0.05 0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.27 2j1k s GLN 69 Cb -0.02 -3.63 -0.11 0.00 -0.22 0.00 0.00 33.01 29.03 2j1k s GLN 69 CO 0.90 -0.23 1.61 0.54 -0.25 0.00 0.00 175.29 177.86 2j1k s VAL 70 N 1.93 2.02 -0.05 1.09 0.11 -1.26 0.11 120.40 124.34 2j1k s VAL 70 Ca 0.17 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 2j1k s VAL 70 Cb -0.15 -3.01 -0.07 0.00 -1.53 0.00 0.00 36.38 31.61 2j1k s VAL 70 CO 0.09 0.00 0.03 2.30 -3.33 0.00 0.00 175.10 174.19 2j1k n ILE 71 N 2.21 0.36 -3.57 7.04 -5.35 0.00 -3.96 119.36 116.10 2j1k n ILE 71 Ca 0.08 -0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.18 2j1k n ILE 71 Cb 0.37 -0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.16 0.00 0.01 7.28 2.07 -1.19 -4.57 121.20 122.63 2j1k s ILE 72 Ca -0.03 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.14 2j1k s ILE 72 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.61 2j1k s ILE 72 CO 0.24 0.00 0.14 -1.48 -1.91 0.00 0.00 174.94 171.93 2j1k s LEU 73 N -0.65 1.54 -0.15 8.50 0.05 -0.24 -1.08 118.68 126.65 2j1k s LEU 73 Ca -0.06 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 53.88 2j1k s LEU 73 Cb -0.02 0.71 0.02 0.00 -2.05 0.00 0.00 46.19 44.86 2j1k s LEU 73 CO 0.05 -0.40 -0.14 -0.47 -0.55 0.00 0.00 176.35 174.84 2j1k s TYR 74 N -1.61 2.16 -0.22 3.48 5.04 0.87 -0.82 117.35 126.26 2j1k s TYR 74 Ca -0.13 -1.21 -0.25 0.00 -2.44 0.00 0.00 57.07 53.04 2j1k s TYR 74 Cb -0.06 -1.59 0.07 0.00 0.35 0.00 0.00 41.96 40.73 2j1k s TYR 74 CO 0.01 -0.66 0.69 0.45 -1.34 0.00 0.00 175.55 174.69 2j1k s SER 75 N 1.47 -0.71 -1.60 4.32 0.15 -0.63 -0.75 113.70 115.95 2j1k s SER 75 Ca 0.05 1.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.95 2j1k s SER 75 Cb -0.13 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2j1k s SER 75 CO -0.10 -0.31 0.03 0.61 1.20 0.00 0.00 173.24 174.67 2j1k n GLY 76 N 2.37 -0.50 2.47 9.45 0.00 -1.26 -1.12 105.19 116.60 2j1k n GLY 76 Ca -0.15 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.99 -5.42 -4.25 1.61 8.00 -1.26 -5.00 116.55 108.24 2j1k n ASP 77 Ca -0.22 0.26 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 2j1k n ASP 77 Cb 0.67 -4.55 -0.12 0.00 -0.02 0.00 0.00 41.12 37.10 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 -4.22 1.04 -0.17 -1.24 1.02 -0.28 -5.14 119.74 110.74 2j1k s LYS 78 Ca 0.00 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 54.78 2j1k s LYS 78 Cb 0.00 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.09 2j1k s LYS 78 CO 0.00 0.26 0.12 0.42 -0.92 0.00 0.00 175.35 175.24 2j1k s ILE 79 N -1.35 5.34 -0.17 2.17 1.01 -1.26 -1.60 121.20 125.34 2j1k s ILE 79 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2j1k s ILE 79 Cb -0.09 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 39.00 2j1k s ILE 79 CO 0.04 0.50 -0.19 -0.31 0.00 0.00 0.00 174.94 174.97 2j1k s TYR 80 N -0.06 2.64 -0.07 3.97 2.02 0.00 -4.99 117.35 120.85 2j1k s TYR 80 Ca 0.10 -1.52 0.24 0.00 -0.37 0.00 0.00 57.07 55.52 2j1k s TYR 80 Cb -0.11 -1.84 0.45 0.00 -0.40 0.00 0.00 41.96 40.06 2j1k s TYR 80 CO 0.00 -0.75 1.16 -0.40 -1.57 0.00 0.00 175.55 173.99 2j1k n ASP 81 N 4.56 1.22 -2.51 2.29 5.68 -1.26 -1.08 116.55 125.44 2j1k n ASP 81 Ca -0.20 -2.11 -0.18 0.00 -0.50 0.00 0.00 54.79 51.80 2j1k n ASP 81 Cb 0.50 -0.35 0.02 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.15 3.41 -0.10 -1.12 2.03 -1.26 -4.78 116.55 114.87 2j1k n ASP 82 Ca 0.07 -3.24 -0.15 0.00 0.52 0.00 0.00 54.79 51.99 2j1k n ASP 82 Cb 1.04 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.39 0.00 -3.60 -0.67 4.01 -1.26 -4.91 117.16 110.34 2j1k n TYR 83 Ca 0.27 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.61 2j1k n TYR 83 Cb 0.77 -0.78 -0.09 0.00 -0.31 0.00 0.00 39.34 38.92 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 -2.40 3.40 0.43 -0.72 5.04 -1.25 -4.99 117.35 116.85 2j1k s TYR 84 Ca -0.28 -1.77 0.12 0.00 -2.44 0.00 0.00 57.07 52.71 2j1k s TYR 84 Cb 0.08 -3.23 0.99 0.00 0.35 0.00 0.00 41.96 40.15 2j1k s TYR 84 CO 0.45 -0.93 1.99 -1.00 -1.34 0.00 0.00 175.55 174.72 2j1k h PRO 85 N 8.39 0.43 0.00 4.97 0.13 -1.95 -0.90 132.00 143.08 2j1k h PRO 85 Ca -0.21 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2j1k h PRO 85 Cb 1.07 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2j1k h PRO 85 CO 0.80 0.29 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.31 2j1k h ASP 86 N 0.45 0.00 -0.54 1.44 3.32 -2.02 -2.81 116.42 116.26 2j1k h ASP 86 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2j1k h ASP 86 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2j1k h ASP 86 CO -0.07 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 2j1k n LEU 87 N -3.92 4.88 -4.67 1.55 4.77 -0.35 -4.92 117.00 114.34 2j1k n LEU 87 Ca -0.02 -2.70 -0.42 0.00 -0.03 0.00 0.00 56.01 52.83 2j1k n LEU 87 Cb 0.20 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2j1k n LEU 87 CO 0.32 0.72 1.54 -0.75 -1.33 0.00 0.00 177.39 177.88 2j1k s LYS 88 N -2.31 4.14 0.00 3.23 2.47 -1.06 -1.61 119.74 124.60 2j1k s LYS 88 Ca 0.49 2.57 0.00 0.00 -1.56 0.00 0.00 55.97 57.48 2j1k s LYS 88 Cb 0.35 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 2j1k s LYS 88 CO 0.18 -0.91 0.00 0.41 0.16 0.00 0.00 175.35 175.19 2j1k n GLY 89 N 4.41 0.37 0.00 5.54 0.00 -1.26 -4.85 105.19 109.40 2j1k n GLY 89 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.80 2.11 -4.88 1.61 1.74 -0.64 -4.94 116.66 109.87 2j1k n ARG 90 Ca 0.00 -0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 56.55 2j1k n ARG 90 Cb 0.14 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.38 1.47 -0.06 1.55 1.01 -1.21 -0.18 120.40 122.60 2j1k s VAL 91 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2j1k s VAL 91 Cb 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.19 2j1k s VAL 91 CO 0.00 0.42 0.54 -1.38 0.00 0.00 0.00 175.10 174.68 2j1k s HIS 92 N -0.15 -0.50 0.21 5.22 -3.43 -0.76 -4.98 115.29 110.90 2j1k s HIS 92 Ca 0.00 0.91 -0.30 0.00 -0.80 0.00 0.00 55.06 54.87 2j1k s HIS 92 Cb -0.10 0.28 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 2j1k s HIS 92 CO 0.01 -0.49 1.40 -0.06 -2.00 0.00 0.00 174.74 173.60 2j1k s PHE 93 N -1.01 3.13 0.00 0.38 0.08 -1.26 -0.45 117.98 118.85 2j1k s PHE 93 Ca -0.10 1.04 0.02 0.00 0.12 0.00 0.00 56.93 58.01 2j1k s PHE 93 Cb -0.02 -3.75 -0.25 0.00 -0.57 0.00 0.00 43.02 38.43 2j1k s PHE 93 CO 0.07 -2.46 0.85 1.79 -0.10 0.00 0.00 175.22 175.37 2j1k h THR 94 N 3.73 1.14 -3.74 0.64 1.35 -1.64 -3.46 112.91 110.93 2j1k h THR 94 Ca -0.45 -2.85 -0.51 0.00 -0.55 0.00 0.00 66.41 62.06 2j1k h THR 94 Cb 1.21 2.67 0.01 0.00 -1.73 0.00 0.00 68.15 70.32 2j1k h THR 94 CO 0.80 0.77 0.46 -0.55 -0.25 0.00 0.00 175.52 176.75 2j1k s SER 95 N -6.72 7.32 0.41 5.36 0.15 -1.26 -4.94 113.70 114.02 2j1k s SER 95 Ca -0.07 2.19 0.22 0.00 0.70 0.00 0.00 55.95 58.99 2j1k s SER 95 Cb 0.08 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.54 2j1k s SER 95 CO 0.83 -0.12 1.76 -0.55 1.20 0.00 0.00 173.24 176.36 2j1k h ASN 96 N 4.16 0.00 -3.01 5.45 7.08 -1.94 -3.37 115.58 123.95 2j1k h ASN 96 Ca -0.46 0.00 -0.61 0.00 -3.08 0.00 0.00 56.30 52.15 2j1k h ASN 96 Cb 1.21 0.00 -0.40 0.00 -2.08 0.00 0.00 38.32 37.05 2j1k h ASN 96 CO 0.68 0.27 -0.76 -0.62 -2.08 0.00 0.00 177.43 174.92 2j1k s ASP 97 N -6.25 3.34 0.12 6.14 2.15 -1.26 -5.01 116.67 115.90 2j1k s ASP 97 Ca 0.01 -3.17 -0.13 0.00 0.43 0.00 0.00 52.55 49.69 2j1k s ASP 97 Cb 0.10 -1.04 -0.07 0.00 -0.30 0.00 0.00 42.92 41.61 2j1k s ASP 97 CO 0.66 -0.18 1.44 0.25 -0.17 0.00 0.00 175.17 177.17 2j1k h LEU 98 N 5.95 0.89 -2.57 -1.34 6.46 -1.79 -2.83 115.31 120.08 2j1k h LEU 98 Ca 0.13 -0.48 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2j1k h LEU 98 Cb 0.86 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2j1k h LEU 98 CO 0.52 1.18 0.11 0.07 -0.62 0.00 0.00 178.44 179.71 2j1k h LYS 99 N 0.61 0.00 0.00 1.25 2.10 -1.95 -2.54 116.57 116.04 2j1k h LYS 99 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2j1k h LYS 99 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2j1k h LYS 99 CO 0.09 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 177.99 2j1k n SER 100 N -3.29 0.00 0.00 7.07 2.88 -1.07 -4.81 113.62 114.40 2j1k n SER 100 Ca -0.02 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2j1k n SER 100 Cb 0.19 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.46 1.52 2.83 0.46 0.00 -0.98 -5.00 105.19 104.47 2j1k n GLY 101 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.85 4.23 -0.10 1.61 -1.08 -1.04 -0.63 116.67 117.82 2j1k s ASP 102 Ca 0.00 -1.98 0.18 0.00 -0.52 0.00 0.00 52.55 50.24 2j1k s ASP 102 Cb 0.00 -1.16 0.71 0.00 -1.46 0.00 0.00 42.92 41.01 2j1k s ASP 102 CO 0.00 -0.38 1.61 0.00 0.52 0.00 0.00 175.17 176.92 2j1k n ALA 103 N 4.43 3.03 -1.58 3.66 0.00 0.12 -4.49 120.51 125.68 2j1k n ALA 103 Ca 0.01 -1.53 -0.35 0.00 0.00 0.00 0.00 53.44 51.57 2j1k n ALA 103 Cb 0.41 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.89 4.77 0.13 0.00 0.01 -1.21 -4.58 113.70 111.92 2j1k s SER 104 Ca 0.50 2.36 0.05 0.00 1.31 0.00 0.00 55.95 60.18 2j1k s SER 104 Cb 0.32 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2j1k s SER 104 CO 0.25 -1.88 -0.12 0.27 0.41 0.00 0.00 173.24 172.17 2j1k s ILE 105 N -1.79 1.24 -0.13 1.44 -4.36 -0.98 -1.61 121.20 115.00 2j1k s ILE 105 Ca 0.76 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 59.25 2j1k s ILE 105 Cb -0.30 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 2j1k s ILE 105 CO 0.39 -0.55 0.09 0.20 0.24 0.00 0.00 174.94 175.31 2j1k s ASN 106 N -2.72 5.97 -0.34 4.36 0.01 0.41 -1.01 114.94 121.62 2j1k s ASN 106 Ca 0.11 0.29 -0.02 0.00 -0.71 0.00 0.00 52.86 52.54 2j1k s ASN 106 Cb -0.02 -1.92 0.07 0.00 0.41 0.00 0.00 41.25 39.79 2j1k s ASN 106 CO 0.02 0.33 0.08 -0.69 -1.51 0.00 0.00 177.10 175.33 2j1k s VAL 107 N -0.56 3.11 0.37 1.60 1.01 -0.07 -1.83 120.40 124.03 2j1k s VAL 107 Ca 0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 2j1k s VAL 107 Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2j1k s VAL 107 CO 0.02 -0.33 0.64 0.42 0.00 0.00 0.00 175.10 175.85 2j1k s THR 108 N 1.21 4.98 -0.86 3.92 -4.23 0.75 -0.74 115.64 120.67 2j1k s THR 108 Ca 0.00 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2j1k s THR 108 Cb -0.21 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2j1k s THR 108 CO -0.02 -0.54 0.66 -3.20 -0.54 0.00 0.00 174.62 170.98 2j1k n ASN 109 N -1.51 -5.65 -4.77 3.99 5.15 -1.08 -4.85 115.26 106.53 2j1k n ASN 109 Ca -0.01 -0.76 -0.41 0.00 -0.60 0.00 0.00 54.58 52.80 2j1k n ASN 109 Cb 0.55 -2.84 -0.01 0.00 -0.53 0.00 0.00 39.78 36.95 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 -5.03 4.36 0.27 1.20 1.43 -0.06 -4.65 118.68 116.21 2j1k s LEU 110 Ca 0.08 2.90 0.11 0.00 -1.03 0.00 0.00 54.13 56.19 2j1k s LEU 110 Cb -0.04 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2j1k s LEU 110 CO 0.86 -0.73 -0.14 -1.10 0.23 0.00 0.00 176.35 175.46 2j1k s GLN 111 N -1.91 1.87 0.54 1.70 -1.52 -1.26 -0.66 119.66 118.41 2j1k s GLN 111 Ca 0.51 -1.66 0.32 0.00 -1.95 0.00 0.00 55.36 52.59 2j1k s GLN 111 Cb -0.44 -1.89 1.24 0.00 -0.22 0.00 0.00 33.01 31.71 2j1k s GLN 111 CO 0.58 0.34 1.94 -0.07 -0.25 0.00 0.00 175.29 177.84 2j1k h LEU 112 N 2.17 0.00 -1.02 2.90 3.38 -1.96 -2.00 115.31 118.78 2j1k h LEU 112 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2j1k h LEU 112 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2j1k h LEU 112 CO 0.60 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.90 2j1k h SER 113 N 0.00 0.00 0.70 -0.43 4.64 -1.97 -3.09 113.55 113.40 2j1k h SER 113 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j1k h SER 113 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2j1k h SER 113 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2j1k n ASP 114 N -2.55 0.00 -4.70 4.97 8.00 -0.75 -4.74 116.55 116.78 2j1k n ASP 114 Ca 0.01 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 2j1k n ASP 114 Cb 0.25 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.79 2.76 -1.90 0.53 1.01 -1.17 -4.89 121.20 114.75 2j1k s ILE 115 Ca 0.19 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2j1k s ILE 115 Cb 0.17 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2j1k s ILE 115 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2j1k n GLY 116 N 4.02 -1.37 3.51 6.18 0.00 -1.09 -1.48 105.19 114.95 2j1k n GLY 116 Ca 0.16 -0.99 -0.38 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 -2.84 4.87 -0.16 2.61 2.01 -0.39 -1.68 115.64 120.07 2j1k s THR 117 Ca 0.00 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2j1k s THR 117 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2j1k s THR 117 CO 0.00 0.19 0.16 -0.31 -0.69 0.00 0.00 174.62 173.97 2j1k s TYR 118 N 1.68 3.50 -0.12 4.92 2.02 0.84 -0.77 117.35 129.42 2j1k s TYR 118 Ca 0.06 0.46 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 2j1k s TYR 118 Cb -0.16 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.31 2j1k s TYR 118 CO 0.08 0.47 -0.18 -1.14 -1.57 0.00 0.00 175.55 173.21 2j1k s GLN 119 N -0.22 2.58 -0.32 -0.62 0.74 -0.40 0.22 119.66 121.64 2j1k s GLN 119 Ca 0.12 -0.69 -0.12 0.00 0.05 0.00 0.00 55.36 54.72 2j1k s GLN 119 Cb -0.12 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 2j1k s GLN 119 CO 0.02 -0.05 0.22 0.00 -0.55 0.00 0.00 175.29 174.93 2j1k s LYS 121 N 1.73 3.58 -0.17 0.00 1.02 0.15 -0.98 119.74 125.08 2j1k s LYS 121 Ca 0.06 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 2j1k s LYS 121 Cb -0.17 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2j1k s LYS 121 CO 0.11 -0.20 -0.10 0.08 -0.92 0.00 0.00 175.35 174.32 2j1k s VAL 122 N 1.59 3.13 -0.06 3.17 1.01 -0.35 -1.37 120.40 127.52 2j1k s VAL 122 Ca 0.06 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2j1k s VAL 122 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2j1k s VAL 122 CO 0.02 0.48 -0.24 -0.54 0.00 0.00 0.00 175.10 174.83 2j1k s LYS 123 N 0.90 2.55 -0.35 2.72 1.02 0.20 -0.97 119.74 125.80 2j1k s LYS 123 Ca -0.02 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.11 2j1k s LYS 123 Cb -0.15 -2.11 0.14 0.00 -0.52 0.00 0.00 37.83 35.19 2j1k s LYS 123 CO 0.00 0.32 0.26 0.21 -0.92 0.00 0.00 175.35 175.22 2j1k s LYS 124 N -0.04 0.56 0.17 1.68 2.20 -0.09 -1.22 119.74 123.00 2j1k s LYS 124 Ca -0.07 -1.17 -0.33 0.00 -0.36 0.00 0.00 55.97 54.04 2j1k s LYS 124 Cb -0.14 -1.13 -0.16 0.00 -1.51 0.00 0.00 37.83 34.89 2j1k s LYS 124 CO 0.05 -1.20 1.13 0.00 -0.36 0.00 0.00 175.35 174.97 2j1k n ALA 125 N 4.13 -1.00 1.88 3.13 0.00 -1.26 -0.51 120.51 126.88 2j1k n ALA 125 Ca 0.11 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.11 2j1k n ALA 125 Cb 0.39 -2.00 0.46 0.00 0.00 0.00 0.00 19.45 18.31 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 1.71 1.11 -2.14 0.00 -0.04 -1.26 -1.21 135.00 133.16 2j1k n PRO 126 Ca 0.15 -0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 2j1k n PRO 126 Cb 0.24 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.51 2.57 -0.09 0.55 0.00 0.33 -5.04 107.32 104.13 2j1k s GLY 127 Ca 0.25 1.21 -0.05 0.00 0.00 0.00 0.00 44.72 46.13 2j1k s GLY 127 CO 0.20 2.08 0.21 0.14 0.00 0.00 0.00 173.10 175.73 2j1k s VAL 128 N -0.27 -0.03 0.03 1.40 1.01 -1.26 -0.91 120.40 120.36 2j1k s VAL 128 Ca 0.55 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 2j1k s VAL 128 Cb -0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2j1k s VAL 128 CO 0.43 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.60 2j1k s ALA 129 N 1.01 0.10 0.07 5.51 0.00 -0.14 -4.88 121.76 123.42 2j1k s ALA 129 Ca -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2j1k s ALA 129 Cb -0.09 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2j1k s ALA 129 CO -0.06 -0.24 -0.05 0.54 0.00 0.00 0.00 175.76 175.94 2j1k s ASN 130 N -1.89 0.79 -0.01 0.00 2.20 -1.26 -1.21 114.94 113.56 2j1k s ASN 130 Ca -0.09 -0.88 0.01 0.00 -0.94 0.00 0.00 52.86 50.96 2j1k s ASN 130 Cb -0.04 0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.33 2j1k s ASN 130 CO -0.03 -0.45 -0.02 -0.75 -2.94 0.00 0.00 177.10 172.90 2j1k s LYS 131 N -3.28 0.26 -0.11 3.55 2.20 -0.15 -4.85 119.74 117.36 2j1k s LYS 131 Ca 0.04 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2j1k s LYS 131 Cb 0.02 -0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 2j1k s LYS 131 CO -0.05 0.02 -0.04 0.15 -0.36 0.00 0.00 175.35 175.06 2j1k s LYS 132 N 0.17 3.24 -0.10 4.03 1.02 -0.33 -0.91 119.74 126.85 2j1k s LYS 132 Ca -0.01 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2j1k s LYS 132 Cb -0.04 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 2j1k s LYS 132 CO -0.00 0.46 -0.16 0.42 -0.92 0.00 0.00 175.35 175.15 2j1k s ILE 133 N -0.24 1.52 -0.45 2.17 1.01 0.13 -1.22 121.20 124.13 2j1k s ILE 133 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2j1k s ILE 133 Cb -0.13 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 41.02 2j1k s ILE 133 CO 0.02 0.44 0.36 -1.00 0.00 0.00 0.00 174.94 174.77 2j1k s HIS 134 N 0.89 3.24 -0.22 3.97 3.76 -0.07 -0.12 115.29 126.74 2j1k s HIS 134 Ca -0.09 -0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 53.88 2j1k s HIS 134 Cb -0.15 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 2j1k s HIS 134 CO -0.00 -0.72 0.35 -1.17 -0.85 0.00 0.00 174.74 172.35 2j1k s LEU 135 N 1.67 4.12 -0.01 0.89 2.96 -0.67 -0.72 118.68 126.91 2j1k s LEU 135 Ca 0.05 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2j1k s LEU 135 Cb -0.22 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2j1k s LEU 135 CO 0.08 -0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.23 2j1k s VAL 136 N 1.44 3.30 -0.11 1.68 1.01 -0.04 -2.65 120.40 125.03 2j1k s VAL 136 Ca 0.16 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2j1k s VAL 136 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2j1k s VAL 136 CO 0.08 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2j1k s VAL 137 N -0.89 1.33 0.11 2.92 1.01 -1.26 -1.08 120.40 122.54 2j1k s VAL 137 Ca 0.14 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2j1k s VAL 137 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2j1k s VAL 137 CO 0.04 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.82 2j1k s LEU 138 N 1.23 3.52 0.00 3.92 1.43 -0.11 -4.87 118.68 123.79 2j1k s LEU 138 Ca -0.02 -0.19 0.32 0.00 -1.03 0.00 0.00 54.13 53.20 2j1k s LEU 138 Cb -0.14 -2.21 1.84 0.00 0.03 0.00 0.00 46.19 45.71 2j1k s LEU 138 CO -0.04 0.15 2.19 0.52 0.23 0.00 0.00 176.35 179.39