#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjj s ALA 2 N 0.00 0.84 0.00 3.04 0.00 -1.26 -4.90 121.76 119.48 1rjj s ALA 2 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rjj s ALA 2 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1rjj s ALA 2 CO 0.00 -1.86 0.00 2.41 0.00 0.00 0.00 175.76 176.31 1rjj n THR 3 N 4.66 0.00 0.00 0.00 -1.04 -1.26 -4.99 114.28 111.65 1rjj n THR 3 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1rjj n THR 3 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1rjj n THR 3 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1rjj n SER 4 N 0.00 0.00 -4.87 8.00 2.88 -1.24 -4.70 113.62 113.68 1rjj n SER 4 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1rjj n SER 4 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1rjj s GLY 5 N 0.00 1.62 -0.04 0.46 0.00 0.11 -4.42 107.32 105.06 1rjj s GLY 5 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1rjj s GLY 5 CO 0.00 -0.25 -0.07 -0.12 0.00 0.00 0.00 173.10 172.66 1rjj s PHE 6 N -3.53 0.86 -0.22 1.90 5.36 -0.90 0.21 117.98 121.66 1rjj s PHE 6 Ca 0.62 -0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 56.26 1rjj s PHE 6 Cb -0.11 -0.67 -0.05 0.00 -0.34 0.00 0.00 43.02 41.86 1rjj s PHE 6 CO 0.48 -0.15 0.14 0.21 -1.46 0.00 0.00 175.22 174.45 1rjj s LYS 7 N 0.53 4.10 -0.23 10.12 2.20 -0.14 -0.71 119.74 135.62 1rjj s LYS 7 Ca -0.08 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1rjj s LYS 7 Cb -0.11 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1rjj s LYS 7 CO 0.01 0.16 -0.11 -1.01 -0.36 0.00 0.00 175.35 174.03 1rjj s HIS 8 N 0.78 2.99 -0.00 4.03 3.76 0.94 -2.40 115.29 125.39 1rjj s HIS 8 Ca 0.07 -1.64 0.03 0.00 -0.15 0.00 0.00 55.06 53.38 1rjj s HIS 8 Cb -0.13 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1rjj s HIS 8 CO 0.02 -0.76 -0.11 -1.17 -0.85 0.00 0.00 174.74 171.87 1rjj s LEU 9 N 1.30 2.05 -0.01 0.89 0.20 -1.15 0.15 118.68 122.10 1rjj s LEU 9 Ca 0.01 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1rjj s LEU 9 Cb -0.16 -0.55 -0.00 0.00 -0.43 0.00 0.00 46.19 45.05 1rjj s LEU 9 CO -0.07 0.11 -0.10 0.54 -0.29 0.00 0.00 176.35 176.54 1rjj s VAL 10 N -0.36 0.81 -0.10 1.68 0.11 -1.01 -1.81 120.40 119.73 1rjj s VAL 10 Ca 0.03 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1rjj s VAL 10 Cb -0.05 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1rjj s VAL 10 CO -0.00 0.24 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.08 1rjj s VAL 11 N -0.09 2.05 0.04 2.04 1.01 0.12 -1.97 120.40 123.60 1rjj s VAL 11 Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1rjj s VAL 11 Cb -0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1rjj s VAL 11 CO -0.00 0.56 -0.09 0.68 0.00 0.00 0.00 175.10 176.25 1rjj s VAL 12 N 0.31 0.63 0.16 2.92 -7.23 -0.85 -1.99 120.40 114.36 1rjj s VAL 12 Ca -0.18 -1.03 0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1rjj s VAL 12 Cb -0.18 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1rjj s VAL 12 CO 0.09 -0.30 -0.25 -0.75 -0.31 0.00 0.00 175.10 173.57 1rjj s LYS 13 N -1.46 1.45 0.15 4.82 2.47 -1.23 -3.14 119.74 122.81 1rjj s LYS 13 Ca -0.07 -1.43 0.08 0.00 -1.56 0.00 0.00 55.97 52.99 1rjj s LYS 13 Cb -0.09 -1.86 -0.04 0.00 -1.46 0.00 0.00 37.83 34.38 1rjj s LYS 13 CO 0.01 0.42 -0.08 -0.59 0.16 0.00 0.00 175.35 175.27 1rjj s PHE 14 N -1.35 2.70 0.00 4.03 -0.12 -1.26 -0.09 117.98 121.89 1rjj s PHE 14 Ca 0.17 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1rjj s PHE 14 Cb -0.09 -1.35 0.00 0.00 -0.63 0.00 0.00 43.02 40.95 1rjj s PHE 14 CO 0.08 0.48 0.00 0.36 -0.05 0.00 0.00 175.22 176.09 1rjj n LYS 15 N 0.24 2.87 -0.08 1.99 2.85 -1.26 -4.81 118.16 119.95 1rjj n LYS 15 Ca -0.12 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 1rjj n LYS 15 Cb 0.54 -0.69 -0.04 0.00 -0.65 0.00 0.00 35.03 34.19 1rjj n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1rjj n GLU 16 N -0.79 0.48 0.00 -1.58 -0.58 -1.26 -4.99 120.64 111.92 1rjj n GLU 16 Ca 0.00 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1rjj n GLU 16 Cb 0.00 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1rjj n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rjj n ASP 17 N -4.56 0.00 -4.51 1.62 9.92 -1.26 -5.10 116.55 112.65 1rjj n ASP 17 Ca -0.14 0.00 -0.51 0.00 -0.53 0.00 0.00 54.79 53.61 1rjj n ASP 17 Cb 0.38 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.80 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1rjj n THR 18 N 0.00 0.26 -2.35 -3.53 -1.04 -1.26 -4.84 114.28 101.52 1rjj n THR 18 Ca 0.00 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.05 61.43 1rjj n THR 18 Cb 0.00 -1.67 -0.04 0.00 -1.82 0.00 0.00 70.33 66.80 1rjj n THR 18 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rjj s LYS 19 N 5.64 3.16 0.19 -2.82 0.00 -1.26 -4.80 119.74 119.85 1rjj s LYS 19 Ca 1.06 -0.73 -0.11 0.00 0.00 0.00 0.00 55.97 56.19 1rjj s LYS 19 Cb -0.84 -5.18 0.11 0.00 0.00 0.00 0.00 37.83 31.93 1rjj s LYS 19 CO 0.51 -2.66 1.76 -0.39 0.00 0.00 0.00 175.35 174.57 1rjj h VAL 20 N 6.95 1.23 -0.39 1.79 -1.51 -1.97 0.17 116.25 122.53 1rjj h VAL 20 Ca 0.13 -0.70 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 1rjj h VAL 20 Cb 1.01 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1rjj h VAL 20 CO 1.34 0.28 0.15 0.44 -1.23 0.00 0.00 177.57 178.55 1rjj h ASP 21 N 0.94 0.54 0.25 4.19 3.32 -1.97 3.16 116.42 126.85 1rjj h ASP 21 Ca 0.23 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1rjj h ASP 21 Cb 0.17 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1rjj h ASP 21 CO -0.02 0.57 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.25 1rjj h GLU 22 N 0.48 0.28 -0.40 3.56 4.39 -1.92 -0.03 114.58 120.93 1rjj h GLU 22 Ca 0.13 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 1rjj h GLU 22 Cb 0.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1rjj h GLU 22 CO -0.01 0.72 -0.33 0.82 -1.16 0.00 0.00 179.01 179.05 1rjj h ILE 23 N 0.23 1.27 -0.90 3.13 1.08 -0.04 -2.47 117.51 119.81 1rjj h ILE 23 Ca 0.01 -1.50 0.03 0.00 -0.39 0.00 0.00 64.86 63.01 1rjj h ILE 23 Cb 0.95 1.33 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 1rjj h ILE 23 CO 0.08 0.50 0.59 0.25 -0.69 0.00 0.00 178.15 178.88 1rjj h LEU 24 N 0.76 0.97 -1.36 1.44 5.85 0.64 0.13 115.31 123.76 1rjj h LEU 24 Ca 0.07 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1rjj h LEU 24 Cb 0.92 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1rjj h LEU 24 CO 0.09 0.67 0.21 0.50 -0.34 0.00 0.00 178.44 179.56 1rjj h LYS 25 N 1.13 0.64 0.29 1.25 3.64 -0.58 -0.66 116.57 122.28 1rjj h LYS 25 Ca 0.36 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1rjj h LYS 25 Cb 0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1rjj h LYS 25 CO -0.11 0.51 -0.14 0.78 -2.27 0.00 0.00 179.45 178.23 1rjj h GLY 26 N 0.77 -0.41 -0.19 5.01 0.00 -0.45 -2.20 103.07 105.59 1rjj h GLY 26 Ca 0.16 0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.84 1rjj h GLY 26 CO -0.02 -0.15 0.31 -2.00 0.00 0.00 0.00 176.54 174.68 1rjj h LEU 27 N -0.59 0.19 -0.53 3.11 6.46 -0.36 0.73 115.31 124.33 1rjj h LEU 27 Ca -0.04 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.95 1rjj h LEU 27 Cb 0.43 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 1rjj h LEU 27 CO 0.07 -0.03 0.19 -0.33 -0.62 0.00 0.00 178.44 177.71 1rjj h GLU 28 N 0.34 0.35 -0.92 1.25 4.39 -0.75 0.48 114.58 119.72 1rjj h GLU 28 Ca 0.51 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.33 1rjj h GLU 28 Cb 0.95 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.43 1rjj h GLU 28 CO -0.54 0.23 0.53 -2.95 -1.16 0.00 0.00 179.01 175.13 1rjj h ASN 29 N 0.36 0.72 -0.94 1.42 7.08 0.10 0.49 115.58 124.81 1rjj h ASN 29 Ca 0.26 0.07 0.24 0.00 -3.08 0.00 0.00 56.30 53.79 1rjj h ASN 29 Cb 0.29 -0.06 -0.13 0.00 -2.08 0.00 0.00 38.32 36.35 1rjj h ASN 29 CO -0.27 0.34 0.47 0.25 -2.08 0.00 0.00 177.43 176.13 1rjj h LEU 30 N 0.79 0.44 -2.20 6.14 7.12 0.15 2.12 115.31 129.87 1rjj h LEU 30 Ca 0.49 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.66 1rjj h LEU 30 Cb 0.61 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1rjj h LEU 30 CO -0.32 0.01 0.27 0.58 -0.13 0.00 0.00 178.44 178.85 1rjj h VAL 31 N 0.44 0.04 -0.95 1.05 2.07 0.44 -1.23 116.25 118.11 1rjj h VAL 31 Ca 0.60 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.41 1rjj h VAL 31 Cb 1.18 0.74 -0.15 0.00 -1.52 0.00 0.00 31.29 31.53 1rjj h VAL 31 CO -0.53 0.00 0.40 0.28 0.02 0.00 0.00 177.57 177.74 1rjj h SER 32 N 0.00 0.23 0.79 0.57 0.02 0.35 1.51 113.55 117.02 1rjj h SER 32 Ca 0.01 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1rjj h SER 32 Cb 0.55 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1rjj h SER 32 CO -0.00 -0.17 -0.19 0.00 -1.14 0.00 0.00 176.83 175.33 1rjj n GLN 33 N -5.16 0.03 -0.58 3.45 1.13 -0.47 -3.83 117.38 111.96 1rjj n GLN 33 Ca 0.27 -0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 55.30 1rjj n GLN 33 Cb 0.86 -1.50 0.18 0.00 0.11 0.00 0.00 30.24 29.89 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rjj n ILE 34 N -1.48 1.81 0.00 5.09 2.08 0.52 -4.05 119.36 123.33 1rjj n ILE 34 Ca 0.07 -0.89 0.00 0.00 0.56 0.00 0.00 62.75 62.48 1rjj n ILE 34 Cb 0.33 -0.49 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 1rjj n ILE 34 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1rjj n ASP 35 N 0.08 0.00 0.00 4.38 8.00 -1.21 0.17 116.55 127.96 1rjj n ASP 35 Ca 0.22 0.40 0.15 0.00 0.71 0.00 0.00 54.79 56.27 1rjj n ASP 35 Cb 0.92 -0.40 0.82 0.00 -0.02 0.00 0.00 41.12 42.45 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rjj n THR 36 N -1.39 0.02 -3.40 -3.53 -2.24 -1.26 -4.86 114.28 97.62 1rjj n THR 36 Ca 0.00 0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 1rjj n THR 36 Cb 0.05 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 1rjj n THR 36 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1rjj n VAL 37 N -1.14 -0.12 -2.19 2.28 0.24 0.45 -4.68 118.33 113.17 1rjj n VAL 37 Ca 0.18 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.34 62.20 1rjj n VAL 37 Cb 0.17 -0.36 0.02 0.00 -1.47 0.00 0.00 33.84 32.19 1rjj n VAL 37 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1rjj n LYS 38 N -2.76 3.36 -3.91 7.34 2.85 -1.26 -5.03 118.16 118.74 1rjj n LYS 38 Ca 0.02 -4.15 0.01 0.00 -1.05 0.00 0.00 58.31 53.14 1rjj n LYS 38 Cb 0.30 -2.19 0.01 0.00 -0.65 0.00 0.00 35.03 32.51 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1rjj s SER 39 N -3.60 -0.00 0.04 -5.58 1.04 -1.26 0.14 113.70 104.47 1rjj s SER 39 Ca 0.48 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 1rjj s SER 39 Cb 0.40 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1rjj s SER 39 CO -0.01 -0.53 0.20 -0.36 0.98 0.00 0.00 173.24 173.53 1rjj s PHE 40 N -2.13 0.04 -0.20 5.02 0.08 0.23 -4.94 117.98 116.07 1rjj s PHE 40 Ca 0.25 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.96 1rjj s PHE 40 Cb -0.01 -0.02 0.09 0.00 -0.57 0.00 0.00 43.02 42.51 1rjj s PHE 40 CO 0.01 -0.44 0.43 -1.21 -0.10 0.00 0.00 175.22 173.91 1rjj s GLU 41 N -2.61 0.34 0.32 0.44 8.01 -1.25 -1.04 118.70 122.92 1rjj s GLU 41 Ca -0.05 1.03 0.05 0.00 0.01 0.00 0.00 54.97 56.01 1rjj s GLU 41 Cb -0.01 0.31 -0.06 0.00 -4.31 0.00 0.00 34.13 30.06 1rjj s GLU 41 CO -0.04 -0.24 0.02 -1.58 0.01 0.00 0.00 175.26 173.43 1rjj s TRP 42 N 2.48 2.03 0.19 1.61 0.52 -1.16 -4.95 118.94 119.67 1rjj s TRP 42 Ca -0.03 -0.86 0.07 0.00 0.02 0.00 0.00 56.10 55.31 1rjj s TRP 42 Cb -0.12 -1.31 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 1rjj s TRP 42 CO -0.13 0.13 -0.14 0.20 0.02 0.00 0.00 176.95 177.03 1rjj s GLY 43 N -3.50 1.37 -0.10 0.98 0.00 -1.26 -2.48 107.32 102.32 1rjj s GLY 43 Ca 0.35 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1rjj s GLY 43 CO 0.15 -1.70 0.28 -0.54 0.00 0.00 0.00 173.10 171.29 1rjj s GLU 44 N -3.52 0.34 0.14 2.90 8.01 -0.97 -4.97 118.70 120.63 1rjj s GLU 44 Ca 0.21 0.35 0.06 0.00 0.01 0.00 0.00 54.97 55.60 1rjj s GLU 44 Cb -0.01 0.17 -0.04 0.00 -4.31 0.00 0.00 34.13 29.93 1rjj s GLU 44 CO 0.06 -0.05 -0.15 0.34 0.01 0.00 0.00 175.26 175.48 1rjj s ASP 45 N 0.06 2.17 -1.08 -0.19 2.15 -1.26 -1.54 116.67 116.97 1rjj s ASP 45 Ca -0.01 -0.86 -0.27 0.00 0.43 0.00 0.00 52.55 51.85 1rjj s ASP 45 Cb -0.02 -0.09 -0.23 0.00 -0.30 0.00 0.00 42.92 42.28 1rjj s ASP 45 CO 0.01 -0.14 2.12 -1.59 -0.17 0.00 0.00 175.17 175.40 1rjj s LYS 46 N -2.88 1.11 -0.62 4.34 0.00 -1.22 -4.62 119.74 115.85 1rjj s LYS 46 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1rjj s LYS 46 Cb -0.04 -4.97 0.43 0.00 0.00 0.00 0.00 37.83 33.25 1rjj s LYS 46 CO 0.04 -5.60 1.82 0.39 0.00 0.00 0.00 175.35 172.00 1rjj n GLU 47 N 8.16 2.92 -4.04 1.78 1.02 -1.26 -4.98 120.64 124.25 1rjj n GLU 47 Ca 0.41 -3.58 -0.14 0.00 -0.02 0.00 0.00 57.16 53.83 1rjj n GLU 47 Cb 0.47 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1rjj s SER 48 N -2.12 0.85 0.62 1.62 0.01 -1.26 -5.02 113.70 108.40 1rjj s SER 48 Ca 0.59 -1.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.19 1rjj s SER 48 Cb 0.47 0.71 -0.02 0.00 0.21 0.00 0.00 66.02 67.39 1rjj s SER 48 CO -0.09 -1.39 1.26 -1.00 0.41 0.00 0.00 173.24 172.42 1rjj s HIS 49 N -2.82 2.21 0.30 2.43 3.76 -1.26 -4.25 115.29 115.67 1rjj s HIS 49 Ca 0.28 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.74 1rjj s HIS 49 Cb -0.01 -3.60 0.81 0.00 1.11 0.00 0.00 32.58 30.89 1rjj s HIS 49 CO 0.20 -2.62 1.63 0.38 -0.85 0.00 0.00 174.74 173.48 1rjj h ASP 50 N 0.70 -0.01 0.40 1.40 2.03 -1.98 1.58 116.42 120.53 1rjj h ASP 50 Ca -0.51 0.22 -0.07 0.00 -0.73 0.00 0.00 57.03 55.94 1rjj h ASP 50 Cb 1.32 0.30 -0.01 0.00 -0.83 0.00 0.00 39.33 40.11 1rjj h ASP 50 CO 0.54 -0.22 -0.32 0.24 -1.03 0.00 0.00 179.24 178.45 1rjj h MET 51 N 0.16 0.00 0.00 4.15 2.86 -1.98 -2.03 114.93 118.08 1rjj h MET 51 Ca 0.61 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.89 1rjj h MET 51 Cb 1.29 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.89 1rjj h MET 51 CO -0.71 0.32 -2.27 1.28 1.06 0.00 0.00 176.91 176.59 1rjj n LEU 52 N -4.01 0.20 -0.26 1.22 4.77 0.22 -4.26 117.00 114.89 1rjj n LEU 52 Ca -0.02 0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1rjj n LEU 52 Cb 0.38 0.42 0.62 0.00 -2.33 0.00 0.00 43.42 42.51 1rjj n LEU 52 CO 0.37 0.49 0.90 -2.11 -1.33 0.00 0.00 177.39 175.71 1rjj n ARG 53 N -2.81 1.18 -0.33 3.23 1.85 0.48 -4.87 116.66 115.39 1rjj n ARG 53 Ca -0.30 -0.52 -0.00 0.00 -1.00 0.00 0.00 57.85 56.03 1rjj n ARG 53 Cb 1.14 -1.49 -0.00 0.00 -1.05 0.00 0.00 32.46 31.06 1rjj n ARG 53 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1rjj n GLN 54 N -0.46 -1.97 -0.23 2.89 7.27 -0.77 -2.45 117.38 121.67 1rjj n GLN 54 Ca 0.18 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1rjj n GLN 54 Cb 0.28 -3.29 0.00 0.00 2.41 0.00 0.00 30.24 29.64 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rjj n GLY 55 N 0.28 0.00 3.69 1.69 0.00 -1.26 -4.90 105.19 104.70 1rjj n GLY 55 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1rjj n GLY 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rjj n PHE 56 N -1.85 2.46 -0.13 1.61 -1.74 -1.02 -4.87 117.46 111.92 1rjj n PHE 56 Ca 0.00 0.22 -0.04 0.00 -0.56 0.00 0.00 57.45 57.07 1rjj n PHE 56 Cb 0.00 -2.58 0.04 0.00 1.52 0.00 0.00 39.48 38.46 1rjj n PHE 56 CO 0.00 0.00 0.00 1.79 -0.56 0.00 0.00 176.76 177.99 1rjj h THR 57 N 3.57 0.74 -1.67 1.97 1.35 -1.91 -3.21 112.91 113.75 1rjj h THR 57 Ca -0.45 -0.06 0.21 0.00 -0.55 0.00 0.00 66.41 65.56 1rjj h THR 57 Cb 1.24 0.54 -0.18 0.00 -1.73 0.00 0.00 68.15 68.02 1rjj h THR 57 CO 0.88 0.03 0.72 -2.28 -0.25 0.00 0.00 175.52 174.63 1rjj s HIS 58 N -6.16 -0.19 0.21 4.73 2.46 -1.19 -3.49 115.29 111.67 1rjj s HIS 58 Ca -0.13 0.14 -0.06 0.00 0.47 0.00 0.00 55.06 55.48 1rjj s HIS 58 Cb 0.14 0.52 -0.02 0.00 -0.13 0.00 0.00 32.58 33.08 1rjj s HIS 58 CO 0.72 -0.29 0.27 0.00 -2.47 0.00 0.00 174.74 172.96 1rjj s ALA 59 N -2.49 0.56 -0.04 1.58 0.00 -0.59 -2.00 121.76 118.79 1rjj s ALA 59 Ca 0.08 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1rjj s ALA 59 Cb -0.01 1.22 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1rjj s ALA 59 CO -0.06 -0.69 -0.04 -0.06 0.00 0.00 0.00 175.76 174.92 1rjj s PHE 60 N -4.09 0.64 -0.59 0.00 0.08 -0.83 -2.30 117.98 110.89 1rjj s PHE 60 Ca 0.31 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.05 1rjj s PHE 60 Cb 0.04 -0.58 0.15 0.00 -0.57 0.00 0.00 43.02 42.05 1rjj s PHE 60 CO 0.10 -0.16 0.54 -1.12 -0.10 0.00 0.00 175.22 174.48 1rjj s SER 61 N 0.83 6.27 -0.29 1.36 0.01 -1.04 -2.40 113.70 118.45 1rjj s SER 61 Ca -0.11 -1.96 -0.12 0.00 1.31 0.00 0.00 55.95 55.07 1rjj s SER 61 Cb -0.13 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1rjj s SER 61 CO -0.00 -0.80 0.25 -0.04 0.41 0.00 0.00 173.24 173.06 1rjj s MET 62 N 1.33 3.86 0.01 12.44 -1.94 0.40 -2.98 119.30 132.42 1rjj s MET 62 Ca 0.06 -0.31 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 1rjj s MET 62 Cb -0.26 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 32.86 1rjj s MET 62 CO 0.01 -0.27 -0.22 0.99 -0.01 0.00 0.00 175.02 175.52 1rjj s THR 63 N 1.84 1.76 0.31 2.05 2.01 -0.21 0.32 115.64 123.72 1rjj s THR 63 Ca 0.09 -1.10 0.11 0.00 0.31 0.00 0.00 61.69 61.10 1rjj s THR 63 Cb -0.16 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 1rjj s THR 63 CO 0.11 0.37 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.90 1rjj s PHE 64 N -0.66 2.35 0.08 4.92 0.08 0.11 0.74 117.98 125.60 1rjj s PHE 64 Ca 0.09 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 56.80 1rjj s PHE 64 Cb -0.09 -1.20 -0.21 0.00 -0.57 0.00 0.00 43.02 40.95 1rjj s PHE 64 CO 0.01 0.65 1.13 1.49 -0.10 0.00 0.00 175.22 178.39 1rjj h GLU 65 N 2.14 0.00 -2.27 0.44 4.22 -0.63 -2.39 114.58 116.09 1rjj h GLU 65 Ca -0.41 0.00 0.21 0.00 0.08 0.00 0.00 59.36 59.24 1rjj h GLU 65 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1rjj h GLU 65 CO 0.65 0.87 0.63 1.21 -2.18 0.00 0.00 179.01 180.19 1rjj s ASN 66 N -6.55 -0.06 0.63 1.04 3.84 -1.26 -4.04 114.94 108.55 1rjj s ASN 66 Ca -0.00 -0.47 0.36 0.00 0.21 0.00 0.00 52.86 52.95 1rjj s ASN 66 Cb 0.09 0.41 2.01 0.00 -0.55 0.00 0.00 41.25 43.22 1rjj s ASN 66 CO 0.82 -0.79 2.23 0.07 -2.79 0.00 0.00 177.10 176.64 1rjj h LYS 67 N 2.00 0.00 -0.84 0.43 2.10 -1.93 -2.49 116.57 115.84 1rjj h LYS 67 Ca -0.27 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.46 1rjj h LYS 67 Cb 1.22 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.49 1rjj h LYS 67 CO 0.31 0.00 0.55 0.22 -2.00 0.00 0.00 179.45 178.53 1rjj h ASP 68 N 0.00 0.78 0.14 7.07 3.58 -1.99 0.25 116.42 126.25 1rjj h ASP 68 Ca 0.02 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1rjj h ASP 68 Cb 0.20 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1rjj h ASP 68 CO -0.00 0.48 -0.36 1.23 -2.88 0.00 0.00 179.24 177.71 1rjj h GLY 69 N 0.87 0.34 0.91 -0.78 0.00 -1.77 -1.92 103.07 100.71 1rjj h GLY 69 Ca 0.37 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1rjj h GLY 69 CO -0.14 0.27 -0.06 -1.82 0.00 0.00 0.00 176.54 174.79 1rjj h TYR 70 N 0.26 0.68 0.00 5.60 3.20 -1.09 -1.59 116.97 124.03 1rjj h TYR 70 Ca 0.03 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1rjj h TYR 70 Cb 0.76 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1rjj h TYR 70 CO 0.02 0.78 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.44 1rjj h VAL 71 N 0.39 1.24 0.69 1.81 -1.51 -1.26 -2.18 116.25 115.43 1rjj h VAL 71 Ca 0.08 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.82 1rjj h VAL 71 Cb 0.54 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1rjj h VAL 71 CO 0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.51 1rjj h ALA 72 N 1.52 -1.00 0.81 5.19 0.00 -1.05 -2.00 119.26 122.73 1rjj h ALA 72 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1rjj h ALA 72 Cb 0.91 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1rjj h ALA 72 CO 0.06 -0.93 -0.39 0.35 0.00 0.00 0.00 179.25 178.34 1rjj h PHE 73 N -1.15 -1.01 -1.02 0.00 3.57 -1.33 -3.03 116.94 112.97 1rjj h PHE 73 Ca -0.09 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.63 1rjj h PHE 73 Cb 0.71 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.69 1rjj h PHE 73 CO 0.02 -0.63 0.65 0.00 -2.23 0.00 0.00 178.31 176.11 1rjj h THR 74 N -1.27 0.56 0.00 4.41 1.03 -1.53 0.56 112.91 116.67 1rjj h THR 74 Ca -0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1rjj h THR 74 Cb 0.84 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1rjj h THR 74 CO 0.18 0.09 0.00 -1.54 -0.01 0.00 0.00 175.52 174.24 1rjj n SER 75 N -4.67 0.26 -4.68 0.00 3.41 -0.75 -4.58 113.62 102.61 1rjj n SER 75 Ca 0.25 0.58 -0.38 0.00 -0.26 0.00 0.00 58.87 59.06 1rjj n SER 75 Cb 0.81 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1rjj n SER 75 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1rjj s HIS 76 N -3.17 3.41 -0.33 7.33 4.02 0.19 -4.90 115.29 121.84 1rjj s HIS 76 Ca 0.03 0.75 0.00 0.00 1.02 0.00 0.00 55.06 56.86 1rjj s HIS 76 Cb 0.07 -2.59 0.00 0.00 -1.02 0.00 0.00 32.58 29.04 1rjj s HIS 76 CO 0.22 -0.00 0.34 -2.30 1.02 0.00 0.00 174.74 174.02 1rjj n PRO 77 N 4.41 0.00 0.17 8.40 -0.02 -1.26 -1.06 135.00 145.64 1rjj n PRO 77 Ca -0.07 0.05 0.05 0.00 -2.02 0.00 0.00 63.50 61.51 1rjj n PRO 77 Cb 0.51 -1.68 0.25 0.00 -0.02 0.00 0.00 33.50 32.55 1rjj n PRO 77 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rjj h LEU 78 N 0.00 0.00 0.06 2.45 5.85 -1.89 -3.16 115.31 118.61 1rjj h LEU 78 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1rjj h LEU 78 Cb 0.37 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.41 1rjj h LEU 78 CO 0.00 0.42 -0.58 -0.74 -0.34 0.00 0.00 178.44 177.20 1rjj h HIS 79 N 0.00 0.47 0.67 1.25 2.76 -1.34 -2.86 115.15 116.11 1rjj h HIS 79 Ca -0.00 -0.30 -0.03 0.00 -2.20 0.00 0.00 60.37 57.83 1rjj h HIS 79 Cb 1.04 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.97 1rjj h HIS 79 CO 0.00 1.17 -0.32 -0.24 -1.30 0.00 0.00 177.93 177.23 1rjj h VAL 80 N -0.35 0.23 -0.88 5.26 3.04 -1.76 0.39 116.25 122.18 1rjj h VAL 80 Ca -0.09 -0.22 0.16 0.00 -1.01 0.00 0.00 66.70 65.54 1rjj h VAL 80 Cb 1.37 0.29 -0.07 0.00 -2.01 0.00 0.00 31.29 30.87 1rjj h VAL 80 CO 0.11 0.02 0.57 -0.08 -1.01 0.00 0.00 177.57 177.18 1rjj h GLU 81 N -1.07 0.58 -0.06 4.17 4.81 -1.70 -0.02 114.58 121.29 1rjj h GLU 81 Ca -0.09 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 1rjj h GLU 81 Cb 0.73 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1rjj h GLU 81 CO 0.15 0.39 -0.82 0.74 -0.73 0.00 0.00 179.01 178.74 1rjj h PHE 82 N 0.60 0.66 -0.62 0.92 -1.00 -1.24 -3.09 116.94 113.17 1rjj h PHE 82 Ca 0.45 -0.32 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1rjj h PHE 82 Cb 0.83 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1rjj h PHE 82 CO -0.00 1.11 0.32 0.66 -1.61 0.00 0.00 178.31 178.79 1rjj h SER 83 N 0.30 0.80 -0.49 2.17 4.64 0.17 0.62 113.55 121.76 1rjj h SER 83 Ca -0.05 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1rjj h SER 83 Cb 1.43 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1rjj h SER 83 CO 0.15 0.69 0.23 0.00 -0.87 0.00 0.00 176.83 177.03 1rjj h ALA 84 N 1.14 0.64 -0.26 5.18 0.00 -1.42 -2.74 119.26 121.80 1rjj h ALA 84 Ca 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1rjj h ALA 84 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rjj h ALA 84 CO -0.03 0.21 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 1rjj h ALA 85 N 1.07 0.37 -1.68 0.00 0.00 -1.38 -2.37 119.26 115.26 1rjj h ALA 85 Ca 0.17 -0.34 0.49 0.00 0.00 0.00 0.00 54.91 55.23 1rjj h ALA 85 Cb 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1rjj h ALA 85 CO -0.02 0.28 1.21 0.74 0.00 0.00 0.00 179.25 181.46 1rjj h PHE 86 N 0.30 0.02 0.00 0.00 -1.00 0.55 0.49 116.94 117.30 1rjj h PHE 86 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1rjj h PHE 86 Cb 0.70 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1rjj h PHE 86 CO 0.07 -0.01 -0.07 1.15 -1.61 0.00 0.00 178.31 177.84 1rjj h THR 87 N 0.00 0.00 -0.81 -1.55 2.02 -1.30 -2.55 112.91 108.73 1rjj h THR 87 Ca 0.81 -0.58 0.23 0.00 0.77 0.00 0.00 66.41 67.64 1rjj h THR 87 Cb 3.22 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 1rjj h THR 87 CO -0.02 0.00 1.01 0.00 0.37 0.00 0.00 175.52 176.88 1rjj h ALA 88 N -1.42 2.68 -0.45 6.16 0.00 -0.55 1.69 119.26 127.37 1rjj h ALA 88 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rjj h ALA 88 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rjj h ALA 88 CO 0.00 -1.43 0.00 1.33 0.00 0.00 0.00 179.25 179.15 1rjj n VAL 89 N -3.29 0.96 -4.31 0.00 0.24 0.15 -4.98 118.33 107.10 1rjj n VAL 89 Ca 0.18 -0.98 -0.16 0.00 -2.04 0.00 0.00 64.34 61.33 1rjj n VAL 89 Cb 1.27 0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 34.07 1rjj n VAL 89 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rjj s ILE 90 N -1.01 1.04 -0.12 1.34 -1.09 0.57 -4.50 121.20 117.44 1rjj s ILE 90 Ca 0.31 -2.04 0.07 0.00 -2.23 0.00 0.00 60.65 56.76 1rjj s ILE 90 Cb 0.16 -2.23 -0.12 0.00 -1.58 0.00 0.00 42.46 38.69 1rjj s ILE 90 CO 0.21 -0.42 -0.02 -0.67 -1.23 0.00 0.00 174.94 172.82 1rjj n ASP 91 N -0.36 2.55 -3.79 3.58 2.03 0.87 -4.75 116.55 116.67 1rjj n ASP 91 Ca -0.06 -0.03 -0.13 0.00 0.52 0.00 0.00 54.79 55.10 1rjj n ASP 91 Cb 0.63 0.43 -0.10 0.00 -0.72 0.00 0.00 41.12 41.37 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1rjj s LYS 92 N -2.26 0.54 -0.10 -0.67 -2.85 -1.20 -4.98 119.74 108.21 1rjj s LYS 92 Ca -0.10 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.77 1rjj s LYS 92 Cb 0.04 0.24 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1rjj s LYS 92 CO 0.40 -0.13 -0.10 -1.50 0.10 0.00 0.00 175.35 174.12 1rjj s ILE 93 N -0.99 1.11 -0.06 3.79 1.10 -1.26 -3.51 121.20 121.38 1rjj s ILE 93 Ca -0.11 -0.39 0.03 0.00 -0.51 0.00 0.00 60.65 59.68 1rjj s ILE 93 Cb -0.05 -1.07 0.00 0.00 0.15 0.00 0.00 42.46 41.49 1rjj s ILE 93 CO 0.03 0.37 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.38 1rjj s VAL 94 N 1.29 1.35 -0.03 4.00 1.01 -0.84 -4.98 120.40 122.21 1rjj s VAL 94 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1rjj s VAL 94 Cb -0.14 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1rjj s VAL 94 CO -0.04 0.40 0.08 -0.76 0.00 0.00 0.00 175.10 174.78 1rjj s LEU 95 N 0.33 1.58 -0.20 3.92 1.02 -1.26 0.16 118.68 124.23 1rjj s LEU 95 Ca -0.10 0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 1rjj s LEU 95 Cb -0.14 0.24 0.01 0.00 0.02 0.00 0.00 46.19 46.32 1rjj s LEU 95 CO 0.03 -0.04 -0.12 -0.76 0.02 0.00 0.00 176.35 175.48 1rjj s LEU 96 N 0.22 2.55 -0.25 1.79 1.02 -0.75 -4.96 118.68 118.30 1rjj s LEU 96 Ca -0.01 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.50 1rjj s LEU 96 Cb -0.02 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.59 1rjj s LEU 96 CO -0.01 -0.03 -0.00 -0.62 0.02 0.00 0.00 176.35 175.71 1rjj s ASP 97 N 1.36 4.59 -0.02 2.29 2.15 -1.26 -2.94 116.67 122.85 1rjj s ASP 97 Ca 0.04 -0.57 -0.02 0.00 0.43 0.00 0.00 52.55 52.44 1rjj s ASP 97 Cb -0.14 -1.78 0.01 0.00 -0.30 0.00 0.00 42.92 40.72 1rjj s ASP 97 CO -0.08 -0.09 0.06 0.12 -0.17 0.00 0.00 175.17 175.00 1rjj s PHE 98 N 1.46 -0.05 0.16 -5.34 2.19 -1.01 -4.97 117.98 110.42 1rjj s PHE 98 Ca 0.04 0.16 -0.31 0.00 0.33 0.00 0.00 56.93 57.15 1rjj s PHE 98 Cb -0.16 -0.03 -0.11 0.00 -1.31 0.00 0.00 43.02 41.42 1rjj s PHE 98 CO -0.01 -0.05 1.74 -1.25 1.83 0.00 0.00 175.22 177.48 1rjj s PRO 99 N 0.28 4.14 -0.31 10.12 0.04 -1.26 -0.96 135.00 147.05 1rjj s PRO 99 Ca -0.02 2.56 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 1rjj s PRO 99 Cb -0.03 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1rjj s PRO 99 CO -0.01 -0.77 0.53 0.08 0.04 0.00 0.00 177.00 176.87 1rjj s VAL 100 N 1.88 5.02 -0.56 -0.36 1.01 0.57 -4.83 120.40 123.14 1rjj s VAL 100 Ca 0.77 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.32 1rjj s VAL 100 Cb -0.47 -3.92 0.15 0.00 0.00 0.00 0.00 36.38 32.14 1rjj s VAL 100 CO 0.34 -0.09 0.40 0.00 0.00 0.00 0.00 175.10 175.75 1rjj s ALA 101 N 2.41 3.50 -0.40 5.51 0.00 -1.26 0.07 121.76 131.58 1rjj s ALA 101 Ca 0.21 -2.90 -0.26 0.00 0.00 0.00 0.00 51.96 49.01 1rjj s ALA 101 Cb -0.15 -2.77 -0.26 0.00 0.00 0.00 0.00 23.12 19.94 1rjj s ALA 101 CO 0.12 -2.00 1.76 0.00 0.00 0.00 0.00 175.76 175.63 1rjj n ALA 102 N 4.21 2.13 -3.29 0.00 0.00 -1.26 -4.61 120.51 117.68 1rjj n ALA 102 Ca 0.02 -2.96 -0.09 0.00 0.00 0.00 0.00 53.44 50.41 1rjj n ALA 102 Cb 0.40 -3.67 -0.05 0.00 0.00 0.00 0.00 19.45 16.14 1rjj n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rjj s VAL 103 N 5.92 -0.63 0.00 0.00 -7.23 -1.26 -5.10 120.40 112.10 1rjj s VAL 103 Ca 0.62 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1rjj s VAL 103 Cb 0.14 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1rjj s VAL 103 CO 0.22 -0.30 0.00 2.29 -0.31 0.00 0.00 175.10 177.00 1rjj n LYS 104 N 4.84 0.00 0.00 4.82 2.85 -1.26 -5.00 118.16 124.41 1rjj n LYS 104 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1rjj n LYS 104 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1rjj n SER 105 N 0.00 0.00 -3.59 -5.58 7.64 -1.26 -3.85 113.62 106.98 1rjj n SER 105 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1rjj n SER 105 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1rjj n SER 105 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rjj n SER 106 N 1.27 4.26 -0.00 6.43 7.64 -1.26 -4.69 113.62 127.26 1rjj n SER 106 Ca 0.00 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1rjj n SER 106 Cb 0.00 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1rjj n SER 106 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1rjj n VAL 107 N 1.06 0.00 -2.66 0.44 3.14 -1.25 -4.84 118.33 114.22 1rjj n VAL 107 Ca 0.28 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 61.13 1rjj n VAL 107 Cb 0.39 1.00 0.03 0.00 -1.06 0.00 0.00 33.84 34.20 1rjj n VAL 107 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1rjj n VAL 108 N -0.49 0.00 -0.28 1.55 3.14 -1.26 -5.14 118.33 115.85 1rjj n VAL 108 Ca 0.00 -0.67 -0.17 0.00 -2.96 0.00 0.00 64.34 60.54 1rjj n VAL 108 Cb 0.00 0.77 0.16 0.00 -1.06 0.00 0.00 33.84 33.71 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj n ALA 109 N -0.16 -2.87 -3.25 1.55 0.00 -1.26 -4.96 120.51 109.56 1rjj n ALA 109 Ca -0.19 -0.84 -0.25 0.00 0.00 0.00 0.00 53.44 52.16 1rjj n ALA 109 Cb 0.69 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 1rjj n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjj n THR 110 N -4.48 0.16 1.98 0.00 -2.24 -1.26 -5.20 114.28 103.23 1rjj n THR 110 Ca 0.08 -4.36 0.16 0.00 -2.27 0.00 0.00 64.05 57.66 1rjj n THR 110 Cb 0.33 -1.96 0.94 0.00 -2.10 0.00 0.00 70.33 67.54 1rjj n THR 110 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69