#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 3.74 0.01 0.00 0.04 -1.26 -4.83 135.00 132.69 2arj s PRO 5 Ca 0.00 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.78 2arj s PRO 5 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2arj s PRO 5 CO 0.00 -0.55 -0.12 -1.83 0.04 0.00 0.00 177.00 174.54 2arj s GLU 6 N -2.80 0.90 -0.14 4.56 -1.05 -1.25 -5.01 118.70 113.91 2arj s GLU 6 Ca 0.65 -0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 54.88 2arj s GLU 6 Cb -0.26 -0.87 -0.03 0.00 -0.44 0.00 0.00 34.13 32.53 2arj s GLU 6 CO 0.32 0.23 -0.03 -0.51 0.95 0.00 0.00 175.26 176.21 2arj s LEU 7 N -0.67 3.31 -0.28 1.83 1.43 -1.26 -1.45 118.68 121.59 2arj s LEU 7 Ca 0.02 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2arj s LEU 7 Cb -0.06 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2arj s LEU 7 CO 0.00 0.22 0.00 -0.13 0.23 0.00 0.00 176.35 176.68 2arj s ARG 8 N 0.05 2.84 0.31 1.70 1.81 -0.45 -4.53 118.95 120.67 2arj s ARG 8 Ca 0.00 -0.99 -0.21 0.00 -1.72 0.00 0.00 55.73 52.81 2arj s ARG 8 Cb -0.13 -3.16 -0.09 0.00 -0.45 0.00 0.00 34.95 31.11 2arj s ARG 8 CO 0.03 -0.46 0.83 0.96 -0.68 0.00 0.00 175.30 175.97 2arj s ILE 9 N 1.37 4.45 -0.02 1.52 -5.25 -1.26 -1.18 121.20 120.84 2arj s ILE 9 Ca 0.00 1.42 0.01 0.00 -0.99 0.00 0.00 60.65 61.09 2arj s ILE 9 Cb -0.17 -3.81 0.01 0.00 2.95 0.00 0.00 42.46 41.43 2arj s ILE 9 CO -0.01 0.03 -0.04 0.12 -1.79 0.00 0.00 174.94 173.25 2arj s PHE 10 N -1.75 0.47 0.00 1.37 5.36 0.11 -4.65 117.98 118.89 2arj s PHE 10 Ca 0.50 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 2arj s PHE 10 Cb -0.15 -0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.16 2arj s PHE 10 CO 0.20 -0.06 0.00 -0.35 -1.46 0.00 0.00 175.22 173.54 2arj n PRO 11 N 3.39 1.14 0.09 10.12 -0.04 -1.26 -1.16 135.00 147.28 2arj n PRO 11 Ca -0.18 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.14 2arj n PRO 11 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.20 -3.19 0.54 3.64 -1.96 -3.46 116.57 112.33 2arj h LYS 12 Ca 0.00 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 2arj h LYS 12 Cb 0.00 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 31.82 2arj h LYS 12 CO 0.00 1.15 0.07 -1.59 -2.27 0.00 0.00 179.45 176.82 2arj s LYS 13 N -2.67 1.20 -0.19 1.90 -2.85 -1.26 -4.41 119.74 111.46 2arj s LYS 13 Ca -0.03 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.29 2arj s LYS 13 Cb 0.08 0.53 0.08 0.00 -2.06 0.00 0.00 37.83 36.46 2arj s LYS 13 CO 0.87 -0.50 0.14 1.41 0.10 0.00 0.00 175.35 177.37 2arj s MET 14 N -3.78 0.12 -0.84 1.78 1.75 -0.34 -4.98 119.30 113.00 2arj s MET 14 Ca 0.03 -0.01 -0.21 0.00 -1.25 0.00 0.00 55.69 54.25 2arj s MET 14 Cb 0.00 -1.55 0.10 0.00 2.84 0.00 0.00 34.83 36.22 2arj s MET 14 CO -0.12 -0.69 1.11 -0.51 -0.65 0.00 0.00 175.02 174.16 2arj s ASP 15 N 2.21 6.45 -0.09 1.11 -0.00 -1.26 -1.06 116.67 124.03 2arj s ASP 15 Ca 0.04 -1.61 -0.17 0.00 -0.00 0.00 0.00 52.55 50.81 2arj s ASP 15 Cb -0.16 -2.42 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 2arj s ASP 15 CO -0.12 -1.25 0.45 0.00 -0.00 0.00 0.00 175.17 174.26 2arj s ALA 16 N 3.42 3.53 0.54 5.23 0.00 -0.66 -4.34 121.76 129.47 2arj s ALA 16 Ca 0.30 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 2arj s ALA 16 Cb -0.08 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 2arj s ALA 16 CO -0.03 0.10 1.05 -1.21 0.00 0.00 0.00 175.76 175.68 2arj s GLU 17 N 0.26 3.57 0.02 0.00 0.41 -1.26 -0.73 118.70 120.96 2arj s GLU 17 Ca 0.25 1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 55.80 2arj s GLU 17 Cb -0.15 -2.06 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 2arj s GLU 17 CO 0.11 -0.62 1.33 -0.51 -0.49 0.00 0.00 175.26 175.08 2arj s LEU 18 N -3.95 4.33 0.00 1.80 1.43 -1.26 -2.59 118.68 118.44 2arj s LEU 18 Ca 0.66 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2arj s LEU 18 Cb -0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2arj s LEU 18 CO 0.28 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2arj n GLY 19 N 3.49 0.63 3.76 -3.19 0.00 -0.65 -4.91 105.19 104.32 2arj n GLY 19 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.98 3.05 -0.30 1.61 0.74 -1.07 -4.16 119.66 118.54 2arj s GLN 20 Ca 0.00 1.79 -0.14 0.00 0.05 0.00 0.00 55.36 57.07 2arj s GLN 20 Cb 0.00 -1.95 -0.03 0.00 1.10 0.00 0.00 33.01 32.13 2arj s GLN 20 CO 0.00 -1.14 0.31 0.21 -0.55 0.00 0.00 175.29 174.12 2arj s LYS 21 N -3.31 3.79 -0.21 1.67 2.20 -1.26 -0.54 119.74 122.09 2arj s LYS 21 Ca 0.77 -0.28 -0.03 0.00 -0.36 0.00 0.00 55.97 56.06 2arj s LYS 21 Cb -0.29 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 2arj s LYS 21 CO 0.32 -0.35 -0.05 0.08 -0.36 0.00 0.00 175.35 174.99 2arj s VAL 22 N 1.93 3.39 -0.02 4.02 1.01 -0.37 -4.96 120.40 125.40 2arj s VAL 22 Ca 0.11 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2arj s VAL 22 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2arj s VAL 22 CO 0.11 0.44 0.52 -1.81 0.00 0.00 0.00 175.10 174.36 2arj s ASP 23 N 1.27 6.88 -0.03 3.32 -0.00 -1.26 0.36 116.67 127.21 2arj s ASP 23 Ca 0.03 1.05 0.06 0.00 -0.00 0.00 0.00 52.55 53.69 2arj s ASP 23 Cb -0.14 -2.32 -0.01 0.00 -0.00 0.00 0.00 42.92 40.44 2arj s ASP 23 CO -0.02 0.15 -0.22 -0.76 -0.00 0.00 0.00 175.17 174.32 2arj s LEU 24 N -0.29 2.02 0.01 1.23 1.43 0.40 -4.71 118.68 118.77 2arj s LEU 24 Ca 0.28 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2arj s LEU 24 Cb -0.17 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2arj s LEU 24 CO 0.15 0.24 -0.04 0.54 0.23 0.00 0.00 176.35 177.47 2arj s VAL 25 N -0.32 0.30 -0.18 -1.59 0.11 -0.31 0.13 120.40 118.54 2arj s VAL 25 Ca 0.03 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2arj s VAL 25 Cb -0.11 -0.29 0.06 0.00 -1.53 0.00 0.00 36.38 34.51 2arj s VAL 25 CO 0.01 -0.03 0.05 0.00 -3.33 0.00 0.00 175.10 171.80 2arj s GLU 27 N 1.95 4.40 -0.39 0.00 2.12 -0.32 -2.03 118.70 124.43 2arj s GLU 27 Ca 0.00 0.97 -0.14 0.00 0.36 0.00 0.00 54.97 56.16 2arj s GLU 27 Cb -0.16 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.75 2arj s GLU 27 CO -0.08 -0.07 0.27 0.08 -0.54 0.00 0.00 175.26 174.92 2arj s VAL 28 N 1.24 5.13 0.54 3.70 1.01 0.57 -1.35 120.40 131.24 2arj s VAL 28 Ca 0.39 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2arj s VAL 28 Cb -0.18 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2arj s VAL 28 CO 0.17 -0.24 0.70 -0.76 0.00 0.00 0.00 175.10 174.98 2arj s LEU 29 N 1.66 3.17 0.00 3.92 1.43 -0.53 -4.76 118.68 123.58 2arj s LEU 29 Ca 0.05 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2arj s LEU 29 Cb -0.19 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2arj s LEU 29 CO 0.09 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 176.09 2arj n GLY 30 N -2.11 1.13 0.00 -3.19 0.00 -1.26 -3.87 105.19 95.89 2arj n GLY 30 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 2.60 0.00 -0.11 1.61 3.41 -1.26 -5.07 113.62 114.79 2arj n SER 31 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2arj n SER 31 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2arj n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2arj n VAL 32 N 0.00 1.52 -2.99 -3.33 0.24 -1.26 -5.05 118.33 107.46 2arj n VAL 32 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2arj n VAL 32 Cb 0.00 -2.04 0.00 0.00 -1.47 0.00 0.00 33.84 30.33 2arj n VAL 32 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2arj n SER 33 N -4.39 0.36 -0.56 -1.34 3.41 -1.26 -4.99 113.62 104.85 2arj n SER 33 Ca -0.36 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 2arj n SER 33 Cb 0.70 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.66 3.53 0.00 4.33 1.13 -1.26 -4.94 117.38 119.51 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 3.52 -3.08 2.99 1.08 0.00 -1.25 -4.33 105.19 104.11 2arj n GLY 35 Ca 0.00 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 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 0.10 5.56 -0.11 0.00 0.01 -0.07 -1.45 113.70 117.74 2arj s SER 37 Ca -0.01 0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 2arj s SER 37 Cb -0.07 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2arj s SER 37 CO 0.00 0.26 0.11 0.26 0.41 0.00 0.00 173.24 174.28 2arj s TRP 38 N -0.13 3.51 0.11 2.43 0.52 0.76 0.46 118.94 126.60 2arj s TRP 38 Ca 0.06 0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.69 2arj s TRP 38 Cb -0.12 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2arj s TRP 38 CO 0.01 0.68 -0.12 -0.51 0.02 0.00 0.00 176.95 177.04 2arj s LEU 39 N -1.04 2.41 -0.02 2.99 1.43 0.72 -1.71 118.68 123.45 2arj s LEU 39 Ca 0.15 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2arj s LEU 39 Cb -0.12 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.69 2arj s LEU 39 CO 0.04 -0.21 0.06 0.12 0.23 0.00 0.00 176.35 176.59 2arj s PHE 40 N -2.34 -0.07 -0.39 0.29 5.36 0.66 -1.83 117.98 119.66 2arj s PHE 40 Ca 0.08 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2arj s PHE 40 Cb -0.04 0.02 0.11 0.00 -0.34 0.00 0.00 43.02 42.77 2arj s PHE 40 CO 0.01 -0.03 0.14 -1.14 -1.46 0.00 0.00 175.22 172.74 2arj s GLN 41 N 0.07 1.77 0.10 10.12 0.74 0.87 0.57 119.66 133.89 2arj s GLN 41 Ca -0.00 -1.91 -0.36 0.00 0.05 0.00 0.00 55.36 53.13 2arj s GLN 41 Cb -0.01 -3.40 -0.17 0.00 1.10 0.00 0.00 33.01 30.53 2arj s GLN 41 CO -0.00 -1.02 1.24 -1.71 -0.55 0.00 0.00 175.29 173.26 2arj n ASN 42 N 4.32 1.28 0.10 6.67 2.85 -1.26 -2.07 115.26 127.15 2arj n ASN 42 Ca 0.01 1.13 0.09 0.00 -0.11 0.00 0.00 54.58 55.70 2arj n ASN 42 Cb 0.41 -1.16 0.41 0.00 1.24 0.00 0.00 39.78 40.68 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 2.25 0.41 0.05 1.20 7.64 -0.78 -2.48 113.62 121.91 2arj n SER 43 Ca 0.18 0.65 0.08 0.00 1.01 0.00 0.00 58.87 60.79 2arj n SER 43 Cb 0.19 -0.72 0.36 0.00 -1.01 0.00 0.00 64.21 63.03 2arj n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2arj n SER 44 N -2.00 0.25 -4.14 6.43 7.64 -1.26 -4.64 113.62 115.90 2arj n SER 44 Ca 0.01 0.57 -0.34 0.00 1.01 0.00 0.00 58.87 60.12 2arj n SER 44 Cb 0.10 -0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 2arj n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2arj s SER 45 N -3.47 4.58 0.34 6.43 1.04 -1.03 -4.98 113.70 116.60 2arj s SER 45 Ca 0.05 -1.22 0.26 0.00 0.48 0.00 0.00 55.95 55.52 2arj s SER 45 Cb 0.08 -1.64 1.11 0.00 0.10 0.00 0.00 66.02 65.68 2arj s SER 45 CO 0.28 -0.20 1.79 0.07 0.98 0.00 0.00 173.24 176.15 2arj h LYS 46 N 7.92 0.00 -5.19 4.02 -0.00 -1.88 -3.41 116.57 118.04 2arj h LYS 46 Ca -0.23 0.00 -0.63 0.00 -0.00 0.00 0.00 60.65 59.78 2arj h LYS 46 Cb 1.07 0.00 -0.20 0.00 -0.00 0.00 0.00 32.23 33.09 2arj h LYS 46 CO 0.52 0.00 -0.63 -0.51 -0.00 0.00 0.00 179.45 178.83 2arj s LEU 47 N -4.91 3.45 -0.72 7.07 1.43 -1.26 -5.01 118.68 118.73 2arj s LEU 47 Ca 0.03 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 2arj s LEU 47 Cb 0.09 -1.87 -0.21 0.00 0.03 0.00 0.00 46.19 44.23 2arj s LEU 47 CO 0.42 0.11 1.80 -0.81 0.23 0.00 0.00 176.35 178.10 2arj n PRO 48 N 3.94 0.06 -3.23 1.29 -0.04 -1.26 -4.86 135.00 130.89 2arj n PRO 48 Ca -0.17 -1.27 -0.46 0.00 -0.04 0.00 0.00 63.50 61.57 2arj n PRO 48 Cb 0.52 -3.16 -0.04 0.00 -0.04 0.00 0.00 33.50 30.77 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 7.57 3.09 0.11 0.54 2.00 -1.26 -5.05 119.66 126.66 2arj s GLN 49 Ca 0.64 -1.66 -0.31 0.00 -2.00 0.00 0.00 55.36 52.03 2arj s GLN 49 Cb -0.01 -4.32 -0.08 0.00 0.80 0.00 0.00 33.01 29.40 2arj s GLN 49 CO 0.18 -1.41 1.50 -1.25 -0.50 0.00 0.00 175.29 173.80 2arj s PRO 50 N 1.85 4.26 -0.03 1.67 0.04 -1.26 -4.49 135.00 137.04 2arj s PRO 50 Ca 0.08 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2arj s PRO 50 Cb -0.25 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2arj s PRO 50 CO 0.02 -0.56 0.01 0.95 0.04 0.00 0.00 177.00 177.47 2arj s THR 51 N 1.53 4.28 0.39 1.26 -4.23 0.19 -4.96 115.64 114.11 2arj s THR 51 Ca 0.68 -0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 60.49 2arj s THR 51 Cb -0.39 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 2arj s THR 51 CO 0.30 0.45 1.00 0.12 -0.54 0.00 0.00 174.62 175.95 2arj s PHE 52 N -1.04 3.38 0.07 3.99 5.36 -1.26 -0.25 117.98 128.24 2arj s PHE 52 Ca 0.18 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2arj s PHE 52 Cb -0.12 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 2arj s PHE 52 CO 0.08 -0.30 0.00 0.28 -1.46 0.00 0.00 175.22 173.82 2arj n VAL 53 N -0.07 0.86 -3.51 3.12 0.31 -0.70 -4.85 118.33 113.50 2arj n VAL 53 Ca 0.05 0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 64.49 2arj n VAL 53 Cb 0.51 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.00 0.00 -0.10 2.52 0.11 -1.17 -3.37 120.40 116.39 2arj s VAL 54 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 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 0.00 -0.15 -0.47 -3.33 0.00 0.00 175.10 171.15 2arj s TYR 55 N -1.46 1.94 -0.16 1.54 5.04 -0.58 -0.17 117.35 123.51 2arj s TYR 55 Ca -0.09 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.61 2arj s TYR 55 Cb -0.00 -1.39 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 2arj s TYR 55 CO 0.07 -0.45 -0.02 -1.64 -1.34 0.00 0.00 175.55 172.18 2arj s MET 56 N 0.91 3.68 0.49 4.97 -1.94 -0.53 -0.77 119.30 126.11 2arj s MET 56 Ca -0.08 -0.48 -0.22 0.00 -1.71 0.00 0.00 55.69 53.19 2arj s MET 56 Cb -0.15 -2.96 -0.07 0.00 2.01 0.00 0.00 34.83 33.66 2arj s MET 56 CO -0.00 0.28 1.21 0.00 -0.01 0.00 0.00 175.02 176.49 2arj s ALA 57 N 0.28 2.91 0.02 3.03 0.00 -1.01 -0.36 121.76 126.63 2arj s ALA 57 Ca -0.02 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 2arj s ALA 57 Cb -0.14 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.39 2arj s ALA 57 CO 0.02 -0.84 1.26 0.66 0.00 0.00 0.00 175.76 176.86 2arj h SER 58 N 1.84 0.34 0.00 0.00 4.64 -1.88 -3.42 113.55 115.08 2arj h SER 58 Ca -0.50 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 2arj h SER 58 Cb 1.26 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2arj h SER 58 CO 0.59 0.84 0.00 -1.54 -0.87 0.00 0.00 176.83 175.85 2arj n SER 59 N -4.53 0.00 -4.80 4.97 3.41 -1.26 -4.83 113.62 106.58 2arj n SER 59 Ca -0.07 0.26 -0.23 0.00 -0.26 0.00 0.00 58.87 58.57 2arj n SER 59 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.53 3.07 -0.35 7.33 3.76 -1.26 -5.03 115.29 122.28 2arj s HIS 60 Ca 0.00 -0.10 -0.28 0.00 -0.15 0.00 0.00 55.06 54.53 2arj s HIS 60 Cb 0.00 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 2arj s HIS 60 CO 0.00 0.53 1.97 -0.80 -0.85 0.00 0.00 174.74 175.59 2arj s ASN 61 N -3.63 5.56 -0.34 1.40 0.01 -1.26 -4.45 114.94 112.23 2arj s ASN 61 Ca 0.32 1.32 0.03 0.00 -0.71 0.00 0.00 52.86 53.82 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 0.24 -1.97 0.70 -0.75 -1.51 0.00 0.00 177.10 173.82 2arj s LYS 62 N 6.25 0.56 0.46 -0.60 2.36 -1.26 -5.05 119.74 122.46 2arj s LYS 62 Ca 0.85 0.16 -0.02 0.00 -2.55 0.00 0.00 55.97 54.41 2arj s LYS 62 Cb -0.23 0.15 -0.01 0.00 -1.05 0.00 0.00 37.83 36.68 2arj s LYS 62 CO 0.32 -0.93 0.71 0.96 1.55 0.00 0.00 175.35 177.96 2arj s ILE 63 N 2.42 4.34 -0.08 5.43 -0.00 -1.26 -2.39 121.20 129.66 2arj s ILE 63 Ca 0.15 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.65 60.51 2arj s ILE 63 Cb -0.06 -3.63 0.03 0.00 -0.00 0.00 0.00 42.46 38.81 2arj s ILE 63 CO -0.18 -0.50 0.02 -0.89 -0.00 0.00 0.00 174.94 173.39 2arj s THR 64 N -2.62 0.25 -0.16 8.37 2.01 0.05 -4.96 115.64 118.57 2arj s THR 64 Ca 0.47 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 2arj s THR 64 Cb -0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 2arj s THR 64 CO 0.40 0.18 0.01 0.26 -0.69 0.00 0.00 174.62 174.78 2arj s TRP 65 N 2.02 3.13 0.38 4.92 0.52 -1.26 -1.52 118.94 127.13 2arj s TRP 65 Ca 0.04 -0.11 -0.27 0.00 0.02 0.00 0.00 56.10 55.79 2arj s TRP 65 Cb -0.13 -2.00 -0.09 0.00 -1.15 0.00 0.00 33.47 30.10 2arj s TRP 65 CO -0.05 0.07 1.26 0.34 0.02 0.00 0.00 176.95 178.59 2arj s ASP 66 N 0.29 6.50 0.13 2.95 2.15 -1.22 -4.94 116.67 122.54 2arj s ASP 66 Ca -0.00 2.56 -0.17 0.00 0.43 0.00 0.00 52.55 55.37 2arj s ASP 66 Cb -0.13 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2arj s ASP 66 CO 0.02 -0.71 1.71 1.05 -0.17 0.00 0.00 175.17 177.07 2arj h GLU 67 N 2.86 0.51 -1.44 4.34 9.09 -1.99 -3.51 114.58 124.44 2arj h GLU 67 Ca -0.49 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 58.85 2arj h GLU 67 Cb 1.24 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 2arj h GLU 67 CO 0.63 0.45 0.00 1.63 0.05 0.00 0.00 179.01 181.77 2arj n LYS 68 N -4.74 0.00 -0.29 1.06 5.02 -1.26 -5.25 118.16 112.71 2arj n LYS 68 Ca -0.01 0.00 0.26 0.00 -2.02 0.00 0.00 58.31 56.55 2arj n LYS 68 Cb 0.10 -0.31 0.41 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.72 0.01 -0.25 1.97 5.02 -1.26 -5.25 118.16 119.12 2arj n LYS 73 Ca 0.00 0.73 -0.06 0.00 -2.02 0.00 0.00 58.31 56.96 2arj n LYS 73 Cb 0.00 -1.77 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 2arj n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2arj n LEU 74 N -2.92 -0.60 -4.89 -0.35 4.77 -1.26 -4.73 117.00 107.02 2arj n LEU 74 Ca 0.22 1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 57.07 2arj n LEU 74 Cb 1.21 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 42.11 2arj n LEU 74 CO 0.22 -0.89 -0.04 -0.36 -1.33 0.00 0.00 177.39 174.99 2arj s PHE 75 N -5.35 2.97 -0.02 -1.77 0.08 -1.26 -0.68 117.98 111.95 2arj s PHE 75 Ca -0.07 -0.27 -0.21 0.00 0.12 0.00 0.00 56.93 56.49 2arj s PHE 75 Cb 0.08 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2arj s PHE 75 CO 0.39 0.14 0.46 0.45 -0.10 0.00 0.00 175.22 176.55 2arj s SER 76 N -4.04 -0.37 -0.17 1.36 0.15 -0.36 -4.87 113.70 105.40 2arj s SER 76 Ca 0.42 0.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.21 2arj s SER 76 Cb -0.07 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2arj s SER 76 CO 0.28 -0.54 0.45 0.00 1.20 0.00 0.00 173.24 174.63 2arj s ALA 77 N -1.44 -1.12 0.08 5.45 0.00 -1.26 -0.27 121.76 123.20 2arj s ALA 77 Ca -0.12 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 2arj s ALA 77 Cb -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.36 2arj s ALA 77 CO 0.05 -0.22 0.28 0.00 0.00 0.00 0.00 175.76 175.87 2arj s MET 78 N 0.28 0.88 -0.69 0.00 0.23 -0.91 -5.03 119.30 114.06 2arj s MET 78 Ca -0.00 -0.74 -0.17 0.00 -1.03 0.00 0.00 55.69 53.75 2arj s MET 78 Cb -0.03 0.37 0.15 0.00 -1.53 0.00 0.00 34.83 33.79 2arj s MET 78 CO 0.00 -0.30 0.72 0.50 -2.03 0.00 0.00 175.02 173.91 2arj s ARG 79 N -3.39 3.28 1.06 3.16 3.52 -1.26 -1.29 118.95 124.02 2arj s ARG 79 Ca 0.01 -1.85 -0.18 0.00 -0.13 0.00 0.00 55.73 53.58 2arj s ARG 79 Cb 0.02 -4.40 0.07 0.00 -1.56 0.00 0.00 34.95 29.08 2arj s ARG 79 CO -0.09 -1.43 -0.17 -3.47 -0.81 0.00 0.00 175.30 169.33 2arj n ASP 80 N 5.31 -2.66 0.00 -2.12 2.03 -0.93 -4.96 116.55 113.21 2arj n ASP 80 Ca 0.01 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2arj n ASP 80 Cb 0.44 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 2arj n ASP 80 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2arj n THR 81 N -4.26 0.00 0.00 5.18 -1.04 -1.26 -4.43 114.28 108.47 2arj n THR 81 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2arj n THR 81 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2arj n THR 81 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2arj n ASN 82 N 0.00 0.00 -2.46 8.00 3.02 -1.26 -3.56 115.26 119.00 2arj n ASN 82 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2arj n ASN 82 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 2arj n ASN 82 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2arj n ASN 83 N 0.31 2.51 -4.42 6.41 3.02 -1.26 -5.01 115.26 116.81 2arj n ASN 83 Ca 0.00 -2.57 -0.42 0.00 -0.03 0.00 0.00 54.58 51.56 2arj n ASN 83 Cb 0.00 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 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 -3.50 2.90 -0.33 3.52 1.02 -1.23 -0.32 119.74 121.80 2arj s LYS 84 Ca 0.35 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 2arj s LYS 84 Cb 0.35 -3.88 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 2arj s LYS 84 CO -0.03 -0.75 0.19 0.71 -0.92 0.00 0.00 175.35 174.56 2arj s TYR 85 N 1.62 3.20 -0.17 3.18 1.51 -0.86 -2.19 117.35 123.64 2arj s TYR 85 Ca 0.04 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 2arj s TYR 85 Cb -0.19 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.20 2arj s TYR 85 CO 0.08 -0.43 0.32 0.08 -1.11 0.00 0.00 175.55 174.49 2arj s VAL 86 N 1.65 5.28 -0.19 0.71 1.01 -0.41 -1.32 120.40 127.13 2arj s VAL 86 Ca 0.05 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 2arj s VAL 86 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2arj s VAL 86 CO 0.08 0.35 -0.04 -0.22 0.00 0.00 0.00 175.10 175.27 2arj s LEU 87 N 0.72 3.08 -0.09 3.92 2.96 0.35 -2.14 118.68 127.48 2arj s LEU 87 Ca 0.17 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2arj s LEU 87 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2arj s LEU 87 CO 0.05 0.08 -0.20 0.42 -1.32 0.00 0.00 176.35 175.39 2arj s THR 88 N 0.89 2.49 -0.20 3.68 -4.23 0.63 0.15 115.64 119.04 2arj s THR 88 Ca -0.00 -0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 59.46 2arj s THR 88 Cb -0.15 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2arj s THR 88 CO 0.01 0.56 0.42 -0.76 -0.54 0.00 0.00 174.62 174.31 2arj s LEU 89 N 0.06 4.15 -0.03 4.79 1.43 0.16 -1.22 118.68 128.02 2arj s LEU 89 Ca -0.08 0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.34 2arj s LEU 89 Cb -0.15 -2.54 -0.26 0.00 0.03 0.00 0.00 46.19 43.26 2arj s LEU 89 CO 0.05 -0.09 1.00 0.78 0.23 0.00 0.00 176.35 178.32 2arj h ASN 90 N 7.39 0.42 -3.30 2.29 4.21 -1.19 -0.98 115.58 124.42 2arj h ASN 90 Ca -0.36 -0.84 -0.46 0.00 1.21 0.00 0.00 56.30 55.86 2arj h ASN 90 Cb 1.16 -0.13 -0.36 0.00 -1.12 0.00 0.00 38.32 37.87 2arj h ASN 90 CO 0.72 1.21 -0.78 -0.54 -1.29 0.00 0.00 177.43 176.75 2arj s LYS 91 N -2.89 0.99 0.23 0.81 1.02 -1.26 -3.98 119.74 114.66 2arj s LYS 91 Ca -0.14 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 2arj s LYS 91 Cb 0.02 -1.13 -0.09 0.00 -0.52 0.00 0.00 37.83 36.11 2arj s LYS 91 CO 0.80 -0.21 1.13 0.12 -0.92 0.00 0.00 175.35 176.27 2arj s PHE 92 N 1.52 3.52 0.32 3.18 5.36 0.30 -4.82 117.98 127.36 2arj s PHE 92 Ca -0.01 1.60 -0.14 0.00 -0.96 0.00 0.00 56.93 57.42 2arj s PHE 92 Cb -0.13 -3.33 0.02 0.00 -0.34 0.00 0.00 43.02 39.24 2arj s PHE 92 CO -0.04 -0.78 0.64 -1.54 -1.46 0.00 0.00 175.22 172.04 2arj s SER 93 N -0.43 0.09 0.57 6.13 1.04 -1.26 -1.63 113.70 118.21 2arj s SER 93 Ca 0.48 -1.03 0.29 0.00 0.48 0.00 0.00 55.95 56.18 2arj s SER 93 Cb -0.32 0.72 1.46 0.00 0.10 0.00 0.00 66.02 67.98 2arj s SER 93 CO 0.39 -1.40 1.88 0.07 0.98 0.00 0.00 173.24 175.16 2arj h LYS 94 N 2.08 0.00 -0.10 4.02 -0.00 -1.95 -2.79 116.57 117.83 2arj h LYS 94 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.37 2arj h LYS 94 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.47 2arj h LYS 94 CO 0.35 0.00 -0.00 0.93 -0.00 0.00 0.00 179.45 180.72 2arj h GLU 95 N 0.00 0.17 -0.62 0.07 5.08 -1.96 -3.14 114.58 114.18 2arj h GLU 95 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2arj h GLU 95 Cb 1.37 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2arj h GLU 95 CO -0.00 0.44 0.00 0.27 -1.00 0.00 0.00 179.01 178.71 2arj n ASN 96 N -4.81 3.44 -4.67 1.42 2.04 -1.12 -4.92 115.26 106.63 2arj n ASN 96 Ca -0.06 -2.08 -0.43 0.00 -0.44 0.00 0.00 54.58 51.57 2arj n ASN 96 Cb 0.20 -0.43 -0.02 0.00 -2.53 0.00 0.00 39.78 37.00 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 4.26 0.00 -3.83 -6.30 -1.07 -4.83 118.70 105.63 2arj s GLU 97 Ca 0.41 1.59 0.00 0.00 -2.50 0.00 0.00 54.97 54.47 2arj s GLU 97 Cb 0.23 -3.70 0.00 0.00 0.00 0.00 0.00 34.13 30.66 2arj s GLU 97 CO 0.26 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2arj n GLY 98 N 3.49 -0.54 3.40 -1.50 0.00 -0.76 -1.87 105.19 107.41 2arj n GLY 98 Ca 0.13 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.93 2.87 0.12 1.61 1.51 -0.88 0.09 117.35 118.75 2arj s TYR 99 Ca 0.00 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 2arj s TYR 99 Cb 0.00 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2arj s TYR 99 CO 0.00 -0.19 -0.10 0.71 -1.11 0.00 0.00 175.55 174.86 2arj s TYR 100 N 0.42 2.71 -0.16 2.71 1.51 -0.41 -0.09 117.35 124.03 2arj s TYR 100 Ca -0.08 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2arj s TYR 100 Cb -0.15 -1.40 0.11 0.00 -0.11 0.00 0.00 41.96 40.41 2arj s TYR 100 CO 0.04 0.44 0.93 -0.59 -1.11 0.00 0.00 175.55 175.26 2arj s PHE 101 N -1.31 -0.46 0.30 2.71 -0.71 -0.76 -0.35 117.98 117.40 2arj s PHE 101 Ca 0.22 0.88 -0.00 0.00 -1.04 0.00 0.00 56.93 56.98 2arj s PHE 101 Cb -0.11 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 2arj s PHE 101 CO 0.14 -0.38 0.51 0.00 -1.34 0.00 0.00 175.22 174.15 2arj s SER 103 N -3.73 0.20 0.08 0.00 0.15 0.17 -1.92 113.70 108.64 2arj s SER 103 Ca 0.40 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 2arj s SER 103 Cb -0.10 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2arj s SER 103 CO 0.33 -0.55 0.18 -0.69 1.20 0.00 0.00 173.24 173.71 2arj s VAL 104 N -2.92 0.14 -0.32 4.45 1.01 -0.37 -0.89 120.40 121.51 2arj s VAL 104 Ca -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2arj s VAL 104 Cb 0.01 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.21 2arj s VAL 104 CO -0.06 -0.65 0.11 0.27 0.00 0.00 0.00 175.10 174.77 2arj s ILE 105 N -3.67 0.81 -0.13 2.22 -5.25 -1.26 0.02 121.20 113.94 2arj s ILE 105 Ca 0.04 -1.42 -0.01 0.00 -0.99 0.00 0.00 60.65 58.27 2arj s ILE 105 Cb 0.04 -1.62 -0.02 0.00 2.95 0.00 0.00 42.46 43.81 2arj s ILE 105 CO -0.10 -0.70 -0.08 -0.44 -1.79 0.00 0.00 174.94 171.83 2arj s SER 106 N 1.58 4.43 -1.51 4.36 0.01 -0.54 -4.59 113.70 117.44 2arj s SER 106 Ca 0.10 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 2arj s SER 106 Cb -0.18 -1.58 0.07 0.00 0.21 0.00 0.00 66.02 64.55 2arj s SER 106 CO -0.24 0.21 0.85 0.59 0.41 0.00 0.00 173.24 175.05 2arj n ASN 107 N 3.27 -3.48 -2.60 2.44 3.02 -1.26 0.18 115.26 116.83 2arj n ASN 107 Ca -0.18 -0.84 -0.17 0.00 -0.03 0.00 0.00 54.58 53.36 2arj n ASN 107 Cb 0.53 -3.67 -0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -4.59 -4.25 6.41 3.41 -1.26 -4.99 113.62 105.47 2arj n SER 108 Ca -0.05 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 2arj n SER 108 Cb 0.56 -3.84 -0.16 0.00 -0.26 0.00 0.00 64.21 60.51 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 -2.81 2.32 0.14 -3.33 1.01 0.13 -5.12 120.40 112.73 2arj s VAL 109 Ca 0.08 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 2arj s VAL 109 Cb -0.04 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 2arj s VAL 109 CO 0.09 0.55 0.79 -0.04 0.00 0.00 0.00 175.10 176.49 2arj s MET 110 N 0.39 4.57 -0.02 2.72 -1.94 -1.26 -1.47 119.30 122.29 2arj s MET 110 Ca -0.16 1.16 0.06 0.00 -1.71 0.00 0.00 55.69 55.04 2arj s MET 110 Cb -0.17 -3.29 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 2arj s MET 110 CO 0.07 0.48 -0.19 0.71 -0.01 0.00 0.00 175.02 176.08 2arj s TYR 111 N -0.81 1.74 0.02 -0.03 2.02 0.10 -4.97 117.35 115.42 2arj s TYR 111 Ca 0.37 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.80 2arj s TYR 111 Cb -0.23 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2arj s TYR 111 CO 0.26 -0.04 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.92 2arj s PHE 112 N -0.41 1.87 1.11 2.71 0.08 -1.26 -1.23 117.98 120.85 2arj s PHE 112 Ca 0.06 -0.37 -0.19 0.00 0.12 0.00 0.00 56.93 56.56 2arj s PHE 112 Cb -0.08 -1.15 0.26 0.00 -0.57 0.00 0.00 43.02 41.48 2arj s PHE 112 CO -0.00 0.04 1.24 -1.54 -0.10 0.00 0.00 175.22 174.86 2arj s SER 113 N -0.89 1.75 1.18 1.36 1.04 -0.81 -4.72 113.70 112.60 2arj s SER 113 Ca 0.08 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.64 2arj s SER 113 Cb -0.09 -0.35 0.28 0.00 0.10 0.00 0.00 66.02 65.96 2arj s SER 113 CO 0.01 -3.58 1.14 -0.44 0.98 0.00 0.00 173.24 171.34 2arj s SER 114 N -4.51 1.13 -0.12 7.02 0.01 -1.26 -4.85 113.70 111.12 2arj s SER 114 Ca 0.75 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 58.55 2arj s SER 114 Cb -0.05 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 2arj s SER 114 CO 0.55 -3.99 -0.02 -0.69 0.41 0.00 0.00 173.24 169.50 2arj s VAL 115 N -3.12 4.05 -0.33 3.43 1.01 -1.26 -4.54 120.40 119.64 2arj s VAL 115 Ca 0.71 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2arj s VAL 115 Cb -0.09 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2arj s VAL 115 CO 0.56 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.59 2arj s VAL 116 N -0.24 3.45 -0.26 2.92 1.01 0.53 -4.90 120.40 122.90 2arj s VAL 116 Ca 0.05 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 2arj s VAL 116 Cb -0.13 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2arj s VAL 116 CO 0.02 -0.21 1.75 -2.84 0.00 0.00 0.00 175.10 173.82 2arj s PRO 117 N 1.32 3.57 -0.48 2.72 0.02 -1.26 -1.29 135.00 139.60 2arj s PRO 117 Ca -0.02 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 62.54 2arj s PRO 117 Cb -0.20 -4.13 0.12 0.00 0.02 0.00 0.00 34.50 30.31 2arj s PRO 117 CO 0.01 -1.57 0.34 0.08 -0.33 0.00 0.00 177.00 175.52 2arj s VAL 118 N 6.09 4.08 -0.02 3.83 1.01 0.11 -1.20 120.40 134.31 2arj s VAL 118 Ca 0.78 -1.91 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2arj s VAL 118 Cb -0.25 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2arj s VAL 118 CO 0.32 -0.78 -0.08 -0.76 0.00 0.00 0.00 175.10 173.81 2arj s LEU 119 N 1.22 1.77 0.16 3.92 1.43 -0.22 -1.84 118.68 125.12 2arj s LEU 119 Ca 0.07 -0.16 -0.33 0.00 -1.03 0.00 0.00 54.13 52.68 2arj s LEU 119 Cb -0.25 -0.47 -0.16 0.00 0.03 0.00 0.00 46.19 45.34 2arj s LEU 119 CO -0.02 0.05 1.13 1.67 0.23 0.00 0.00 176.35 179.42 2arj n GLN 120 N 3.31 1.02 -1.69 1.70 7.27 -1.26 -1.65 117.38 126.08 2arj n GLN 120 Ca -0.18 0.36 -0.66 0.00 0.07 0.00 0.00 57.00 56.60 2arj n GLN 120 Cb 0.55 -1.85 -0.09 0.00 2.41 0.00 0.00 30.24 31.26 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 1.74 0.02 0.00 3.69 4.81 0.09 -4.64 118.16 123.87 2arj n LYS 121 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2arj n LYS 121 Cb 0.23 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2arj n LYS 121 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2arj n VAL 122 N 3.44 0.00 -0.85 3.15 3.14 -1.26 -4.97 118.33 120.98 2arj n VAL 122 Ca 0.28 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.98 2arj n VAL 122 Cb -0.02 -1.02 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 2arj n VAL 122 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96