#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2arj s PRO 5 N 0.00 4.34 -0.01 0.00 0.04 -1.26 -4.84 135.00 133.26 2arj s PRO 5 Ca 0.00 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.31 2arj s PRO 5 Cb 0.00 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2arj s PRO 5 CO 0.00 -0.26 -0.20 -1.83 0.04 0.00 0.00 177.00 174.75 2arj s GLU 6 N -1.12 1.58 -0.14 4.56 1.03 -1.25 -5.00 118.70 118.35 2arj s GLU 6 Ca 0.53 -0.74 -0.05 0.00 0.03 0.00 0.00 54.97 54.74 2arj s GLU 6 Cb -0.40 -1.55 -0.04 0.00 -0.80 0.00 0.00 34.13 31.35 2arj s GLU 6 CO 0.48 0.42 0.05 -0.51 -1.33 0.00 0.00 175.26 174.36 2arj s LEU 7 N -0.55 3.79 -0.29 1.83 1.43 -1.26 -1.86 118.68 121.77 2arj s LEU 7 Ca 0.08 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2arj s LEU 7 Cb -0.08 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2arj s LEU 7 CO -0.00 0.28 0.01 -0.13 0.23 0.00 0.00 176.35 176.74 2arj s ARG 8 N -0.29 2.76 0.28 1.70 1.81 -0.44 -4.55 118.95 120.22 2arj s ARG 8 Ca 0.08 -1.05 -0.22 0.00 -1.72 0.00 0.00 55.73 52.82 2arj s ARG 8 Cb -0.12 -3.20 -0.09 0.00 -0.45 0.00 0.00 34.95 31.09 2arj s ARG 8 CO 0.02 -0.50 0.82 0.96 -0.68 0.00 0.00 175.30 175.91 2arj s ILE 9 N 1.36 4.44 -0.00 1.52 -5.25 -1.26 -0.70 121.20 121.31 2arj s ILE 9 Ca -0.01 1.46 0.01 0.00 -0.99 0.00 0.00 60.65 61.12 2arj s ILE 9 Cb -0.18 -3.88 0.00 0.00 2.95 0.00 0.00 42.46 41.36 2arj s ILE 9 CO -0.01 0.12 -0.01 0.12 -1.79 0.00 0.00 174.94 173.37 2arj s PHE 10 N -1.63 0.17 0.00 1.37 5.36 0.11 -4.62 117.98 118.73 2arj s PHE 10 Ca 0.48 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 2arj s PHE 10 Cb -0.16 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.38 2arj s PHE 10 CO 0.21 -0.02 0.00 -0.35 -1.46 0.00 0.00 175.22 173.60 2arj n PRO 11 N 3.18 0.76 0.06 10.12 -0.04 -1.26 -0.96 135.00 146.87 2arj n PRO 11 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 2arj n PRO 11 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 2arj n PRO 11 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2arj h LYS 12 N 0.00 0.13 -3.27 0.54 3.64 -1.96 -3.47 116.57 112.19 2arj h LYS 12 Ca 0.00 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2arj h LYS 12 Cb 0.00 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.80 2arj h LYS 12 CO 0.00 1.03 0.04 -1.59 -2.27 0.00 0.00 179.45 176.66 2arj s LYS 13 N -2.66 1.34 -0.22 1.90 -2.85 -1.26 -4.41 119.74 111.57 2arj s LYS 13 Ca -0.03 -0.80 -0.03 0.00 -1.00 0.00 0.00 55.97 54.10 2arj s LYS 13 Cb 0.08 0.52 0.11 0.00 -2.06 0.00 0.00 37.83 36.49 2arj s LYS 13 CO 0.85 -0.57 0.28 1.41 0.10 0.00 0.00 175.35 177.42 2arj s MET 14 N -3.85 0.26 -0.84 1.78 1.75 -0.56 -4.99 119.30 112.84 2arj s MET 14 Ca 0.08 0.29 -0.21 0.00 -1.25 0.00 0.00 55.69 54.59 2arj s MET 14 Cb -0.01 -0.92 0.09 0.00 2.84 0.00 0.00 34.83 36.83 2arj s MET 14 CO -0.05 -0.68 1.14 -0.51 -0.65 0.00 0.00 175.02 174.27 2arj s ASP 15 N 2.41 6.43 -0.09 1.11 -0.00 -1.26 -1.34 116.67 123.92 2arj s ASP 15 Ca 0.09 -1.50 -0.17 0.00 -0.00 0.00 0.00 52.55 50.98 2arj s ASP 15 Cb -0.15 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.92 40.27 2arj s ASP 15 CO -0.15 -1.31 0.43 0.00 -0.00 0.00 0.00 175.17 174.14 2arj s ALA 16 N 3.73 3.55 0.54 5.23 0.00 -0.50 -4.42 121.76 129.89 2arj s ALA 16 Ca 0.32 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 2arj s ALA 16 Cb -0.08 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 2arj s ALA 16 CO -0.02 0.15 1.09 -1.21 0.00 0.00 0.00 175.76 175.77 2arj s GLU 17 N 0.13 3.42 0.00 0.00 0.41 -1.26 0.56 118.70 121.96 2arj s GLU 17 Ca 0.24 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 55.97 2arj s GLU 17 Cb -0.15 -2.03 -0.07 0.00 -1.78 0.00 0.00 34.13 30.10 2arj s GLU 17 CO 0.10 -0.77 1.62 -0.51 -0.49 0.00 0.00 175.26 175.21 2arj s LEU 18 N -3.89 4.34 0.00 1.80 1.43 -1.26 -2.62 118.68 118.47 2arj s LEU 18 Ca 0.70 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 2arj s LEU 18 Cb -0.21 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2arj s LEU 18 CO 0.27 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2arj n GLY 19 N 4.01 1.41 3.75 -3.19 0.00 -0.69 -4.92 105.19 105.55 2arj n GLY 19 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2arj n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2arj s GLN 20 N -0.96 2.85 -0.25 1.61 0.74 -1.08 -4.11 119.66 118.46 2arj s GLN 20 Ca 0.00 1.74 -0.12 0.00 0.05 0.00 0.00 55.36 57.03 2arj s GLN 20 Cb 0.00 -1.92 -0.05 0.00 1.10 0.00 0.00 33.01 32.14 2arj s GLN 20 CO 0.00 -1.28 0.21 0.21 -0.55 0.00 0.00 175.29 173.88 2arj s LYS 21 N -3.52 4.05 -0.19 1.67 2.20 -1.26 -0.68 119.74 122.01 2arj s LYS 21 Ca 0.75 -0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 56.13 2arj s LYS 21 Cb -0.28 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2arj s LYS 21 CO 0.36 -0.04 -0.08 0.08 -0.36 0.00 0.00 175.35 175.31 2arj s VAL 22 N 1.35 3.25 -0.10 4.02 1.01 -0.64 -4.97 120.40 124.32 2arj s VAL 22 Ca 0.09 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2arj s VAL 22 Cb -0.14 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2arj s VAL 22 CO 0.07 0.46 0.41 -1.81 0.00 0.00 0.00 175.10 174.24 2arj s ASP 23 N 1.07 6.66 -0.04 3.32 -0.00 -1.26 0.22 116.67 126.64 2arj s ASP 23 Ca 0.00 0.78 0.06 0.00 -0.00 0.00 0.00 52.55 53.39 2arj s ASP 23 Cb -0.15 -2.25 -0.02 0.00 -0.00 0.00 0.00 42.92 40.50 2arj s ASP 23 CO -0.01 0.11 -0.22 -0.76 -0.00 0.00 0.00 175.17 174.29 2arj s LEU 24 N 0.14 2.26 0.02 1.23 1.43 0.45 -4.69 118.68 119.53 2arj s LEU 24 Ca 0.23 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2arj s LEU 24 Cb -0.15 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2arj s LEU 24 CO 0.09 0.30 -0.11 0.54 0.23 0.00 0.00 176.35 177.41 2arj s VAL 25 N -0.51 0.87 -0.13 -1.59 0.11 -0.13 0.97 120.40 119.99 2arj s VAL 25 Ca 0.07 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 2arj s VAL 25 Cb -0.11 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2arj s VAL 25 CO 0.01 0.02 0.05 0.00 -3.33 0.00 0.00 175.10 171.84 2arj s GLU 27 N 2.03 4.24 -0.39 0.00 2.12 0.12 -1.80 118.70 125.02 2arj s GLU 27 Ca 0.02 0.50 -0.13 0.00 0.36 0.00 0.00 54.97 55.72 2arj s GLU 27 Cb -0.15 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.73 2arj s GLU 27 CO -0.07 -0.11 0.24 0.08 -0.54 0.00 0.00 175.26 174.87 2arj s VAL 28 N 1.48 4.85 0.60 3.70 1.01 0.36 -1.33 120.40 131.08 2arj s VAL 28 Ca 0.26 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2arj s VAL 28 Cb -0.16 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.62 2arj s VAL 28 CO 0.10 -0.27 0.83 -0.76 0.00 0.00 0.00 175.10 175.01 2arj s LEU 29 N 1.60 3.03 0.00 3.92 1.43 -0.78 -4.78 118.68 123.11 2arj s LEU 29 Ca 0.03 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2arj s LEU 29 Cb -0.19 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2arj s LEU 29 CO 0.08 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 175.82 2arj n GLY 30 N -2.33 1.26 0.00 -3.19 0.00 -1.26 -3.95 105.19 95.71 2arj n GLY 30 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2arj n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2arj n SER 31 N 4.27 0.00 -0.06 1.61 3.41 -1.26 -5.08 113.62 116.50 2arj n SER 31 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2arj n SER 31 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2arj n SER 31 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2arj h VAL 32 N 0.00 0.43 -3.73 -3.33 2.07 -1.94 -3.50 116.25 106.24 2arj h VAL 32 Ca 0.00 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2arj h VAL 32 Cb 0.00 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2arj h VAL 32 CO 0.00 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.19 2arj n SER 33 N -4.70 0.60 -0.50 0.57 3.41 -1.26 -5.01 113.62 106.73 2arj n SER 33 Ca -0.05 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2arj n SER 33 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2arj n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2arj n GLN 34 N -0.51 3.69 0.00 4.33 1.13 -1.26 -4.94 117.38 119.82 2arj n GLN 34 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2arj n GLN 34 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2arj n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2arj n GLY 35 N 4.24 -2.60 2.92 1.08 0.00 -1.25 -4.36 105.19 105.22 2arj n GLY 35 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 2arj n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2arj s SER 37 N 0.32 5.71 -0.14 0.00 0.01 0.09 -1.44 113.70 118.25 2arj s SER 37 Ca -0.04 0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 2arj s SER 37 Cb -0.07 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 2arj s SER 37 CO -0.00 0.19 0.19 0.26 0.41 0.00 0.00 173.24 174.29 2arj s TRP 38 N 0.25 3.53 0.12 2.43 0.52 0.87 0.60 118.94 127.26 2arj s TRP 38 Ca 0.04 0.52 0.06 0.00 0.02 0.00 0.00 56.10 56.75 2arj s TRP 38 Cb -0.12 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2arj s TRP 38 CO 0.00 0.50 -0.15 -0.51 0.02 0.00 0.00 176.95 176.81 2arj s LEU 39 N -0.33 2.38 0.00 2.99 1.43 0.12 -1.47 118.68 123.80 2arj s LEU 39 Ca 0.14 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2arj s LEU 39 Cb -0.12 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 2arj s LEU 39 CO 0.03 -0.11 -0.01 0.12 0.23 0.00 0.00 176.35 176.61 2arj s PHE 40 N -1.94 0.09 -0.36 0.29 5.36 0.94 -1.88 117.98 120.48 2arj s PHE 40 Ca 0.08 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.99 2arj s PHE 40 Cb -0.06 -0.06 0.10 0.00 -0.34 0.00 0.00 43.02 42.66 2arj s PHE 40 CO 0.03 -0.03 0.09 -1.14 -1.46 0.00 0.00 175.22 172.72 2arj s GLN 41 N -0.22 1.63 0.14 10.12 0.74 0.95 0.29 119.66 133.31 2arj s GLN 41 Ca -0.02 -1.86 -0.34 0.00 0.05 0.00 0.00 55.36 53.18 2arj s GLN 41 Cb -0.02 -3.32 -0.16 0.00 1.10 0.00 0.00 33.01 30.62 2arj s GLN 41 CO -0.00 -0.98 1.34 -1.71 -0.55 0.00 0.00 175.29 173.39 2arj n ASN 42 N 4.35 1.95 0.02 6.67 2.85 -1.26 -1.83 115.26 128.01 2arj n ASN 42 Ca 0.02 1.12 0.06 0.00 -0.11 0.00 0.00 54.58 55.67 2arj n ASN 42 Cb 0.42 -1.27 0.26 0.00 1.24 0.00 0.00 39.78 40.43 2arj n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2arj n SER 43 N 2.50 0.09 0.17 1.20 7.64 -0.79 -2.31 113.62 122.11 2arj n SER 43 Ca 0.16 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.70 2arj n SER 43 Cb 0.24 -0.54 0.58 0.00 -1.01 0.00 0.00 64.21 63.47 2arj n SER 43 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2arj h SER 44 N 0.00 0.00 -3.64 6.43 0.02 -1.89 -3.42 113.55 111.05 2arj h SER 44 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 2arj h SER 44 Cb 0.18 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.43 2arj h SER 44 CO 0.00 0.00 -0.65 -0.94 -1.14 0.00 0.00 176.83 174.10 2arj s SER 45 N -4.54 5.03 0.61 3.07 1.04 -0.98 -4.98 113.70 112.96 2arj s SER 45 Ca 0.02 -0.99 0.32 0.00 0.48 0.00 0.00 55.95 55.78 2arj s SER 45 Cb 0.09 -1.82 1.81 0.00 0.10 0.00 0.00 66.02 66.20 2arj s SER 45 CO 0.39 -0.24 2.14 0.11 0.98 0.00 0.00 173.24 176.62 2arj h LYS 46 N 8.16 0.00 -5.23 4.02 6.56 -1.88 -3.40 116.57 124.80 2arj h LYS 46 Ca -0.27 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.67 2arj h LYS 46 Cb 1.10 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.49 2arj h LYS 46 CO 0.59 0.00 -0.74 -0.51 -2.06 0.00 0.00 179.45 176.73 2arj s LEU 47 N -7.12 2.86 -0.96 2.94 1.43 -1.26 -5.02 118.68 111.55 2arj s LEU 47 Ca -0.05 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 2arj s LEU 47 Cb 0.14 -1.68 -0.21 0.00 0.03 0.00 0.00 46.19 44.47 2arj s LEU 47 CO 0.49 0.11 2.03 -0.81 0.23 0.00 0.00 176.35 178.40 2arj n PRO 48 N 3.88 0.11 -3.32 1.29 -0.04 -1.26 -4.86 135.00 130.79 2arj n PRO 48 Ca -0.18 -1.46 -0.46 0.00 -0.04 0.00 0.00 63.50 61.36 2arj n PRO 48 Cb 0.52 -3.61 -0.05 0.00 -0.04 0.00 0.00 33.50 30.32 2arj n PRO 48 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2arj s GLN 49 N 8.22 3.07 0.11 0.54 2.00 -1.26 -5.05 119.66 127.30 2arj s GLN 49 Ca 0.75 -1.84 -0.31 0.00 -2.00 0.00 0.00 55.36 51.96 2arj s GLN 49 Cb -0.06 -4.31 -0.09 0.00 0.80 0.00 0.00 33.01 29.36 2arj s GLN 49 CO 0.17 -1.32 1.59 -1.25 -0.50 0.00 0.00 175.29 173.97 2arj s PRO 50 N 1.35 4.22 -0.03 1.67 0.04 -1.26 -4.54 135.00 136.45 2arj s PRO 50 Ca 0.06 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2arj s PRO 50 Cb -0.27 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2arj s PRO 50 CO 0.01 -0.65 -0.02 0.95 0.04 0.00 0.00 177.00 177.33 2arj s THR 51 N 1.84 4.03 0.46 1.26 -4.23 0.15 -4.96 115.64 114.18 2arj s THR 51 Ca 0.71 -0.55 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 2arj s THR 51 Cb -0.41 -2.75 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 2arj s THR 51 CO 0.31 0.46 1.02 0.12 -0.54 0.00 0.00 174.62 175.99 2arj s PHE 52 N -0.99 3.09 0.11 3.99 5.36 -1.26 -0.04 117.98 128.23 2arj s PHE 52 Ca 0.17 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 2arj s PHE 52 Cb -0.11 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 2arj s PHE 52 CO 0.07 -0.67 0.00 0.28 -1.46 0.00 0.00 175.22 173.43 2arj n VAL 53 N -0.79 1.13 -3.51 3.12 0.31 -0.54 -4.82 118.33 113.22 2arj n VAL 53 Ca 0.08 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.65 2arj n VAL 53 Cb 0.52 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.91 2arj n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2arj s VAL 54 N -1.99 0.02 -0.10 2.52 0.11 -1.16 -3.61 120.40 116.19 2arj s VAL 54 Ca 0.00 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2arj s VAL 54 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2arj s VAL 54 CO 0.00 -0.07 -0.15 -0.47 -3.33 0.00 0.00 175.10 171.08 2arj s TYR 55 N -2.73 1.85 -0.16 1.54 5.04 -0.61 -0.09 117.35 122.19 2arj s TYR 55 Ca -0.04 -0.82 -0.05 0.00 -2.44 0.00 0.00 57.07 53.72 2arj s TYR 55 Cb -0.00 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 2arj s TYR 55 CO -0.04 -0.42 0.02 -1.64 -1.34 0.00 0.00 175.55 172.14 2arj s MET 56 N 0.88 3.75 0.48 4.97 -1.94 -0.52 -0.56 119.30 126.36 2arj s MET 56 Ca -0.09 -0.40 -0.22 0.00 -1.71 0.00 0.00 55.69 53.26 2arj s MET 56 Cb -0.15 -3.06 -0.07 0.00 2.01 0.00 0.00 34.83 33.56 2arj s MET 56 CO 0.01 0.33 1.19 0.00 -0.01 0.00 0.00 175.02 176.53 2arj s ALA 57 N 0.18 2.91 0.01 3.03 0.00 -0.90 -0.43 121.76 126.57 2arj s ALA 57 Ca 0.02 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 2arj s ALA 57 Cb -0.13 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 2arj s ALA 57 CO 0.01 -0.77 1.29 0.66 0.00 0.00 0.00 175.76 176.96 2arj h SER 58 N 1.86 0.27 0.00 0.00 4.64 -1.87 -3.42 113.55 115.03 2arj h SER 58 Ca -0.50 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 2arj h SER 58 Cb 1.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2arj h SER 58 CO 0.59 0.72 0.00 -1.54 -0.87 0.00 0.00 176.83 175.74 2arj n SER 59 N -4.63 0.00 -4.82 4.97 3.41 -1.26 -4.83 113.62 106.46 2arj n SER 59 Ca -0.07 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.79 2arj n SER 59 Cb 0.35 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 2arj n SER 59 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2arj s HIS 60 N -0.95 3.11 -0.36 7.33 3.76 -1.26 -5.03 115.29 121.88 2arj s HIS 60 Ca 0.00 -0.11 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2arj s HIS 60 Cb 0.00 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 2arj s HIS 60 CO 0.00 0.52 1.88 -0.80 -0.85 0.00 0.00 174.74 175.49 2arj s ASN 61 N -3.84 5.71 -0.32 1.40 0.01 -1.26 -4.40 114.94 112.24 2arj s ASN 61 Ca 0.33 1.24 0.01 0.00 -0.71 0.00 0.00 52.86 53.73 2arj s ASN 61 Cb -0.08 -2.52 0.19 0.00 0.41 0.00 0.00 41.25 39.25 2arj s ASN 61 CO 0.25 -1.87 0.75 -0.75 -1.51 0.00 0.00 177.10 173.97 2arj s LYS 62 N 6.01 0.49 0.48 -0.60 2.36 -1.26 -5.05 119.74 122.17 2arj s LYS 62 Ca 0.81 0.21 0.02 0.00 -2.55 0.00 0.00 55.97 54.46 2arj s LYS 62 Cb -0.22 0.15 0.01 0.00 -1.05 0.00 0.00 37.83 36.72 2arj s LYS 62 CO 0.32 -0.83 0.68 0.96 1.55 0.00 0.00 175.35 178.03 2arj s ILE 63 N 2.54 3.41 -0.05 5.43 -0.00 -1.26 -2.12 121.20 129.15 2arj s ILE 63 Ca 0.16 -0.65 -0.02 0.00 -0.00 0.00 0.00 60.65 60.14 2arj s ILE 63 Cb -0.05 -3.25 0.03 0.00 -0.00 0.00 0.00 42.46 39.18 2arj s ILE 63 CO -0.20 -0.16 0.04 -0.89 -0.00 0.00 0.00 174.94 173.73 2arj s THR 64 N -2.58 0.08 -0.14 8.37 2.01 0.28 -4.96 115.64 118.70 2arj s THR 64 Ca 0.52 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 2arj s THR 64 Cb -0.10 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2arj s THR 64 CO 0.37 0.21 0.01 0.26 -0.69 0.00 0.00 174.62 174.78 2arj s TRP 65 N 2.09 3.14 0.49 4.92 0.52 -1.26 -1.57 118.94 127.28 2arj s TRP 65 Ca 0.05 -0.03 -0.23 0.00 0.02 0.00 0.00 56.10 55.91 2arj s TRP 65 Cb -0.12 -1.95 -0.07 0.00 -1.15 0.00 0.00 33.47 30.19 2arj s TRP 65 CO -0.04 0.18 1.31 0.16 0.02 0.00 0.00 176.95 178.59 2arj s ASP 66 N -0.02 5.74 0.07 2.95 -4.77 -1.24 -4.95 116.67 114.46 2arj s ASP 66 Ca 0.03 2.66 -0.27 0.00 -3.30 0.00 0.00 52.55 51.68 2arj s ASP 66 Cb -0.13 -2.63 -0.17 0.00 -1.09 0.00 0.00 42.92 38.90 2arj s ASP 66 CO 0.02 -1.24 1.65 -0.08 0.70 0.00 0.00 175.17 176.22 2arj h GLU 67 N 1.93 -0.34 -2.42 2.11 4.81 -1.99 -3.51 114.58 115.17 2arj h GLU 67 Ca -0.50 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2arj h GLU 67 Cb 1.27 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.73 2arj h GLU 67 CO 0.59 -0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.30 2arj n LYS 68 N -5.23 0.00 0.00 1.92 5.02 -1.26 -5.25 118.16 113.36 2arj n LYS 68 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2arj n LYS 68 Cb 0.17 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2arj n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2arj n LYS 73 N 1.21 0.00 -0.34 1.97 4.76 -1.26 -5.25 118.16 119.25 2arj n LYS 73 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 2arj n LYS 73 Cb 0.00 0.00 0.29 0.00 -1.84 0.00 0.00 35.03 33.48 2arj n LYS 73 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 2arj h LEU 74 N 0.00 0.77-10.15 -0.35 -0.00 -1.98 -3.44 115.31 100.16 2arj h LEU 74 Ca 0.00 0.09 -0.48 0.00 -0.00 0.00 0.00 57.88 57.49 2arj h LEU 74 Cb 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 2arj h LEU 74 CO 0.00 0.31 -0.40 -0.36 -0.00 0.00 0.00 178.44 177.99 2arj s PHE 75 N -5.90 2.91 -0.17 0.17 0.08 -1.26 0.38 117.98 114.19 2arj s PHE 75 Ca -0.12 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.33 2arj s PHE 75 Cb 0.24 -1.94 0.08 0.00 -0.57 0.00 0.00 43.02 40.83 2arj s PHE 75 CO 0.80 0.05 0.77 0.45 -0.10 0.00 0.00 175.22 177.18 2arj s SER 76 N -4.08 -0.64 -0.07 1.36 0.15 -0.55 -4.85 113.70 105.02 2arj s SER 76 Ca 0.44 0.97 -0.12 0.00 0.70 0.00 0.00 55.95 57.94 2arj s SER 76 Cb -0.06 0.90 0.03 0.00 -1.71 0.00 0.00 66.02 65.17 2arj s SER 76 CO 0.28 -0.40 0.30 0.00 1.20 0.00 0.00 173.24 174.63 2arj s ALA 77 N -0.45 -0.76 0.05 5.45 0.00 -1.26 -0.22 121.76 124.57 2arj s ALA 77 Ca -0.04 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 2arj s ALA 77 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2arj s ALA 77 CO 0.04 -0.19 0.20 0.00 0.00 0.00 0.00 175.76 175.81 2arj s MET 78 N -0.48 0.74 -0.77 0.00 0.23 -0.87 -5.03 119.30 113.12 2arj s MET 78 Ca -0.06 -0.70 -0.17 0.00 -1.03 0.00 0.00 55.69 53.73 2arj s MET 78 Cb -0.04 0.31 0.16 0.00 -1.53 0.00 0.00 34.83 33.73 2arj s MET 78 CO 0.02 -0.22 0.83 0.50 -2.03 0.00 0.00 175.02 174.12 2arj s ARG 79 N -2.89 3.41 1.11 3.16 3.52 -1.26 -0.82 118.95 125.17 2arj s ARG 79 Ca -0.03 -1.92 -0.20 0.00 -0.13 0.00 0.00 55.73 53.46 2arj s ARG 79 Cb 0.00 -4.51 0.08 0.00 -1.56 0.00 0.00 34.95 28.97 2arj s ARG 79 CO -0.06 -1.49 -0.16 -0.25 -0.81 0.00 0.00 175.30 172.53 2arj n ASP 80 N 5.39 -2.47 0.00 -2.12 9.92 -0.93 -4.93 116.55 121.41 2arj n ASP 80 Ca 0.08 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2arj n ASP 80 Cb 0.46 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2arj n ASP 80 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2arj n THR 81 N -4.36 0.00 -4.04 -3.53 -2.24 -1.26 -4.38 114.28 94.46 2arj n THR 81 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 2arj n THR 81 Cb 0.63 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 2arj n THR 81 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2arj s ASN 82 N -2.00 4.30 0.00 3.42 3.84 -1.26 -4.52 114.94 118.72 2arj s ASN 82 Ca 0.00 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 51.86 2arj s ASN 82 Cb 0.00 -1.57 0.00 0.00 -0.55 0.00 0.00 41.25 39.13 2arj s ASN 82 CO 0.00 -0.16 0.00 0.59 -2.79 0.00 0.00 177.10 174.74 2arj n ASN 83 N 4.51 0.00 -4.39 -4.21 3.02 -1.26 -4.96 115.26 107.97 2arj n ASN 83 Ca -0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.97 2arj n ASN 83 Cb 0.44 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 2arj n ASN 83 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2arj s LYS 84 N -0.86 2.90 -0.34 3.52 1.02 -1.26 -0.49 119.74 124.24 2arj s LYS 84 Ca 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2arj s LYS 84 Cb 0.00 -3.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2arj s LYS 84 CO 0.00 -0.90 0.23 0.71 -0.92 0.00 0.00 175.35 174.47 2arj s TYR 85 N 1.61 3.22 -0.14 3.18 1.51 -0.74 -2.18 117.35 123.80 2arj s TYR 85 Ca 0.04 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 2arj s TYR 85 Cb -0.22 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 2arj s TYR 85 CO 0.07 -0.38 0.28 0.08 -1.11 0.00 0.00 175.55 174.49 2arj s VAL 86 N 1.70 5.30 -0.12 0.71 1.01 -0.00 -1.39 120.40 127.61 2arj s VAL 86 Ca 0.06 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2arj s VAL 86 Cb -0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2arj s VAL 86 CO 0.10 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.24 2arj s LEU 87 N 0.14 2.45 -0.09 3.92 2.96 0.27 -2.04 118.68 126.30 2arj s LEU 87 Ca 0.17 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2arj s LEU 87 Cb -0.13 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.03 2arj s LEU 87 CO 0.05 0.16 -0.22 0.42 -1.32 0.00 0.00 176.35 175.44 2arj s THR 88 N 0.38 1.86 -0.16 3.68 -4.23 0.69 0.17 115.64 118.02 2arj s THR 88 Ca -0.14 -0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 2arj s THR 88 Cb -0.17 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 2arj s THR 88 CO 0.06 0.52 0.58 -0.76 -0.54 0.00 0.00 174.62 174.48 2arj s LEU 89 N 0.32 4.19 -0.02 4.79 1.43 0.13 -1.48 118.68 128.05 2arj s LEU 89 Ca -0.16 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 53.55 2arj s LEU 89 Cb -0.17 -2.83 -0.21 0.00 0.03 0.00 0.00 46.19 43.01 2arj s LEU 89 CO 0.07 -0.17 1.12 0.78 0.23 0.00 0.00 176.35 178.38 2arj h ASN 90 N 7.23 0.28 -3.28 2.29 -0.26 -0.36 -1.70 115.58 119.77 2arj h ASN 90 Ca -0.35 -0.69 -0.49 0.00 -0.56 0.00 0.00 56.30 54.20 2arj h ASN 90 Cb 1.16 -0.08 -0.36 0.00 -1.06 0.00 0.00 38.32 37.98 2arj h ASN 90 CO 0.76 0.93 -0.80 -0.54 -1.06 0.00 0.00 177.43 176.72 2arj s LYS 91 N -3.47 1.34 0.25 0.81 1.02 -1.26 -4.01 119.74 114.42 2arj s LYS 91 Ca -0.15 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 2arj s LYS 91 Cb 0.02 -1.35 -0.09 0.00 -0.52 0.00 0.00 37.83 35.89 2arj s LYS 91 CO 0.75 -0.18 1.09 0.12 -0.92 0.00 0.00 175.35 176.21 2arj s PHE 92 N 1.39 3.61 0.38 3.18 5.36 0.15 -4.84 117.98 127.21 2arj s PHE 92 Ca -0.02 1.69 -0.14 0.00 -0.96 0.00 0.00 56.93 57.50 2arj s PHE 92 Cb -0.13 -3.26 0.05 0.00 -0.34 0.00 0.00 43.02 39.33 2arj s PHE 92 CO -0.04 -0.49 0.76 -1.54 -1.46 0.00 0.00 175.22 172.45 2arj s SER 93 N -0.71 0.11 0.62 6.13 1.04 -1.26 -1.70 113.70 117.91 2arj s SER 93 Ca 0.45 -1.19 0.32 0.00 0.48 0.00 0.00 55.95 56.02 2arj s SER 93 Cb -0.31 0.83 1.83 0.00 0.10 0.00 0.00 66.02 68.48 2arj s SER 93 CO 0.39 -1.65 2.15 0.07 0.98 0.00 0.00 173.24 175.18 2arj h LYS 94 N 2.01 0.00 0.07 4.02 -0.00 -1.95 -2.69 116.57 118.03 2arj h LYS 94 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.33 2arj h LYS 94 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2arj h LYS 94 CO 0.40 0.00 -0.03 0.93 -0.00 0.00 0.00 179.45 180.75 2arj h GLU 95 N 0.00 -0.09 -0.53 0.07 5.08 -1.97 -3.14 114.58 114.01 2arj h GLU 95 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2arj h GLU 95 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2arj h GLU 95 CO -0.00 0.13 0.00 0.27 -1.00 0.00 0.00 179.01 178.41 2arj n ASN 96 N -5.04 2.81 -4.66 1.42 2.04 -1.12 -4.91 115.26 105.81 2arj n ASN 96 Ca -0.08 -2.00 -0.43 0.00 -0.44 0.00 0.00 54.58 51.63 2arj n ASN 96 Cb 0.15 -0.35 -0.02 0.00 -2.53 0.00 0.00 39.78 37.02 2arj n ASN 96 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2arj s GLU 97 N -1.31 4.16 0.00 -3.83 -6.30 -1.03 -4.83 118.70 105.57 2arj s GLU 97 Ca 0.35 1.81 0.00 0.00 -2.50 0.00 0.00 54.97 54.63 2arj s GLU 97 Cb 0.18 -3.86 0.00 0.00 0.00 0.00 0.00 34.13 30.45 2arj s GLU 97 CO 0.24 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2arj n GLY 98 N 3.90 -0.53 3.35 -1.50 0.00 -0.76 -1.89 105.19 107.76 2arj n GLY 98 Ca 0.15 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2arj n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2arj s TYR 99 N -3.99 2.77 0.19 1.61 1.51 -0.76 -0.37 117.35 118.31 2arj s TYR 99 Ca 0.00 -0.70 0.09 0.00 -1.01 0.00 0.00 57.07 55.46 2arj s TYR 99 Cb 0.00 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2arj s TYR 99 CO 0.00 -0.24 -0.11 0.71 -1.11 0.00 0.00 175.55 174.81 2arj s TYR 100 N 0.33 2.59 -0.18 2.71 1.51 -0.18 -0.04 117.35 124.10 2arj s TYR 100 Ca -0.12 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2arj s TYR 100 Cb -0.16 -1.25 0.13 0.00 -0.11 0.00 0.00 41.96 40.57 2arj s TYR 100 CO 0.06 0.53 1.02 -0.59 -1.11 0.00 0.00 175.55 175.46 2arj s PHE 101 N -1.78 -0.36 0.33 2.71 -0.71 -0.79 0.20 117.98 117.58 2arj s PHE 101 Ca 0.25 0.64 0.03 0.00 -1.04 0.00 0.00 56.93 56.81 2arj s PHE 101 Cb -0.08 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2arj s PHE 101 CO 0.15 -0.32 0.50 0.00 -1.34 0.00 0.00 175.22 174.21 2arj s SER 103 N -4.07 0.10 0.06 0.00 0.15 0.20 -2.08 113.70 108.06 2arj s SER 103 Ca 0.40 -0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 2arj s SER 103 Cb -0.09 0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2arj s SER 103 CO 0.34 -0.44 0.17 -0.69 1.20 0.00 0.00 173.24 173.81 2arj s VAL 104 N -1.99 0.14 -0.26 4.45 1.01 -0.53 -0.73 120.40 122.48 2arj s VAL 104 Ca -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2arj s VAL 104 Cb -0.05 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.26 2arj s VAL 104 CO -0.01 -0.61 0.08 0.27 0.00 0.00 0.00 175.10 174.82 2arj s ILE 105 N -3.30 0.63 -0.07 2.22 -5.25 -1.26 0.16 121.20 114.32 2arj s ILE 105 Ca 0.01 -1.00 0.04 0.00 -0.99 0.00 0.00 60.65 58.70 2arj s ILE 105 Cb 0.02 -1.34 -0.02 0.00 2.95 0.00 0.00 42.46 44.07 2arj s ILE 105 CO -0.08 -0.51 -0.20 -0.44 -1.79 0.00 0.00 174.94 171.93 2arj s SER 106 N 1.77 3.53 -1.53 4.36 0.01 -0.57 -4.58 113.70 116.69 2arj s SER 106 Ca 0.05 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 2arj s SER 106 Cb -0.17 -1.01 0.05 0.00 0.21 0.00 0.00 66.02 65.11 2arj s SER 106 CO -0.21 0.25 0.49 0.59 0.41 0.00 0.00 173.24 174.78 2arj n ASN 107 N 2.90 -1.14 -3.00 2.44 3.02 -1.26 0.23 115.26 118.44 2arj n ASN 107 Ca -0.17 -1.04 -0.18 0.00 -0.03 0.00 0.00 54.58 53.15 2arj n ASN 107 Cb 0.52 -2.77 -0.00 0.00 -0.61 0.00 0.00 39.78 36.92 2arj n ASN 107 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2arj n SER 108 N -2.86 -3.67 -4.26 6.41 3.41 -1.26 -4.98 113.62 106.40 2arj n SER 108 Ca -0.18 -0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 57.96 2arj n SER 108 Cb 0.62 -3.08 -0.16 0.00 -0.26 0.00 0.00 64.21 61.33 2arj n SER 108 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2arj s VAL 109 N -2.78 2.20 0.17 -3.33 1.01 0.14 -5.12 120.40 112.69 2arj s VAL 109 Ca 0.24 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 2arj s VAL 109 Cb -0.13 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 2arj s VAL 109 CO 0.30 0.56 0.82 -0.04 0.00 0.00 0.00 175.10 176.74 2arj s MET 110 N 0.19 4.63 0.05 2.72 -1.94 -1.26 -1.51 119.30 122.19 2arj s MET 110 Ca -0.14 1.24 0.06 0.00 -1.71 0.00 0.00 55.69 55.15 2arj s MET 110 Cb -0.17 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 2arj s MET 110 CO 0.07 0.52 -0.18 0.71 -0.01 0.00 0.00 175.02 176.13 2arj s TYR 111 N -1.03 1.59 0.01 -0.03 2.02 0.12 -4.97 117.35 115.07 2arj s TYR 111 Ca 0.38 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.77 2arj s TYR 111 Cb -0.24 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2arj s TYR 111 CO 0.27 0.08 -0.20 -0.06 -1.57 0.00 0.00 175.55 174.07 2arj s PHE 112 N -0.85 1.81 0.82 2.71 0.08 -1.26 -1.45 117.98 119.83 2arj s PHE 112 Ca 0.05 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.61 2arj s PHE 112 Cb -0.09 -1.12 0.19 0.00 -0.57 0.00 0.00 43.02 41.43 2arj s PHE 112 CO 0.02 0.03 1.08 -1.13 -0.10 0.00 0.00 175.22 175.11 2arj n SER 113 N 2.23 -0.06 -4.28 1.36 3.41 -0.88 -4.73 113.62 110.65 2arj n SER 113 Ca -0.16 -1.37 -0.29 0.00 -0.26 0.00 0.00 58.87 56.79 2arj n SER 113 Cb 0.53 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 2arj n SER 113 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2arj s SER 114 N -4.91 1.81 -0.13 4.04 0.01 -1.26 -4.86 113.70 108.40 2arj s SER 114 Ca 0.62 0.90 -0.06 0.00 1.31 0.00 0.00 55.95 58.72 2arj s SER 114 Cb -0.02 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2arj s SER 114 CO 0.43 -3.60 0.07 -0.69 0.41 0.00 0.00 173.24 169.87 2arj s VAL 115 N -3.01 4.92 -0.34 3.43 1.01 -1.26 -4.54 120.40 120.61 2arj s VAL 115 Ca 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 2arj s VAL 115 Cb -0.14 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.15 2arj s VAL 115 CO 0.57 0.56 0.10 -0.69 0.00 0.00 0.00 175.10 175.63 2arj s VAL 116 N -0.50 3.41 -0.36 2.92 1.01 0.13 -4.90 120.40 122.11 2arj s VAL 116 Ca 0.11 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 2arj s VAL 116 Cb -0.12 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2arj s VAL 116 CO 0.02 -0.28 1.59 -2.84 0.00 0.00 0.00 175.10 173.59 2arj s PRO 117 N 1.29 3.50 -0.48 2.72 0.02 -1.26 -1.01 135.00 139.78 2arj s PRO 117 Ca -0.01 1.21 -0.08 0.00 0.02 0.00 0.00 61.00 62.15 2arj s PRO 117 Cb -0.21 -4.10 0.12 0.00 0.02 0.00 0.00 34.50 30.34 2arj s PRO 117 CO -0.00 -1.65 0.35 0.08 -0.33 0.00 0.00 177.00 175.44 2arj s VAL 118 N 6.00 4.12 -0.02 3.83 1.01 0.50 -1.49 120.40 134.34 2arj s VAL 118 Ca 0.70 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2arj s VAL 118 Cb -0.18 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2arj s VAL 118 CO 0.33 -0.78 -0.11 -0.76 0.00 0.00 0.00 175.10 173.77 2arj s LEU 119 N 1.23 1.94 0.20 3.92 1.43 -0.45 -1.82 118.68 125.12 2arj s LEU 119 Ca 0.07 -0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 52.64 2arj s LEU 119 Cb -0.25 -0.61 -0.15 0.00 0.03 0.00 0.00 46.19 45.21 2arj s LEU 119 CO -0.02 0.12 1.26 1.67 0.23 0.00 0.00 176.35 179.61 2arj n GLN 120 N 2.98 1.50 0.00 1.70 7.27 -1.26 -1.42 117.38 128.16 2arj n GLN 120 Ca -0.15 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2arj n GLN 120 Cb 0.55 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 31.11 2arj n GLN 120 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2arj n LYS 121 N 1.87 0.00 -0.53 3.69 4.81 0.19 -4.65 118.16 123.54 2arj n LYS 121 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2arj n LYS 121 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2arj n LYS 121 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85