#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1j n GLY 2 N 0.00 -1.29 0.17 0.00 0.00 -1.26 -4.96 105.19 97.85 1d1j n GLY 2 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 1d1j n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1d1j h TRP 3 N -1.59 0.30 -0.02 1.61 4.06 -2.01 -2.97 115.95 115.33 1d1j h TRP 3 Ca -0.38 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.43 1d1j h TRP 3 Cb 1.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1d1j h TRP 3 CO 0.00 0.77 -0.13 0.37 -3.56 0.00 0.00 178.44 175.89 1d1j h GLN 4 N 0.18 0.03 -0.26 0.49 5.75 -1.94 -1.70 115.11 117.65 1d1j h GLN 4 Ca -0.00 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1d1j h GLN 4 Cb 1.09 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1d1j h GLN 4 CO 0.09 0.16 -0.25 0.77 -2.65 0.00 0.00 178.83 176.94 1d1j h SER 5 N 0.02 0.51 -0.15 -0.69 0.02 -1.89 -0.23 113.55 111.15 1d1j h SER 5 Ca 0.00 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1d1j h SER 5 Cb 0.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1d1j h SER 5 CO 0.02 0.76 -0.18 1.88 -1.14 0.00 0.00 176.83 178.16 1d1j h TYR 6 N 0.45 0.61 -0.57 3.45 -1.99 -1.35 -0.36 116.97 117.22 1d1j h TYR 6 Ca 0.06 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 1d1j h TYR 6 Cb 0.68 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 1d1j h TYR 6 CO 0.02 0.71 -0.02 0.28 -0.00 0.00 0.00 178.16 179.15 1d1j h VAL 7 N 0.50 1.26 -0.81 -2.88 2.07 -1.02 -2.22 116.25 113.16 1d1j h VAL 7 Ca 0.08 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1d1j h VAL 7 Cb 0.60 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1d1j h VAL 7 CO 0.04 0.42 0.34 0.44 0.02 0.00 0.00 177.57 178.83 1d1j h ASP 8 N 0.92 1.10 -0.42 0.57 3.32 -0.50 -1.80 116.42 119.62 1d1j h ASP 8 Ca 0.16 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1d1j h ASP 8 Cb 0.57 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1d1j h ASP 8 CO 0.03 0.96 0.26 -1.13 -1.72 0.00 0.00 179.24 177.64 1d1j h ASN 9 N 1.17 0.51 0.28 6.45 -1.24 -0.77 -0.93 115.58 121.05 1d1j h ASN 9 Ca 0.27 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 1d1j h ASN 9 Cb 0.19 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1d1j h ASN 9 CO -0.03 0.41 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.12 1d1j h LEU 10 N 0.56 0.09 0.00 0.34 3.38 -1.02 -2.99 115.31 115.66 1d1j h LEU 10 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1d1j h LEU 10 Cb -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1d1j h LEU 10 CO -0.03 0.42 -0.56 0.23 0.09 0.00 0.00 178.44 178.59 1d1j n MET 11 N -4.12 0.26 -0.15 1.13 2.81 -0.71 -4.51 117.12 111.83 1d1j n MET 11 Ca -0.02 0.09 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 1d1j n MET 11 Cb 0.39 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 1d1j n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d1j n ASP 13 N -5.41 0.00 0.00 0.00 5.68 -1.26 -4.91 116.55 110.65 1d1j n ASP 13 Ca 0.03 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 1d1j n ASP 13 Cb 0.32 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1d1j n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d1j n GLY 14 N 0.10 1.48 0.14 6.12 0.00 -0.87 -4.89 105.19 107.26 1d1j n GLY 14 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 1d1j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j h GLN 17 N 6.18 0.00 -2.52 0.00 3.07 -1.09 -3.45 115.11 117.30 1d1j h GLN 17 Ca -0.35 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.33 1d1j h GLN 17 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.58 1d1j h GLN 17 CO 0.55 0.00 0.08 -1.21 0.09 0.00 0.00 178.83 178.34 1d1j s GLU 18 N -3.26 1.02 0.07 0.06 2.02 -1.17 -5.03 118.70 112.42 1d1j s GLU 18 Ca 0.04 -0.06 -0.16 0.00 0.02 0.00 0.00 54.97 54.81 1d1j s GLU 18 Cb 0.10 0.47 0.03 0.00 0.10 0.00 0.00 34.13 34.83 1d1j s GLU 18 CO 0.73 -0.35 0.36 0.00 0.02 0.00 0.00 175.26 176.02 1d1j s ALA 19 N -1.95 -0.84 -0.06 5.21 0.00 -1.26 -1.16 121.76 121.69 1d1j s ALA 19 Ca -0.08 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1d1j s ALA 19 Cb -0.01 0.47 0.10 0.00 0.00 0.00 0.00 23.12 23.68 1d1j s ALA 19 CO 0.03 -0.51 0.84 0.00 0.00 0.00 0.00 175.76 176.11 1d1j s ALA 20 N -3.05 -1.83 -0.23 0.00 0.00 -0.04 -0.93 121.76 115.68 1d1j s ALA 20 Ca -0.02 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1d1j s ALA 20 Cb 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1d1j s ALA 20 CO -0.07 -0.45 -0.11 0.42 0.00 0.00 0.00 175.76 175.55 1d1j s ILE 21 N -1.83 2.51 -0.08 0.00 -1.09 -0.28 -0.53 121.20 119.91 1d1j s ILE 21 Ca -0.03 -1.11 0.03 0.00 -2.23 0.00 0.00 60.65 57.30 1d1j s ILE 21 Cb -0.00 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 1d1j s ILE 21 CO 0.00 0.25 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.13 1d1j s VAL 22 N 1.27 1.34 0.33 2.92 1.01 -0.06 -0.68 120.40 126.52 1d1j s VAL 22 Ca -0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1d1j s VAL 22 Cb -0.16 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1d1j s VAL 22 CO -0.07 0.40 1.11 -0.83 0.00 0.00 0.00 175.10 175.71 1d1j s GLY 23 N 0.63 2.96 0.00 4.51 0.00 -0.74 0.15 107.32 114.83 1d1j s GLY 23 Ca -0.15 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1d1j s GLY 23 CO 0.04 1.43 0.61 1.58 0.00 0.00 0.00 173.10 176.77 1d1j n TYR 24 N 0.73 0.00 0.00 1.90 4.11 -1.00 -3.22 117.16 119.68 1d1j n TYR 24 Ca 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1d1j n TYR 24 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 1d1j n TYR 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1d1j n ASP 26 N 0.00 0.96 -3.04 0.00 5.75 -1.26 -3.90 116.55 115.05 1d1j n ASP 26 Ca 0.00 -0.87 -0.23 0.00 -0.01 0.00 0.00 54.79 53.68 1d1j n ASP 26 Cb 0.00 0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1d1j n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d1j n ALA 27 N -0.65 3.45 -2.47 2.12 0.00 -1.26 -5.04 120.51 116.66 1d1j n ALA 27 Ca 0.13 -4.08 -0.40 0.00 0.00 0.00 0.00 53.44 49.09 1d1j n ALA 27 Cb 0.34 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1d1j n ALA 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1d1j s LYS 28 N -3.00 3.62 0.12 0.00 2.20 -1.25 -3.94 119.74 117.49 1d1j s LYS 28 Ca 0.45 -1.67 -0.26 0.00 -0.36 0.00 0.00 55.97 54.12 1d1j s LYS 28 Cb 0.32 -5.45 0.08 0.00 -1.51 0.00 0.00 37.83 31.27 1d1j s LYS 28 CO -0.11 -2.60 1.05 1.52 -0.36 0.00 0.00 175.35 174.85 1d1j s TYR 29 N 5.74 -0.09 -0.17 4.03 1.13 -1.20 -4.57 117.35 122.22 1d1j s TYR 29 Ca 0.56 -0.18 -0.29 0.00 -1.41 0.00 0.00 57.07 55.75 1d1j s TYR 29 Cb 0.02 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.48 1d1j s TYR 29 CO 0.06 -0.70 1.53 0.08 -2.51 0.00 0.00 175.55 174.01 1d1j s VAL 30 N -2.97 3.83 0.03 -3.49 1.01 -1.26 -1.79 120.40 115.75 1d1j s VAL 30 Ca 0.14 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.92 1d1j s VAL 30 Cb 0.00 -3.74 -0.32 0.00 0.00 0.00 0.00 36.38 32.32 1d1j s VAL 30 CO 0.01 -0.22 1.05 -0.50 0.00 0.00 0.00 175.10 175.44 1d1j h TRP 31 N 9.77 0.95 -1.93 5.22 4.06 -1.27 -3.48 115.95 129.27 1d1j h TRP 31 Ca -0.33 -0.64 -0.02 0.00 2.06 0.00 0.00 58.89 59.96 1d1j h TRP 31 Cb 1.14 -0.06 -0.20 0.00 -1.00 0.00 0.00 29.16 29.05 1d1j h TRP 31 CO 0.88 1.48 0.28 0.00 -3.56 0.00 0.00 178.44 177.52 1d1j s ALA 32 N -2.81 -1.80 0.15 1.49 0.00 -1.04 -4.83 121.76 112.93 1d1j s ALA 32 Ca -0.10 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 1d1j s ALA 32 Cb 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1d1j s ALA 32 CO 0.93 -0.37 0.60 0.00 0.00 0.00 0.00 175.76 176.92 1d1j s ALA 33 N -1.28 -1.61 0.14 0.00 0.00 -1.26 -1.12 121.76 116.63 1d1j s ALA 33 Ca -0.08 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 1d1j s ALA 33 Cb -0.00 0.85 -0.11 0.00 0.00 0.00 0.00 23.12 23.87 1d1j s ALA 33 CO 0.07 -0.75 1.78 0.99 0.00 0.00 0.00 175.76 177.85 1d1j s THR 34 N -3.65 2.45 0.27 0.00 2.01 -0.11 -4.91 115.64 111.70 1d1j s THR 34 Ca 0.01 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1d1j s THR 34 Cb -0.01 -3.06 -0.13 0.00 0.01 0.00 0.00 72.50 69.31 1d1j s THR 34 CO -0.12 0.00 1.36 0.00 -0.69 0.00 0.00 174.62 175.17 1d1j n ALA 35 N 5.18 1.16 -0.84 7.40 0.00 -1.26 -2.39 120.51 129.76 1d1j n ALA 35 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1d1j n ALA 35 Cb 0.38 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1d1j n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1j n GLY 36 N 1.71 0.68 0.00 0.00 0.00 -1.26 -5.01 105.19 101.31 1d1j n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1d1j n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1j n GLY 37 N -2.00 0.14 0.08 -0.02 0.00 -1.00 -5.04 105.19 97.36 1d1j n GLY 37 Ca 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1d1j n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d1j n VAL 38 N -1.07 1.61 0.30 1.61 0.24 -1.26 -4.11 118.33 115.64 1d1j n VAL 38 Ca 0.00 -0.80 0.15 0.00 -2.04 0.00 0.00 64.34 61.65 1d1j n VAL 38 Cb 0.00 -1.04 0.91 0.00 -1.47 0.00 0.00 33.84 32.24 1d1j n VAL 38 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1d1j h PHE 39 N 0.00 0.00 -0.07 6.34 0.04 -1.90 0.30 116.94 121.65 1d1j h PHE 39 Ca -0.29 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.50 1d1j h PHE 39 Cb 2.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.16 1d1j h PHE 39 CO 0.00 0.01 0.06 1.96 -0.60 0.00 0.00 178.31 179.74 1d1j h GLN 40 N 0.00 0.00 -0.54 1.51 4.20 -1.84 -2.17 115.11 116.27 1d1j h GLN 40 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d1j h GLN 40 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1d1j h GLN 40 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 1d1j n SER 41 N -4.31 2.90 -4.69 1.46 7.64 0.10 -4.95 113.62 111.76 1d1j n SER 41 Ca -0.01 -2.03 -0.42 0.00 1.01 0.00 0.00 58.87 57.42 1d1j n SER 41 Cb 0.16 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1d1j n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1d1j s ILE 42 N -1.33 3.10 0.35 0.44 1.01 -0.82 -4.12 121.20 119.83 1d1j s ILE 42 Ca 0.36 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.58 1d1j s ILE 42 Cb 0.19 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1d1j s ILE 42 CO 0.24 -0.00 0.50 0.42 0.00 0.00 0.00 174.94 176.09 1d1j s THR 43 N 2.71 4.29 0.48 2.92 -4.23 -1.26 -4.58 115.64 115.97 1d1j s THR 43 Ca 0.73 -0.86 0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1d1j s THR 43 Cb -0.39 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.18 1d1j s THR 43 CO 0.32 -0.24 2.09 -0.65 -0.54 0.00 0.00 174.62 175.60 1d1j h PRO 44 N 0.82 0.14 -0.35 3.99 0.11 -1.95 -0.81 132.00 133.94 1d1j h PRO 44 Ca -0.47 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1d1j h PRO 44 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1d1j h PRO 44 CO 0.55 0.13 -0.41 0.82 -0.21 0.00 0.00 178.00 178.88 1d1j h ILE 45 N 0.14 1.27 -0.42 4.15 2.04 -1.95 -0.86 117.51 121.89 1d1j h ILE 45 Ca 0.04 -1.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.22 1d1j h ILE 45 Cb 0.05 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1d1j h ILE 45 CO -0.00 0.53 -0.11 -0.33 0.00 0.00 0.00 178.15 178.23 1d1j h GLU 46 N 0.71 0.76 -0.63 2.37 5.08 -1.64 -2.28 114.58 118.94 1d1j h GLU 46 Ca 0.05 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1d1j h GLU 46 Cb 1.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1d1j h GLU 46 CO 0.10 0.84 0.20 0.82 -1.00 0.00 0.00 179.01 179.97 1d1j h ILE 47 N 0.69 1.25 -0.62 3.13 2.04 -0.95 -2.34 117.51 120.71 1d1j h ILE 47 Ca 0.12 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1d1j h ILE 47 Cb 0.58 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1d1j h ILE 47 CO 0.04 0.32 0.26 0.44 0.00 0.00 0.00 178.15 179.21 1d1j h ASP 48 N 0.90 0.81 -0.19 1.72 3.32 -0.90 -1.60 116.42 120.48 1d1j h ASP 48 Ca 0.20 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1d1j h ASP 48 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1d1j h ASP 48 CO -0.01 0.71 -0.12 -0.03 -1.72 0.00 0.00 179.24 178.07 1d1j h MET 49 N 0.88 0.57 -0.00 3.56 4.05 -1.00 0.23 114.93 123.22 1d1j h MET 49 Ca 0.21 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1d1j h MET 49 Cb 0.15 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1d1j h MET 49 CO -0.02 0.68 -0.00 0.82 0.23 0.00 0.00 176.91 178.62 1d1j h ILE 50 N 0.52 1.37 -0.28 1.77 2.04 -0.84 -3.32 117.51 118.77 1d1j h ILE 50 Ca 0.09 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1d1j h ILE 50 Cb 0.52 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1d1j h ILE 50 CO 0.03 0.28 0.00 1.33 0.00 0.00 0.00 178.15 179.80 1d1j n VAL 51 N -4.86 0.36 -0.69 1.67 0.24 -0.68 -5.02 118.33 109.35 1d1j n VAL 51 Ca -0.08 -0.55 -0.29 0.00 -2.04 0.00 0.00 64.34 61.37 1d1j n VAL 51 Cb 0.24 0.70 0.21 0.00 -1.47 0.00 0.00 33.84 33.52 1d1j n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d1j s GLY 52 N -1.52 1.60 0.41 7.63 0.00 0.82 -4.94 107.32 111.32 1d1j s GLY 52 Ca 0.35 0.10 0.19 0.00 0.00 0.00 0.00 44.72 45.36 1d1j s GLY 52 CO 0.29 0.70 1.84 0.50 0.00 0.00 0.00 173.10 176.43 1d1j h LYS 53 N -2.24 0.00 -6.21 2.90 6.56 -1.94 -3.40 116.57 112.24 1d1j h LYS 53 Ca -0.54 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 58.47 1d1j h LYS 53 Cb 1.31 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.87 1d1j h LYS 53 CO 0.48 0.32 0.76 0.34 -2.06 0.00 0.00 179.45 179.29 1d1j s ASP 54 N -6.54 6.40 -0.23 0.86 2.15 -1.26 -4.88 116.67 113.17 1d1j s ASP 54 Ca -0.02 -0.11 0.13 0.00 0.43 0.00 0.00 52.55 52.99 1d1j s ASP 54 Cb 0.13 -2.49 0.78 0.00 -0.30 0.00 0.00 42.92 41.04 1d1j s ASP 54 CO 0.68 -1.33 1.70 0.54 -0.17 0.00 0.00 175.17 176.58 1d1j n ARG 55 N 7.89 4.69 0.00 4.34 5.12 -1.26 -4.36 116.66 133.07 1d1j n ARG 55 Ca 0.05 -3.01 0.00 0.00 -1.93 0.00 0.00 57.85 52.96 1d1j n ARG 55 Cb 0.48 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 1d1j n ARG 55 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1d1j n GLU 56 N 0.56 2.45 -0.22 5.56 1.02 -1.26 -4.80 120.64 123.95 1d1j n GLU 56 Ca 0.27 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 1d1j n GLU 56 Cb 1.17 -0.81 0.29 0.00 -0.02 0.00 0.00 31.44 32.07 1d1j n GLU 56 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1d1j h GLY 57 N 0.00 1.07 2.00 0.62 0.00 -1.98 -2.48 103.07 102.30 1d1j h GLY 57 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1d1j h GLY 57 CO 0.00 0.29 0.00 0.27 0.00 0.00 0.00 176.54 177.10 1d1j h PHE 58 N 0.90 0.00 0.04 5.60 -5.15 -1.84 -1.28 116.94 115.20 1d1j h PHE 58 Ca 0.32 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.86 1d1j h PHE 58 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.28 1d1j h PHE 58 CO -0.00 0.00 -1.04 0.74 -2.00 0.00 0.00 178.31 176.01 1d1j h PHE 59 N 0.00 0.20 0.10 6.09 0.04 -1.72 0.25 116.94 121.91 1d1j h PHE 59 Ca 0.00 -0.14 -0.14 0.00 2.80 0.00 0.00 57.97 60.50 1d1j h PHE 59 Cb 0.53 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.68 1d1j h PHE 59 CO 0.00 1.07 -0.59 1.15 -0.60 0.00 0.00 178.31 179.33 1d1j h THR 60 N 0.04 1.59 -0.01 -1.55 2.02 -1.41 -3.39 112.91 110.20 1d1j h THR 60 Ca -0.05 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1d1j h THR 60 Cb 1.76 3.26 0.00 0.00 -1.74 0.00 0.00 68.15 71.43 1d1j h THR 60 CO 0.15 0.69 -0.07 0.59 0.37 0.00 0.00 175.52 177.25 1d1j n ASN 61 N -4.26 1.80 -0.16 4.18 5.03 -0.52 -5.11 115.26 116.23 1d1j n ASN 61 Ca -0.13 -1.40 0.00 0.00 0.87 0.00 0.00 54.58 53.92 1d1j n ASN 61 Cb 0.73 0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.63 1d1j n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d1j n GLY 62 N 0.76 -1.35 3.49 7.41 0.00 0.90 -5.00 105.19 111.39 1d1j n GLY 62 Ca 0.06 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1d1j n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1d1j s LEU 63 N 0.00 0.23 0.12 0.99 0.05 -0.42 -4.41 118.68 115.23 1d1j s LEU 63 Ca 0.00 -0.54 0.11 0.00 0.05 0.00 0.00 54.13 53.74 1d1j s LEU 63 Cb 0.00 1.98 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1d1j s LEU 63 CO 0.00 -1.02 -0.26 0.42 -0.55 0.00 0.00 176.35 174.93 1d1j s THR 64 N -3.89 2.28 -0.24 5.48 -4.23 -1.26 0.19 115.64 113.97 1d1j s THR 64 Ca 0.10 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1d1j s THR 64 Cb -0.00 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.92 1d1j s THR 64 CO -0.02 0.14 0.02 -0.76 -0.54 0.00 0.00 174.62 173.45 1d1j s LEU 65 N -1.93 2.13 -1.03 4.79 1.43 -0.42 -4.71 118.68 118.94 1d1j s LEU 65 Ca 0.14 -1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1d1j s LEU 65 Cb -0.10 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1d1j s LEU 65 CO 0.06 -0.31 0.27 0.61 0.23 0.00 0.00 176.35 177.20 1d1j n GLY 66 N 4.82 -0.11 3.16 -3.19 0.00 -1.26 -2.13 105.19 106.50 1d1j n GLY 66 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1d1j n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j n ALA 67 N -2.51 0.00 -2.62 4.61 0.00 -1.26 -4.87 120.51 113.86 1d1j n ALA 67 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1d1j n ALA 67 Cb 0.59 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1d1j n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1d1j s LYS 68 N -0.07 3.93 0.09 0.00 2.47 -0.90 -4.99 119.74 120.28 1d1j s LYS 68 Ca 0.00 0.73 -0.31 0.00 -1.56 0.00 0.00 55.97 54.83 1d1j s LYS 68 Cb 0.00 -3.77 -0.09 0.00 -1.46 0.00 0.00 37.83 32.51 1d1j s LYS 68 CO 0.00 -0.88 1.64 0.15 0.16 0.00 0.00 175.35 176.42 1d1j s LYS 69 N 3.43 4.20 0.20 4.03 1.02 -1.26 -1.30 119.74 130.06 1d1j s LYS 69 Ca 0.39 2.34 0.03 0.00 0.02 0.00 0.00 55.97 58.76 1d1j s LYS 69 Cb -0.12 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 1d1j s LYS 69 CO 0.16 -0.71 -0.01 0.00 -0.92 0.00 0.00 175.35 173.88 1d1j s SER 71 N -3.25 2.67 -0.23 0.00 1.04 -0.32 -1.31 113.70 112.31 1d1j s SER 71 Ca 0.26 -0.77 -0.16 0.00 0.48 0.00 0.00 55.95 55.76 1d1j s SER 71 Cb 0.06 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1d1j s SER 71 CO 0.06 0.03 0.41 -0.69 0.98 0.00 0.00 173.24 174.03 1d1j s VAL 72 N -1.56 5.17 -0.13 5.02 1.01 -1.26 -1.90 120.40 126.75 1d1j s VAL 72 Ca 0.11 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 1d1j s VAL 72 Cb -0.08 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 1d1j s VAL 72 CO 0.06 0.20 0.46 0.40 0.00 0.00 0.00 175.10 176.22 1d1j h ILE 73 N 5.18 1.00 -2.79 2.22 1.08 -0.62 -3.47 117.51 120.11 1d1j h ILE 73 Ca -0.34 -2.33 -0.13 0.00 -0.39 0.00 0.00 64.86 61.67 1d1j h ILE 73 Cb 1.16 2.61 -0.25 0.00 -3.07 0.00 0.00 36.82 37.27 1d1j h ILE 73 CO 0.70 0.62 -0.28 -0.60 -0.69 0.00 0.00 178.15 177.90 1d1j s ARG 74 N -2.44 0.43 -0.24 2.37 3.52 -0.93 -4.98 118.95 116.68 1d1j s ARG 74 Ca -0.22 0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 1d1j s ARG 74 Cb 0.05 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1d1j s ARG 74 CO 0.72 -0.08 -0.04 0.34 -0.81 0.00 0.00 175.30 175.43 1d1j s ASP 75 N 0.47 4.36 -0.01 -2.12 2.15 -1.26 -1.19 116.67 119.07 1d1j s ASP 75 Ca -0.02 -0.68 0.02 0.00 0.43 0.00 0.00 52.55 52.30 1d1j s ASP 75 Cb -0.04 -1.71 0.03 0.00 -0.30 0.00 0.00 42.92 40.90 1d1j s ASP 75 CO -0.02 -0.09 0.93 -1.20 -0.17 0.00 0.00 175.17 174.61 1d1j n SER 76 N 4.74 0.30 0.18 -0.34 7.64 0.19 -4.87 113.62 121.46 1d1j n SER 76 Ca -0.17 -1.93 0.11 0.00 1.01 0.00 0.00 58.87 57.88 1d1j n SER 76 Cb 0.49 -0.18 0.64 0.00 -1.01 0.00 0.00 64.21 64.14 1d1j n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1d1j h LEU 77 N 0.00 0.02 -2.11 -3.43 5.85 -1.52 -2.79 115.31 111.34 1d1j h LEU 77 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1d1j h LEU 77 Cb 1.26 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1d1j h LEU 77 CO 0.00 0.02 -0.04 -1.22 -0.34 0.00 0.00 178.44 176.86 1d1j n TYR 78 N -4.50 0.00 -2.13 1.25 4.01 -1.26 -4.48 117.16 110.05 1d1j n TYR 78 Ca 0.00 -0.30 -0.32 0.00 -0.16 0.00 0.00 57.90 57.13 1d1j n TYR 78 Cb 0.21 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1d1j n TYR 78 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1d1j s VAL 79 N -0.67 4.57 0.26 -0.72 -7.23 -1.19 -4.99 120.40 110.42 1d1j s VAL 79 Ca 0.03 1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 60.93 1d1j s VAL 79 Cb 0.02 -3.76 -0.13 0.00 0.56 0.00 0.00 36.38 33.07 1d1j s VAL 79 CO 0.00 -0.89 1.42 0.47 -0.31 0.00 0.00 175.10 175.80 1d1j n ASP 80 N -2.16 2.91 0.00 4.85 9.92 -1.26 -2.62 116.55 128.19 1d1j n ASP 80 Ca 0.06 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 1d1j n ASP 80 Cb 0.54 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1d1j n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d1j n GLY 81 N 2.05 0.73 3.53 0.44 0.00 -1.26 -4.96 105.19 105.72 1d1j n GLY 81 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1d1j n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1j s ASP 82 N -2.58 2.91 -0.16 1.61 -1.08 -1.08 -5.07 116.67 111.22 1d1j s ASP 82 Ca 0.00 -1.52 0.06 0.00 -0.52 0.00 0.00 52.55 50.58 1d1j s ASP 82 Cb 0.00 0.17 0.19 0.00 -1.46 0.00 0.00 42.92 41.82 1d1j s ASP 82 CO 0.00 -0.74 1.14 0.00 0.52 0.00 0.00 175.17 176.10 1d1j s THR 84 N 0.06 1.07 -0.02 0.00 -4.23 -1.12 -0.06 115.64 111.35 1d1j s THR 84 Ca 0.04 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1d1j s THR 84 Cb 0.21 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1d1j s THR 84 CO -0.06 -0.40 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.50 1d1j s MET 85 N -3.84 0.77 -0.31 3.99 -1.94 -0.37 -0.64 119.30 116.95 1d1j s MET 85 Ca 0.26 -0.26 -0.07 0.00 -1.71 0.00 0.00 55.69 53.91 1d1j s MET 85 Cb 0.05 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 36.17 1d1j s MET 85 CO 0.07 0.12 0.10 -0.51 -0.01 0.00 0.00 175.02 174.79 1d1j s ASP 86 N 0.08 5.25 0.38 3.03 1.01 -0.33 -1.67 116.67 124.43 1d1j s ASP 86 Ca -0.01 -0.83 0.08 0.00 0.71 0.00 0.00 52.55 52.50 1d1j s ASP 86 Cb -0.06 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 1d1j s ASP 86 CO 0.00 -0.24 0.03 -0.63 0.21 0.00 0.00 175.17 174.54 1d1j s ILE 87 N 1.49 2.29 -0.20 0.77 1.01 0.27 0.15 121.20 126.98 1d1j s ILE 87 Ca 0.02 -1.96 -0.12 0.00 0.00 0.00 0.00 60.65 58.58 1d1j s ILE 87 Cb -0.18 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1d1j s ILE 87 CO 0.03 -0.09 0.49 -0.60 0.00 0.00 0.00 174.94 174.77 1d1j s ARG 88 N -3.74 0.50 0.78 2.79 3.52 -0.80 -0.81 118.95 121.20 1d1j s ARG 88 Ca 0.36 0.87 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 1d1j s ARG 88 Cb 0.04 0.07 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 1d1j s ARG 88 CO 0.19 -0.14 1.11 0.95 -0.81 0.00 0.00 175.30 176.60 1d1j s THR 89 N 1.24 2.99 -0.14 4.11 -4.23 -0.15 -1.17 115.64 118.28 1d1j s THR 89 Ca -0.08 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.67 1d1j s THR 89 Cb -0.07 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 1d1j s THR 89 CO -0.12 -0.39 0.23 -0.54 -0.54 0.00 0.00 174.62 173.26 1d1j s LYS 90 N -4.68 3.99 0.13 3.99 1.02 -0.10 -4.35 119.74 119.75 1d1j s LYS 90 Ca 0.64 0.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 1d1j s LYS 90 Cb -0.19 -3.34 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 1d1j s LYS 90 CO 0.54 0.45 1.42 0.45 -0.92 0.00 0.00 175.35 177.28 1d1j s SER 91 N -0.13 6.78 0.00 2.83 0.15 -1.26 -4.91 113.70 117.16 1d1j s SER 91 Ca 0.15 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.19 1d1j s SER 91 Cb -0.13 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1d1j s SER 91 CO 0.04 -0.68 0.00 0.00 1.20 0.00 0.00 173.24 173.80 1d1j n GLN 92 N 3.86 0.00 -2.24 5.44 6.02 -1.26 -4.86 117.38 124.34 1d1j n GLN 92 Ca 0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.71 1d1j n GLN 92 Cb 0.42 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.69 1d1j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d1j n GLY 93 N 2.94 5.68 2.60 1.08 0.00 -1.26 -4.69 105.19 111.54 1d1j n GLY 93 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1d1j n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1j n GLY 94 N 0.12 1.80 3.73 -0.02 0.00 -1.26 -5.02 105.19 104.53 1d1j n GLY 94 Ca 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 1d1j n GLY 94 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d1j s GLU 95 N -0.13 1.91 0.47 1.61 -1.05 -1.26 -5.01 118.70 115.24 1d1j s GLU 95 Ca 0.00 1.41 -0.13 0.00 -0.15 0.00 0.00 54.97 56.10 1d1j s GLU 95 Cb 0.00 -1.84 -0.07 0.00 -0.44 0.00 0.00 34.13 31.78 1d1j s GLU 95 CO 0.00 -1.94 0.88 -1.25 0.95 0.00 0.00 175.26 173.91 1d1j s PRO 96 N -4.57 3.85 0.47 -4.83 0.04 -1.26 -4.50 135.00 124.21 1d1j s PRO 96 Ca 0.66 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1d1j s PRO 96 Cb -0.21 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 1d1j s PRO 96 CO 0.53 -0.17 1.00 0.95 0.04 0.00 0.00 177.00 179.35 1d1j s THR 97 N -2.53 4.08 -0.06 1.26 -4.23 -1.26 -4.78 115.64 108.12 1d1j s THR 97 Ca 0.55 1.25 0.05 0.00 -1.18 0.00 0.00 61.69 62.36 1d1j s THR 97 Cb -0.10 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 1d1j s THR 97 CO 0.32 -0.32 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 1d1j s TYR 98 N -2.14 2.20 0.52 3.99 2.02 -1.26 -4.72 117.35 117.96 1d1j s TYR 98 Ca 0.64 -0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 1d1j s TYR 98 Cb -0.13 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.90 1d1j s TYR 98 CO 0.19 -0.22 1.03 -0.80 -1.57 0.00 0.00 175.55 174.18 1d1j s ASN 99 N -0.03 6.25 0.01 2.29 0.01 -1.26 -0.98 114.94 121.22 1d1j s ASN 99 Ca -0.05 1.81 -0.00 0.00 -0.71 0.00 0.00 52.86 53.90 1d1j s ASN 99 Cb -0.14 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1d1j s ASN 99 CO 0.04 -0.85 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.09 1d1j s VAL 100 N -2.26 0.04 0.01 1.60 1.01 0.01 -0.65 120.40 120.16 1d1j s VAL 100 Ca 0.64 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1d1j s VAL 100 Cb -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1d1j s VAL 100 CO 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 175.10 175.10 1d1j s ALA 101 N -0.59 0.53 -0.10 5.51 0.00 -0.46 -0.57 121.76 126.08 1d1j s ALA 101 Ca -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1d1j s ALA 101 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1d1j s ALA 101 CO -0.00 0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.72 1d1j s VAL 102 N -0.39 1.87 -0.07 0.00 1.01 -0.67 -1.31 120.40 120.83 1d1j s VAL 102 Ca -0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1d1j s VAL 102 Cb -0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1d1j s VAL 102 CO -0.00 0.52 -0.18 -0.83 0.00 0.00 0.00 175.10 174.61 1d1j s GLY 103 N 0.51 1.45 -0.26 4.51 0.00 0.85 -1.24 107.32 113.15 1d1j s GLY 103 Ca -0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 1d1j s GLY 103 CO 0.06 -0.56 0.01 -1.60 0.00 0.00 0.00 173.10 171.01 1d1j s ARG 104 N -0.22 3.17 0.00 2.90 3.52 0.92 0.20 118.95 129.44 1d1j s ARG 104 Ca -0.00 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1d1j s ARG 104 Cb -0.13 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1d1j s ARG 104 CO 0.03 -0.34 0.00 0.00 -0.81 0.00 0.00 175.30 174.18 1d1j n ALA 105 N 4.81 0.00 -0.06 6.12 0.00 -0.33 -4.85 120.51 126.19 1d1j n ALA 105 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1d1j n ALA 105 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1d1j n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1d1j h GLY 106 N 0.00 0.62 0.00 0.00 0.00 -1.87 -3.39 103.07 98.43 1d1j h GLY 106 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1d1j h GLY 106 CO 0.00 0.63 -1.10 0.54 0.00 0.00 0.00 176.54 176.61 1d1j n ARG 107 N -4.32 1.15 -4.29 4.80 5.12 -1.26 -4.94 116.66 112.92 1d1j n ARG 107 Ca -0.06 -0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.66 1d1j n ARG 107 Cb 0.49 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.60 1d1j n ARG 107 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d1j s ALA 108 N -2.29 1.59 -0.10 7.54 0.00 -1.26 -2.37 121.76 124.87 1d1j s ALA 108 Ca -0.01 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.16 1d1j s ALA 108 Cb 0.04 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.18 1d1j s ALA 108 CO 0.27 -0.46 -0.15 -0.51 0.00 0.00 0.00 175.76 174.91 1d1j s LEU 109 N -3.27 2.64 -0.34 0.00 1.02 0.40 -1.19 118.68 117.95 1d1j s LEU 109 Ca 0.36 -0.31 -0.14 0.00 0.02 0.00 0.00 54.13 54.06 1d1j s LEU 109 Cb 0.07 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.70 1d1j s LEU 109 CO 0.12 0.23 0.31 -0.69 0.02 0.00 0.00 176.35 176.34 1d1j s VAL 110 N -0.04 5.22 -0.08 -1.59 1.01 0.13 -0.89 120.40 124.16 1d1j s VAL 110 Ca -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1d1j s VAL 110 Cb -0.14 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1d1j s VAL 110 CO 0.04 -0.04 -0.24 -0.63 0.00 0.00 0.00 175.10 174.23 1d1j s ILE 111 N 1.90 2.10 0.01 2.22 1.01 0.31 -0.10 121.20 128.65 1d1j s ILE 111 Ca 0.10 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1d1j s ILE 111 Cb -0.17 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1d1j s ILE 111 CO 0.11 0.57 -0.03 0.68 0.00 0.00 0.00 174.94 176.27 1d1j s VAL 112 N 0.04 0.20 -0.15 2.92 -7.23 -0.43 -0.86 120.40 114.90 1d1j s VAL 112 Ca -0.10 -0.34 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 1d1j s VAL 112 Cb -0.15 -0.22 0.01 0.00 0.56 0.00 0.00 36.38 36.58 1d1j s VAL 112 CO 0.06 -0.10 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.23 1d1j s MET 113 N -0.47 3.07 0.61 4.82 1.75 -0.31 -1.36 119.30 127.41 1d1j s MET 113 Ca -0.03 -0.83 -0.13 0.00 -1.25 0.00 0.00 55.69 53.45 1d1j s MET 113 Cb -0.03 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 1d1j s MET 113 CO -0.00 -0.03 1.03 0.20 -0.65 0.00 0.00 175.02 175.58 1d1j s GLY 114 N 0.86 1.84 0.95 2.11 0.00 0.17 -0.66 107.32 112.60 1d1j s GLY 114 Ca -0.05 0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1d1j s GLY 114 CO -0.02 0.41 1.24 0.54 0.00 0.00 0.00 173.10 175.26 1d1j s LYS 115 N -4.68 0.79 0.19 2.90 1.02 -0.35 -4.37 119.74 115.24 1d1j s LYS 115 Ca 0.58 -0.14 -0.33 0.00 0.02 0.00 0.00 55.97 56.10 1d1j s LYS 115 Cb -0.13 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1d1j s LYS 115 CO 0.46 -2.36 1.58 -1.91 -0.92 0.00 0.00 175.35 172.20 1d1j n GLU 116 N -3.79 2.26 0.00 1.68 2.13 -1.26 -1.96 120.64 119.70 1d1j n GLU 116 Ca 0.12 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1d1j n GLU 116 Cb 0.60 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1d1j n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1d1j n GLY 117 N 3.27 2.81 3.71 8.31 0.00 -1.26 -5.00 105.19 117.02 1d1j n GLY 117 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1d1j n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1j s VAL 118 N -1.96 2.99 0.44 1.61 1.01 -0.83 -4.97 120.40 118.68 1d1j s VAL 118 Ca 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 1d1j s VAL 118 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1d1j s VAL 118 CO 0.00 0.03 1.07 -1.00 0.00 0.00 0.00 175.10 175.20 1d1j s HIS 119 N 1.63 3.10 0.28 5.22 3.76 -1.26 -4.59 115.29 123.43 1d1j s HIS 119 Ca 0.69 1.60 -0.01 0.00 -0.15 0.00 0.00 55.06 57.20 1d1j s HIS 119 Cb -0.40 -3.17 0.47 0.00 1.11 0.00 0.00 32.58 30.60 1d1j s HIS 119 CO 0.31 -0.88 1.88 0.78 -0.85 0.00 0.00 174.74 175.97 1d1j h GLY 120 N 2.13 1.51 0.62 -2.22 0.00 -1.97 -2.32 103.07 100.81 1d1j h GLY 120 Ca -0.49 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 46.47 1d1j h GLY 120 CO 0.61 0.29 0.56 -1.33 0.00 0.00 0.00 176.54 176.66 1d1j h GLY 121 N 1.10 1.40 0.99 4.60 0.00 -1.99 0.17 103.07 109.35 1d1j h GLY 121 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1d1j h GLY 121 CO -0.19 0.22 0.16 -0.84 0.00 0.00 0.00 176.54 175.89 1d1j h THR 122 N 0.96 1.08 -0.29 4.70 2.02 -1.81 -1.69 112.91 117.88 1d1j h THR 122 Ca 0.42 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 67.26 1d1j h THR 122 Cb 0.29 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1d1j h THR 122 CO -0.21 0.08 -0.44 -0.07 0.37 0.00 0.00 175.52 175.25 1d1j h LEU 123 N 0.33 0.81 0.00 2.58 3.38 -1.34 -1.34 115.31 119.74 1d1j h LEU 123 Ca 0.09 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1d1j h LEU 123 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1d1j h LEU 123 CO -0.02 1.14 -0.07 -1.13 0.09 0.00 0.00 178.44 178.45 1d1j h ASN 124 N 0.61 -0.19 0.37 -0.43 -0.73 -0.50 0.26 115.58 114.97 1d1j h ASN 124 Ca 0.04 0.03 -0.15 0.00 1.87 0.00 0.00 56.30 58.09 1d1j h ASN 124 Cb 1.00 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 1d1j h ASN 124 CO 0.10 -0.10 -0.62 0.11 -0.37 0.00 0.00 177.43 176.54 1d1j h LYS 125 N -0.12 0.24 -0.10 6.67 1.79 -1.30 0.44 116.57 124.19 1d1j h LYS 125 Ca 0.03 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1d1j h LYS 125 Cb 0.15 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1d1j h LYS 125 CO -0.07 0.78 0.05 -0.22 -1.08 0.00 0.00 179.45 178.92 1d1j h LYS 126 N 0.17 0.15 -0.40 3.15 3.64 -0.98 0.96 116.57 123.26 1d1j h LYS 126 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1d1j h LYS 126 Cb 1.13 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1d1j h LYS 126 CO 0.10 0.22 0.09 0.00 -2.27 0.00 0.00 179.45 177.58 1d1j h ALA 127 N 0.92 0.53 -0.23 5.00 0.00 -0.86 -2.80 119.26 121.82 1d1j h ALA 127 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1d1j h ALA 127 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1d1j h ALA 127 CO -0.00 0.22 0.11 -0.92 0.00 0.00 0.00 179.25 178.65 1d1j h TYR 128 N 0.51 0.20 -0.59 0.00 3.20 -0.77 -1.82 116.97 117.69 1d1j h TYR 128 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1d1j h TYR 128 Cb 0.33 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1d1j h TYR 128 CO 0.02 0.11 0.35 0.93 -1.64 0.00 0.00 178.16 177.93 1d1j h GLU 129 N 0.23 0.80 -0.08 1.82 4.39 -0.76 -0.97 114.58 120.01 1d1j h GLU 129 Ca 0.09 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1d1j h GLU 129 Cb 0.03 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1d1j h GLU 129 CO -0.07 0.58 -0.69 1.25 -1.16 0.00 0.00 179.01 178.92 1d1j h LEU 130 N 0.79 0.41 -0.64 1.33 5.85 -1.41 -1.66 115.31 119.99 1d1j h LEU 130 Ca 0.21 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1d1j h LEU 130 Cb -0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1d1j h LEU 130 CO -0.04 0.98 0.13 0.00 -0.34 0.00 0.00 178.44 179.17 1d1j h ALA 131 N 1.01 0.84 -0.37 1.25 0.00 -1.17 0.76 119.26 121.59 1d1j h ALA 131 Ca -0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1d1j h ALA 131 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1d1j h ALA 131 CO 0.12 0.58 -0.22 1.25 0.00 0.00 0.00 179.25 180.97 1d1j h LEU 132 N 0.95 0.73 -0.38 0.00 5.85 -1.12 -1.23 115.31 120.11 1d1j h LEU 132 Ca 0.20 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1d1j h LEU 132 Cb 0.40 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1d1j h LEU 132 CO 0.01 0.93 -0.02 0.22 -0.34 0.00 0.00 178.44 179.24 1d1j h TYR 133 N 0.63 0.75 -0.66 1.25 3.20 -0.88 -2.27 116.97 118.99 1d1j h TYR 133 Ca 0.09 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1d1j h TYR 133 Cb 0.71 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1d1j h TYR 133 CO 0.03 0.78 0.24 -0.07 -1.64 0.00 0.00 178.16 177.51 1d1j h LEU 134 N 0.50 0.91 -1.12 2.82 3.38 -0.69 -2.82 115.31 118.30 1d1j h LEU 134 Ca 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1d1j h LEU 134 Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1d1j h LEU 134 CO 0.02 0.83 0.27 0.03 0.09 0.00 0.00 178.44 179.68 1d1j h ARG 135 N 0.96 0.89 -0.03 1.13 3.08 -0.97 0.47 114.38 119.90 1d1j h ARG 135 Ca 0.22 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1d1j h ARG 135 Cb 0.22 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1d1j h ARG 135 CO -0.01 0.71 0.03 0.00 -1.07 0.00 0.00 179.97 179.62 1d1j h ARG 136 N 0.88 0.00 0.01 0.04 2.47 -1.15 -2.73 114.38 113.90 1d1j h ARG 136 Ca 0.21 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.60 1d1j h ARG 136 Cb 0.14 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.40 1d1j h ARG 136 CO -0.02 0.00 -2.06 0.43 0.56 0.00 0.00 179.97 178.87 1d1j n SER 137 N -4.34 0.70 0.00 7.04 7.64 -0.01 -5.14 113.62 119.51 1d1j n SER 137 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1d1j n SER 137 Cb 0.12 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1d1j n SER 137 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13