#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrj n PHE 2 N 0.00 -2.35 0.00 1.12 -1.74 -1.26 -4.83 117.46 108.40 1nrj n PHE 2 Ca 0.00 -1.76 0.00 0.00 -0.56 0.00 0.00 57.45 55.13 1nrj n PHE 2 Cb 0.00 -0.45 0.00 0.00 1.52 0.00 0.00 39.48 40.55 1nrj n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1nrj n ASP 3 N -2.42 0.00 -4.29 5.98 -0.08 0.16 -4.72 116.55 111.18 1nrj n ASP 3 Ca 0.13 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.24 1nrj n ASP 3 Cb 0.50 -0.26 -0.10 0.00 2.34 0.00 0.00 41.12 43.59 1nrj n ASP 3 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1nrj s GLN 4 N -0.61 1.17 -0.06 -0.67 -0.21 -1.20 -2.01 119.66 116.08 1nrj s GLN 4 Ca 0.00 -1.47 0.05 0.00 0.02 0.00 0.00 55.36 53.95 1nrj s GLN 4 Cb 0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 33.01 33.11 1nrj s GLN 4 CO 0.00 0.14 -0.20 -1.17 -2.12 0.00 0.00 175.29 171.94 1nrj s LEU 5 N -3.10 1.96 -0.02 2.90 2.96 -0.58 -0.89 118.68 121.91 1nrj s LEU 5 Ca 0.18 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1nrj s LEU 5 Cb -0.00 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.55 1nrj s LEU 5 CO 0.04 0.17 0.06 0.00 -1.32 0.00 0.00 176.35 175.30 1nrj s ALA 6 N 0.06 -0.15 -0.15 5.97 0.00 -0.44 -1.73 121.76 125.34 1nrj s ALA 6 Ca -0.06 0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1nrj s ALA 6 Cb -0.13 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1nrj s ALA 6 CO 0.04 -0.07 -0.17 0.08 0.00 0.00 0.00 175.76 175.64 1nrj s VAL 7 N -0.29 1.72 0.06 0.00 1.01 -0.16 -1.19 120.40 121.55 1nrj s VAL 7 Ca -0.03 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1nrj s VAL 7 Cb -0.02 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1nrj s VAL 7 CO 0.00 0.48 0.31 0.72 0.00 0.00 0.00 175.10 176.61 1nrj s PHE 8 N 1.25 -0.10 0.57 5.22 -0.71 -0.62 -0.74 117.98 122.86 1nrj s PHE 8 Ca 0.01 -0.09 -0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1nrj s PHE 8 Cb -0.14 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1nrj s PHE 8 CO -0.08 -0.54 0.93 0.95 -1.34 0.00 0.00 175.22 175.14 1nrj s THR 9 N -2.85 4.50 0.64 -4.49 -4.23 -0.75 -0.99 115.64 107.48 1nrj s THR 9 Ca -0.03 0.46 0.34 0.00 -1.18 0.00 0.00 61.69 61.28 1nrj s THR 9 Cb 0.00 -3.77 0.37 0.00 1.34 0.00 0.00 72.50 70.44 1nrj s THR 9 CO -0.05 -0.89 2.12 -0.65 -0.54 0.00 0.00 174.62 174.61 1nrj h PRO 10 N -0.13 0.00 0.00 3.99 0.11 -1.93 -0.70 132.00 133.34 1nrj h PRO 10 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nrj h PRO 10 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1nrj h PRO 10 CO 0.62 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.45 1nrj n GLN 11 N -3.26 0.62 -0.66 1.05 3.00 -1.26 -4.92 117.38 111.95 1nrj n GLN 11 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1nrj n GLN 11 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1nrj n GLN 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nrj n GLY 12 N 1.18 0.65 3.69 1.08 0.00 -0.27 -5.06 105.19 106.46 1nrj n GLY 12 Ca 0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1nrj n GLY 12 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nrj s GLN 13 N -0.63 4.39 -0.22 1.61 -0.21 -1.26 -4.87 119.66 118.48 1nrj s GLN 13 Ca 0.00 1.01 -0.19 0.00 0.02 0.00 0.00 55.36 56.20 1nrj s GLN 13 Cb 0.00 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1nrj s GLN 13 CO 0.00 -0.13 0.54 0.08 -2.12 0.00 0.00 175.29 173.66 1nrj s VAL 14 N 1.45 5.08 -0.02 1.09 1.01 -1.26 -1.82 120.40 125.93 1nrj s VAL 14 Ca 0.40 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1nrj s VAL 14 Cb -0.18 -3.86 -0.27 0.00 0.00 0.00 0.00 36.38 32.08 1nrj s VAL 14 CO 0.17 0.14 0.76 0.25 0.00 0.00 0.00 175.10 176.42 1nrj h LEU 15 N 8.24 0.33 -7.13 3.92 5.85 -1.31 -3.49 115.31 121.73 1nrj h LEU 15 Ca -0.32 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 57.81 1nrj h LEU 15 Cb 1.15 -0.11 -0.22 0.00 0.37 0.00 0.00 40.66 41.85 1nrj h LEU 15 CO 0.74 1.44 -0.03 -0.47 -0.34 0.00 0.00 178.44 179.79 1nrj s TYR 16 N -2.61 -0.65 0.01 1.25 5.04 -1.10 -5.00 117.35 114.30 1nrj s TYR 16 Ca -0.10 1.58 -0.01 0.00 -2.44 0.00 0.00 57.07 56.09 1nrj s TYR 16 Cb 0.07 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.59 1nrj s TYR 16 CO 0.84 -0.31 0.01 1.14 -1.34 0.00 0.00 175.55 175.89 1nrj s GLN 17 N 0.31 0.27 -0.11 4.97 -2.07 -1.26 -0.99 119.66 120.78 1nrj s GLN 17 Ca -0.00 -0.41 -0.05 0.00 -1.82 0.00 0.00 55.36 53.07 1nrj s GLN 17 Cb -0.04 0.10 0.05 0.00 -1.09 0.00 0.00 33.01 32.03 1nrj s GLN 17 CO 0.01 -0.05 0.25 -0.47 -1.32 0.00 0.00 175.29 173.71 1nrj s TYR 18 N -1.08 -0.36 -0.20 9.60 5.04 -0.70 -5.01 117.35 124.63 1nrj s TYR 18 Ca -0.12 0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 1nrj s TYR 18 Cb -0.07 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.25 1nrj s TYR 18 CO -0.00 -0.26 -0.02 1.21 -1.34 0.00 0.00 175.55 175.13 1nrj s ASN 19 N 1.53 4.61 0.43 4.32 3.84 -1.26 -1.53 114.94 126.88 1nrj s ASN 19 Ca -0.07 -0.27 0.12 0.00 0.21 0.00 0.00 52.86 52.85 1nrj s ASN 19 Cb -0.11 -1.78 0.95 0.00 -0.55 0.00 0.00 41.25 39.76 1nrj s ASN 19 CO -0.09 0.04 2.00 0.00 -2.79 0.00 0.00 177.10 176.27 1nrj n LEU 21 N -4.36 4.24 0.00 0.00 4.32 -1.26 -4.89 117.00 115.04 1nrj n LEU 21 Ca -0.01 -2.15 0.00 0.00 -0.02 0.00 0.00 56.01 53.82 1nrj n LEU 21 Cb 0.20 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1nrj n LEU 21 CO 0.36 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 1nrj n GLY 22 N 0.39 0.18 3.76 -0.72 0.00 -0.96 -4.97 105.19 102.87 1nrj n GLY 22 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1nrj n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrj s LYS 23 N -1.06 2.66 0.18 1.61 3.01 -1.26 -4.94 119.74 119.93 1nrj s LYS 23 Ca 0.00 1.45 -0.33 0.00 -1.01 0.00 0.00 55.97 56.08 1nrj s LYS 23 Cb 0.00 -1.93 -0.15 0.00 -1.01 0.00 0.00 37.83 34.74 1nrj s LYS 23 CO 0.00 -1.37 1.32 1.17 0.51 0.00 0.00 175.35 176.97 1nrj n LYS 24 N -2.51 1.54 -2.05 1.68 0.00 -1.26 -4.69 118.16 110.86 1nrj n LYS 24 Ca 0.11 0.55 -0.41 0.00 0.00 0.00 0.00 58.31 58.56 1nrj n LYS 24 Cb 0.52 -2.15 -0.02 0.00 0.00 0.00 0.00 35.03 33.37 1nrj n LYS 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1nrj s PHE 25 N 0.10 3.02 -0.53 5.64 5.36 -1.26 -4.97 117.98 125.34 1nrj s PHE 25 Ca 0.74 1.20 -0.16 0.00 -0.96 0.00 0.00 56.93 57.75 1nrj s PHE 25 Cb -0.79 -3.76 0.12 0.00 -0.34 0.00 0.00 43.02 38.25 1nrj s PHE 25 CO 0.49 -2.32 0.48 0.45 -1.46 0.00 0.00 175.22 172.86 1nrj s SER 26 N 0.01 6.16 0.34 6.13 0.15 -1.26 -4.89 113.70 120.33 1nrj s SER 26 Ca 0.55 -1.75 0.09 0.00 0.70 0.00 0.00 55.95 55.53 1nrj s SER 26 Cb -0.41 -2.20 0.61 0.00 -1.71 0.00 0.00 66.02 62.31 1nrj s SER 26 CO 0.48 -0.83 1.79 -0.33 1.20 0.00 0.00 173.24 175.55 1nrj h GLU 27 N 8.85 0.19 -0.97 5.44 4.39 -2.00 -3.13 114.58 127.35 1nrj h GLU 27 Ca -0.29 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.43 1nrj h GLU 27 Cb 1.10 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.66 1nrj h GLU 27 CO 1.02 0.49 0.61 0.82 -1.16 0.00 0.00 179.01 180.79 1nrj h ILE 28 N 0.17 0.98 -0.27 3.13 2.04 -1.99 0.36 117.51 121.94 1nrj h ILE 28 Ca 0.02 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1nrj h ILE 28 Cb 0.65 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1nrj h ILE 28 CO 0.05 0.19 0.04 -0.61 0.00 0.00 0.00 178.15 177.82 1nrj h GLN 29 N 1.03 0.44 -0.63 2.37 4.15 -1.97 -1.74 115.11 118.76 1nrj h GLN 29 Ca 0.46 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.69 1nrj h GLN 29 Cb 0.35 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1nrj h GLN 29 CO -0.23 0.56 0.12 0.82 -1.93 0.00 0.00 178.83 178.17 1nrj h ILE 30 N 0.25 1.25 -0.41 2.39 1.08 -1.50 -2.69 117.51 117.89 1nrj h ILE 30 Ca 0.08 -0.97 -0.07 0.00 -0.39 0.00 0.00 64.86 63.52 1nrj h ILE 30 Cb 0.33 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1nrj h ILE 30 CO 0.01 0.36 -0.02 0.78 -0.69 0.00 0.00 178.15 178.58 1nrj h ASN 31 N 0.95 0.65 -0.57 1.72 2.35 -0.78 -1.36 115.58 118.54 1nrj h ASN 31 Ca 0.20 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1nrj h ASN 31 Cb 0.39 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1nrj h ASN 31 CO 0.01 0.73 0.18 0.28 -1.65 0.00 0.00 177.43 176.98 1nrj h SER 32 N 0.64 0.87 0.15 5.81 0.02 -1.04 -1.62 113.55 118.37 1nrj h SER 32 Ca 0.13 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1nrj h SER 32 Cb 0.43 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1nrj h SER 32 CO 0.02 0.82 -0.07 0.15 -1.14 0.00 0.00 176.83 176.61 1nrj h PHE 33 N 0.90 -0.18 -0.29 3.45 3.57 -1.10 -2.41 116.94 120.89 1nrj h PHE 33 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1nrj h PHE 33 Cb 0.27 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1nrj h PHE 33 CO 0.02 -0.03 0.15 0.82 -2.23 0.00 0.00 178.31 177.04 1nrj h ILE 34 N -0.29 1.14 -0.52 1.41 2.04 -1.20 -0.75 117.51 119.33 1nrj h ILE 34 Ca -0.02 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1nrj h ILE 34 Cb 0.23 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1nrj h ILE 34 CO 0.03 0.14 0.11 0.28 0.00 0.00 0.00 178.15 178.70 1nrj h SER 35 N 0.35 0.75 -0.76 1.72 0.02 -1.31 -0.89 113.55 113.43 1nrj h SER 35 Ca 0.10 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1nrj h SER 35 Cb 0.08 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1nrj h SER 35 CO -0.02 0.75 0.45 -0.61 -1.14 0.00 0.00 176.83 176.27 1nrj h GLN 36 N 0.77 1.03 -0.61 3.45 4.15 -1.13 -2.37 115.11 120.40 1nrj h GLN 36 Ca 0.17 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1nrj h GLN 36 Cb 0.31 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1nrj h GLN 36 CO 0.00 0.73 0.16 1.25 -1.93 0.00 0.00 178.83 179.04 1nrj h LEU 37 N 1.04 0.88 -0.43 -2.39 5.85 -0.26 0.08 115.31 120.09 1nrj h LEU 37 Ca 0.27 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1nrj h LEU 37 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1nrj h LEU 37 CO -0.05 0.85 0.06 0.40 -0.34 0.00 0.00 178.44 179.36 1nrj h ILE 38 N 0.90 1.25 -0.11 4.05 2.04 -1.00 -3.07 117.51 121.57 1nrj h ILE 38 Ca 0.20 -0.90 -0.12 0.00 1.00 0.00 0.00 64.86 65.04 1nrj h ILE 38 Cb 0.31 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1nrj h ILE 38 CO -0.00 0.31 -0.48 0.74 0.00 0.00 0.00 178.15 178.72 1nrj h THR 39 N 0.57 1.34 -2.66 -0.27 2.02 -1.25 -3.40 112.91 109.26 1nrj h THR 39 Ca 0.13 -1.68 -0.60 0.00 0.77 0.00 0.00 66.41 65.03 1nrj h THR 39 Cb 0.39 1.78 -0.39 0.00 -1.74 0.00 0.00 68.15 68.19 1nrj h THR 39 CO 0.01 0.50 -0.84 -0.44 0.37 0.00 0.00 175.52 175.12 1nrj s SER 40 N -6.88 2.78 0.76 4.18 0.01 0.00 -5.10 113.70 109.45 1nrj s SER 40 Ca -0.05 -2.80 -0.14 0.00 1.31 0.00 0.00 55.95 54.28 1nrj s SER 40 Cb 0.13 -0.70 0.06 0.00 0.21 0.00 0.00 66.02 65.71 1nrj s SER 40 CO 0.78 -0.22 1.17 -2.84 0.41 0.00 0.00 173.24 172.55 1nrj s PRO 41 N 0.25 2.01 0.62 12.44 0.02 -1.20 -4.58 135.00 144.56 1nrj s PRO 41 Ca 0.24 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 62.74 1nrj s PRO 41 Cb -0.12 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1nrj s PRO 41 CO -0.09 -1.90 1.05 0.14 -0.33 0.00 0.00 177.00 175.88 1nrj s VAL 42 N -2.23 3.91 0.28 3.83 -7.23 -1.26 -5.07 120.40 112.63 1nrj s VAL 42 Ca 0.71 0.83 0.03 0.00 -1.81 0.00 0.00 61.98 61.73 1nrj s VAL 42 Cb -0.26 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 1nrj s VAL 42 CO 0.48 -0.61 0.10 0.35 -0.31 0.00 0.00 175.10 175.12 1nrj n THR 43 N -2.29 0.00 -0.32 5.32 -2.24 -1.26 -5.04 114.28 108.45 1nrj n THR 43 Ca 0.08 -1.65 0.11 0.00 -2.27 0.00 0.00 64.05 60.33 1nrj n THR 43 Cb 0.53 0.59 0.33 0.00 -2.10 0.00 0.00 70.33 69.68 1nrj n THR 43 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1nrj h ARG 44 N 0.00 0.76 -0.73 -0.78 1.12 -1.99 -2.90 114.38 109.85 1nrj h ARG 44 Ca -0.22 -0.05 0.11 0.00 -1.11 0.00 0.00 59.98 58.72 1nrj h ARG 44 Cb 0.84 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 30.58 1nrj h ARG 44 CO 0.35 0.50 0.48 0.87 -3.11 0.00 0.00 179.97 179.07 1nrj h LYS 45 N 0.79 0.54 -0.00 0.20 1.79 -2.01 -2.24 116.57 115.63 1nrj h LYS 45 Ca 0.50 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1nrj h LYS 45 Cb 0.73 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1nrj h LYS 45 CO -0.27 0.36 -0.11 0.39 -1.08 0.00 0.00 179.45 178.75 1nrj n GLU 46 N -4.49 0.13 -2.03 3.15 4.71 -1.10 -4.95 120.64 116.07 1nrj n GLU 46 Ca 0.13 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.16 56.84 1nrj n GLU 46 Cb 0.39 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 1nrj n GLU 46 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1nrj s SER 47 N -2.88 6.66 -0.23 1.62 0.15 -0.85 -1.15 113.70 117.02 1nrj s SER 47 Ca 0.17 2.72 -0.04 0.00 0.70 0.00 0.00 55.95 59.50 1nrj s SER 47 Cb 0.19 -2.64 0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1nrj s SER 47 CO 0.55 -0.66 0.09 -0.69 1.20 0.00 0.00 173.24 173.72 1nrj s VAL 48 N -0.55 0.20 -0.14 4.45 1.01 -0.38 -4.90 120.40 120.09 1nrj s VAL 48 Ca 0.55 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1nrj s VAL 48 Cb -0.42 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.07 1nrj s VAL 48 CO 0.49 -0.43 0.07 0.00 0.00 0.00 0.00 175.10 175.23 1nrj s ALA 49 N 1.99 0.47 0.02 5.51 0.00 -1.26 -1.64 121.76 126.84 1nrj s ALA 49 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1nrj s ALA 49 Cb -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1nrj s ALA 49 CO -0.18 -1.00 0.03 0.27 0.00 0.00 0.00 175.76 174.87 1nrj n ASN 50 N 5.25 -0.08 -0.34 0.00 0.23 -1.26 -5.04 115.26 114.01 1nrj n ASN 50 Ca -0.06 -1.11 -0.03 0.00 -0.53 0.00 0.00 54.58 52.85 1nrj n ASN 50 Cb 0.49 0.15 0.09 0.00 -2.08 0.00 0.00 39.78 38.43 1nrj n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nrj h ALA 51 N 1.51 1.18 0.00 -2.53 0.00 -2.00 -2.90 119.26 114.52 1nrj h ALA 51 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nrj h ALA 51 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1nrj h ALA 51 CO 0.02 0.63 0.00 -0.91 0.00 0.00 0.00 179.25 178.99 1nrj h ASN 52 N 1.27 0.00 -0.20 0.00 2.35 -1.97 -2.48 115.58 114.55 1nrj h ASN 52 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1nrj h ASN 52 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1nrj h ASN 52 CO -0.06 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.07 1nrj n THR 53 N -2.41 0.26 -2.38 2.81 -2.24 -1.10 -3.30 114.28 105.92 1nrj n THR 53 Ca 0.01 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 1nrj n THR 53 Cb 0.18 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 1nrj n THR 53 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nrj n ASP 54 N 0.59 -5.78 0.00 3.42 8.00 -0.93 -2.25 116.55 119.60 1nrj n ASP 54 Ca 0.17 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1nrj n ASP 54 Cb 0.40 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 1nrj n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nrj n GLY 55 N -0.99 1.15 3.79 0.44 0.00 -1.25 -5.01 105.19 103.31 1nrj n GLY 55 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1nrj n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nrj s PHE 56 N -3.72 2.94 -0.25 1.61 0.08 -0.95 -5.02 117.98 112.66 1nrj s PHE 56 Ca 0.00 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.46 1nrj s PHE 56 Cb 0.00 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.25 1nrj s PHE 56 CO 0.00 -1.07 0.46 -0.51 -0.10 0.00 0.00 175.22 174.01 1nrj s ASP 57 N -1.79 6.39 0.42 1.36 1.01 -1.26 -4.63 116.67 118.17 1nrj s ASP 57 Ca 0.67 0.46 0.07 0.00 0.71 0.00 0.00 52.55 54.47 1nrj s ASP 57 Cb -0.21 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1nrj s ASP 57 CO 0.25 -0.23 0.29 -0.36 0.21 0.00 0.00 175.17 175.32 1nrj s PHE 58 N 2.12 2.66 0.05 4.23 0.08 -0.65 -4.68 117.98 121.79 1nrj s PHE 58 Ca 0.19 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.74 1nrj s PHE 58 Cb -0.16 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1nrj s PHE 58 CO 0.09 0.02 -0.10 -0.80 -0.10 0.00 0.00 175.22 174.33 1nrj s ASN 59 N -4.03 1.18 -0.07 1.36 -0.87 -0.68 -1.25 114.94 110.60 1nrj s ASN 59 Ca 0.45 -0.53 -0.00 0.00 -1.57 0.00 0.00 52.86 51.21 1nrj s ASN 59 Cb 0.00 -0.01 0.03 0.00 -0.02 0.00 0.00 41.25 41.24 1nrj s ASN 59 CO 0.25 -0.12 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.42 1nrj s LEU 60 N -1.47 0.94 0.09 0.60 2.96 -0.30 -1.61 118.68 119.89 1nrj s LEU 60 Ca -0.05 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1nrj s LEU 60 Cb -0.09 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 1nrj s LEU 60 CO 0.01 -0.13 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.89 1nrj s LEU 61 N 1.54 2.25 -0.20 -0.68 1.02 -0.52 -4.72 118.68 117.37 1nrj s LEU 61 Ca -0.01 -0.67 -0.05 0.00 0.02 0.00 0.00 54.13 53.43 1nrj s LEU 61 Cb -0.13 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 1nrj s LEU 61 CO -0.04 0.19 -0.01 -0.89 0.02 0.00 0.00 176.35 175.62 1nrj s THR 62 N -0.96 3.84 -0.34 5.49 2.01 -1.26 -1.14 115.64 123.28 1nrj s THR 62 Ca 0.12 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1nrj s THR 62 Cb -0.10 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.71 1nrj s THR 62 CO 0.04 0.43 0.13 -0.63 -0.69 0.00 0.00 174.62 173.90 1nrj s ILE 63 N 1.00 4.08 -1.09 1.82 -1.09 -1.26 -5.01 121.20 119.64 1nrj s ILE 63 Ca 0.01 -0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 57.35 1nrj s ILE 63 Cb -0.14 -3.25 0.17 0.00 -1.58 0.00 0.00 42.46 37.66 1nrj s ILE 63 CO 0.01 -0.13 1.28 0.20 -1.23 0.00 0.00 174.94 175.07 1nrj s ASN 64 N 1.47 6.94 0.00 3.58 0.02 -1.26 -4.81 114.94 120.89 1nrj s ASN 64 Ca 0.01 -2.74 0.00 0.00 -1.02 0.00 0.00 52.86 49.10 1nrj s ASN 64 Cb -0.19 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1nrj s ASN 64 CO 0.04 -0.79 0.00 2.22 0.02 0.00 0.00 177.10 178.59 1nrj n PHE 73 N 5.57 0.00 -4.22 2.20 -1.74 -1.26 -5.20 117.46 112.81 1nrj n PHE 73 Ca 0.30 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.90 1nrj n PHE 73 Cb 0.45 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 1nrj n PHE 73 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1nrj s ASN 74 N -2.99 4.45 -0.17 5.98 0.01 0.20 -4.53 114.94 117.88 1nrj s ASN 74 Ca 0.00 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 1nrj s ASN 74 Cb 0.00 -0.86 0.05 0.00 0.41 0.00 0.00 41.25 40.85 1nrj s ASN 74 CO 0.00 0.17 0.02 0.00 -1.51 0.00 0.00 177.10 175.78 1nrj s ALA 75 N -1.25 1.05 -0.23 0.60 0.00 -0.29 -1.76 121.76 119.88 1nrj s ALA 75 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 1nrj s ALA 75 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1nrj s ALA 75 CO 0.14 -1.02 0.26 -1.17 0.00 0.00 0.00 175.76 173.98 1nrj s LEU 76 N 1.83 4.11 0.07 0.00 2.96 -0.33 -1.44 118.68 125.88 1nrj s LEU 76 Ca -0.00 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1nrj s LEU 76 Cb -0.16 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1nrj s LEU 76 CO -0.07 -0.02 -0.08 0.72 -1.32 0.00 0.00 176.35 175.58 1nrj s PHE 77 N 1.31 0.81 -0.05 5.38 -0.71 -0.63 -1.00 117.98 123.10 1nrj s PHE 77 Ca 0.12 -0.70 0.05 0.00 -1.04 0.00 0.00 56.93 55.36 1nrj s PHE 77 Cb -0.14 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1nrj s PHE 77 CO 0.07 -0.11 -0.19 -0.47 -1.34 0.00 0.00 175.22 173.18 1nrj s TYR 78 N -2.48 2.56 -0.42 3.49 5.04 -0.28 -1.68 117.35 123.58 1nrj s TYR 78 Ca 0.01 -0.34 -0.07 0.00 -2.44 0.00 0.00 57.07 54.24 1nrj s TYR 78 Cb -0.02 -1.60 0.09 0.00 0.35 0.00 0.00 41.96 40.78 1nrj s TYR 78 CO -0.02 0.04 0.24 -1.17 -1.34 0.00 0.00 175.55 173.30 1nrj s LEU 79 N -0.56 5.18 0.45 6.97 2.96 -1.26 -1.76 118.68 130.65 1nrj s LEU 79 Ca 0.08 -1.73 -0.24 0.00 -0.22 0.00 0.00 54.13 52.02 1nrj s LEU 79 Cb -0.11 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 1nrj s LEU 79 CO 0.01 -0.55 1.26 0.21 -1.32 0.00 0.00 176.35 175.96 1nrj s ASN 80 N 2.07 6.09 -0.18 3.68 3.84 0.20 -4.93 114.94 125.70 1nrj s ASN 80 Ca 0.04 2.53 0.02 0.00 0.21 0.00 0.00 52.86 55.67 1nrj s ASN 80 Cb -0.23 -2.62 -0.22 0.00 -0.55 0.00 0.00 41.25 37.62 1nrj s ASN 80 CO -0.01 -0.99 0.10 0.29 -2.79 0.00 0.00 177.10 173.71 1nrj n LYS 81 N -0.29 0.69 -3.63 0.43 5.02 -1.26 -2.72 118.16 116.40 1nrj n LYS 81 Ca 0.06 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.24 1nrj n LYS 81 Cb 0.46 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1nrj n LYS 81 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1nrj s GLN 82 N -2.54 0.51 0.84 1.97 -1.52 -1.26 -3.49 119.66 114.17 1nrj s GLN 82 Ca -0.24 -0.91 -0.11 0.00 -1.95 0.00 0.00 55.36 52.16 1nrj s GLN 82 Cb 0.08 -1.61 0.14 0.00 -0.22 0.00 0.00 33.01 31.39 1nrj s GLN 82 CO 0.71 -1.02 1.18 -1.25 -0.25 0.00 0.00 175.29 174.65 1nrj s PRO 83 N 1.72 1.38 -0.26 2.91 0.04 -1.26 -4.80 135.00 134.73 1nrj s PRO 83 Ca 0.10 -0.41 -0.29 0.00 0.04 0.00 0.00 61.00 60.45 1nrj s PRO 83 Cb -0.17 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1nrj s PRO 83 CO -0.27 -1.85 1.60 -1.21 0.04 0.00 0.00 177.00 175.30 1nrj s GLU 84 N -5.57 3.72 -0.12 4.56 2.02 -1.23 -4.69 118.70 117.40 1nrj s GLU 84 Ca 0.68 1.53 -0.09 0.00 0.02 0.00 0.00 54.97 57.11 1nrj s GLU 84 Cb -0.07 -4.04 0.04 0.00 0.10 0.00 0.00 34.13 30.15 1nrj s GLU 84 CO 0.49 -1.38 0.30 -0.51 0.02 0.00 0.00 175.26 174.18 1nrj s LEU 85 N 5.38 0.67 -0.15 1.80 1.43 -1.10 -4.36 118.68 122.34 1nrj s LEU 85 Ca 0.70 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 1nrj s LEU 85 Cb -0.23 1.00 -0.05 0.00 0.03 0.00 0.00 46.19 46.95 1nrj s LEU 85 CO 0.30 -0.13 0.26 -0.31 0.23 0.00 0.00 176.35 176.70 1nrj s TYR 86 N 0.50 3.49 -0.19 0.29 1.51 -0.16 -0.63 117.35 122.16 1nrj s TYR 86 Ca -0.03 0.57 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 1nrj s TYR 86 Cb -0.04 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1nrj s TYR 86 CO -0.03 0.33 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.53 1nrj s PHE 87 N 0.16 2.67 -0.04 2.71 0.40 -0.72 -1.59 117.98 121.57 1nrj s PHE 87 Ca 0.15 -1.67 0.03 0.00 -0.60 0.00 0.00 56.93 54.84 1nrj s PHE 87 Cb -0.13 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.60 1nrj s PHE 87 CO 0.04 -0.78 -0.13 0.54 0.70 0.00 0.00 175.22 175.59 1nrj s VAL 88 N 1.32 1.09 -0.17 -0.44 0.11 -0.34 -1.12 120.40 120.85 1nrj s VAL 88 Ca 0.01 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1nrj s VAL 88 Cb -0.15 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1nrj s VAL 88 CO -0.10 0.33 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.19 1nrj s VAL 89 N 0.24 2.94 0.09 2.04 1.01 -0.17 -1.32 120.40 125.23 1nrj s VAL 89 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1nrj s VAL 89 Cb -0.11 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1nrj s VAL 89 CO 0.02 0.50 0.15 0.42 0.00 0.00 0.00 175.10 176.18 1nrj s THR 90 N 0.88 4.87 0.37 3.92 -4.23 -0.07 -1.19 115.64 120.20 1nrj s THR 90 Ca -0.03 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.63 1nrj s THR 90 Cb -0.15 -3.40 0.06 0.00 1.34 0.00 0.00 72.50 70.35 1nrj s THR 90 CO -0.00 0.07 0.81 0.72 -0.54 0.00 0.00 174.62 175.68 1nrj s PHE 91 N -1.52 0.13 0.00 3.99 -0.71 -0.72 0.38 117.98 119.53 1nrj s PHE 91 Ca 0.32 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 1nrj s PHE 91 Cb -0.12 0.84 0.00 0.00 -1.21 0.00 0.00 43.02 42.53 1nrj s PHE 91 CO 0.25 -1.53 0.00 0.00 -1.34 0.00 0.00 175.22 172.59 1nrj n ALA 92 N -0.55 0.00 -1.77 1.99 0.00 -1.26 -0.63 120.51 118.29 1nrj n ALA 92 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1nrj n ALA 92 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1nrj n ALA 92 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nrj s GLU 93 N 1.14 4.04 0.30 0.00 8.01 -1.26 -4.21 118.70 126.72 1nrj s GLU 93 Ca 0.00 2.16 -0.29 0.00 0.01 0.00 0.00 54.97 56.85 1nrj s GLU 93 Cb 0.00 -2.81 -0.10 0.00 -4.31 0.00 0.00 34.13 26.91 1nrj s GLU 93 CO 0.00 -0.44 1.36 -0.65 0.01 0.00 0.00 175.26 175.54 1nrj s GLN 94 N -2.17 4.32 0.28 1.61 -0.21 -1.26 -4.99 119.66 117.24 1nrj s GLN 94 Ca 0.55 2.25 0.02 0.00 0.02 0.00 0.00 55.36 58.21 1nrj s GLN 94 Cb -0.38 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1nrj s GLN 94 CO 0.49 -0.28 0.15 0.95 -2.12 0.00 0.00 175.29 174.48 1nrj s THR 95 N -0.70 0.29 0.15 -0.19 -4.23 -1.26 -5.03 115.64 104.68 1nrj s THR 95 Ca 0.53 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1nrj s THR 95 Cb -0.41 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 70.92 1nrj s THR 95 CO 0.50 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 176.29 1nrj h LEU 96 N 2.30 0.29 -0.54 4.79 3.38 -1.99 -2.21 115.31 121.33 1nrj h LEU 96 Ca -0.34 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1nrj h LEU 96 Cb 1.25 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1nrj h LEU 96 CO 0.53 0.21 0.10 -0.33 0.09 0.00 0.00 178.44 179.04 1nrj h GLU 97 N 0.39 0.88 0.06 1.13 3.07 -1.99 -2.28 114.58 115.84 1nrj h GLU 97 Ca 0.15 -0.23 -0.27 0.00 -0.50 0.00 0.00 59.36 58.51 1nrj h GLU 97 Cb 0.05 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1nrj h GLU 97 CO -0.10 0.85 -1.12 1.25 -1.40 0.00 0.00 179.01 178.49 1nrj h LEU 98 N 0.77 0.76 -1.86 1.33 5.85 -1.93 -2.00 115.31 118.22 1nrj h LEU 98 Ca 0.16 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1nrj h LEU 98 Cb 0.39 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1nrj h LEU 98 CO 0.01 1.47 -0.03 0.78 -0.34 0.00 0.00 178.44 180.33 1nrj h ASN 99 N 0.28 0.04 0.02 1.25 2.35 -1.39 -1.28 115.58 116.84 1nrj h ASN 99 Ca -0.14 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1nrj h ASN 99 Cb 1.78 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1nrj h ASN 99 CO 0.21 0.08 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.45 1nrj h GLN 100 N 0.05 -0.03 -0.38 0.81 4.15 -1.22 -2.68 115.11 115.81 1nrj h GLN 100 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.50 1nrj h GLN 100 Cb 0.08 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1nrj h GLN 100 CO 0.00 0.54 0.02 1.49 -1.93 0.00 0.00 178.83 178.95 1nrj h GLU 101 N -0.63 0.12 -0.45 1.69 4.81 -1.24 -0.98 114.58 117.89 1nrj h GLU 101 Ca -0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1nrj h GLU 101 Cb 0.59 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1nrj h GLU 101 CO 0.01 0.08 -0.21 1.79 -0.73 0.00 0.00 179.01 179.94 1nrj h THR 102 N 0.12 1.27 -0.43 0.32 1.35 -1.34 0.11 112.91 114.31 1nrj h THR 102 Ca 0.18 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 1nrj h THR 102 Cb 0.25 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1nrj h THR 102 CO -0.29 0.47 0.03 1.56 -0.25 0.00 0.00 175.52 177.04 1nrj h GLN 103 N 0.78 0.75 -0.06 4.72 4.20 -1.26 -1.27 115.11 122.95 1nrj h GLN 103 Ca 0.10 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1nrj h GLN 103 Cb 0.78 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1nrj h GLN 103 CO 0.06 0.80 -0.46 1.96 -0.67 0.00 0.00 178.83 180.52 1nrj h GLN 104 N 0.59 0.15 -0.41 1.46 4.20 -1.07 -2.65 115.11 117.39 1nrj h GLN 104 Ca 0.13 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1nrj h GLN 104 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1nrj h GLN 104 CO 0.02 0.59 0.11 1.15 -0.67 0.00 0.00 178.83 180.03 1nrj h THR 105 N 0.12 1.22 -0.39 -0.54 2.02 -0.70 -2.36 112.91 112.28 1nrj h THR 105 Ca 0.01 -0.75 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 1nrj h THR 105 Cb 0.87 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1nrj h THR 105 CO 0.07 0.26 -0.22 0.25 0.37 0.00 0.00 175.52 176.25 1nrj h LEU 106 N 0.51 0.78 -0.94 2.58 5.85 -1.18 -2.07 115.31 120.84 1nrj h LEU 106 Ca 0.13 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1nrj h LEU 106 Cb 0.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1nrj h LEU 106 CO -0.00 0.98 -0.46 0.00 -0.34 0.00 0.00 178.44 178.61 1nrj h ALA 107 N 1.08 1.11 -0.07 1.25 0.00 -1.42 -2.34 119.26 118.87 1nrj h ALA 107 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1nrj h ALA 107 Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nrj h ALA 107 CO 0.06 0.61 -0.05 1.25 0.00 0.00 0.00 179.25 181.12 1nrj h LEU 108 N 0.12 0.16 -0.82 0.00 7.12 -1.27 -1.95 115.31 118.68 1nrj h LEU 108 Ca 0.01 -0.44 0.11 0.00 0.13 0.00 0.00 57.88 57.68 1nrj h LEU 108 Cb 0.87 -0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.87 1nrj h LEU 108 CO 0.07 0.57 0.45 0.58 -0.13 0.00 0.00 178.44 179.98 1nrj h VAL 109 N -0.24 0.84 -0.35 1.05 2.07 -1.17 -0.21 116.25 118.24 1nrj h VAL 109 Ca 0.01 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1nrj h VAL 109 Cb 0.52 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nrj h VAL 109 CO 0.01 0.13 -0.38 -0.07 0.02 0.00 0.00 177.57 177.29 1nrj h LEU 110 N 0.72 0.95 -0.51 2.57 3.38 -1.33 0.55 115.31 121.64 1nrj h LEU 110 Ca 0.41 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1nrj h LEU 110 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1nrj h LEU 110 CO -0.29 1.23 0.07 0.11 0.09 0.00 0.00 178.44 179.65 1nrj h LYS 111 N 0.68 0.85 -0.52 1.13 1.79 -0.88 -0.05 116.57 119.57 1nrj h LYS 111 Ca 0.05 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1nrj h LYS 111 Cb 0.97 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1nrj h LYS 111 CO 0.09 0.85 0.11 1.25 -1.08 0.00 0.00 179.45 180.67 1nrj h LEU 112 N 0.72 0.80 -0.56 2.94 5.85 -0.96 -1.69 115.31 122.42 1nrj h LEU 112 Ca 0.15 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1nrj h LEU 112 Cb 0.42 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1nrj h LEU 112 CO 0.01 0.84 0.24 -0.25 -0.34 0.00 0.00 178.44 178.94 1nrj h TRP 113 N 0.73 0.43 0.00 1.25 2.91 -0.57 -2.83 115.95 117.87 1nrj h TRP 113 Ca 0.16 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1nrj h TRP 113 Cb 0.36 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1nrj h TRP 113 CO 0.02 0.16 -0.12 -0.91 -1.03 0.00 0.00 178.44 176.57 1nrj h ASN 114 N 0.45 0.00 1.16 2.65 -0.26 -0.90 -2.29 115.58 116.40 1nrj h ASN 114 Ca 0.27 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.96 1nrj h ASN 114 Cb 0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1nrj h ASN 114 CO -0.24 0.12 -0.24 0.77 -1.06 0.00 0.00 177.43 176.78 1nrj h SER 115 N 0.00 0.00 -0.66 5.81 4.64 -1.08 -3.13 113.55 119.14 1nrj h SER 115 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nrj h SER 115 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1nrj h SER 115 CO 0.02 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.40 1nrj n LEU 116 N -3.31 3.75 -4.04 5.97 4.32 -0.88 -4.96 117.00 117.86 1nrj n LEU 116 Ca 0.01 -2.00 -0.33 0.00 -0.02 0.00 0.00 56.01 53.67 1nrj n LEU 116 Cb 0.49 -0.44 0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1nrj n LEU 116 CO 0.34 0.94 0.06 1.41 -1.22 0.00 0.00 177.39 178.92 1nrj n HIS 117 N 1.42 -2.09 -0.02 -1.77 8.25 -1.12 -4.87 115.22 115.02 1nrj n HIS 117 Ca 0.22 0.86 -0.16 0.00 -0.26 0.00 0.00 57.72 58.39 1nrj n HIS 117 Cb 0.58 -3.56 -0.05 0.00 1.12 0.00 0.00 29.99 28.08 1nrj n HIS 117 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nrj h LEU 118 N -1.85 0.89 -0.43 2.41 3.38 -1.84 -2.37 115.31 115.50 1nrj h LEU 118 Ca -0.58 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 56.77 1nrj h LEU 118 Cb 1.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1nrj h LEU 118 CO 0.72 1.36 0.05 0.28 0.09 0.00 0.00 178.44 180.93 1nrj h SER 119 N 0.53 0.70 -0.50 -0.43 0.02 -1.89 -2.54 113.55 109.43 1nrj h SER 119 Ca -0.04 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1nrj h SER 119 Cb 1.35 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1nrj h SER 119 CO 0.15 0.80 0.31 -0.33 -1.14 0.00 0.00 176.83 176.62 1nrj h GLU 120 N 0.57 0.68 -0.94 3.45 3.07 -1.87 -2.68 114.58 116.86 1nrj h GLU 120 Ca 0.13 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1nrj h GLU 120 Cb 0.41 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 1nrj h GLU 120 CO 0.01 0.49 0.61 0.77 -1.40 0.00 0.00 179.01 179.49 1nrj h SER 121 N 0.68 1.01 -0.59 1.42 0.02 -1.33 -1.71 113.55 113.04 1nrj h SER 121 Ca 0.18 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1nrj h SER 121 Cb -0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1nrj h SER 121 CO -0.03 0.68 0.14 0.40 -1.14 0.00 0.00 176.83 176.88 1nrj h ILE 122 N 1.17 1.25 -0.58 3.27 2.04 -1.23 -1.08 117.51 122.34 1nrj h ILE 122 Ca 0.38 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1nrj h ILE 122 Cb 0.02 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1nrj h ILE 122 CO -0.13 0.34 0.05 -0.07 0.00 0.00 0.00 178.15 178.34 1nrj h LEU 123 N 0.86 0.96 -0.65 1.44 3.38 -1.29 -3.02 115.31 117.00 1nrj h LEU 123 Ca 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1nrj h LEU 123 Cb 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1nrj h LEU 123 CO 0.00 1.01 0.23 0.11 0.09 0.00 0.00 178.44 179.88 1nrj h LYS 124 N 0.89 0.99 0.00 1.13 1.57 -1.06 -2.98 116.57 117.11 1nrj h LYS 124 Ca 0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nrj h LYS 124 Cb 0.48 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1nrj h LYS 124 CO 0.02 0.85 0.00 -0.91 -0.57 0.00 0.00 179.45 178.84 1nrj h ASN 125 N 0.93 0.00 1.01 0.86 2.35 -1.08 -2.28 115.58 117.37 1nrj h ASN 125 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1nrj h ASN 125 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1nrj h ASN 125 CO -0.01 0.00 -0.02 0.54 -1.65 0.00 0.00 177.43 176.28 1nrj n ARG 126 N -2.94 0.02 -3.25 0.81 1.74 -1.13 -4.61 116.66 107.31 1nrj n ARG 126 Ca -0.00 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 1nrj n ARG 126 Cb 0.23 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1nrj n ARG 126 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nrj s GLN 127 N -3.01 4.25 2.66 5.56 -1.52 -0.86 -4.97 119.66 121.77 1nrj s GLN 127 Ca 0.14 0.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 1nrj s GLN 127 Cb 0.18 -3.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 1nrj s GLN 127 CO 0.54 -0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.94 1nrj n GLY 128 N 3.65 -0.00 0.01 3.09 0.00 -1.26 -4.50 105.19 106.18 1nrj n GLY 128 Ca -0.05 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.07 1nrj n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nrj n GLN 129 N 0.00 0.31 0.20 1.61 6.02 -1.26 -4.68 117.38 119.58 1nrj n GLN 129 Ca 0.00 -0.08 0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1nrj n GLN 129 Cb 0.00 -1.52 0.43 0.00 1.02 0.00 0.00 30.24 30.17 1nrj n GLN 129 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1nrj h ASN 130 N 0.00 0.00 -0.50 1.08 -0.26 -1.93 -2.16 115.58 111.81 1nrj h ASN 130 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1nrj h ASN 130 Cb 0.73 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1nrj h ASN 130 CO 0.00 0.30 0.00 -0.62 -1.06 0.00 0.00 177.43 176.05 1nrj n GLU 131 N -4.11 2.50 -2.09 0.81 -0.58 -1.26 -4.97 120.64 110.93 1nrj n GLU 131 Ca -0.02 -2.29 -0.39 0.00 -0.42 0.00 0.00 57.16 54.04 1nrj n GLU 131 Cb 0.35 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1nrj n GLU 131 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nrj s LYS 132 N -1.35 3.82 0.17 3.49 1.02 -0.82 -4.70 119.74 121.39 1nrj s LYS 132 Ca 0.41 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1nrj s LYS 132 Cb 0.23 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1nrj s LYS 132 CO 0.31 -0.58 0.24 0.27 -0.92 0.00 0.00 175.35 174.68 1nrj n ASN 133 N -0.16 0.36 0.19 2.83 0.23 -0.25 -4.84 115.26 113.62 1nrj n ASN 133 Ca 0.05 -1.30 0.14 0.00 -0.53 0.00 0.00 54.58 52.94 1nrj n ASN 133 Cb 0.45 -0.15 0.65 0.00 -2.08 0.00 0.00 39.78 38.65 1nrj n ASN 133 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1nrj h LYS 134 N 0.00 0.00 -0.63 -3.83 2.10 -1.96 -1.42 116.57 110.83 1nrj h LYS 134 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1nrj h LYS 134 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1nrj h LYS 134 CO 0.09 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.26 1nrj n HIS 135 N -2.47 0.94 -2.42 0.07 8.25 -1.26 -4.92 115.22 113.42 1nrj n HIS 135 Ca -0.00 -0.36 -0.17 0.00 -0.26 0.00 0.00 57.72 56.92 1nrj n HIS 135 Cb 0.14 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 1nrj n HIS 135 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1nrj n ASN 136 N 0.51 -5.11 -4.29 0.41 5.15 -0.53 -5.02 115.26 106.38 1nrj n ASN 136 Ca 0.15 -0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.78 1nrj n ASN 136 Cb 0.62 -4.16 -0.16 0.00 -0.53 0.00 0.00 39.78 35.55 1nrj n ASN 136 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1nrj s TYR 137 N -2.89 2.25 -0.57 1.20 5.04 -1.26 -4.83 117.35 116.30 1nrj s TYR 137 Ca 0.04 -0.46 -0.22 0.00 -2.44 0.00 0.00 57.07 53.98 1nrj s TYR 137 Cb -0.02 -1.46 0.05 0.00 0.35 0.00 0.00 41.96 40.89 1nrj s TYR 137 CO 0.05 -0.06 0.87 0.08 -1.34 0.00 0.00 175.55 175.14 1nrj s VAL 138 N -0.52 4.50 -0.13 3.14 1.01 -1.26 -1.09 120.40 126.05 1nrj s VAL 138 Ca 0.08 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1nrj s VAL 138 Cb -0.10 -4.52 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1nrj s VAL 138 CO -0.00 -1.12 1.04 -0.62 0.00 0.00 0.00 175.10 174.39 1nrj s ASP 139 N 3.02 7.19 0.53 3.32 2.15 -1.26 -4.96 116.67 126.66 1nrj s ASP 139 Ca 0.24 1.53 0.18 0.00 0.43 0.00 0.00 52.55 54.93 1nrj s ASP 139 Cb -0.15 -2.55 1.34 0.00 -0.30 0.00 0.00 42.92 41.25 1nrj s ASP 139 CO 0.15 -0.51 2.16 -0.29 -0.17 0.00 0.00 175.17 176.51 1nrj h ILE 140 N 5.17 0.94 0.00 4.11 2.10 -1.99 0.42 117.51 128.26 1nrj h ILE 140 Ca -0.29 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1nrj h ILE 140 Cb 1.13 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 1nrj h ILE 140 CO 0.89 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 178.14 1nrj n LEU 141 N -4.45 0.08 -4.64 2.19 4.77 -1.26 -4.74 117.00 108.95 1nrj n LEU 141 Ca -0.03 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1nrj n LEU 141 Cb 0.09 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1nrj n LEU 141 CO 0.33 0.02 1.21 -1.58 -1.33 0.00 0.00 177.39 176.05 1nrj s GLN 142 N -1.89 3.97 0.00 3.23 2.00 0.15 -3.55 119.66 123.57 1nrj s GLN 142 Ca 0.00 1.55 0.00 0.00 -2.00 0.00 0.00 55.36 54.91 1nrj s GLN 142 Cb 0.00 -3.91 0.00 0.00 0.80 0.00 0.00 33.01 29.90 1nrj s GLN 142 CO 0.00 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.14 1nrj n GLY 143 N 4.25 0.21 0.68 2.59 0.00 -1.26 -4.75 105.19 106.90 1nrj n GLY 143 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1nrj n GLY 143 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nrj n ILE 144 N -2.35 0.91 -0.22 -0.61 -5.35 -1.23 -4.77 119.36 105.73 1nrj n ILE 144 Ca 0.00 -0.96 -0.03 0.00 -0.27 0.00 0.00 62.75 61.49 1nrj n ILE 144 Cb 0.28 0.57 0.07 0.00 -1.74 0.00 0.00 39.64 38.82 1nrj n ILE 144 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1nrj h GLU 145 N 2.22 0.69 -0.19 6.28 4.57 -1.86 -1.42 114.58 124.86 1nrj h GLU 145 Ca 0.00 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1nrj h GLU 145 Cb 0.73 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1nrj h GLU 145 CO 0.00 0.46 -0.48 -0.44 -1.18 0.00 0.00 179.01 177.37 1nrj h ASP 146 N 0.71 0.75 -0.54 1.04 3.45 -1.94 -2.73 116.42 117.16 1nrj h ASP 146 Ca 0.26 -0.57 0.04 0.00 0.43 0.00 0.00 57.03 57.19 1nrj h ASP 146 Cb 0.08 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 1nrj h ASP 146 CO -0.13 1.19 0.36 0.44 -1.57 0.00 0.00 179.24 179.52 1nrj h ASP 147 N 0.36 0.50 -0.37 6.45 3.32 -1.85 -2.74 116.42 122.09 1nrj h ASP 147 Ca -0.00 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1nrj h ASP 147 Cb 1.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1nrj h ASP 147 CO 0.10 0.34 -0.38 0.25 -1.72 0.00 0.00 179.24 177.83 1nrj h LEU 148 N 0.57 0.98 -1.35 1.55 5.85 -1.17 -2.11 115.31 119.63 1nrj h LEU 148 Ca 0.22 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1nrj h LEU 148 Cb 0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1nrj h LEU 148 CO -0.06 1.24 -0.30 0.11 -0.34 0.00 0.00 178.44 179.09 1nrj h LYS 149 N 0.75 0.00 -0.23 1.25 6.56 -1.26 -0.17 116.57 123.48 1nrj h LYS 149 Ca 0.06 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 1nrj h LYS 149 Cb 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 1nrj h LYS 149 CO 0.09 0.30 -0.65 1.57 -2.06 0.00 0.00 179.45 178.71 1nrj h LYS 150 N 0.00 0.85 -0.61 3.15 5.09 -1.39 -1.81 116.57 121.84 1nrj h LYS 150 Ca -0.00 -0.60 -0.00 0.00 0.09 0.00 0.00 60.65 60.14 1nrj h LYS 150 Cb 0.63 0.10 -0.03 0.00 0.10 0.00 0.00 32.23 33.02 1nrj h LYS 150 CO 0.04 1.22 0.37 0.35 -2.09 0.00 0.00 179.45 179.34 1nrj h PHE 151 N 0.62 0.80 -0.70 0.07 3.57 -0.90 -2.43 116.94 117.97 1nrj h PHE 151 Ca -0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1nrj h PHE 151 Cb 1.27 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.66 1nrj h PHE 151 CO 0.08 0.54 0.29 0.93 -2.23 0.00 0.00 178.31 177.92 1nrj h GLU 152 N 0.83 0.45 -0.00 1.11 4.39 -0.97 -2.94 114.58 117.45 1nrj h GLU 152 Ca 0.22 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1nrj h GLU 152 Cb -0.03 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1nrj h GLU 152 CO -0.04 0.30 0.00 1.04 -1.16 0.00 0.00 179.01 179.14 1nrj n GLN 153 N -4.98 1.04 -2.07 2.33 3.00 -0.69 -2.59 117.38 113.43 1nrj n GLN 153 Ca 0.12 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1nrj n GLN 153 Cb 0.35 -1.45 0.03 0.00 0.00 0.00 0.00 30.24 29.17 1nrj n GLN 153 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1nrj n TYR 154 N -0.87 3.15 -1.79 1.08 4.02 -1.11 -5.07 117.16 116.56 1nrj n TYR 154 Ca 0.21 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.43 1nrj n TYR 154 Cb 0.11 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1nrj n TYR 154 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04