#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1j s GLU 8 N 0.00 0.60 0.01 -1.58 2.56 -1.26 -4.55 118.70 114.47 1s1j s GLU 8 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 54.97 54.20 1s1j s GLU 8 Cb 0.00 0.25 0.10 0.00 2.00 0.00 0.00 34.13 36.48 1s1j s GLU 8 CO 0.00 -0.16 0.83 0.00 -0.56 0.00 0.00 175.26 175.37 1s1j s ALA 9 N -1.92 -1.79 -0.10 6.30 0.00 -0.75 -5.02 121.76 118.49 1s1j s ALA 9 Ca -0.10 1.00 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1s1j s ALA 9 Cb -0.04 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1s1j s ALA 9 CO -0.01 -0.64 -0.22 0.54 0.00 0.00 0.00 175.76 175.44 1s1j s VAL 10 N -2.90 1.87 -0.29 0.00 0.11 -1.26 0.08 120.40 118.01 1s1j s VAL 10 Ca 0.02 -0.91 -0.16 0.00 -2.93 0.00 0.00 61.98 58.00 1s1j s VAL 10 Cb -0.01 -1.63 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1s1j s VAL 10 CO -0.07 0.52 0.44 -0.63 -3.33 0.00 0.00 175.10 172.02 1s1j s ILE 11 N 0.43 5.11 -0.09 7.04 -1.09 0.19 -4.91 121.20 127.88 1s1j s ILE 11 Ca -0.17 0.55 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1s1j s ILE 11 Cb -0.17 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1s1j s ILE 11 CO 0.07 0.04 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.00 1s1j s ILE 12 N 2.20 1.73 0.22 2.92 1.01 -1.26 -0.58 121.20 127.43 1s1j s ILE 12 Ca 0.17 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1s1j s ILE 12 Cb -0.16 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1s1j s ILE 12 CO 0.11 0.49 0.12 0.00 0.00 0.00 0.00 174.94 175.66 1s1j s MET 13 N 0.54 1.27 0.11 2.79 0.23 -0.14 -2.34 119.30 121.77 1s1j s MET 13 Ca -0.15 -1.68 -0.00 0.00 -1.03 0.00 0.00 55.69 52.82 1s1j s MET 13 Cb -0.17 0.13 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 1s1j s MET 13 CO 0.06 -0.37 0.02 -0.80 -2.03 0.00 0.00 175.02 171.89 1s1j s ASN 14 N -3.21 0.54 -0.18 -1.18 0.01 0.17 -0.87 114.94 110.23 1s1j s ASN 14 Ca 0.39 -1.14 -0.00 0.00 -0.71 0.00 0.00 52.86 51.39 1s1j s ASN 14 Cb 0.07 0.23 0.04 0.00 0.41 0.00 0.00 41.25 42.01 1s1j s ASN 14 CO 0.13 -0.66 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.32 1s1j s VAL 15 N -3.93 1.19 0.29 1.60 1.01 -0.57 -0.17 120.40 119.82 1s1j s VAL 15 Ca 0.19 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1s1j s VAL 15 Cb 0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1s1j s VAL 15 CO -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 175.10 175.11 1s1j s ALA 16 N 1.59 2.45 0.50 5.51 0.00 -0.29 -0.70 121.76 130.82 1s1j s ALA 16 Ca -0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 51.96 49.91 1s1j s ALA 16 Cb -0.16 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1s1j s ALA 16 CO -0.08 -0.03 0.90 0.00 0.00 0.00 0.00 175.76 176.55 1s1j s ALA 17 N -2.93 3.21 0.60 0.00 0.00 -0.03 -0.71 121.76 121.89 1s1j s ALA 17 Ca 0.30 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1s1j s ALA 17 Cb 0.03 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1s1j s ALA 17 CO 0.13 -0.30 1.17 -1.01 0.00 0.00 0.00 175.76 175.75 1s1j s HIS 18 N -2.70 2.48 0.24 0.00 3.76 -1.26 -4.83 115.29 112.97 1s1j s HIS 18 Ca 0.54 1.54 -0.31 0.00 -0.15 0.00 0.00 55.06 56.68 1s1j s HIS 18 Cb -0.10 -3.38 -0.14 0.00 1.11 0.00 0.00 32.58 30.07 1s1j s HIS 18 CO 0.39 -1.97 1.31 0.72 -0.85 0.00 0.00 174.74 174.34 1s1j n HIS 19 N -1.71 1.91 -0.39 1.40 8.25 -1.26 -2.10 115.22 121.33 1s1j n HIS 19 Ca 0.13 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1s1j n HIS 19 Cb 0.50 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.21 1s1j n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1j n GLY 20 N 1.92 0.80 3.67 -1.41 0.00 -1.26 -5.05 105.19 103.87 1s1j n GLY 20 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1s1j n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s1j s SER 21 N -2.01 0.03 0.10 1.61 1.04 -0.89 -5.18 113.70 108.41 1s1j s SER 21 Ca 0.00 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.48 1s1j s SER 21 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1s1j s SER 21 CO 0.00 -1.31 -0.07 -1.61 0.98 0.00 0.00 173.24 171.23 1s1j s GLU 22 N -3.57 0.86 0.46 4.02 2.02 -1.26 -4.63 118.70 116.60 1s1j s GLU 22 Ca 0.20 -1.34 -0.20 0.00 0.02 0.00 0.00 54.97 53.65 1s1j s GLU 22 Cb -0.03 -0.27 -0.10 0.00 0.10 0.00 0.00 34.13 33.84 1s1j s GLU 22 CO 0.11 -0.00 0.98 -0.51 0.02 0.00 0.00 175.26 175.86 1s1j s LEU 23 N -3.02 3.87 -0.39 1.80 1.43 0.60 -4.85 118.68 118.12 1s1j s LEU 23 Ca 0.12 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 1s1j s LEU 23 Cb 0.04 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1s1j s LEU 23 CO -0.04 -0.54 1.32 0.21 0.23 0.00 0.00 176.35 177.53 1s1j s ASN 24 N -2.20 6.51 0.18 2.29 3.84 -1.26 -3.12 114.94 121.18 1s1j s ASN 24 Ca 0.64 0.87 -0.13 0.00 0.21 0.00 0.00 52.86 54.45 1s1j s ASN 24 Cb -0.12 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.19 1s1j s ASN 24 CO 0.17 -1.28 1.76 1.23 -2.79 0.00 0.00 177.10 176.19 1s1j h GLY 25 N 11.55 0.65 1.00 1.21 0.00 -1.15 0.43 103.07 116.76 1s1j h GLY 25 Ca -0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1s1j h GLY 25 CO 1.08 0.03 0.29 -2.09 0.00 0.00 0.00 176.54 175.85 1s1j h GLU 26 N 0.37 0.90 -0.57 4.80 4.81 -1.58 -1.43 114.58 121.88 1s1j h GLU 26 Ca 0.23 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1s1j h GLU 26 Cb 0.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1s1j h GLU 26 CO -0.22 0.73 0.04 1.25 -0.73 0.00 0.00 179.01 180.08 1s1j h LEU 27 N 0.85 0.91 0.06 1.64 5.85 -1.79 -2.03 115.31 120.81 1s1j h LEU 27 Ca 0.21 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s1j h LEU 27 Cb 0.13 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1s1j h LEU 27 CO -0.03 0.94 -0.03 0.25 -0.34 0.00 0.00 178.44 179.23 1s1j h LEU 28 N 0.88 -0.07 -0.64 2.25 5.85 -0.46 -0.91 115.31 122.21 1s1j h LEU 28 Ca 0.17 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1s1j h LEU 28 Cb 0.46 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1s1j h LEU 28 CO 0.02 0.01 0.39 -0.07 -0.34 0.00 0.00 178.44 178.46 1s1j h LEU 29 N -0.16 0.64 -0.95 2.25 3.38 -1.15 0.18 115.31 119.50 1s1j h LEU 29 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1s1j h LEU 29 Cb 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1s1j h LEU 29 CO 0.01 0.45 0.17 0.78 0.09 0.00 0.00 178.44 179.94 1s1j h ASN 30 N 0.77 0.87 0.53 -0.43 4.21 -1.21 -2.14 115.58 118.18 1s1j h ASN 30 Ca 0.26 -0.15 -0.15 0.00 1.21 0.00 0.00 56.30 57.46 1s1j h ASN 30 Cb 0.03 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 1s1j h ASN 30 CO -0.11 0.83 -0.67 0.77 -1.29 0.00 0.00 177.43 176.97 1s1j h SER 31 N 0.89 0.14 -0.47 5.81 4.64 -0.41 -1.28 113.55 122.87 1s1j h SER 31 Ca 0.20 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1s1j h SER 31 Cb 0.29 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1s1j h SER 31 CO -0.00 0.76 -0.05 0.40 -0.87 0.00 0.00 176.83 177.07 1s1j h ILE 32 N 0.08 1.27 -0.35 0.95 2.04 -0.39 0.15 117.51 121.26 1s1j h ILE 32 Ca -0.01 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 1s1j h ILE 32 Cb 1.19 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1s1j h ILE 32 CO 0.10 0.40 -0.15 1.56 0.00 0.00 0.00 178.15 180.05 1s1j h GLN 33 N 0.72 0.73 -0.25 2.37 4.20 -1.29 -2.19 115.11 119.40 1s1j h GLN 33 Ca 0.13 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1s1j h GLN 33 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1s1j h GLN 33 CO 0.03 0.92 -0.01 0.37 -0.67 0.00 0.00 178.83 179.47 1s1j h GLN 34 N 0.51 0.38 0.00 1.46 4.15 -1.03 -1.16 115.11 119.42 1s1j h GLN 34 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1s1j h GLN 34 Cb 0.69 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1s1j h GLN 34 CO 0.05 0.41 0.00 0.00 -1.93 0.00 0.00 178.83 177.36 1s1j n ALA 35 N -2.49 1.78 0.00 3.38 0.00 0.51 -4.89 120.51 118.80 1s1j n ALA 35 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1s1j n ALA 35 Cb 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1s1j n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1j n GLY 36 N 0.25 0.84 3.81 0.00 0.00 -0.44 -4.94 105.19 104.70 1s1j n GLY 36 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1s1j n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1j s PHE 37 N -2.00 3.01 -0.03 1.61 0.40 -0.84 -4.76 117.98 115.37 1s1j s PHE 37 Ca 0.00 1.46 0.01 0.00 -0.60 0.00 0.00 56.93 57.80 1s1j s PHE 37 Cb 0.00 -2.94 0.02 0.00 0.51 0.00 0.00 43.02 40.61 1s1j s PHE 37 CO 0.00 -1.28 -0.03 0.42 0.70 0.00 0.00 175.22 175.03 1s1j s ILE 38 N -2.86 0.40 0.22 0.64 1.01 -0.29 -4.47 121.20 115.85 1s1j s ILE 38 Ca 0.60 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 1s1j s ILE 38 Cb -0.15 -0.43 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 1s1j s ILE 38 CO 0.50 0.18 1.46 0.12 0.00 0.00 0.00 174.94 177.20 1s1j s PHE 39 N 0.73 3.06 0.00 3.97 2.19 -1.26 -1.18 117.98 125.49 1s1j s PHE 39 Ca -0.09 0.94 0.00 0.00 0.33 0.00 0.00 56.93 58.11 1s1j s PHE 39 Cb -0.12 -3.82 0.00 0.00 -1.31 0.00 0.00 43.02 37.77 1s1j s PHE 39 CO -0.00 -2.78 0.00 0.41 1.83 0.00 0.00 175.22 174.68 1s1j n GLY 40 N 2.66 3.26 3.32 13.12 0.00 -0.53 -4.93 105.19 122.09 1s1j n GLY 40 Ca 0.09 -0.11 -0.50 0.00 0.00 0.00 0.00 46.02 45.50 1s1j n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1j n ASP 41 N 0.00 -0.78 -1.51 1.61 8.00 -1.26 -1.43 116.55 121.18 1s1j n ASP 41 Ca 0.00 1.10 -0.18 0.00 0.71 0.00 0.00 54.79 56.42 1s1j n ASP 41 Cb 0.00 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.13 1s1j n ASP 41 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1s1j n MET 42 N 1.14 -1.29 -3.89 -1.24 2.81 -1.26 -2.99 117.12 110.40 1s1j n MET 42 Ca 0.18 1.08 -0.30 0.00 -1.81 0.00 0.00 57.70 56.86 1s1j n MET 42 Cb 0.18 -5.39 0.03 0.00 -0.71 0.00 0.00 33.22 27.33 1s1j n MET 42 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1s1j n ASN 43 N -1.01 -4.79 -3.91 7.83 3.02 -0.51 -4.84 115.26 111.04 1s1j n ASN 43 Ca -0.19 -0.77 -0.23 0.00 -0.03 0.00 0.00 54.58 53.37 1s1j n ASN 43 Cb 0.61 -3.95 -0.08 0.00 -0.61 0.00 0.00 39.78 35.74 1s1j n ASN 43 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1s1j s ILE 44 N -3.31 0.41 0.13 2.41 -4.36 -1.16 -2.27 121.20 113.05 1s1j s ILE 44 Ca 0.64 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.00 1s1j s ILE 44 Cb -0.32 -2.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 1s1j s ILE 44 CO 0.82 0.00 0.34 -0.31 0.24 0.00 0.00 174.94 176.03 1s1j s TYR 45 N -3.33 3.49 0.00 1.37 1.51 -0.76 -1.45 117.35 118.18 1s1j s TYR 45 Ca 0.30 0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1s1j s TYR 45 Cb 0.03 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1s1j s TYR 45 CO 0.18 0.46 0.02 -1.01 -1.11 0.00 0.00 175.55 174.10 1s1j s HIS 46 N -1.66 0.09 -0.25 2.71 3.76 -0.32 -0.79 115.29 118.83 1s1j s HIS 46 Ca 0.39 -0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 55.02 1s1j s HIS 46 Cb -0.12 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 1s1j s HIS 46 CO 0.26 -0.12 0.15 0.50 -0.85 0.00 0.00 174.74 174.68 1s1j s ARG 47 N -0.72 3.97 0.51 1.40 6.06 -0.16 -1.14 118.95 128.87 1s1j s ARG 47 Ca -0.08 -0.32 0.08 0.00 -2.50 0.00 0.00 55.73 52.91 1s1j s ARG 47 Cb -0.05 -3.51 0.04 0.00 0.06 0.00 0.00 34.95 31.49 1s1j s ARG 47 CO -0.00 -0.02 0.61 -1.01 -2.50 0.00 0.00 175.30 172.37 1s1j s HIS 48 N 1.28 1.97 0.38 5.12 3.76 -1.26 0.53 115.29 127.06 1s1j s HIS 48 Ca 0.07 -0.64 0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1s1j s HIS 48 Cb -0.14 -2.19 0.75 0.00 1.11 0.00 0.00 32.58 32.11 1s1j s HIS 48 CO 0.06 -0.71 1.87 -0.07 -0.85 0.00 0.00 174.74 175.04 1s1j h LEU 49 N 0.52 0.12 -3.70 0.89 3.38 -1.62 -3.23 115.31 111.67 1s1j h LEU 49 Ca -0.35 -0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.13 1s1j h LEU 49 Cb 1.29 -0.03 -0.36 0.00 0.09 0.00 0.00 40.66 41.64 1s1j h LEU 49 CO 0.47 0.38 -0.79 -0.24 0.09 0.00 0.00 178.44 178.36 1s1j n SER 50 N -4.19 4.29 -0.52 -0.43 2.88 -1.22 -5.01 113.62 109.41 1s1j n SER 50 Ca -0.01 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 1s1j n SER 50 Cb 0.34 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1s1j n SER 50 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1s1j n PRO 51 N -0.76 -0.27 0.00 -1.46 -0.02 -1.22 -3.97 135.00 127.31 1s1j n PRO 51 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1s1j n PRO 51 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.40 1s1j n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s1j n ASP 52 N 0.15 0.29 0.00 2.55 5.75 -1.26 -4.99 116.55 119.04 1s1j n ASP 52 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1s1j n ASP 52 Cb 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1s1j n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s1j n GLY 53 N 0.17 1.77 3.80 6.12 0.00 -1.25 -5.09 105.19 110.69 1s1j n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1s1j n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s1j s SER 54 N -0.29 5.31 0.00 1.61 1.04 -1.26 -4.88 113.70 115.22 1s1j s SER 54 Ca 0.00 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1s1j s SER 54 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1s1j s SER 54 CO 0.00 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.34 1s1j n GLY 55 N -1.27 -0.81 3.73 7.32 0.00 -1.26 -3.41 105.19 109.50 1s1j n GLY 55 Ca 0.09 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1s1j n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s1j s PRO 56 N -1.76 1.91 0.20 1.61 0.04 -1.26 -4.66 135.00 131.08 1s1j s PRO 56 Ca 0.00 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1s1j s PRO 56 Cb 0.00 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1s1j s PRO 56 CO 0.00 -1.94 0.96 0.00 0.04 0.00 0.00 177.00 176.06 1s1j s ALA 57 N -2.68 3.31 -0.23 8.56 0.00 -1.26 -2.47 121.76 126.99 1s1j s ALA 57 Ca 0.65 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1s1j s ALA 57 Cb -0.20 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.51 1s1j s ALA 57 CO 0.54 0.12 -0.02 1.28 0.00 0.00 0.00 175.76 177.68 1s1j n LEU 58 N 1.89 2.07 -3.73 0.00 4.77 0.19 -4.77 117.00 117.42 1s1j n LEU 58 Ca -0.01 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1s1j n LEU 58 Cb 0.48 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1s1j n LEU 58 CO 0.51 0.50 0.15 0.72 -1.33 0.00 0.00 177.39 177.94 1s1j s PHE 59 N -2.45 -0.06 0.31 -1.77 -0.12 -1.20 -4.58 117.98 108.11 1s1j s PHE 59 Ca -0.32 -0.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.33 1s1j s PHE 59 Cb 0.10 0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 1s1j s PHE 59 CO 0.57 -0.77 0.00 -1.12 -0.05 0.00 0.00 175.22 173.86 1s1j s SER 60 N -2.85 2.71 -0.04 1.98 0.01 0.16 -0.99 113.70 114.68 1s1j s SER 60 Ca 0.07 -1.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.02 1s1j s SER 60 Cb 0.01 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1s1j s SER 60 CO -0.07 -0.48 0.05 -0.22 0.41 0.00 0.00 173.24 172.93 1s1j s LEU 61 N -3.49 0.24 0.33 2.44 0.20 0.03 -1.14 118.68 117.29 1s1j s LEU 61 Ca 0.33 0.06 0.08 0.00 0.69 0.00 0.00 54.13 55.29 1s1j s LEU 61 Cb 0.07 -0.17 -0.06 0.00 -0.43 0.00 0.00 46.19 45.59 1s1j s LEU 61 CO 0.14 -0.24 -0.07 0.00 -0.29 0.00 0.00 176.35 175.89 1s1j s ALA 62 N 2.08 2.77 0.38 5.97 0.00 0.19 -1.83 121.76 131.33 1s1j s ALA 62 Ca 0.04 -2.05 -0.22 0.00 0.00 0.00 0.00 51.96 49.73 1s1j s ALA 62 Cb -0.12 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1s1j s ALA 62 CO -0.03 0.01 0.92 1.21 0.00 0.00 0.00 175.76 177.86 1s1j s ASN 63 N -3.56 7.03 0.27 0.00 3.04 0.14 0.15 114.94 122.02 1s1j s ASN 63 Ca 0.32 1.67 0.12 0.00 0.04 0.00 0.00 52.86 55.01 1s1j s ASN 63 Cb 0.04 -2.53 0.33 0.00 -1.54 0.00 0.00 41.25 37.55 1s1j s ASN 63 CO 0.15 -0.25 1.58 0.24 -3.04 0.00 0.00 177.10 175.79 1s1j h MET 64 N 2.35 0.00 -6.30 0.43 2.86 -1.67 -3.36 114.93 109.24 1s1j h MET 64 Ca -0.48 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.59 1s1j h MET 64 Cb 1.18 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 1s1j h MET 64 CO 0.63 0.61 1.02 0.08 1.06 0.00 0.00 176.91 180.31 1s1j s VAL 65 N -3.44 3.97 0.49 -2.22 1.01 -1.26 -4.79 120.40 114.16 1s1j s VAL 65 Ca -0.00 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 1s1j s VAL 65 Cb 0.12 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1s1j s VAL 65 CO 0.75 -0.35 1.21 1.17 0.00 0.00 0.00 175.10 177.88 1s1j n LYS 66 N 7.35 1.62 0.00 2.72 4.81 -1.26 0.46 118.16 133.85 1s1j n LYS 66 Ca 0.16 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1s1j n LYS 66 Cb 0.46 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1s1j n LYS 66 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1s1j n PRO 67 N -0.43 0.78 -0.85 1.64 -0.04 -1.26 -4.92 135.00 129.93 1s1j n PRO 67 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1s1j n PRO 67 Cb 0.42 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1s1j n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1j n GLY 68 N 0.26 0.82 3.96 0.55 0.00 0.17 -4.96 105.19 106.00 1s1j n GLY 68 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1s1j n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1j s THR 69 N -3.20 3.91 0.26 2.61 -4.23 -1.26 -0.68 115.64 113.04 1s1j s THR 69 Ca 0.00 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1s1j s THR 69 Cb 0.00 -3.42 -0.06 0.00 1.34 0.00 0.00 72.50 70.36 1s1j s THR 69 CO 0.00 -0.26 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.44 1s1j s PHE 70 N -2.47 1.75 -0.27 3.99 0.40 -0.96 -4.75 117.98 115.67 1s1j s PHE 70 Ca 0.48 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1s1j s PHE 70 Cb -0.10 -1.02 0.07 0.00 0.51 0.00 0.00 43.02 42.48 1s1j s PHE 70 CO 0.36 0.09 -0.03 0.34 0.70 0.00 0.00 175.22 176.68 1s1j s ASP 71 N -3.38 4.17 0.55 1.36 -1.08 -1.26 -4.84 116.67 112.19 1s1j s ASP 71 Ca 0.29 -1.47 0.39 0.00 -0.52 0.00 0.00 52.55 51.24 1s1j s ASP 71 Cb 0.05 -1.31 1.58 0.00 -1.46 0.00 0.00 42.92 41.78 1s1j s ASP 71 CO 0.10 -0.27 1.77 -0.65 0.52 0.00 0.00 175.17 176.64 1s1j h PRO 72 N 7.86 0.00 -0.02 4.34 0.11 -2.00 0.11 132.00 142.41 1s1j h PRO 72 Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1s1j h PRO 72 Cb 1.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s1j h PRO 72 CO 0.45 0.00 -0.19 0.39 -0.21 0.00 0.00 178.00 178.44 1s1j n GLU 73 N -4.14 1.75 -3.27 1.05 1.02 -1.26 -4.59 120.64 111.20 1s1j n GLU 73 Ca 0.28 -1.44 -0.44 0.00 -0.02 0.00 0.00 57.16 55.54 1s1j n GLU 73 Cb 1.36 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 31.36 1s1j n GLU 73 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1s1j n MET 74 N 0.69 3.75 -0.08 3.49 1.56 0.39 -4.83 117.12 122.08 1s1j n MET 74 Ca 0.11 -4.49 0.11 0.00 -0.27 0.00 0.00 57.70 53.16 1s1j n MET 74 Cb 0.50 -2.53 0.36 0.00 2.15 0.00 0.00 33.22 33.70 1s1j n MET 74 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1s1j n LYS 75 N 2.31 1.81 -3.47 2.12 -0.00 -1.26 -4.66 118.16 115.01 1s1j n LYS 75 Ca 0.24 -1.21 -0.43 0.00 -0.00 0.00 0.00 58.31 56.92 1s1j n LYS 75 Cb 0.37 -1.41 -0.04 0.00 -0.00 0.00 0.00 35.03 33.95 1s1j n LYS 75 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1s1j s ASP 76 N -1.59 6.38 0.22 -5.58 -4.77 -1.26 -1.90 116.67 108.17 1s1j s ASP 76 Ca 0.33 -3.01 -0.23 0.00 -3.30 0.00 0.00 52.55 46.34 1s1j s ASP 76 Cb 0.18 -2.08 0.05 0.00 -1.09 0.00 0.00 42.92 39.98 1s1j s ASP 76 CO 0.27 -0.43 0.87 0.72 0.70 0.00 0.00 175.17 177.30 1s1j s PHE 77 N -0.32 -0.11 0.21 2.11 -0.12 -1.26 -5.06 117.98 113.43 1s1j s PHE 77 Ca 0.21 -0.29 0.03 0.00 -0.05 0.00 0.00 56.93 56.82 1s1j s PHE 77 Cb -0.12 0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1s1j s PHE 77 CO -0.08 -1.05 0.01 0.95 -0.05 0.00 0.00 175.22 175.00 1s1j s THR 78 N -3.32 0.84 -0.08 -4.49 -4.23 -1.26 -0.66 115.64 102.44 1s1j s THR 78 Ca 0.13 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 1s1j s THR 78 Cb -0.03 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.60 1s1j s THR 78 CO 0.05 -0.36 0.66 0.28 -0.54 0.00 0.00 174.62 174.71 1s1j s THR 79 N -3.55 0.00 0.26 3.99 -1.32 -1.18 -4.92 115.64 108.92 1s1j s THR 79 Ca 0.27 -0.02 0.36 0.00 -1.21 0.00 0.00 61.69 61.09 1s1j s THR 79 Cb 0.06 -0.98 0.40 0.00 -1.51 0.00 0.00 72.50 70.47 1s1j s THR 79 CO 0.07 -0.01 2.09 -0.65 -2.21 0.00 0.00 174.62 173.91 1s1j h PRO 80 N 3.33 0.00 0.00 7.08 0.11 -1.91 0.17 132.00 140.78 1s1j h PRO 80 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1s1j h PRO 80 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1s1j h PRO 80 CO 0.34 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 1s1j n GLY 81 N -0.28 -1.97 3.27 -0.55 0.00 -1.26 -0.85 105.19 103.55 1s1j n GLY 81 Ca -0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1s1j n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1j s VAL 82 N -2.57 0.94 -0.10 1.61 -7.23 0.12 -1.80 120.40 111.38 1s1j s VAL 82 Ca 0.00 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1s1j s VAL 82 Cb 0.00 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1s1j s VAL 82 CO 0.00 -0.52 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.16 1s1j s THR 83 N -3.48 1.97 -0.18 5.32 2.01 0.12 -1.51 115.64 119.89 1s1j s THR 83 Ca 0.23 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 1s1j s THR 83 Cb 0.05 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1s1j s THR 83 CO 0.04 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 1s1j s ILE 84 N 0.44 3.41 0.04 1.82 1.01 -0.05 -0.63 121.20 127.24 1s1j s ILE 84 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1s1j s ILE 84 Cb -0.17 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1s1j s ILE 84 CO 0.07 0.47 -0.04 0.72 0.00 0.00 0.00 174.94 176.16 1s1j s PHE 85 N 0.86 0.47 -0.04 3.97 -0.71 -0.29 -0.96 117.98 121.28 1s1j s PHE 85 Ca -0.02 -0.73 -0.01 0.00 -1.04 0.00 0.00 56.93 55.13 1s1j s PHE 85 Cb -0.15 -0.32 0.03 0.00 -1.21 0.00 0.00 43.02 41.38 1s1j s PHE 85 CO 0.01 -0.23 0.07 1.41 -1.34 0.00 0.00 175.22 175.15 1s1j s MET 86 N -2.47 0.00 -0.08 1.99 1.75 0.26 -0.66 119.30 120.08 1s1j s MET 86 Ca -0.05 0.28 -0.22 0.00 -1.25 0.00 0.00 55.69 54.45 1s1j s MET 86 Cb -0.03 -0.25 -0.04 0.00 2.84 0.00 0.00 34.83 37.35 1s1j s MET 86 CO -0.04 -0.19 0.66 -1.14 -0.65 0.00 0.00 175.02 173.66 1s1j s GLN 87 N 1.26 4.41 0.06 4.11 2.00 -1.26 0.54 119.66 130.78 1s1j s GLN 87 Ca -0.07 0.79 0.10 0.00 -2.00 0.00 0.00 55.36 54.18 1s1j s GLN 87 Cb -0.12 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 30.20 1s1j s GLN 87 CO -0.04 0.06 -0.26 0.14 -0.50 0.00 0.00 175.29 174.69 1s1j s VAL 88 N 0.84 2.17 0.60 1.34 -7.23 0.11 -3.73 120.40 114.50 1s1j s VAL 88 Ca 0.35 -1.45 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1s1j s VAL 88 Cb -0.17 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1s1j s VAL 88 CO 0.16 0.32 1.27 -2.16 -0.31 0.00 0.00 175.10 174.38 1s1j s PRO 89 N -1.38 2.90 0.40 4.82 0.04 -1.26 -1.82 135.00 138.70 1s1j s PRO 89 Ca 0.12 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1s1j s PRO 89 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1s1j s PRO 89 CO 0.03 -1.31 0.08 -1.54 0.04 0.00 0.00 177.00 174.30 1s1j s SER 90 N -1.38 2.95 0.65 6.66 1.04 -1.24 -5.07 113.70 117.31 1s1j s SER 90 Ca 0.77 -1.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.52 1s1j s SER 90 Cb -0.35 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 1s1j s SER 90 CO 0.38 -0.81 1.04 -0.31 0.98 0.00 0.00 173.24 174.53 1s1j s TYR 91 N -3.15 3.38 0.00 5.02 1.51 -1.26 -4.80 117.35 118.05 1s1j s TYR 91 Ca 0.25 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 1s1j s TYR 91 Cb 0.04 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 1s1j s TYR 91 CO 0.13 -0.92 0.00 0.41 -1.11 0.00 0.00 175.55 174.06 1s1j n GLY 92 N -2.32 0.09 3.41 0.71 0.00 -1.26 -4.64 105.19 101.18 1s1j n GLY 92 Ca 0.07 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1s1j n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s1j s ASP 93 N -4.00 5.19 0.21 1.61 -1.08 -1.26 -5.01 116.67 112.34 1s1j s ASP 93 Ca 0.00 -0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 51.51 1s1j s ASP 93 Cb 0.00 -1.92 0.26 0.00 -1.46 0.00 0.00 42.92 39.79 1s1j s ASP 93 CO 0.00 -0.11 1.81 -0.33 0.52 0.00 0.00 175.17 177.05 1s1j h GLU 94 N 8.26 0.68 -0.38 4.34 3.07 -1.87 -0.88 114.58 127.79 1s1j h GLU 94 Ca -0.35 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 1s1j h GLU 94 Cb 1.15 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 1s1j h GLU 94 CO 0.59 0.45 0.12 -0.07 -1.40 0.00 0.00 179.01 178.70 1s1j h LEU 95 N 0.70 0.56 -1.01 1.33 3.38 -1.97 0.14 115.31 118.44 1s1j h LEU 95 Ca 0.31 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1s1j h LEU 95 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1s1j h LEU 95 CO -0.19 0.62 0.02 1.56 0.09 0.00 0.00 178.44 180.54 1s1j h GLN 96 N 0.47 0.73 -0.62 1.13 4.20 -1.94 -1.53 115.11 117.55 1s1j h GLN 96 Ca 0.12 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1s1j h GLN 96 Cb 0.26 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1s1j h GLN 96 CO -0.00 0.73 0.09 -0.07 -0.67 0.00 0.00 178.83 178.91 1s1j h LEU 97 N 0.69 0.97 -0.32 1.46 3.38 -0.77 -0.19 115.31 120.52 1s1j h LEU 97 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s1j h LEU 97 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1s1j h LEU 97 CO 0.01 0.97 0.19 0.15 0.09 0.00 0.00 178.44 179.86 1s1j h PHE 98 N 0.95 0.42 -0.67 1.13 3.57 -0.28 0.28 116.94 122.34 1s1j h PHE 98 Ca 0.19 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1s1j h PHE 98 Cb 0.42 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1s1j h PHE 98 CO 0.03 0.30 0.33 0.87 -2.23 0.00 0.00 178.31 177.61 1s1j h LYS 99 N 0.41 0.94 -0.45 1.11 1.57 -0.97 -0.76 116.57 118.42 1s1j h LYS 99 Ca 0.11 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1s1j h LYS 99 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1s1j h LYS 99 CO -0.02 0.72 -0.10 1.25 -0.57 0.00 0.00 179.45 180.73 1s1j h LEU 100 N 0.94 0.81 -0.18 2.94 5.85 -0.17 -0.57 115.31 124.94 1s1j h LEU 100 Ca 0.23 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s1j h LEU 100 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1s1j h LEU 100 CO -0.03 0.93 0.12 0.24 -0.34 0.00 0.00 178.44 179.36 1s1j h MET 101 N 0.74 0.23 -0.58 1.25 2.86 0.64 0.22 114.93 120.28 1s1j h MET 101 Ca 0.12 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1s1j h MET 101 Cb 0.59 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1s1j h MET 101 CO 0.04 0.15 0.28 -0.07 1.06 0.00 0.00 176.91 178.37 1s1j h LEU 102 N 0.24 0.76 -0.41 1.22 3.38 -0.94 -0.17 115.31 119.38 1s1j h LEU 102 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1s1j h LEU 102 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1s1j h LEU 102 CO -0.01 0.68 0.04 -0.61 0.09 0.00 0.00 178.44 178.62 1s1j h GLN 103 N 0.79 0.70 -0.37 1.13 4.15 -0.89 -2.02 115.11 118.61 1s1j h GLN 103 Ca 0.20 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1s1j h GLN 103 Cb 0.11 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1s1j h GLN 103 CO -0.03 0.76 0.24 0.77 -1.93 0.00 0.00 178.83 178.64 1s1j h SER 104 N 0.54 0.40 -0.45 -0.69 0.02 -0.29 -0.98 113.55 112.11 1s1j h SER 104 Ca 0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1s1j h SER 104 Cb 0.42 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1s1j h SER 104 CO 0.01 0.29 0.29 0.00 -1.14 0.00 0.00 176.83 176.29 1s1j h ALA 105 N 1.15 0.57 -0.03 3.77 0.00 -0.91 -1.77 119.26 122.04 1s1j h ALA 105 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1s1j h ALA 105 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1s1j h ALA 105 CO -0.04 0.03 -0.59 0.37 0.00 0.00 0.00 179.25 179.02 1s1j h GLN 106 N 0.61 0.09 -0.72 0.00 5.75 -1.22 0.75 115.11 120.37 1s1j h GLN 106 Ca 0.17 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1s1j h GLN 106 Cb -0.06 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1s1j h GLN 106 CO -0.03 0.65 0.21 1.25 -2.65 0.00 0.00 178.83 178.26 1s1j h HIS 107 N 0.07 1.17 -0.25 3.99 2.76 -0.86 0.34 115.15 122.36 1s1j h HIS 107 Ca -0.01 -0.12 -0.15 0.00 -2.20 0.00 0.00 60.37 57.89 1s1j h HIS 107 Cb 1.06 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1s1j h HIS 107 CO 0.01 0.93 -0.44 0.82 -1.30 0.00 0.00 177.93 177.95 1s1j h ILE 108 N 1.07 1.30 -0.85 6.26 2.04 -1.08 -2.79 117.51 123.45 1s1j h ILE 108 Ca 0.23 -1.64 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1s1j h ILE 108 Cb 0.32 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1s1j h ILE 108 CO -0.01 0.52 0.54 0.00 0.00 0.00 0.00 178.15 179.21 1s1j h ALA 109 N 0.65 1.14 -0.48 1.87 0.00 -0.42 -1.49 119.26 120.52 1s1j h ALA 109 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s1j h ALA 109 Cb 1.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1s1j h ALA 109 CO 0.10 0.34 -0.08 -0.44 0.00 0.00 0.00 179.25 179.17 1s1j h ASP 110 N 1.02 0.85 -0.31 0.00 3.32 -0.90 0.33 116.42 120.73 1s1j h ASP 110 Ca 0.35 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1s1j h ASP 110 Cb 0.07 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1s1j h ASP 110 CO -0.14 0.96 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.59 1s1j h GLU 111 N 0.78 0.82 -0.01 3.56 4.39 -1.15 -3.28 114.58 119.70 1s1j h GLU 111 Ca 0.13 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1s1j h GLU 111 Cb 0.58 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1s1j h GLU 111 CO 0.04 1.11 -0.48 1.33 -1.16 0.00 0.00 179.01 179.85 1s1j n VAL 112 N -4.12 0.00 -2.75 3.13 0.24 -0.61 -4.97 118.33 109.25 1s1j n VAL 112 Ca -0.04 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 1s1j n VAL 112 Cb 0.55 0.86 0.02 0.00 -1.47 0.00 0.00 33.84 33.80 1s1j n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s1j n GLY 113 N 1.41 0.55 0.00 7.63 0.00 0.81 -4.76 105.19 110.83 1s1j n GLY 113 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1s1j n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1j n GLY 114 N -0.89 4.83 2.96 -0.02 0.00 0.71 -4.56 105.19 108.23 1s1j n GLY 114 Ca -0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 1s1j n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1j s VAL 115 N 1.20 0.12 -0.01 1.61 -7.23 0.11 -4.67 120.40 111.53 1s1j s VAL 115 Ca 0.00 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 1s1j s VAL 115 Cb 0.00 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 1s1j s VAL 115 CO 0.00 -0.38 0.75 -0.69 -0.31 0.00 0.00 175.10 174.47 1s1j s VAL 116 N -1.13 4.89 0.14 1.32 1.01 -1.26 -1.13 120.40 124.23 1s1j s VAL 116 Ca -0.12 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.49 1s1j s VAL 116 Cb -0.08 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1s1j s VAL 116 CO -0.01 0.30 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 1s1j s LEU 117 N 0.39 2.42 0.00 3.92 1.43 0.76 -4.01 118.68 123.59 1s1j s LEU 117 Ca 0.39 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1s1j s LEU 117 Cb -0.19 -0.67 0.10 0.00 0.03 0.00 0.00 46.19 45.47 1s1j s LEU 117 CO 0.21 -0.10 0.62 -0.90 0.23 0.00 0.00 176.35 176.41 1s1j n ASP 118 N 0.40 0.12 0.31 2.29 5.68 0.70 0.46 116.55 126.51 1s1j n ASP 118 Ca -0.14 -1.27 0.21 0.00 -0.50 0.00 0.00 54.79 53.09 1s1j n ASP 118 Cb 0.57 -0.47 1.07 0.00 -1.14 0.00 0.00 41.12 41.15 1s1j n ASP 118 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1s1j h ASP 119 N -0.77 0.00 -0.66 -1.12 2.03 -1.79 -0.70 116.42 113.41 1s1j h ASP 119 Ca -0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 1s1j h ASP 119 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1s1j h ASP 119 CO 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.36 1s1j n GLN 120 N -2.99 3.43 -2.86 4.15 1.13 -1.26 -4.95 117.38 114.03 1s1j n GLN 120 Ca -0.02 -2.81 -0.18 0.00 -1.94 0.00 0.00 57.00 52.05 1s1j n GLN 120 Cb 0.11 -1.79 0.03 0.00 0.11 0.00 0.00 30.24 28.70 1s1j n GLN 120 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s1j n ARG 121 N 1.24 -3.93 -4.38 -1.09 5.12 -0.27 -5.03 116.66 108.32 1s1j n ARG 121 Ca 0.25 0.74 -0.27 0.00 -1.93 0.00 0.00 57.85 56.65 1s1j n ARG 121 Cb 0.80 -5.25 -0.11 0.00 -1.16 0.00 0.00 32.46 26.75 1s1j n ARG 121 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1s1j s ARG 122 N -5.46 1.70 0.53 5.56 0.52 -1.26 -4.83 118.95 115.71 1s1j s ARG 122 Ca 0.24 -1.45 -0.21 0.00 -0.52 0.00 0.00 55.73 53.79 1s1j s ARG 122 Cb -0.11 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 1s1j s ARG 122 CO 0.30 0.41 1.25 -1.64 0.02 0.00 0.00 175.30 175.63 1s1j s MET 123 N -2.75 3.29 0.38 3.54 -1.94 -1.26 -0.21 119.30 120.34 1s1j s MET 123 Ca 0.22 1.95 -0.27 0.00 -1.71 0.00 0.00 55.69 55.88 1s1j s MET 123 Cb -0.08 -2.20 -0.11 0.00 2.01 0.00 0.00 34.83 34.45 1s1j s MET 123 CO 0.12 -0.99 1.40 -0.12 -0.01 0.00 0.00 175.02 175.42 1s1j n MET 124 N -1.03 2.40 -4.24 2.03 1.56 -1.26 -4.77 117.12 111.81 1s1j n MET 124 Ca 0.10 0.84 -0.18 0.00 -0.27 0.00 0.00 57.70 58.20 1s1j n MET 124 Cb 0.47 -2.54 -0.11 0.00 2.15 0.00 0.00 33.22 33.19 1s1j n MET 124 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1s1j s THR 125 N -1.13 1.32 0.32 1.12 -4.23 -1.26 -5.03 115.64 106.75 1s1j s THR 125 Ca 0.55 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1s1j s THR 125 Cb -0.50 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.12 1s1j s THR 125 CO 0.62 -0.40 1.87 -0.65 -0.54 0.00 0.00 174.62 175.52 1s1j h PRO 126 N 3.56 0.86 -0.41 3.99 0.11 -1.99 -0.59 132.00 137.52 1s1j h PRO 126 Ca -0.40 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1s1j h PRO 126 Cb 1.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1s1j h PRO 126 CO 0.50 0.57 0.10 0.37 -0.21 0.00 0.00 178.00 179.33 1s1j h GLN 127 N 0.89 0.67 -0.66 1.05 5.75 -1.99 -1.84 115.11 118.97 1s1j h GLN 127 Ca 0.45 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 1s1j h GLN 127 Cb 0.49 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1s1j h GLN 127 CO -0.21 0.68 0.16 -0.22 -2.65 0.00 0.00 178.83 176.59 1s1j h LYS 128 N 0.53 1.07 -0.73 1.69 1.63 -1.72 -0.94 116.57 118.10 1s1j h LYS 128 Ca 0.13 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1s1j h LYS 128 Cb 0.32 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1s1j h LYS 128 CO 0.00 0.95 0.47 -0.07 -3.45 0.00 0.00 179.45 177.36 1s1j h LEU 129 N 0.99 0.80 -0.61 5.20 3.38 -0.97 -0.78 115.31 123.32 1s1j h LEU 129 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1s1j h LEU 129 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1s1j h LEU 129 CO 0.00 0.57 0.26 0.03 0.09 0.00 0.00 178.44 179.39 1s1j h ARG 130 N 0.95 0.90 -0.87 1.13 3.08 -0.94 -2.26 114.38 116.37 1s1j h ARG 130 Ca 0.28 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1s1j h ARG 130 Cb -0.05 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 1s1j h ARG 130 CO -0.08 0.76 0.55 0.93 -1.07 0.00 0.00 179.97 181.06 1s1j h GLU 131 N 0.85 1.00 -0.16 0.04 5.08 -0.32 0.27 114.58 121.34 1s1j h GLU 131 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1s1j h GLU 131 Cb 0.18 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s1j h GLU 131 CO -0.02 0.66 0.09 1.88 -1.00 0.00 0.00 179.01 180.63 1s1j h TYR 132 N 1.03 0.18 -0.27 4.33 0.99 -0.79 -1.48 116.97 120.96 1s1j h TYR 132 Ca 0.37 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 61.05 1s1j h TYR 132 Cb 0.10 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 1s1j h TYR 132 CO -0.02 0.11 -0.06 1.96 -0.00 0.00 0.00 178.16 180.14 1s1j h GLN 133 N 0.19 0.42 -0.39 4.88 4.20 -0.77 -2.01 115.11 121.63 1s1j h GLN 133 Ca 0.06 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1s1j h GLN 133 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1s1j h GLN 133 CO -0.02 0.50 -0.24 -0.44 -0.67 0.00 0.00 178.83 177.95 1s1j h ASP 134 N 0.40 0.89 -0.81 1.46 3.32 -0.11 -1.22 116.42 120.34 1s1j h ASP 134 Ca 0.08 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1s1j h ASP 134 Cb 0.36 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1s1j h ASP 134 CO 0.02 1.12 0.46 0.40 -1.72 0.00 0.00 179.24 179.52 1s1j h ILE 135 N 0.66 1.24 -0.23 0.35 2.04 -0.95 0.51 117.51 121.12 1s1j h ILE 135 Ca 0.08 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1s1j h ILE 135 Cb 0.81 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1s1j h ILE 135 CO 0.07 0.26 0.06 0.40 0.00 0.00 0.00 178.15 178.94 1s1j h ILE 136 N 1.13 1.20 -0.58 -0.67 2.04 -1.21 -1.77 117.51 117.66 1s1j h ILE 136 Ca 0.29 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1s1j h ILE 136 Cb 0.01 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1s1j h ILE 136 CO -0.05 0.21 0.15 -0.09 0.00 0.00 0.00 178.15 178.38 1s1j h ARG 137 N 0.19 0.88 -0.14 2.37 9.65 -0.88 -1.46 114.38 125.00 1s1j h ARG 137 Ca 0.07 -0.18 -0.15 0.00 -1.10 0.00 0.00 59.98 58.63 1s1j h ARG 137 Cb 0.27 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1s1j h ARG 137 CO -0.00 0.78 -0.54 1.05 2.80 0.00 0.00 179.97 184.06 1s1j h GLU 138 N 0.85 0.41 -0.58 0.20 4.11 -0.75 -1.23 114.58 117.58 1s1j h GLU 138 Ca 0.19 -0.25 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 1s1j h GLU 138 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1s1j h GLU 138 CO -0.00 0.84 -0.03 0.28 0.07 0.00 0.00 179.01 180.17 1s1j h VAL 139 N 0.32 1.27 -0.61 -1.06 2.07 -0.98 0.66 116.25 117.90 1s1j h VAL 139 Ca 0.01 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.26 1s1j h VAL 139 Cb 1.05 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1s1j h VAL 139 CO 0.09 0.42 0.05 0.50 0.02 0.00 0.00 177.57 178.65 1s1j h LYS 140 N 0.95 1.05 -0.53 1.57 3.64 -1.09 -2.04 116.57 120.12 1s1j h LYS 140 Ca 0.16 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1s1j h LYS 140 Cb 0.59 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1s1j h LYS 140 CO 0.04 1.01 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.71 1s1j h ASP 141 N 0.95 0.97 0.30 4.20 3.32 -0.97 -2.47 116.42 122.74 1s1j h ASP 141 Ca 0.18 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1s1j h ASP 141 Cb 0.50 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1s1j h ASP 141 CO 0.02 1.08 -0.07 0.00 -1.72 0.00 0.00 179.24 178.55 1s1j h ALA 142 N 0.92 1.27 -0.45 3.45 0.00 -0.61 -1.99 119.26 121.86 1s1j h ALA 142 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s1j h ALA 142 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s1j h ALA 142 CO 0.04 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1s1j n ASN 143 N -3.57 3.47 0.00 0.00 4.13 -0.79 -4.02 115.26 114.48 1s1j n ASN 143 Ca -0.02 -1.97 0.16 0.00 1.68 0.00 0.00 54.58 54.43 1s1j n ASN 143 Cb 0.19 -0.29 0.94 0.00 -1.54 0.00 0.00 39.78 39.08 1s1j n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54