#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1j s GLY 2 N 0.00 1.94 0.24 0.00 0.00 -1.26 -4.97 107.32 103.27 1d1j s GLY 2 Ca 0.00 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.09 1d1j s GLY 2 CO 0.00 0.33 1.75 1.49 0.00 0.00 0.00 173.10 176.67 1d1j h TRP 3 N 7.40 0.00 0.00 1.90 4.06 -2.01 -3.01 115.95 124.29 1d1j h TRP 3 Ca -0.38 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.57 1d1j h TRP 3 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1d1j h TRP 3 CO 0.64 0.00 -0.02 0.37 -3.56 0.00 0.00 178.44 175.87 1d1j h GLN 4 N 0.00 0.00 -0.08 0.49 5.75 -1.93 -2.24 115.11 117.10 1d1j h GLN 4 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1d1j h GLN 4 Cb 0.77 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.32 1d1j h GLN 4 CO 0.00 0.02 0.03 1.03 -2.65 0.00 0.00 178.83 177.26 1d1j h SER 5 N 0.00 0.11 -0.73 -0.69 0.87 -1.96 -2.89 113.55 108.26 1d1j h SER 5 Ca -0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1d1j h SER 5 Cb 0.41 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1d1j h SER 5 CO 0.00 0.24 0.35 1.88 -0.53 0.00 0.00 176.83 178.77 1d1j h TYR 6 N -0.02 1.05 -0.11 2.24 0.05 -1.58 -2.61 116.97 116.00 1d1j h TYR 6 Ca 0.03 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1d1j h TYR 6 Cb 0.16 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1d1j h TYR 6 CO -0.02 0.78 -0.15 -0.39 -1.05 0.00 0.00 178.16 177.33 1d1j h VAL 7 N 1.02 1.17 -0.39 -2.88 -1.51 -1.53 -2.04 116.25 110.10 1d1j h VAL 7 Ca 0.25 -0.76 -0.08 0.00 -1.23 0.00 0.00 66.70 64.88 1d1j h VAL 7 Cb 0.12 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 1d1j h VAL 7 CO -0.03 0.23 -0.06 0.44 -1.23 0.00 0.00 177.57 176.92 1d1j h ASP 8 N 0.16 0.72 0.89 4.19 3.32 -1.25 -2.10 116.42 122.35 1d1j h ASP 8 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1d1j h ASP 8 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1d1j h ASP 8 CO 0.02 0.89 0.00 0.78 -1.72 0.00 0.00 179.24 179.22 1d1j h ASN 9 N 0.53 0.00 1.06 6.45 2.35 -1.18 -2.09 115.58 122.70 1d1j h ASN 9 Ca 0.10 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1d1j h ASN 9 Cb 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1d1j h ASN 9 CO 0.03 0.00 -1.00 -0.07 -1.65 0.00 0.00 177.43 174.74 1d1j h LEU 10 N 0.00 0.00 -0.84 1.61 3.38 -1.00 -3.30 115.31 115.16 1d1j h LEU 10 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d1j h LEU 10 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1d1j h LEU 10 CO 0.00 0.52 -0.04 0.23 0.09 0.00 0.00 178.44 179.25 1d1j n MET 11 N -3.03 1.50 0.27 1.13 2.81 -0.81 -4.54 117.12 114.45 1d1j n MET 11 Ca -0.04 -0.84 -0.10 0.00 -1.81 0.00 0.00 57.70 54.90 1d1j n MET 11 Cb 0.78 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.76 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 -3.89 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 112.25 1d1j n ASP 13 Ca -0.08 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 1d1j n ASP 13 Cb 0.27 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.22 0.25 0.02 6.12 0.00 -1.20 -4.87 105.19 104.28 1d1j n GLY 14 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1d1j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1j n GLN 17 N 0.84 0.60 -3.75 0.00 10.64 -0.15 -4.75 117.38 120.80 1d1j n GLN 17 Ca -0.12 -0.16 -0.11 0.00 -1.83 0.00 0.00 57.00 54.78 1d1j n GLN 17 Cb 0.52 -1.45 -0.07 0.00 -0.86 0.00 0.00 30.24 28.38 1d1j n GLN 17 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1d1j s GLU 18 N -3.28 0.85 -0.12 2.61 2.02 -1.17 -5.00 118.70 114.61 1d1j s GLU 18 Ca -0.06 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.10 1d1j s GLU 18 Cb 0.12 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.78 1d1j s GLU 18 CO 0.79 -0.28 0.62 0.00 0.02 0.00 0.00 175.26 176.41 1d1j s ALA 19 N -2.87 -1.57 0.04 5.21 0.00 -1.26 -1.78 121.76 119.53 1d1j s ALA 19 Ca -0.03 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1d1j s ALA 19 Cb 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1d1j s ALA 19 CO -0.05 -0.33 0.53 0.00 0.00 0.00 0.00 175.76 175.90 1d1j s ALA 20 N -0.62 -1.35 -0.21 0.00 0.00 0.43 -1.51 121.76 118.50 1d1j s ALA 20 Ca -0.07 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1d1j s ALA 20 Cb -0.02 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1d1j s ALA 20 CO 0.06 -0.49 -0.10 0.42 0.00 0.00 0.00 175.76 175.65 1d1j s ILE 21 N -2.33 2.90 -0.07 0.00 -1.09 0.01 -0.80 121.20 119.83 1d1j s ILE 21 Ca -0.06 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1d1j s ILE 21 Cb -0.01 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.59 1d1j s ILE 21 CO -0.01 0.46 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.37 1d1j s VAL 22 N 1.41 1.05 0.53 2.92 1.01 0.64 -0.47 120.40 127.48 1d1j s VAL 22 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1d1j s VAL 22 Cb -0.14 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 1d1j s VAL 22 CO -0.07 0.34 1.01 -0.83 0.00 0.00 0.00 175.10 175.56 1d1j s GLY 23 N 0.79 2.20 -0.01 4.51 0.00 -0.76 0.53 107.32 114.58 1d1j s GLY 23 Ca -0.12 0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1d1j s GLY 23 CO 0.02 0.65 0.87 1.58 0.00 0.00 0.00 173.10 176.22 1d1j n TYR 24 N -1.51 0.00 0.00 1.90 4.11 -1.09 -3.49 117.16 117.08 1d1j n TYR 24 Ca 0.08 -0.12 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 1d1j n TYR 24 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 1d1j n TYR 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1d1j h ASP 26 N 0.00 0.23 -1.16 0.00 3.32 -1.95 -3.36 116.42 113.50 1d1j h ASP 26 Ca 0.00 -0.97 -0.74 0.00 0.02 0.00 0.00 57.03 55.33 1d1j h ASP 26 Cb 0.00 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 39.35 1d1j h ASP 26 CO 0.00 1.20 2.39 0.00 -1.72 0.00 0.00 179.24 181.11 1d1j n ALA 27 N -2.65 6.58 -1.59 3.45 0.00 -1.26 -4.91 120.51 120.13 1d1j n ALA 27 Ca -0.12 -4.11 -0.39 0.00 0.00 0.00 0.00 53.44 48.82 1d1j n ALA 27 Cb 0.65 -2.83 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 1d1j n ALA 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d1j n LYS 28 N 2.16 1.79 -3.70 0.00 5.02 -1.26 -3.64 118.16 118.53 1d1j n LYS 28 Ca 0.59 -2.22 -0.03 0.00 -2.02 0.00 0.00 58.31 54.63 1d1j n LYS 28 Cb 0.27 -3.24 -0.01 0.00 -0.02 0.00 0.00 35.03 32.02 1d1j n LYS 28 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1d1j s TYR 29 N 6.59 -0.14 0.06 2.13 -0.85 -1.23 -4.37 117.35 119.54 1d1j s TYR 29 Ca 0.59 -0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.73 1d1j s TYR 29 Cb 0.09 0.61 -0.07 0.00 0.38 0.00 0.00 41.96 42.97 1d1j s TYR 29 CO 0.10 -0.70 1.50 0.08 -1.52 0.00 0.00 175.55 175.01 1d1j s VAL 30 N -3.12 3.32 -0.07 -3.49 1.01 -1.26 -1.83 120.40 114.96 1d1j s VAL 30 Ca 0.12 0.80 0.14 0.00 0.00 0.00 0.00 61.98 63.04 1d1j s VAL 30 Cb -0.00 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 1d1j s VAL 30 CO -0.00 0.01 0.59 0.79 0.00 0.00 0.00 175.10 176.49 1d1j n TRP 31 N 5.11 0.85 -3.60 5.22 7.02 0.38 -4.95 117.44 127.47 1d1j n TRP 31 Ca 0.14 0.31 -0.12 0.00 -1.02 0.00 0.00 57.50 56.81 1d1j n TRP 31 Cb 0.42 -1.15 -0.06 0.00 -2.42 0.00 0.00 31.31 28.09 1d1j n TRP 31 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1d1j s ALA 32 N -2.61 -1.90 0.05 6.99 0.00 -1.04 -4.68 121.76 118.57 1d1j s ALA 32 Ca -0.05 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 53.38 1d1j s ALA 32 Cb 0.08 -0.99 0.08 0.00 0.00 0.00 0.00 23.12 22.28 1d1j s ALA 32 CO 0.83 -0.29 0.69 0.00 0.00 0.00 0.00 175.76 176.98 1d1j s ALA 33 N -0.33 -1.70 0.24 0.00 0.00 -1.26 -0.81 121.76 117.90 1d1j s ALA 33 Ca -0.01 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 1d1j s ALA 33 Cb -0.03 0.45 -0.12 0.00 0.00 0.00 0.00 23.12 23.41 1d1j s ALA 33 CO -0.01 -0.60 1.61 2.41 0.00 0.00 0.00 175.76 179.17 1d1j n THR 34 N 0.12 0.56 -2.25 0.00 -1.04 -0.57 -4.92 114.28 106.18 1d1j n THR 34 Ca -0.16 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1d1j n THR 34 Cb 0.62 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 1d1j n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d1j s ALA 35 N 0.48 3.52 0.00 2.41 0.00 -1.26 -2.96 121.76 123.94 1d1j s ALA 35 Ca 0.70 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1d1j s ALA 35 Cb -0.54 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1d1j s ALA 35 CO 0.42 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1d1j n GLY 36 N 2.69 0.94 4.03 0.00 0.00 -1.26 -5.06 105.19 106.53 1d1j n GLY 36 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1d1j n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1j s GLY 37 N -1.64 1.74 0.15 -0.02 0.00 -1.15 -5.03 107.32 101.36 1d1j s GLY 37 Ca 0.00 -2.08 0.08 0.00 0.00 0.00 0.00 44.72 42.72 1d1j s GLY 37 CO 0.00 -1.60 1.32 -0.39 0.00 0.00 0.00 173.10 172.43 1d1j h VAL 38 N 0.06 1.57 -0.19 1.40 -1.51 -1.89 -3.25 116.25 112.44 1d1j h VAL 38 Ca -0.31 -3.20 0.06 0.00 -1.23 0.00 0.00 66.70 62.02 1d1j h VAL 38 Cb 1.28 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 33.20 1d1j h VAL 38 CO 0.41 0.89 0.15 -0.26 -1.23 0.00 0.00 177.57 177.53 1d1j h PHE 39 N 0.00 0.00 0.00 5.19 -1.00 -1.90 0.62 116.94 119.85 1d1j h PHE 39 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1d1j h PHE 39 Cb 1.69 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.25 1d1j h PHE 39 CO 0.00 0.00 -0.03 0.37 -1.61 0.00 0.00 178.31 177.04 1d1j h GLN 40 N 0.00 0.00 -0.44 1.51 4.15 -1.80 -2.83 115.11 115.70 1d1j h GLN 40 Ca 0.09 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.33 1d1j h GLN 40 Cb 0.39 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.98 1d1j h GLN 40 CO -0.00 0.03 0.06 0.43 -1.93 0.00 0.00 178.83 177.42 1d1j n SER 41 N -3.20 3.19 -4.65 -0.69 7.64 0.21 -4.98 113.62 111.13 1d1j n SER 41 Ca -0.01 -3.52 -0.43 0.00 1.01 0.00 0.00 58.87 55.92 1d1j n SER 41 Cb 0.21 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.13 3.94 0.28 0.44 1.01 -1.07 -4.09 121.20 118.58 1d1j s ILE 42 Ca 0.46 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 62.15 1d1j s ILE 42 Cb 0.40 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1d1j s ILE 42 CO 0.05 -0.17 0.58 0.42 0.00 0.00 0.00 174.94 175.82 1d1j s THR 43 N 4.05 4.95 0.47 2.92 -4.23 -1.26 -4.40 115.64 118.14 1d1j s THR 43 Ca 0.64 0.31 0.23 0.00 -1.18 0.00 0.00 61.69 61.69 1d1j s THR 43 Cb -0.26 -3.69 0.42 0.00 1.34 0.00 0.00 72.50 70.32 1d1j s THR 43 CO 0.23 -0.25 1.87 -0.65 -0.54 0.00 0.00 174.62 175.28 1d1j h PRO 44 N 1.96 0.23 -0.56 3.99 0.11 -1.95 0.62 132.00 136.40 1d1j h PRO 44 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1d1j h PRO 44 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1d1j h PRO 44 CO 0.67 0.15 -0.01 0.82 -0.21 0.00 0.00 178.00 179.42 1d1j h ILE 45 N 0.24 1.26 -0.27 4.15 1.08 -1.94 -2.00 117.51 120.04 1d1j h ILE 45 Ca 0.45 -1.12 -0.14 0.00 -0.39 0.00 0.00 64.86 63.66 1d1j h ILE 45 Cb 1.38 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1d1j h ILE 45 CO -0.11 0.40 -0.40 -0.33 -0.69 0.00 0.00 178.15 177.02 1d1j h GLU 46 N 0.89 0.64 -0.69 2.37 5.08 -1.22 -2.42 114.58 119.23 1d1j h GLU 46 Ca 0.16 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1d1j h GLU 46 Cb 0.54 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1d1j h GLU 46 CO 0.03 0.93 0.16 0.82 -1.00 0.00 0.00 179.01 179.95 1d1j h ILE 47 N 0.52 1.26 -0.41 3.13 2.04 -1.22 -2.71 117.51 120.12 1d1j h ILE 47 Ca 0.04 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1d1j h ILE 47 Cb 0.92 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1d1j h ILE 47 CO 0.08 0.37 0.21 0.44 0.00 0.00 0.00 178.15 179.25 1d1j h ASP 48 N 1.03 0.31 -0.02 1.72 3.32 -1.10 -1.93 116.42 119.76 1d1j h ASP 48 Ca 0.22 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1d1j h ASP 48 Cb 0.38 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1d1j h ASP 48 CO 0.00 0.22 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.68 1d1j h MET 49 N 0.42 0.16 -0.02 3.56 4.05 -1.24 0.36 114.93 122.22 1d1j h MET 49 Ca 0.17 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1d1j h MET 49 Cb 0.07 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1d1j h MET 49 CO -0.12 0.21 -0.05 0.82 0.23 0.00 0.00 176.91 178.01 1d1j h ILE 50 N 0.16 1.46 -0.43 1.77 2.04 -1.09 -3.33 117.51 118.08 1d1j h ILE 50 Ca 0.04 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1d1j h ILE 50 Cb 0.18 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1d1j h ILE 50 CO 0.01 0.38 0.00 1.33 0.00 0.00 0.00 178.15 179.86 1d1j n VAL 51 N -4.74 0.56 -0.73 1.67 0.24 -0.78 -5.01 118.33 109.53 1d1j n VAL 51 Ca -0.08 -0.71 -0.30 0.00 -2.04 0.00 0.00 64.34 61.21 1d1j n VAL 51 Cb 0.32 0.70 0.19 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.35 1.63 0.35 7.63 0.00 0.13 -4.92 107.32 110.79 1d1j s GLY 52 Ca 0.39 0.26 0.14 0.00 0.00 0.00 0.00 44.72 45.51 1d1j s GLY 52 CO 0.30 0.78 1.77 0.50 0.00 0.00 0.00 173.10 176.45 1d1j h LYS 53 N -2.05 0.00 -6.37 2.90 6.56 -1.94 -3.40 116.57 112.26 1d1j h LYS 53 Ca -0.50 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.55 1d1j h LYS 53 Cb 1.29 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.88 1d1j h LYS 53 CO 0.46 0.42 1.09 0.34 -2.06 0.00 0.00 179.45 179.70 1d1j s ASP 54 N -6.78 6.12 -0.23 0.86 2.15 -1.26 -4.86 116.67 112.66 1d1j s ASP 54 Ca -0.02 -0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.01 1d1j s ASP 54 Cb 0.13 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 41.00 1d1j s ASP 54 CO 0.72 -1.80 1.71 0.54 -0.17 0.00 0.00 175.17 176.18 1d1j n ARG 55 N 9.01 4.79 0.00 4.34 5.12 -1.26 -4.29 116.66 134.37 1d1j n ARG 55 Ca 0.08 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.94 1d1j n ARG 55 Cb 0.49 -2.25 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 0.61 2.41 -0.04 5.56 4.71 -1.26 -4.77 120.64 127.85 1d1j n GLU 56 Ca 0.27 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.44 1d1j n GLU 56 Cb 1.17 -0.81 0.34 0.00 -1.01 0.00 0.00 31.44 31.14 1d1j n GLU 56 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1d1j h GLY 57 N 0.00 0.67 2.00 0.62 0.00 -1.98 -2.38 103.07 102.00 1d1j h GLY 57 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 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 0.63 0.00 0.14 5.60 -5.15 -1.82 -1.85 116.94 114.49 1d1j h PHE 58 Ca 0.16 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.65 1d1j h PHE 58 Cb 0.07 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.26 1d1j h PHE 58 CO 0.00 0.00 -1.26 0.74 -2.00 0.00 0.00 178.31 175.79 1d1j h PHE 59 N 0.00 0.62 -0.03 6.09 0.04 -1.73 0.17 116.94 122.10 1d1j h PHE 59 Ca 0.00 -0.44 -0.11 0.00 2.80 0.00 0.00 57.97 60.23 1d1j h PHE 59 Cb 0.80 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.92 1d1j h PHE 59 CO 0.00 1.33 -0.39 1.15 -0.60 0.00 0.00 178.31 179.80 1d1j h THR 60 N 0.11 1.45 -0.01 -1.55 2.02 -1.44 -3.38 112.91 110.11 1d1j h THR 60 Ca -0.15 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1d1j h THR 60 Cb 1.97 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.89 1d1j h THR 60 CO 0.22 0.54 -0.07 0.59 0.37 0.00 0.00 175.52 177.16 1d1j n ASN 61 N -4.38 1.29 -0.19 4.18 4.13 -0.70 -5.12 115.26 114.47 1d1j n ASN 61 Ca -0.09 -1.15 0.01 0.00 1.68 0.00 0.00 54.58 55.03 1d1j n ASN 61 Cb 0.55 0.24 -0.00 0.00 -1.54 0.00 0.00 39.78 39.04 1d1j n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1d1j n GLY 62 N 0.59 -2.03 3.45 7.41 0.00 0.60 -5.00 105.19 110.22 1d1j n GLY 62 Ca 0.04 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 0.63 0.10 0.99 0.05 -0.87 -4.45 118.68 115.13 1d1j s LEU 63 Ca 0.00 -1.03 0.07 0.00 0.05 0.00 0.00 54.13 53.22 1d1j s LEU 63 Cb 0.00 1.33 -0.03 0.00 -2.05 0.00 0.00 46.19 45.44 1d1j s LEU 63 CO 0.00 -1.02 -0.17 0.42 -0.55 0.00 0.00 176.35 175.03 1d1j s THR 64 N -4.04 1.42 -0.17 5.48 -4.23 -1.26 -0.85 115.64 111.99 1d1j s THR 64 Ca 0.25 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1d1j s THR 64 Cb 0.02 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.50 1d1j s THR 64 CO 0.08 -0.23 0.02 -0.76 -0.54 0.00 0.00 174.62 173.19 1d1j s LEU 65 N -2.05 1.21 -1.53 4.79 1.43 -1.07 -4.70 118.68 116.76 1d1j s LEU 65 Ca 0.05 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1d1j s LEU 65 Cb -0.08 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1d1j s LEU 65 CO 0.03 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1d1j n GLY 66 N 5.03 -0.03 2.86 -3.19 0.00 -1.24 -1.99 105.19 106.62 1d1j n GLY 66 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.35 0.00 -2.65 4.61 0.00 -1.26 -4.87 120.51 114.99 1d1j n ALA 67 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1d1j n ALA 67 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.05 4.31 0.06 0.00 2.20 -0.84 -4.97 119.74 120.45 1d1j s LYS 68 Ca 0.00 1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 1d1j s LYS 68 Cb 0.00 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 1d1j s LYS 68 CO 0.00 -0.53 1.93 0.21 -0.36 0.00 0.00 175.35 176.60 1d1j s LYS 69 N 2.81 4.14 0.14 4.03 2.20 -1.26 -2.59 119.74 129.21 1d1j s LYS 69 Ca 0.46 2.61 0.03 0.00 -0.36 0.00 0.00 55.97 58.71 1d1j s LYS 69 Cb -0.17 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 1d1j s LYS 69 CO 0.11 -0.93 -0.06 0.00 -0.36 0.00 0.00 175.35 174.11 1d1j s SER 71 N -3.13 2.76 -0.29 0.00 1.04 -0.32 -2.04 113.70 111.72 1d1j s SER 71 Ca 0.17 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1d1j s SER 71 Cb 0.04 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1d1j s SER 71 CO -0.00 0.19 0.55 -0.69 0.98 0.00 0.00 173.24 174.26 1d1j s VAL 72 N -0.84 5.02 -0.14 5.02 1.01 -1.26 -1.51 120.40 127.69 1d1j s VAL 72 Ca 0.09 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 1d1j s VAL 72 Cb -0.09 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 1d1j s VAL 72 CO 0.02 -0.04 0.70 0.40 0.00 0.00 0.00 175.10 176.18 1d1j h ILE 73 N 5.49 1.67 -3.21 2.22 1.08 -0.28 -3.47 117.51 121.00 1d1j h ILE 73 Ca -0.28 -2.29 -0.16 0.00 -0.39 0.00 0.00 64.86 61.74 1d1j h ILE 73 Cb 1.13 3.20 -0.24 0.00 -3.07 0.00 0.00 36.82 37.84 1d1j h ILE 73 CO 0.75 0.57 -0.43 -0.60 -0.69 0.00 0.00 178.15 177.75 1d1j s ARG 74 N -2.21 0.37 -0.26 2.37 3.52 -0.94 -4.98 118.95 116.82 1d1j s ARG 74 Ca -0.19 0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 1d1j s ARG 74 Cb -0.02 0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1d1j s ARG 74 CO 0.66 -0.07 -0.05 0.34 -0.81 0.00 0.00 175.30 175.37 1d1j s ASP 75 N -0.37 4.48 -0.05 -2.12 2.15 -1.26 -0.88 116.67 118.63 1d1j s ASP 75 Ca -0.05 -1.03 0.07 0.00 0.43 0.00 0.00 52.55 51.98 1d1j s ASP 75 Cb -0.03 -1.67 0.11 0.00 -0.30 0.00 0.00 42.92 41.03 1d1j s ASP 75 CO 0.01 -0.17 1.03 -1.20 -0.17 0.00 0.00 175.17 174.67 1d1j n SER 76 N 4.64 0.95 -0.37 -0.34 7.64 0.51 -4.88 113.62 121.77 1d1j n SER 76 Ca -0.15 -2.36 -0.01 0.00 1.01 0.00 0.00 58.87 57.36 1d1j n SER 76 Cb 0.46 -0.27 0.12 0.00 -1.01 0.00 0.00 64.21 63.51 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 1.11 -2.98 -3.43 5.85 -1.46 -2.67 115.31 111.73 1d1j h LEU 77 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1d1j h LEU 77 Cb 1.20 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1d1j h LEU 77 CO 0.00 0.78 -0.00 -1.22 -0.34 0.00 0.00 178.44 177.66 1d1j n TYR 78 N -4.43 0.00 -2.63 1.25 4.01 -1.26 -4.37 117.16 109.74 1d1j n TYR 78 Ca 0.12 -0.59 -0.32 0.00 -0.16 0.00 0.00 57.90 56.95 1d1j n TYR 78 Cb 0.05 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.36 4.57 0.19 -0.72 -7.23 -1.20 -4.99 120.40 109.67 1d1j s VAL 79 Ca 0.06 1.12 -0.33 0.00 -1.81 0.00 0.00 61.98 61.03 1d1j s VAL 79 Cb 0.06 -3.69 -0.14 0.00 0.56 0.00 0.00 36.38 33.16 1d1j s VAL 79 CO 0.01 -0.55 1.40 0.47 -0.31 0.00 0.00 175.10 176.12 1d1j n ASP 80 N -1.26 2.50 0.00 4.85 8.00 -1.26 -2.25 116.55 127.13 1d1j n ASP 80 Ca 0.06 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1d1j n ASP 80 Cb 0.54 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1d1j n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d1j n GLY 81 N 2.48 0.40 3.30 0.44 0.00 -1.26 -4.97 105.19 105.58 1d1j n GLY 81 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.32 1.08 0.00 1.61 -1.08 -0.95 -5.06 116.67 109.95 1d1j s ASP 82 Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 1d1j s ASP 82 Cb 0.00 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 1d1j s ASP 82 CO 0.00 -0.76 0.95 0.00 0.52 0.00 0.00 175.17 175.88 1d1j s THR 84 N 0.00 2.10 -0.05 0.00 -4.23 -1.13 -0.06 115.64 112.27 1d1j s THR 84 Ca 0.00 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.32 1d1j s THR 84 Cb 0.00 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1d1j s THR 84 CO -0.00 -0.20 0.10 -0.04 -0.54 0.00 0.00 174.62 173.94 1d1j s MET 85 N -3.64 0.06 -0.33 3.99 -1.94 -0.89 -0.36 119.30 116.18 1d1j s MET 85 Ca 0.32 0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 54.46 1d1j s MET 85 Cb 0.03 -0.15 -0.01 0.00 2.01 0.00 0.00 34.83 36.72 1d1j s MET 85 CO 0.16 -0.13 0.20 -0.51 -0.01 0.00 0.00 175.02 174.72 1d1j s ASP 86 N 0.90 5.79 0.34 3.03 1.01 -0.05 -1.48 116.67 126.21 1d1j s ASP 86 Ca -0.07 -0.55 0.09 0.00 0.71 0.00 0.00 52.55 52.72 1d1j s ASP 86 Cb -0.10 -2.06 -0.06 0.00 1.01 0.00 0.00 42.92 41.71 1d1j s ASP 86 CO -0.04 -0.24 -0.02 -0.63 0.21 0.00 0.00 175.17 174.45 1d1j s ILE 87 N 1.65 2.49 -0.18 0.77 1.01 0.14 0.50 121.20 127.58 1d1j s ILE 87 Ca 0.05 -2.03 -0.09 0.00 0.00 0.00 0.00 60.65 58.57 1d1j s ILE 87 Cb -0.17 -2.76 0.07 0.00 0.01 0.00 0.00 42.46 39.60 1d1j s ILE 87 CO 0.08 -0.19 0.43 -0.60 0.00 0.00 0.00 174.94 174.66 1d1j s ARG 88 N -3.69 0.39 0.70 2.79 3.52 -0.57 -0.26 118.95 121.84 1d1j s ARG 88 Ca 0.34 0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 56.67 1d1j s ARG 88 Cb 0.01 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.49 1d1j s ARG 88 CO 0.19 -0.18 1.13 0.95 -0.81 0.00 0.00 175.30 176.58 1d1j s THR 89 N 1.68 2.95 0.19 4.11 -4.23 -0.21 -1.18 115.64 118.95 1d1j s THR 89 Ca -0.08 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1d1j s THR 89 Cb -0.09 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1d1j s THR 89 CO -0.13 -0.29 0.38 -0.54 -0.54 0.00 0.00 174.62 173.50 1d1j s LYS 90 N -4.17 3.54 -0.04 3.99 1.02 0.11 -4.35 119.74 119.84 1d1j s LYS 90 Ca 0.68 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 56.28 1d1j s LYS 90 Cb -0.22 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 1d1j s LYS 90 CO 0.45 0.42 0.29 0.45 -0.92 0.00 0.00 175.35 176.04 1d1j s SER 91 N -2.99 6.60 -0.19 2.83 0.15 -1.26 -4.91 113.70 113.92 1d1j s SER 91 Ca 0.39 0.71 -0.15 0.00 0.70 0.00 0.00 55.95 57.60 1d1j s SER 91 Cb -0.11 -2.16 -0.09 0.00 -1.71 0.00 0.00 66.02 61.96 1d1j s SER 91 CO 0.28 0.33 -0.20 0.00 1.20 0.00 0.00 173.24 174.85 1d1j n GLN 92 N 1.71 0.52 -0.27 5.44 6.02 -1.26 -4.76 117.38 124.78 1d1j n GLN 92 Ca -0.15 0.38 0.08 0.00 -0.01 0.00 0.00 57.00 57.30 1d1j n GLN 92 Cb 0.53 -1.58 0.14 0.00 1.02 0.00 0.00 30.24 30.36 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 1.46 4.47 0.00 1.08 0.00 -1.26 -4.95 105.19 105.99 1d1j n GLY 93 Ca -0.23 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.19 0.87 3.64 -0.02 0.00 -1.26 -5.10 105.19 102.13 1d1j n GLY 94 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1d1j n GLY 94 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1d1j n GLU 95 N -0.83 -0.03 -2.11 1.61 0.00 -1.26 -4.94 120.64 113.09 1d1j n GLU 95 Ca 0.00 0.07 -0.37 0.00 0.00 0.00 0.00 57.16 56.85 1d1j n GLU 95 Cb 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 31.44 29.13 1d1j n GLU 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1d1j s PRO 96 N -4.10 3.47 0.43 3.44 0.04 -1.26 -4.74 135.00 132.28 1d1j s PRO 96 Ca 0.69 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.63 1d1j s PRO 96 Cb -0.27 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 1d1j s PRO 96 CO 0.55 -0.82 0.64 0.95 0.04 0.00 0.00 177.00 178.35 1d1j s THR 97 N -1.51 4.03 -0.02 1.26 -4.23 -1.26 -4.90 115.64 109.00 1d1j s THR 97 Ca 0.68 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1d1j s THR 97 Cb -0.31 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.06 1d1j s THR 97 CO 0.37 -0.31 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.78 1d1j s TYR 98 N -2.49 0.64 0.55 3.99 2.02 -1.26 -4.67 117.35 116.12 1d1j s TYR 98 Ca 0.48 -0.14 -0.17 0.00 -0.37 0.00 0.00 57.07 56.87 1d1j s TYR 98 Cb -0.10 -0.49 -0.06 0.00 -0.40 0.00 0.00 41.96 40.91 1d1j s TYR 98 CO 0.37 -0.09 1.03 -0.80 -1.57 0.00 0.00 175.55 174.49 1d1j s ASN 99 N 0.32 6.19 0.02 2.29 0.01 -1.26 -1.04 114.94 121.46 1d1j s ASN 99 Ca -0.04 1.74 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 1d1j s ASN 99 Cb -0.08 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1d1j s ASN 99 CO -0.00 -0.89 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.98 1d1j s VAL 100 N -2.44 0.18 0.02 1.60 1.01 0.64 -1.18 120.40 120.24 1d1j s VAL 100 Ca 0.62 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1d1j s VAL 100 Cb -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1d1j s VAL 100 CO 0.32 -0.29 -0.11 0.00 0.00 0.00 0.00 175.10 175.02 1d1j s ALA 101 N -0.92 0.91 -0.08 5.51 0.00 -0.10 -0.69 121.76 126.40 1d1j s ALA 101 Ca -0.09 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1d1j s ALA 101 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1d1j s ALA 101 CO -0.00 0.16 -0.21 0.08 0.00 0.00 0.00 175.76 175.79 1d1j s VAL 102 N -0.73 2.40 -0.15 0.00 1.01 -0.55 -1.64 120.40 120.74 1d1j s VAL 102 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1d1j s VAL 102 Cb -0.07 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1d1j s VAL 102 CO 0.01 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.72 1d1j s GLY 103 N -0.08 1.09 -0.42 4.51 0.00 0.89 -2.09 107.32 111.22 1d1j s GLY 103 Ca -0.05 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.61 1d1j s GLY 103 CO 0.04 0.63 0.40 -1.60 0.00 0.00 0.00 173.10 172.57 1d1j s ARG 104 N 1.52 3.07 0.00 2.90 3.52 0.92 -0.03 118.95 130.84 1d1j s ARG 104 Ca 0.04 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1d1j s ARG 104 Cb -0.13 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1d1j s ARG 104 CO -0.10 -0.82 0.00 0.00 -0.81 0.00 0.00 175.30 173.57 1d1j n ALA 105 N 5.48 0.00 -0.71 6.12 0.00 0.18 -4.86 120.51 126.71 1d1j n ALA 105 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1d1j n ALA 105 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1d1j n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1j n GLY 106 N 5.00 -3.05 0.00 0.00 0.00 -1.26 -4.29 105.19 101.60 1d1j n GLY 106 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1d1j n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1j n ARG 107 N -1.14 2.74 -4.54 1.61 1.74 -1.26 -5.03 116.66 110.78 1d1j n ARG 107 Ca 0.00 -1.43 -0.30 0.00 -0.77 0.00 0.00 57.85 55.35 1d1j n ARG 107 Cb 0.00 -0.99 -0.13 0.00 -1.02 0.00 0.00 32.46 30.32 1d1j n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d1j s ALA 108 N -0.93 2.50 -0.19 7.54 0.00 -1.26 -2.66 121.76 126.76 1d1j s ALA 108 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1d1j s ALA 108 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1d1j s ALA 108 CO 0.00 0.56 -0.16 -1.17 0.00 0.00 0.00 175.76 175.00 1d1j s LEU 109 N -1.75 2.35 -0.17 0.00 2.96 0.19 -0.64 118.68 121.62 1d1j s LEU 109 Ca 0.15 -0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 53.28 1d1j s LEU 109 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1d1j s LEU 109 CO 0.06 0.00 0.64 -0.69 -1.32 0.00 0.00 176.35 175.04 1d1j s VAL 110 N 1.31 5.03 -0.09 1.68 1.01 0.96 -0.26 120.40 130.04 1d1j s VAL 110 Ca 0.04 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.27 1d1j s VAL 110 Cb -0.14 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1d1j s VAL 110 CO -0.09 0.15 -0.09 -0.63 0.00 0.00 0.00 175.10 174.43 1d1j s ILE 111 N 1.62 1.04 -0.02 2.22 1.01 0.02 -0.08 121.20 127.01 1d1j s ILE 111 Ca 0.31 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1d1j s ILE 111 Cb -0.16 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1d1j s ILE 111 CO 0.12 0.35 -0.14 0.68 0.00 0.00 0.00 174.94 175.95 1d1j s VAL 112 N 1.21 1.13 -0.19 2.92 -7.23 -0.65 -0.43 120.40 117.15 1d1j s VAL 112 Ca -0.04 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1d1j s VAL 112 Cb -0.14 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.84 1d1j s VAL 112 CO -0.03 0.33 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.65 1d1j s MET 113 N -0.12 3.19 0.60 4.82 1.75 -0.73 -0.92 119.30 127.89 1d1j s MET 113 Ca 0.01 -0.73 -0.13 0.00 -1.25 0.00 0.00 55.69 53.59 1d1j s MET 113 Cb -0.08 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.78 1d1j s MET 113 CO 0.00 -0.18 1.03 0.20 -0.65 0.00 0.00 175.02 175.42 1d1j s GLY 114 N 1.31 1.81 0.97 2.11 0.00 -0.33 -0.98 107.32 112.21 1d1j s GLY 114 Ca 0.04 0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 1d1j s GLY 114 CO -0.07 0.34 1.02 0.28 0.00 0.00 0.00 173.10 174.67 1d1j n LYS 115 N -2.44 -2.15 -1.96 2.90 5.02 -0.33 -4.46 118.16 114.75 1d1j n LYS 115 Ca 0.07 -1.60 -0.42 0.00 -2.02 0.00 0.00 58.31 54.34 1d1j n LYS 115 Cb 0.54 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1d1j n LYS 115 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1d1j s GLU 116 N -5.27 4.23 0.00 1.97 2.12 -1.26 -2.69 118.70 117.80 1d1j s GLU 116 Ca 0.62 2.36 0.00 0.00 0.36 0.00 0.00 54.97 58.31 1d1j s GLU 116 Cb -0.04 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1d1j s GLU 116 CO 0.46 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1d1j n GLY 117 N 2.68 2.35 3.69 -1.50 0.00 -1.26 -5.02 105.19 106.12 1d1j n GLY 117 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.32 3.71 0.57 1.61 1.01 -1.10 -4.98 120.40 118.89 1d1j s VAL 118 Ca 0.00 1.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 1d1j s VAL 118 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1d1j s VAL 118 CO 0.00 -0.00 1.11 -1.00 0.00 0.00 0.00 175.10 175.20 1d1j s HIS 119 N 2.43 2.72 0.29 5.22 0.09 -1.26 -4.55 115.29 120.23 1d1j s HIS 119 Ca 0.64 1.55 -0.01 0.00 -0.00 0.00 0.00 55.06 57.23 1d1j s HIS 119 Cb -0.31 -3.21 0.43 0.00 -0.00 0.00 0.00 32.58 29.48 1d1j s HIS 119 CO 0.26 -1.48 1.87 0.78 -0.00 0.00 0.00 174.74 176.18 1d1j h GLY 120 N 0.92 0.96 0.76 -2.22 0.00 -1.96 -2.66 103.07 98.87 1d1j h GLY 120 Ca -0.49 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.41 1d1j h GLY 120 CO 0.57 0.46 0.63 -1.33 0.00 0.00 0.00 176.54 176.86 1d1j h GLY 121 N 0.99 1.47 0.96 4.60 0.00 -1.98 0.46 103.07 109.57 1d1j h GLY 121 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1d1j h GLY 121 CO -0.02 0.34 -0.01 -0.84 0.00 0.00 0.00 176.54 176.01 1d1j h THR 122 N 1.15 0.97 -0.16 4.70 2.02 -1.87 -2.15 112.91 117.57 1d1j h THR 122 Ca 0.42 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.45 1d1j h THR 122 Cb 0.14 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1d1j h THR 122 CO -0.16 0.00 -0.50 -0.07 0.37 0.00 0.00 175.52 175.16 1d1j h LEU 123 N -0.02 0.48 -0.44 2.58 3.38 -1.29 -1.77 115.31 118.23 1d1j h LEU 123 Ca 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1d1j h LEU 123 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1d1j h LEU 123 CO -0.02 0.90 0.26 -1.13 0.09 0.00 0.00 178.44 178.55 1d1j h ASN 124 N 0.35 0.53 1.36 -0.43 -0.73 0.03 -0.57 115.58 116.11 1d1j h ASN 124 Ca 0.02 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 1d1j h ASN 124 Cb 1.00 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1d1j h ASN 124 CO 0.09 0.43 -0.40 0.11 -0.37 0.00 0.00 177.43 177.28 1d1j h LYS 125 N 0.58 0.00 -0.09 6.67 1.79 -1.36 0.29 116.57 124.45 1d1j h LYS 125 Ca 0.16 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1d1j h LYS 125 Cb -0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1d1j h LYS 125 CO -0.03 0.40 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.48 1d1j h LYS 126 N 0.00 0.20 -0.20 3.15 3.64 -0.90 0.16 116.57 122.62 1d1j h LYS 126 Ca -0.00 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1d1j h LYS 126 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1d1j h LYS 126 CO 0.05 0.55 -0.09 0.00 -2.27 0.00 0.00 179.45 177.70 1d1j h ALA 127 N 0.64 0.28 -0.29 5.00 0.00 -1.11 -2.88 119.26 120.90 1d1j h ALA 127 Ca 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1d1j h ALA 127 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1d1j h ALA 127 CO 0.01 0.10 -0.03 -0.92 0.00 0.00 0.00 179.25 178.42 1d1j h TYR 128 N 0.12 -0.07 -0.41 0.00 3.20 -0.91 -1.23 116.97 117.67 1d1j h TYR 128 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1d1j h TYR 128 Cb 0.56 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1d1j h TYR 128 CO 0.06 -0.08 0.26 0.93 -1.64 0.00 0.00 178.16 177.69 1d1j h GLU 129 N 0.05 0.51 -0.36 1.82 4.39 -0.68 -0.48 114.58 119.83 1d1j h GLU 129 Ca 0.14 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1d1j h GLU 129 Cb 0.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1d1j h GLU 129 CO -0.26 0.33 -0.23 1.25 -1.16 0.00 0.00 179.01 178.95 1d1j h LEU 130 N 0.52 0.71 -0.48 1.33 5.85 -1.27 -1.39 115.31 120.59 1d1j h LEU 130 Ca 0.16 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1d1j h LEU 130 Cb -0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1d1j h LEU 130 CO -0.05 0.92 0.09 0.00 -0.34 0.00 0.00 178.44 179.06 1d1j h ALA 131 N 1.14 0.63 -0.78 1.25 0.00 -1.03 -1.31 119.26 119.15 1d1j h ALA 131 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1d1j h ALA 131 Cb 0.71 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1d1j h ALA 131 CO 0.05 0.34 0.35 1.25 0.00 0.00 0.00 179.25 181.25 1d1j h LEU 132 N 0.65 1.04 -0.24 0.00 5.85 -0.90 0.01 115.31 121.73 1d1j h LEU 132 Ca 0.15 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1d1j h LEU 132 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1d1j h LEU 132 CO 0.01 0.90 0.11 0.22 -0.34 0.00 0.00 178.44 179.34 1d1j h TYR 133 N 1.12 0.34 -0.64 1.25 3.20 -1.04 -1.63 116.97 119.58 1d1j h TYR 133 Ca 0.27 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1d1j h TYR 133 Cb 0.15 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1d1j h TYR 133 CO 0.01 0.35 0.31 -0.07 -1.64 0.00 0.00 178.16 177.12 1d1j h LEU 134 N 0.24 0.84 -0.35 2.82 3.38 -0.81 -2.48 115.31 118.95 1d1j h LEU 134 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1d1j h LEU 134 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1d1j h LEU 134 CO -0.01 0.73 0.14 0.03 0.09 0.00 0.00 178.44 179.42 1d1j h ARG 135 N 0.88 0.52 0.00 1.13 3.08 -0.92 -2.57 114.38 116.50 1d1j h ARG 135 Ca 0.22 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1d1j h ARG 135 Cb 0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1d1j h ARG 135 CO -0.03 0.51 -0.02 0.00 -1.07 0.00 0.00 179.97 179.36 1d1j h ARG 136 N 0.41 0.00 -1.98 0.04 3.08 -1.14 -2.55 114.38 112.24 1d1j h ARG 136 Ca 0.12 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.43 1d1j h ARG 136 Cb 0.19 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 29.93 1d1j h ARG 136 CO -0.01 0.02 0.64 0.43 -1.07 0.00 0.00 179.97 179.99 1d1j n SER 137 N -3.31 6.82 0.00 7.04 7.64 -0.95 -5.10 113.62 125.76 1d1j n SER 137 Ca -0.02 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1d1j n SER 137 Cb 0.15 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1d1j n SER 137 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13