#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2atp n PRO 5 N 0.00 0.31 -3.73 0.00 -0.02 -1.23 -4.85 135.00 125.47 2atp n PRO 5 Ca 0.00 0.13 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 2atp n PRO 5 Cb 0.00 -1.60 -0.18 0.00 -0.02 0.00 0.00 33.50 31.70 2atp n PRO 5 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2atp s GLU 6 N -2.20 0.30 -0.20 -0.52 2.12 -1.26 -4.97 118.70 111.98 2atp s GLU 6 Ca 0.64 0.23 -0.06 0.00 0.36 0.00 0.00 54.97 56.13 2atp s GLU 6 Cb -0.40 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 2atp s GLU 6 CO 0.59 -0.31 0.03 -0.51 -0.54 0.00 0.00 175.26 174.52 2atp s LEU 7 N 2.02 3.47 -0.00 2.70 1.02 -1.26 -0.74 118.68 125.88 2atp s LEU 7 Ca 0.04 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.11 2atp s LEU 7 Cb -0.12 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 2atp s LEU 7 CO -0.04 0.10 -0.02 -0.13 0.02 0.00 0.00 176.35 176.28 2atp s ARG 8 N 0.82 2.73 -0.32 1.70 1.81 -0.16 -4.57 118.95 120.96 2atp s ARG 8 Ca 0.02 -0.63 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 2atp s ARG 8 Cb -0.14 -2.63 0.11 0.00 -0.45 0.00 0.00 34.95 31.84 2atp s ARG 8 CO 0.02 0.62 0.15 -1.50 -0.68 0.00 0.00 175.30 173.92 2atp s ILE 9 N -1.05 0.31 -0.18 1.52 2.07 -1.26 -0.76 121.20 121.85 2atp s ILE 9 Ca 0.19 -1.28 -0.09 0.00 -1.41 0.00 0.00 60.65 58.05 2atp s ILE 9 Cb -0.11 -1.25 -0.05 0.00 0.13 0.00 0.00 42.46 41.18 2atp s ILE 9 CO 0.09 -0.80 0.13 -0.36 -1.91 0.00 0.00 174.94 172.09 2atp s PHE 10 N 1.60 3.45 0.95 3.50 0.08 -0.73 -3.63 117.98 123.21 2atp s PHE 10 Ca 0.12 0.37 -0.15 0.00 0.12 0.00 0.00 56.93 57.40 2atp s PHE 10 Cb -0.19 -2.10 0.17 0.00 -0.57 0.00 0.00 43.02 40.33 2atp s PHE 10 CO -0.22 0.39 1.20 -1.25 -0.10 0.00 0.00 175.22 175.25 2atp s PRO 11 N 0.03 0.77 0.31 0.24 0.04 -1.26 -1.11 135.00 134.01 2atp s PRO 11 Ca 0.10 -0.04 0.19 0.00 0.04 0.00 0.00 61.00 61.29 2atp s PRO 11 Cb -0.11 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.75 2atp s PRO 11 CO -0.01 -2.39 1.41 0.87 0.04 0.00 0.00 177.00 176.93 2atp h LYS 12 N -1.63 0.00 -2.82 4.56 1.79 -1.99 -3.47 116.57 113.01 2atp h LYS 12 Ca -0.47 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.10 2atp h LYS 12 Cb 1.29 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 2atp h LYS 12 CO 0.50 0.24 0.30 -1.59 -1.08 0.00 0.00 179.45 177.82 2atp s LYS 13 N -3.10 1.62 -0.29 3.15 -2.85 -1.26 -4.14 119.74 112.87 2atp s LYS 13 Ca 0.04 -0.89 0.01 0.00 -1.00 0.00 0.00 55.97 54.14 2atp s LYS 13 Cb 0.07 0.56 0.19 0.00 -2.06 0.00 0.00 37.83 36.58 2atp s LYS 13 CO 0.73 -0.74 0.58 1.41 0.10 0.00 0.00 175.35 177.42 2atp s MET 14 N -3.75 0.55 -0.81 1.78 1.75 -0.54 -4.96 119.30 113.32 2atp s MET 14 Ca 0.11 0.79 -0.21 0.00 -1.25 0.00 0.00 55.69 55.13 2atp s MET 14 Cb -0.05 0.36 0.09 0.00 2.84 0.00 0.00 34.83 38.07 2atp s MET 14 CO 0.05 -0.78 1.10 -0.51 -0.65 0.00 0.00 175.02 174.22 2atp s ASP 15 N 2.82 6.38 -0.01 1.11 1.01 -1.25 -2.24 116.67 124.49 2atp s ASP 15 Ca 0.16 -1.42 -0.02 0.00 0.71 0.00 0.00 52.55 51.99 2atp s ASP 15 Cb -0.13 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2atp s ASP 15 CO -0.23 -1.33 0.14 0.00 0.21 0.00 0.00 175.17 173.96 2atp s ALA 16 N 3.73 3.79 0.07 5.23 0.00 -0.52 -4.80 121.76 129.26 2atp s ALA 16 Ca 0.29 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 2atp s ALA 16 Cb -0.10 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 2atp s ALA 16 CO 0.01 0.72 0.40 -2.00 0.00 0.00 0.00 175.76 174.89 2atp s GLU 17 N -1.84 3.78 0.54 0.00 2.12 -1.26 -2.60 118.70 119.43 2atp s GLU 17 Ca 0.25 0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.59 2atp s GLU 17 Cb -0.12 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 2atp s GLU 17 CO 0.16 0.57 0.62 1.28 -0.54 0.00 0.00 175.26 177.35 2atp n LEU 18 N 0.98 1.12 0.00 2.70 4.77 -1.26 -1.81 117.00 123.50 2atp n LEU 18 Ca -0.08 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2atp n LEU 18 Cb 0.52 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2atp n LEU 18 CO 0.42 -2.76 0.00 0.61 -1.33 0.00 0.00 177.39 174.33 2atp n GLY 19 N 1.68 2.79 3.76 -0.72 0.00 0.41 -4.90 105.19 108.21 2atp n GLY 19 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2atp n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2atp s GLN 20 N 0.00 4.43 -0.21 1.61 0.74 -0.75 -4.32 119.66 121.16 2atp s GLN 20 Ca 0.00 2.09 -0.20 0.00 0.05 0.00 0.00 55.36 57.30 2atp s GLN 20 Cb 0.00 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 2atp s GLN 20 CO 0.00 -0.12 0.61 0.21 -0.55 0.00 0.00 175.29 175.44 2atp s LYS 21 N -1.29 4.18 -0.16 1.67 2.20 -1.23 -1.39 119.74 123.72 2atp s LYS 21 Ca 0.50 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 2atp s LYS 21 Cb -0.37 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2atp s LYS 21 CO 0.47 -0.26 -0.17 0.08 -0.36 0.00 0.00 175.35 175.10 2atp s VAL 22 N 2.00 2.48 -0.34 4.02 1.01 -0.72 -4.98 120.40 123.88 2atp s VAL 22 Ca 0.27 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2atp s VAL 22 Cb -0.16 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 2atp s VAL 22 CO 0.10 0.52 0.20 -1.81 0.00 0.00 0.00 175.10 174.11 2atp s ASP 23 N 0.92 5.79 -0.21 3.32 1.01 -1.26 -0.46 116.67 125.78 2atp s ASP 23 Ca -0.04 -0.59 -0.10 0.00 0.71 0.00 0.00 52.55 52.53 2atp s ASP 23 Cb -0.15 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 2atp s ASP 23 CO -0.03 -0.26 0.13 -0.76 0.21 0.00 0.00 175.17 174.47 2atp s LEU 24 N 1.65 4.18 -0.12 1.23 1.43 0.56 -4.48 118.68 123.12 2atp s LEU 24 Ca 0.05 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2atp s LEU 24 Cb -0.18 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2atp s LEU 24 CO 0.08 0.16 -0.23 -0.69 0.23 0.00 0.00 176.35 175.90 2atp s VAL 25 N 0.51 2.04 -0.36 -1.59 1.01 -0.27 -0.46 120.40 121.28 2atp s VAL 25 Ca 0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2atp s VAL 25 Cb -0.12 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2atp s VAL 25 CO -0.01 0.55 0.14 0.00 0.00 0.00 0.00 175.10 175.78 2atp s GLU 27 N 1.33 3.04 -0.16 0.00 2.12 0.06 -0.28 118.70 124.81 2atp s GLU 27 Ca 0.01 -1.05 -0.14 0.00 0.36 0.00 0.00 54.97 54.15 2atp s GLU 27 Cb -0.21 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 2atp s GLU 27 CO 0.00 -0.98 0.30 0.54 -0.54 0.00 0.00 175.26 174.59 2atp s VAL 28 N 1.98 5.30 0.34 3.70 0.11 -0.74 -0.98 120.40 130.10 2atp s VAL 28 Ca 0.08 0.56 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 2atp s VAL 28 Cb -0.21 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.05 2atp s VAL 28 CO 0.10 0.39 0.39 0.18 -3.33 0.00 0.00 175.10 172.83 2atp n LEU 29 N 3.55 0.00 0.00 2.54 4.77 0.08 -4.86 117.00 123.09 2atp n LEU 29 Ca -0.12 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 2atp n LEU 29 Cb 0.52 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2atp n LEU 29 CO 0.40 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2atp n GLY 30 N 0.89 0.00 3.61 -0.72 0.00 -1.26 -4.08 105.19 103.63 2atp n GLY 30 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2atp n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2atp s SER 31 N 0.00 -0.21 -0.02 1.61 0.15 -1.26 -3.54 113.70 110.44 2atp s SER 31 Ca 0.00 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.55 2atp s SER 31 Cb 0.00 0.31 0.11 0.00 -1.71 0.00 0.00 66.02 64.73 2atp s SER 31 CO 0.00 -0.54 0.89 0.52 1.20 0.00 0.00 173.24 175.31 2atp n VAL 32 N -0.31 0.26 -1.54 4.45 0.31 -1.26 -4.96 118.33 115.27 2atp n VAL 32 Ca -0.06 -0.17 -0.48 0.00 -0.01 0.00 0.00 64.34 63.62 2atp n VAL 32 Cb 0.61 -0.18 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 2atp n VAL 32 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2atp n SER 33 N -0.06 0.73 0.02 4.52 3.41 -1.26 -4.94 113.62 116.04 2atp n SER 33 Ca 0.04 1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 59.61 2atp n SER 33 Cb 0.23 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 62.88 2atp n SER 33 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2atp h GLN 34 N 2.53 0.26 0.00 4.33 3.07 -1.93 -3.45 115.11 119.92 2atp h GLN 34 Ca -0.40 -0.40 0.00 0.00 0.09 0.00 0.00 58.65 57.94 2atp h GLN 34 Cb 1.37 0.14 0.00 0.00 0.08 0.00 0.00 27.48 29.07 2atp h GLN 34 CO 0.65 1.16 0.00 0.41 0.09 0.00 0.00 178.83 181.14 2atp n GLY 35 N 1.52 0.73 3.11 0.06 0.00 -1.26 -1.70 105.19 107.64 2atp n GLY 35 Ca -0.12 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 2atp n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2atp s SER 37 N -1.35 3.35 -0.15 0.00 0.01 -0.25 -1.58 113.70 113.73 2atp s SER 37 Ca -0.03 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 2atp s SER 37 Cb -0.09 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2atp s SER 37 CO 0.01 0.31 0.12 0.26 0.41 0.00 0.00 173.24 174.35 2atp s TRP 38 N -0.70 3.47 0.23 2.43 0.52 0.30 -0.34 118.94 124.87 2atp s TRP 38 Ca 0.11 0.40 0.10 0.00 0.02 0.00 0.00 56.10 56.73 2atp s TRP 38 Cb -0.10 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2atp s TRP 38 CO 0.00 0.53 -0.18 -0.51 0.02 0.00 0.00 176.95 176.81 2atp s LEU 39 N -0.46 2.56 -0.16 2.99 1.43 0.20 -1.31 118.68 123.93 2atp s LEU 39 Ca 0.12 -1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.03 2atp s LEU 39 Cb -0.12 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.26 2atp s LEU 39 CO 0.02 -0.05 0.50 0.12 0.23 0.00 0.00 176.35 177.16 2atp s PHE 40 N -2.63 -0.52 -0.29 0.29 5.36 -0.49 -2.30 117.98 117.39 2atp s PHE 40 Ca 0.25 1.21 0.03 0.00 -0.96 0.00 0.00 56.93 57.47 2atp s PHE 40 Cb -0.03 0.20 0.08 0.00 -0.34 0.00 0.00 43.02 42.92 2atp s PHE 40 CO 0.11 -0.31 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.88 2atp s GLN 41 N -0.02 1.80 -0.10 10.12 -0.21 -0.10 -0.01 119.66 131.14 2atp s GLN 41 Ca -0.02 -1.54 -0.30 0.00 0.02 0.00 0.00 55.36 53.53 2atp s GLN 41 Cb -0.03 -2.97 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2atp s GLN 41 CO 0.02 -0.75 1.10 0.54 -2.12 0.00 0.00 175.29 174.08 2atp s ASN 42 N 1.06 7.14 0.31 5.90 2.20 -1.26 -0.93 114.94 129.36 2atp s ASN 42 Ca 0.01 1.64 0.22 0.00 -0.94 0.00 0.00 52.86 53.79 2atp s ASN 42 Cb -0.19 -2.55 1.13 0.00 -2.00 0.00 0.00 41.25 37.63 2atp s ASN 42 CO -0.07 -0.54 1.68 -1.54 -2.94 0.00 0.00 177.10 173.69 2atp n SER 43 N 5.28 0.60 -1.81 3.54 3.41 -0.98 -1.95 113.62 121.71 2atp n SER 43 Ca 0.10 0.74 -0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2atp n SER 43 Cb 0.47 -0.83 0.17 0.00 -0.26 0.00 0.00 64.21 63.76 2atp n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2atp n SER 44 N -2.26 3.77 -3.97 4.04 3.41 -1.26 -4.88 113.62 112.46 2atp n SER 44 Ca -0.00 -3.06 -0.14 0.00 -0.26 0.00 0.00 58.87 55.41 2atp n SER 44 Cb 0.09 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.18 2atp n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2atp s SER 45 N -0.65 0.51 0.11 4.04 0.15 -0.82 -5.02 113.70 112.01 2atp s SER 45 Ca 0.41 -0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.11 2atp s SER 45 Cb 0.34 -0.01 1.01 0.00 -1.71 0.00 0.00 66.02 65.65 2atp s SER 45 CO 0.09 -0.05 1.83 0.29 1.20 0.00 0.00 173.24 176.60 2atp n LYS 46 N 2.49 0.13 -2.64 5.44 4.76 -1.26 -4.71 118.16 122.36 2atp n LYS 46 Ca -0.16 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 54.97 2atp n LYS 46 Cb 0.57 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 2atp n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2atp s LEU 47 N -3.76 4.13 0.00 -0.35 2.01 -1.26 -4.92 118.68 114.53 2atp s LEU 47 Ca 0.12 1.43 0.26 0.00 0.01 0.00 0.00 54.13 55.95 2atp s LEU 47 Cb 0.15 -3.54 1.14 0.00 0.01 0.00 0.00 46.19 43.95 2atp s LEU 47 CO 0.54 -0.65 1.85 -2.65 1.01 0.00 0.00 176.35 176.45 2atp n PRO 48 N 6.17 0.02 -3.06 1.29 -0.02 -1.26 -4.86 135.00 133.27 2atp n PRO 48 Ca 0.12 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 2atp n PRO 48 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 2atp n PRO 48 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2atp s GLN 49 N -2.98 4.29 0.48 -0.52 0.00 -1.26 -5.01 119.66 114.65 2atp s GLN 49 Ca 0.13 0.92 -0.23 0.00 -0.00 0.00 0.00 55.36 56.18 2atp s GLN 49 Cb 0.17 -2.87 -0.07 0.00 0.00 0.00 0.00 33.01 30.25 2atp s GLN 49 CO 0.48 0.38 1.30 -2.14 0.00 0.00 0.00 175.29 175.31 2atp s PRO 50 N -1.99 3.57 0.09 9.60 0.02 -1.26 -4.75 135.00 140.27 2atp s PRO 50 Ca 0.44 2.11 0.10 0.00 0.02 0.00 0.00 61.00 63.67 2atp s PRO 50 Cb -0.17 -2.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.85 2atp s PRO 50 CO 0.21 -0.81 -0.26 0.95 -0.33 0.00 0.00 177.00 176.76 2atp s THR 51 N -1.35 2.16 0.20 0.99 -4.23 0.99 -4.87 115.64 109.54 2atp s THR 51 Ca 0.65 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 2atp s THR 51 Cb -0.37 -1.89 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 2atp s THR 51 CO 0.45 0.19 1.26 0.12 -0.54 0.00 0.00 174.62 176.10 2atp s PHE 52 N -0.96 3.32 -0.01 3.99 5.36 -1.26 -1.39 117.98 127.03 2atp s PHE 52 Ca 0.12 1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 57.37 2atp s PHE 52 Cb -0.10 -3.53 -0.01 0.00 -0.34 0.00 0.00 43.02 39.03 2atp s PHE 52 CO 0.04 -1.59 -0.08 0.28 -1.46 0.00 0.00 175.22 172.41 2atp n VAL 53 N 2.47 0.78 -3.88 3.12 0.31 -0.43 -4.66 118.33 116.05 2atp n VAL 53 Ca 0.05 0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.55 2atp n VAL 53 Cb 0.43 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 2atp n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2atp s VAL 54 N -1.78 0.10 -0.03 2.52 1.01 -1.24 -1.87 120.40 119.11 2atp s VAL 54 Ca -0.07 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 2atp s VAL 54 Cb 0.01 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2atp s VAL 54 CO 0.10 -0.46 0.08 -0.47 0.00 0.00 0.00 175.10 174.35 2atp s TYR 55 N -3.90 -0.08 0.00 5.22 5.04 -0.45 -0.53 117.35 122.65 2atp s TYR 55 Ca 0.10 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 2atp s TYR 55 Cb 0.04 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 2atp s TYR 55 CO -0.06 -0.08 -0.09 -1.64 -1.34 0.00 0.00 175.55 172.34 2atp s MET 56 N 0.48 0.72 0.59 4.97 -1.94 -0.61 -1.12 119.30 122.38 2atp s MET 56 Ca -0.04 -0.41 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 2atp s MET 56 Cb -0.05 -0.68 0.00 0.00 2.01 0.00 0.00 34.83 36.10 2atp s MET 56 CO -0.02 0.18 0.92 0.00 -0.01 0.00 0.00 175.02 176.09 2atp s ALA 57 N -0.39 3.25 -0.38 3.03 0.00 -1.18 -0.58 121.76 125.51 2atp s ALA 57 Ca 0.02 -0.59 0.21 0.00 0.00 0.00 0.00 51.96 51.60 2atp s ALA 57 Cb -0.05 -2.69 -0.29 0.00 0.00 0.00 0.00 23.12 20.10 2atp s ALA 57 CO -0.00 -0.78 0.62 -1.13 0.00 0.00 0.00 175.76 174.47 2atp n SER 58 N -2.61 0.45 -0.04 0.00 3.41 -0.69 -4.59 113.62 109.56 2atp n SER 58 Ca 0.04 -0.36 -0.05 0.00 -0.26 0.00 0.00 58.87 58.24 2atp n SER 58 Cb 0.57 1.61 -0.04 0.00 -0.26 0.00 0.00 64.21 66.09 2atp n SER 58 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2atp n SER 59 N -1.96 3.39 -4.96 4.04 7.64 -1.26 -4.75 113.62 115.75 2atp n SER 59 Ca -0.01 -0.03 -0.20 0.00 1.01 0.00 0.00 58.87 59.64 2atp n SER 59 Cb 0.47 0.17 0.06 0.00 -1.01 0.00 0.00 64.21 63.90 2atp n SER 59 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2atp s HIS 60 N -2.16 1.76 -0.36 1.43 3.76 -1.26 -5.04 115.29 113.42 2atp s HIS 60 Ca -0.08 -0.55 0.06 0.00 -0.15 0.00 0.00 55.06 54.34 2atp s HIS 60 Cb 0.02 -2.41 0.50 0.00 1.11 0.00 0.00 32.58 31.81 2atp s HIS 60 CO 0.22 -1.11 1.53 0.09 -0.85 0.00 0.00 174.74 174.61 2atp n ASN 61 N -2.29 3.71 -4.77 1.40 3.02 -1.26 -4.52 115.26 110.55 2atp n ASN 61 Ca 0.14 -3.78 -0.37 0.00 -0.03 0.00 0.00 54.58 50.54 2atp n ASN 61 Cb 0.61 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2atp n ASN 61 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2atp s LYS 62 N -3.40 4.09 -0.30 3.52 3.01 -1.26 -5.04 119.74 120.36 2atp s LYS 62 Ca 0.50 0.24 0.01 0.00 -1.01 0.00 0.00 55.97 55.70 2atp s LYS 62 Cb 0.43 -3.34 0.09 0.00 -1.01 0.00 0.00 37.83 34.00 2atp s LYS 62 CO 0.01 0.41 0.05 0.42 0.51 0.00 0.00 175.35 176.76 2atp s ILE 63 N -0.12 1.38 -0.30 2.17 1.01 -1.26 -3.12 121.20 120.96 2atp s ILE 63 Ca 0.20 -1.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.14 2atp s ILE 63 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2atp s ILE 63 CO 0.08 -0.53 0.20 -0.89 0.00 0.00 0.00 174.94 173.81 2atp s THR 64 N 1.38 5.27 0.51 2.92 2.01 -0.28 -4.96 115.64 122.50 2atp s THR 64 Ca 0.07 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2atp s THR 64 Cb -0.18 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2atp s THR 64 CO -0.16 0.16 0.73 0.26 -0.69 0.00 0.00 174.62 174.92 2atp s TRP 65 N 1.74 3.02 0.19 4.92 0.52 -1.26 -1.34 118.94 126.73 2atp s TRP 65 Ca 0.07 0.10 -0.30 0.00 0.02 0.00 0.00 56.10 55.99 2atp s TRP 65 Cb -0.16 -2.57 -0.08 0.00 -1.15 0.00 0.00 33.47 29.51 2atp s TRP 65 CO 0.11 -0.65 1.24 0.34 0.02 0.00 0.00 176.95 178.00 2atp s ASP 66 N -4.33 7.01 0.00 2.95 -1.08 -0.78 -4.85 116.67 115.58 2atp s ASP 66 Ca 0.53 2.30 0.01 0.00 -0.52 0.00 0.00 52.55 54.87 2atp s ASP 66 Cb -0.10 -2.61 0.05 0.00 -1.46 0.00 0.00 42.92 38.80 2atp s ASP 66 CO 0.38 -0.43 0.82 -0.62 0.52 0.00 0.00 175.17 175.84 2atp n GLU 67 N 2.57 0.01 -0.11 4.34 -0.58 -1.26 -0.92 120.64 124.70 2atp n GLU 67 Ca 0.05 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.90 2atp n GLU 67 Cb 0.44 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.68 2atp n GLU 67 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2atp n LYS 68 N -1.28 0.67 0.16 3.49 5.02 -1.26 -4.27 118.16 120.69 2atp n LYS 68 Ca 0.00 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2atp n LYS 68 Cb 0.01 -1.55 0.42 0.00 -0.02 0.00 0.00 35.03 33.89 2atp n LYS 68 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2atp h LEU 69 N 0.01 0.00 -9.77 -0.35 3.38 -1.39 -3.43 115.31 103.75 2atp h LEU 69 Ca -0.55 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.91 2atp h LEU 69 Cb 2.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.77 2atp h LEU 69 CO -0.04 0.00 0.51 0.21 0.09 0.00 0.00 178.44 179.21 2atp s ASN 70 N -4.99 7.18 0.00 -0.43 3.84 -0.54 -2.85 114.94 117.15 2atp s ASN 70 Ca 0.07 2.29 0.00 0.00 0.21 0.00 0.00 52.86 55.43 2atp s ASN 70 Cb 0.09 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2atp s ASN 70 CO 0.55 -0.24 0.00 -1.20 -2.79 0.00 0.00 177.10 173.43 2atp n SER 71 N 1.52 0.00 -4.44 -4.21 7.64 -1.26 -4.99 113.62 107.87 2atp n SER 71 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2atp n SER 71 Cb 0.45 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 2atp n SER 71 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2atp s SER 72 N -0.54 5.52 -0.26 6.43 0.15 -1.13 -5.07 113.70 118.80 2atp s SER 72 Ca 0.00 -0.49 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 2atp s SER 72 Cb 0.00 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.31 2atp s SER 72 CO 0.00 -0.18 0.75 -0.75 1.20 0.00 0.00 173.24 174.26 2atp s LYS 73 N 1.61 4.10 0.00 5.44 2.20 -1.26 -4.33 119.74 127.51 2atp s LYS 73 Ca 0.05 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2atp s LYS 73 Cb -0.17 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2atp s LYS 73 CO 0.06 -0.52 0.00 1.47 -0.36 0.00 0.00 175.35 176.00 2atp n LEU 74 N 5.96 0.00 -3.87 5.43 -0.00 -1.26 -4.88 117.00 118.38 2atp n LEU 74 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.93 2atp n LEU 74 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.81 2atp n LEU 74 CO 0.47 0.05 -0.15 -0.36 -0.00 0.00 0.00 177.39 177.39 2atp s PHE 75 N 0.00 0.07 -0.06 1.47 2.99 -1.25 -1.71 117.98 119.49 2atp s PHE 75 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 56.93 56.39 2atp s PHE 75 Cb 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 43.02 43.03 2atp s PHE 75 CO 0.00 -0.35 0.67 -1.54 -0.00 0.00 0.00 175.22 174.00 2atp s SER 76 N -1.76 -0.65 0.09 1.36 1.04 -0.94 -4.83 113.70 108.00 2atp s SER 76 Ca -0.10 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.11 2atp s SER 76 Cb -0.04 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2atp s SER 76 CO -0.01 -0.58 -0.08 0.00 0.98 0.00 0.00 173.24 173.54 2atp s ALA 77 N -1.09 0.95 -0.03 5.32 0.00 -1.26 -1.59 121.76 124.06 2atp s ALA 77 Ca -0.10 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.45 2atp s ALA 77 Cb -0.00 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.24 2atp s ALA 77 CO 0.09 -0.10 0.55 0.00 0.00 0.00 0.00 175.76 176.31 2atp s MET 78 N -2.87 0.94 -0.18 0.00 0.23 -0.80 -5.04 119.30 111.58 2atp s MET 78 Ca 0.04 0.07 -0.03 0.00 -1.03 0.00 0.00 55.69 54.74 2atp s MET 78 Cb -0.02 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 2atp s MET 78 CO -0.01 -0.29 -0.05 0.50 -2.03 0.00 0.00 175.02 173.14 2atp s ARG 79 N -1.36 3.53 -0.37 3.16 3.52 -1.26 -0.87 118.95 125.30 2atp s ARG 79 Ca -0.11 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 2atp s ARG 79 Cb -0.02 -2.93 0.03 0.00 -1.56 0.00 0.00 34.95 30.47 2atp s ARG 79 CO 0.07 0.05 0.19 0.34 -0.81 0.00 0.00 175.30 175.15 2atp s ASP 80 N 0.84 5.68 -1.50 -2.12 2.15 1.00 -4.61 116.67 118.10 2atp s ASP 80 Ca -0.01 -1.00 -0.06 0.00 0.43 0.00 0.00 52.55 51.91 2atp s ASP 80 Cb -0.15 -2.01 0.01 0.00 -0.30 0.00 0.00 42.92 40.48 2atp s ASP 80 CO 0.01 -0.37 0.78 0.41 -0.17 0.00 0.00 175.17 175.84 2atp n THR 81 N 4.98 -2.29 -0.68 1.71 -1.04 -1.26 -1.64 114.28 114.05 2atp n THR 81 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2atp n THR 81 Cb 0.46 -3.61 0.00 0.00 -1.82 0.00 0.00 70.33 65.36 2atp n THR 81 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2atp n ASN 82 N -2.68 -1.90 0.00 8.00 3.02 -1.26 -4.59 115.26 115.86 2atp n ASN 82 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2atp n ASN 82 Cb 0.60 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 2atp n ASN 82 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2atp n ASN 83 N -0.31 0.00 -4.43 6.41 6.94 -1.19 -4.71 115.26 117.98 2atp n ASN 83 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.19 2atp n ASN 83 Cb 0.15 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.45 2atp n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2atp s LYS 84 N 0.00 3.44 -0.33 -3.83 1.02 -0.65 -1.80 119.74 117.59 2atp s LYS 84 Ca 0.00 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 2atp s LYS 84 Cb 0.00 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2atp s LYS 84 CO 0.00 -0.32 0.19 0.71 -0.92 0.00 0.00 175.35 175.01 2atp s TYR 85 N 1.59 3.20 -0.20 3.18 1.51 0.62 -0.00 117.35 127.26 2atp s TYR 85 Ca 0.05 -0.52 -0.09 0.00 -1.01 0.00 0.00 57.07 55.50 2atp s TYR 85 Cb -0.16 -2.41 -0.05 0.00 -0.11 0.00 0.00 41.96 39.24 2atp s TYR 85 CO 0.04 -0.46 0.10 0.08 -1.11 0.00 0.00 175.55 174.20 2atp s VAL 86 N 1.64 5.09 -0.15 0.71 1.01 -0.05 -0.71 120.40 127.94 2atp s VAL 86 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2atp s VAL 86 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2atp s VAL 86 CO 0.08 0.44 -0.15 -0.22 0.00 0.00 0.00 175.10 175.25 2atp s LEU 87 N 0.45 1.71 -0.08 3.92 2.96 0.39 -1.91 118.68 126.12 2atp s LEU 87 Ca 0.06 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2atp s LEU 87 Cb -0.12 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 2atp s LEU 87 CO -0.00 -0.04 -0.13 0.42 -1.32 0.00 0.00 176.35 175.28 2atp s THR 88 N 1.41 3.16 -0.46 3.68 -4.23 -0.62 -0.32 115.64 118.26 2atp s THR 88 Ca 0.03 -0.66 -0.22 0.00 -1.18 0.00 0.00 61.69 59.67 2atp s THR 88 Cb -0.13 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.46 2atp s THR 88 CO -0.10 0.57 0.73 -0.76 -0.54 0.00 0.00 174.62 174.52 2atp s LEU 89 N -0.32 4.40 0.00 4.79 1.02 0.39 -2.22 118.68 126.75 2atp s LEU 89 Ca 0.03 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.88 2atp s LEU 89 Cb -0.13 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.27 2atp s LEU 89 CO 0.02 -0.89 0.25 0.59 0.02 0.00 0.00 176.35 176.35 2atp n ASN 90 N 6.56 0.00 -4.18 2.29 3.02 -0.69 -1.75 115.26 120.51 2atp n ASN 90 Ca -0.00 0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 2atp n ASN 90 Cb 0.48 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.55 2atp n ASN 90 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2atp s LYS 91 N -0.51 2.34 -0.40 3.52 1.02 -1.26 -3.55 119.74 120.90 2atp s LYS 91 Ca 0.00 -1.83 -0.33 0.00 0.02 0.00 0.00 55.97 53.83 2atp s LYS 91 Cb 0.00 -3.82 -0.11 0.00 -0.52 0.00 0.00 37.83 33.39 2atp s LYS 91 CO 0.00 -1.16 2.26 0.34 -0.92 0.00 0.00 175.35 175.87 2atp n PHE 92 N 4.73 1.54 -2.38 3.18 7.35 -0.49 -4.63 117.46 126.77 2atp n PHE 92 Ca -0.05 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2atp n PHE 92 Cb 0.41 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.68 2atp n PHE 92 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2atp n SER 93 N 10.83 0.91 0.19 -2.13 3.41 -1.26 -0.44 113.62 125.13 2atp n SER 93 Ca 0.41 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2atp n SER 93 Cb 0.28 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.38 2atp n SER 93 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2atp h LYS 94 N 0.00 0.00 0.00 4.33 1.63 -1.98 -3.26 116.57 117.29 2atp h LYS 94 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2atp h LYS 94 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2atp h LYS 94 CO 0.00 0.00 -0.08 0.93 -3.45 0.00 0.00 179.45 176.85 2atp h GLU 95 N 0.00 0.00 0.00 1.90 5.08 -1.96 -3.17 114.58 116.43 2atp h GLU 95 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2atp h GLU 95 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2atp h GLU 95 CO 0.00 0.08 -1.29 0.09 -1.00 0.00 0.00 179.01 176.89 2atp n ASN 96 N -3.17 0.62 -4.68 1.42 4.13 -1.23 -4.95 115.26 107.41 2atp n ASN 96 Ca 0.02 0.24 -0.46 0.00 1.68 0.00 0.00 54.58 56.06 2atp n ASN 96 Cb 0.43 0.84 -0.04 0.00 -1.54 0.00 0.00 39.78 39.47 2atp n ASN 96 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2atp n GLU 97 N -2.58 2.40 -2.19 3.52 2.13 -1.20 -4.81 120.64 117.91 2atp n GLU 97 Ca -0.02 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2atp n GLU 97 Cb 0.57 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2atp n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2atp n GLY 98 N 4.22 -0.53 3.45 8.31 0.00 -1.04 -2.32 105.19 117.28 2atp n GLY 98 Ca 0.20 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2atp n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2atp s TYR 99 N -3.43 2.86 0.06 1.61 2.02 -0.11 -0.77 117.35 119.59 2atp s TYR 99 Ca 0.00 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 2atp s TYR 99 Cb 0.00 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2atp s TYR 99 CO 0.00 -0.02 -0.22 0.71 -1.57 0.00 0.00 175.55 174.45 2atp s TYR 100 N 0.00 1.91 0.00 2.71 1.51 -0.63 -0.92 117.35 121.94 2atp s TYR 100 Ca -0.02 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.37 2atp s TYR 100 Cb -0.14 -1.13 0.08 0.00 -0.11 0.00 0.00 41.96 40.67 2atp s TYR 100 CO 0.04 0.12 0.71 -0.59 -1.11 0.00 0.00 175.55 174.72 2atp s PHE 101 N -0.86 -0.56 0.21 2.71 -0.71 -0.97 -0.37 117.98 117.42 2atp s PHE 101 Ca 0.08 0.76 0.08 0.00 -1.04 0.00 0.00 56.93 56.81 2atp s PHE 101 Cb -0.09 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 2atp s PHE 101 CO 0.02 -0.64 0.05 0.00 -1.34 0.00 0.00 175.22 173.31 2atp s SER 103 N -3.30 0.19 0.00 0.00 0.15 0.54 -2.08 113.70 109.20 2atp s SER 103 Ca 0.30 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2atp s SER 103 Cb -0.08 0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2atp s SER 103 CO 0.20 -0.38 -0.03 0.68 1.20 0.00 0.00 173.24 174.91 2atp s VAL 104 N -1.85 0.22 -0.34 4.45 -7.23 -0.89 -1.09 120.40 113.67 2atp s VAL 104 Ca -0.12 -0.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 2atp s VAL 104 Cb -0.06 -0.21 0.02 0.00 0.56 0.00 0.00 36.38 36.68 2atp s VAL 104 CO -0.02 0.01 0.16 -0.63 -0.31 0.00 0.00 175.10 174.31 2atp s ILE 105 N -0.20 4.38 -0.37 -0.62 1.01 -1.26 -0.95 121.20 123.19 2atp s ILE 105 Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2atp s ILE 105 Cb -0.02 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 39.19 2atp s ILE 105 CO -0.00 -0.09 0.12 -0.55 0.00 0.00 0.00 174.94 174.42 2atp s SER 106 N 1.54 5.05 -0.71 3.58 0.15 0.30 -4.58 113.70 119.03 2atp s SER 106 Ca 0.02 -1.87 -0.04 0.00 0.70 0.00 0.00 55.95 54.76 2atp s SER 106 Cb -0.18 -1.75 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2atp s SER 106 CO 0.05 -0.44 0.66 0.59 1.20 0.00 0.00 173.24 175.31 2atp n ASN 107 N 4.52 -6.87 0.00 5.45 3.02 -1.26 -2.58 115.26 117.54 2atp n ASN 107 Ca -0.04 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2atp n ASN 107 Cb 0.42 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 2atp n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2atp n SER 108 N -1.74 -5.37 -4.41 6.41 7.64 -1.26 -4.96 113.62 109.93 2atp n SER 108 Ca -0.08 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.48 2atp n SER 108 Cb 0.56 -3.36 -0.14 0.00 -1.01 0.00 0.00 64.21 60.26 2atp n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2atp s VAL 109 N -0.98 2.69 -0.15 0.44 1.01 -1.07 -5.12 120.40 117.22 2atp s VAL 109 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 2atp s VAL 109 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2atp s VAL 109 CO 0.00 0.58 0.06 -0.04 0.00 0.00 0.00 175.10 175.70 2atp s MET 110 N -0.58 3.69 0.15 2.72 -1.94 -1.26 -0.54 119.30 121.53 2atp s MET 110 Ca 0.08 -0.33 0.11 0.00 -1.71 0.00 0.00 55.69 53.85 2atp s MET 110 Cb -0.11 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 2atp s MET 110 CO 0.01 0.44 -0.25 0.71 -0.01 0.00 0.00 175.02 175.92 2atp s TYR 111 N -0.11 2.34 0.03 -0.03 2.02 -0.13 -5.00 117.35 116.48 2atp s TYR 111 Ca 0.07 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2atp s TYR 111 Cb -0.12 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2atp s TYR 111 CO 0.01 0.39 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.28 2atp s PHE 112 N -1.23 0.39 0.73 2.71 0.40 -1.26 -2.10 117.98 117.62 2atp s PHE 112 Ca 0.16 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.85 2atp s PHE 112 Cb -0.10 -0.27 0.13 0.00 0.51 0.00 0.00 43.02 43.30 2atp s PHE 112 CO 0.08 -0.20 1.01 -1.54 0.70 0.00 0.00 175.22 175.26 2atp s SER 113 N -1.77 4.29 0.89 1.36 1.04 -0.88 -4.59 113.70 114.03 2atp s SER 113 Ca -0.10 -0.35 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 2atp s SER 113 Cb -0.07 -0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.17 2atp s SER 113 CO -0.02 -1.90 1.16 -0.94 0.98 0.00 0.00 173.24 172.51 2atp s SER 114 N -4.75 3.70 -0.32 7.02 1.04 -1.26 -4.78 113.70 114.36 2atp s SER 114 Ca 0.67 0.85 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 2atp s SER 114 Cb -0.05 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.70 2atp s SER 114 CO 0.45 -2.42 0.49 -0.69 0.98 0.00 0.00 173.24 172.05 2atp s VAL 115 N -3.40 5.06 -0.43 5.02 1.01 -1.26 -4.56 120.40 121.83 2atp s VAL 115 Ca 0.64 0.47 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2atp s VAL 115 Cb -0.13 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2atp s VAL 115 CO 0.52 -0.10 0.65 -0.69 0.00 0.00 0.00 175.10 175.48 2atp s VAL 116 N 2.31 4.83 -0.34 2.92 1.01 0.50 -4.89 120.40 126.74 2atp s VAL 116 Ca 0.18 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2atp s VAL 116 Cb -0.16 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2atp s VAL 116 CO 0.12 -0.56 1.15 -2.16 0.00 0.00 0.00 175.10 173.65 2atp s PRO 117 N 2.83 3.96 -1.00 2.72 0.04 -1.26 -1.60 135.00 140.69 2atp s PRO 117 Ca 0.23 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 2atp s PRO 117 Cb -0.14 -3.81 0.25 0.00 0.04 0.00 0.00 34.50 30.84 2atp s PRO 117 CO 0.19 -1.05 0.94 0.08 0.04 0.00 0.00 177.00 177.19 2atp s VAL 118 N 4.00 5.18 0.24 -0.36 1.01 0.05 -1.47 120.40 129.04 2atp s VAL 118 Ca 0.49 -3.62 0.06 0.00 0.00 0.00 0.00 61.98 58.90 2atp s VAL 118 Cb -0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2atp s VAL 118 CO 0.20 -1.13 0.24 -0.76 0.00 0.00 0.00 175.10 173.65 2atp s LEU 119 N -1.28 3.97 -0.08 3.92 1.02 -0.95 -2.51 118.68 122.78 2atp s LEU 119 Ca 0.29 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.20 2atp s LEU 119 Cb -0.09 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.56 2atp s LEU 119 CO -0.10 -0.03 0.24 -1.58 0.02 0.00 0.00 176.35 174.89 2atp s GLN 120 N -3.79 3.62 0.00 1.70 0.74 -1.26 -1.44 119.66 119.23 2atp s GLN 120 Ca 0.33 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.81 2atp s GLN 120 Cb -0.08 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2atp s GLN 120 CO 0.26 0.74 0.03 1.17 -0.55 0.00 0.00 175.29 176.94