#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 2.84 -3.96 0.00 -0.02 -1.21 -4.65 135.00 128.00 2atp n PRO 5 Ca 0.00 1.04 -0.34 0.00 -2.02 0.00 0.00 63.50 62.17 2atp n PRO 5 Cb 0.00 -2.95 -0.14 0.00 -0.02 0.00 0.00 33.50 30.38 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 3.27 2.83 -0.57 -0.52 2.12 -0.68 -4.97 118.70 120.17 2atp s GLU 6 Ca 0.84 -0.98 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 2atp s GLU 6 Cb -0.46 -2.99 0.09 0.00 0.26 0.00 0.00 34.13 31.03 2atp s GLU 6 CO 0.39 -0.40 0.70 -0.51 -0.54 0.00 0.00 175.26 174.90 2atp s LEU 7 N 1.32 5.21 -0.32 2.70 1.02 -1.26 -1.33 118.68 126.02 2atp s LEU 7 Ca 0.00 -1.26 -0.16 0.00 0.02 0.00 0.00 54.13 52.73 2atp s LEU 7 Cb -0.17 -2.35 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 2atp s LEU 7 CO -0.04 -1.08 0.43 -0.60 0.02 0.00 0.00 176.35 175.08 2atp s ARG 8 N 2.77 3.73 0.05 1.70 3.52 0.11 -4.40 118.95 126.43 2atp s ARG 8 Ca 0.13 -0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 2atp s ARG 8 Cb -0.22 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 2atp s ARG 8 CO 0.08 -0.50 0.30 -1.50 -0.81 0.00 0.00 175.30 172.88 2atp s ILE 9 N 2.19 5.25 -0.13 4.11 2.07 -1.26 0.88 121.20 134.31 2atp s ILE 9 Ca 0.16 0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.44 2atp s ILE 9 Cb -0.16 -3.60 0.05 0.00 0.13 0.00 0.00 42.46 38.89 2atp s ILE 9 CO 0.12 0.25 0.32 -0.36 -1.91 0.00 0.00 174.94 173.36 2atp s PHE 10 N -1.42 -0.45 0.50 3.50 0.40 0.06 -4.60 117.98 115.97 2atp s PHE 10 Ca 0.32 1.01 -0.07 0.00 -0.60 0.00 0.00 56.93 57.59 2atp s PHE 10 Cb -0.13 0.15 0.11 0.00 0.51 0.00 0.00 43.02 43.66 2atp s PHE 10 CO 0.20 -0.28 0.68 -0.35 0.70 0.00 0.00 175.22 176.16 2atp n PRO 11 N 4.24 -0.55 0.07 0.24 -0.04 -1.26 0.43 135.00 138.13 2atp n PRO 11 Ca -0.24 -1.14 -0.02 0.00 -0.04 0.00 0.00 63.50 62.06 2atp n PRO 11 Cb 0.54 -0.67 -0.06 0.00 -0.04 0.00 0.00 33.50 33.27 2atp n PRO 11 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2atp h LYS 12 N 0.00 0.00 -3.06 0.54 1.57 -1.96 -3.48 116.57 110.18 2atp h LYS 12 Ca -0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2atp h LYS 12 Cb 0.63 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 2atp h LYS 12 CO 0.16 0.60 0.17 -1.59 -0.57 0.00 0.00 179.45 178.22 2atp s LYS 13 N -2.84 1.27 -0.24 3.15 -2.85 -1.26 -3.96 119.74 113.02 2atp s LYS 13 Ca 0.01 -0.53 -0.04 0.00 -1.00 0.00 0.00 55.97 54.40 2atp s LYS 13 Cb 0.09 0.57 0.13 0.00 -2.06 0.00 0.00 37.83 36.55 2atp s LYS 13 CO 0.79 -0.55 0.41 1.41 0.10 0.00 0.00 175.35 177.51 2atp s MET 14 N -3.77 0.36 -0.33 1.78 1.75 -0.54 -4.98 119.30 113.58 2atp s MET 14 Ca 0.02 0.71 -0.20 0.00 -1.25 0.00 0.00 55.69 54.97 2atp s MET 14 Cb -0.01 -0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.48 2atp s MET 14 CO -0.12 -0.53 0.60 -0.51 -0.65 0.00 0.00 175.02 173.80 2atp s ASP 15 N 2.59 6.43 0.00 1.11 1.01 -1.26 -3.72 116.67 122.83 2atp s ASP 15 Ca 0.09 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.61 2atp s ASP 15 Cb -0.14 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2atp s ASP 15 CO -0.15 -0.50 0.00 0.00 0.21 0.00 0.00 175.17 174.73 2atp n ALA 16 N 5.87 0.00 -3.07 5.23 0.00 -1.11 -5.00 120.51 122.42 2atp n ALA 16 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2atp n ALA 16 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 2atp n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2atp s GLU 17 N -1.23 0.09 0.16 0.00 2.02 -1.26 -4.00 118.70 114.49 2atp s GLU 17 Ca 0.00 0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.83 2atp s GLU 17 Cb 0.00 0.01 -0.17 0.00 0.10 0.00 0.00 34.13 34.07 2atp s GLU 17 CO 0.00 -0.03 0.76 -0.11 0.02 0.00 0.00 175.26 175.90 2atp n LEU 18 N 3.20 -0.34 0.00 1.80 -0.00 -1.26 -0.58 117.00 119.82 2atp n LEU 18 Ca -0.14 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 2atp n LEU 18 Cb 0.58 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2atp n LEU 18 CO 0.23 -2.40 0.00 0.61 -0.00 0.00 0.00 177.39 175.83 2atp n GLY 19 N 1.82 2.85 3.70 -3.96 0.00 -1.22 -4.84 105.19 103.53 2atp n GLY 19 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 4.20 -0.11 1.61 0.74 0.26 -4.17 119.66 122.19 2atp s GLN 20 Ca 0.00 2.36 -0.30 0.00 0.05 0.00 0.00 55.36 57.47 2atp s GLN 20 Cb 0.00 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 2atp s GLN 20 CO 0.00 -0.68 1.24 0.21 -0.55 0.00 0.00 175.29 175.51 2atp s LYS 21 N 1.98 4.28 -0.10 1.67 2.20 -1.25 -2.89 119.74 125.63 2atp s LYS 21 Ca 0.72 1.68 0.01 0.00 -0.36 0.00 0.00 55.97 58.02 2atp s LYS 21 Cb -0.42 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2atp s LYS 21 CO 0.32 -0.59 -0.11 0.08 -0.36 0.00 0.00 175.35 174.68 2atp s VAL 22 N 2.92 3.26 -0.20 4.02 1.01 -0.63 -4.98 120.40 125.82 2atp s VAL 22 Ca 0.56 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2atp s VAL 22 Cb -0.23 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2atp s VAL 22 CO 0.18 0.55 -0.13 -1.81 0.00 0.00 0.00 175.10 173.90 2atp s ASP 23 N -0.17 3.66 -0.11 3.32 1.01 -1.26 -0.64 116.67 122.47 2atp s ASP 23 Ca 0.00 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.71 2atp s ASP 23 Cb -0.13 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 2atp s ASP 23 CO 0.03 -0.01 -0.07 -0.76 0.21 0.00 0.00 175.17 174.57 2atp s LEU 24 N 1.37 3.08 -0.18 1.23 1.43 -0.28 -4.47 118.68 120.87 2atp s LEU 24 Ca 0.05 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2atp s LEU 24 Cb -0.14 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2atp s LEU 24 CO -0.09 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 2atp s VAL 25 N -0.12 2.15 -0.65 -1.59 1.01 0.17 -1.11 120.40 120.26 2atp s VAL 25 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2atp s VAL 25 Cb -0.13 -1.90 0.17 0.00 0.00 0.00 0.00 36.38 34.51 2atp s VAL 25 CO 0.03 0.53 0.59 0.00 0.00 0.00 0.00 175.10 176.26 2atp s GLU 27 N 0.98 3.18 -0.68 0.00 2.12 0.25 -1.54 118.70 123.01 2atp s GLU 27 Ca 0.09 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.55 2atp s GLU 27 Cb -0.22 -4.16 0.12 0.00 0.26 0.00 0.00 34.13 30.13 2atp s GLU 27 CO -0.02 -1.63 0.80 0.54 -0.54 0.00 0.00 175.26 174.40 2atp s VAL 28 N 3.79 4.88 0.51 3.70 0.11 0.16 0.08 120.40 133.64 2atp s VAL 28 Ca 0.23 -1.24 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 2atp s VAL 28 Cb -0.16 -4.55 -0.01 0.00 -1.53 0.00 0.00 36.38 30.13 2atp s VAL 28 CO 0.13 -1.20 0.80 -0.76 -3.33 0.00 0.00 175.10 170.75 2atp s LEU 29 N 2.44 3.49 -0.48 2.54 1.43 -0.44 -4.57 118.68 123.10 2atp s LEU 29 Ca 0.16 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 2atp s LEU 29 Cb -0.19 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.43 2atp s LEU 29 CO 0.02 -0.77 0.62 0.61 0.23 0.00 0.00 176.35 177.06 2atp n GLY 30 N -2.34 -1.07 3.58 -3.19 0.00 -1.26 -1.69 105.19 99.21 2atp n GLY 30 Ca 0.02 1.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.48 4.88 0.00 1.61 0.15 -1.26 -3.33 113.70 113.26 2atp s SER 31 Ca 0.24 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2atp s SER 31 Cb -0.06 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2atp s SER 31 CO 0.79 0.30 0.63 1.33 1.20 0.00 0.00 173.24 177.49 2atp n VAL 32 N 2.69 0.39 0.00 4.45 0.24 -1.26 -5.08 118.33 119.75 2atp n VAL 32 Ca -0.18 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 2atp n VAL 32 Cb 0.53 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 2atp n VAL 32 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2atp n SER 33 N -0.19 0.00 -4.07 -1.34 7.64 -1.26 -5.07 113.62 109.33 2atp n SER 33 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2atp n SER 33 Cb 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2atp n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2atp n GLN 34 N 0.00 0.96 0.00 1.43 6.02 -1.26 -4.88 117.38 119.65 2atp n GLN 34 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.36 2atp n GLN 34 Cb 0.00 0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.70 2atp n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2atp n GLY 35 N 0.22 -2.98 3.02 1.08 0.00 -1.26 -4.25 105.19 101.02 2atp n GLY 35 Ca -0.07 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.70 2.67 -0.13 0.00 0.01 0.19 -1.20 113.70 113.54 2atp s SER 37 Ca -0.11 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 2atp s SER 37 Cb -0.08 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 2atp s SER 37 CO -0.02 0.26 0.18 0.26 0.41 0.00 0.00 173.24 174.34 2atp s TRP 38 N -0.44 3.56 0.08 2.43 0.52 -0.15 0.03 118.94 124.97 2atp s TRP 38 Ca 0.06 0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.80 2atp s TRP 38 Cb -0.10 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 2atp s TRP 38 CO -0.00 0.57 -0.19 -0.51 0.02 0.00 0.00 176.95 176.84 2atp s LEU 39 N -0.56 2.25 -0.04 2.99 1.43 1.00 -1.37 118.68 124.37 2atp s LEU 39 Ca 0.15 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2atp s LEU 39 Cb -0.12 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2atp s LEU 39 CO 0.04 0.06 -0.07 0.12 0.23 0.00 0.00 176.35 176.73 2atp s PHE 40 N -1.06 0.89 -0.72 0.29 5.36 0.27 -2.54 117.98 120.47 2atp s PHE 40 Ca 0.05 -0.26 -0.13 0.00 -0.96 0.00 0.00 56.93 55.62 2atp s PHE 40 Cb -0.09 -0.72 0.19 0.00 -0.34 0.00 0.00 43.02 42.05 2atp s PHE 40 CO 0.03 -0.18 0.65 -0.65 -1.46 0.00 0.00 175.22 173.61 2atp s GLN 41 N 0.70 3.30 0.11 10.12 -1.52 -0.38 0.06 119.66 132.05 2atp s GLN 41 Ca -0.10 -2.24 -0.31 0.00 -1.95 0.00 0.00 55.36 50.76 2atp s GLN 41 Cb -0.13 -4.31 -0.10 0.00 -0.22 0.00 0.00 33.01 28.25 2atp s GLN 41 CO 0.01 -1.29 1.70 1.21 -0.25 0.00 0.00 175.29 176.67 2atp s ASN 42 N 2.44 6.53 0.19 5.90 3.84 -1.26 -2.00 114.94 130.58 2atp s ASN 42 Ca 0.13 2.62 0.18 0.00 0.21 0.00 0.00 52.86 56.01 2atp s ASN 42 Cb -0.17 -2.57 0.83 0.00 -0.55 0.00 0.00 41.25 38.79 2atp s ASN 42 CO -0.05 -0.92 1.55 -1.20 -2.79 0.00 0.00 177.10 173.69 2atp n SER 43 N 5.21 0.43 -3.94 -4.21 7.64 -0.60 -3.36 113.62 114.79 2atp n SER 43 Ca 0.16 0.64 -0.43 0.00 1.01 0.00 0.00 58.87 60.26 2atp n SER 43 Cb 0.39 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2atp n SER 43 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2atp n SER 44 N -2.01 4.66 -0.20 6.43 3.41 -1.26 -4.93 113.62 119.73 2atp n SER 44 Ca 0.01 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 2atp n SER 44 Cb 0.13 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 2atp n SER 44 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2atp n SER 45 N 5.22 0.00 0.00 4.04 7.64 -1.21 -4.64 113.62 124.66 2atp n SER 45 Ca 0.45 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2atp n SER 45 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2atp n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2atp n LYS 46 N 0.00 0.00 -3.54 1.43 0.00 -1.26 -4.86 118.16 109.93 2atp n LYS 46 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.03 2atp n LYS 46 Cb 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 35.03 32.83 2atp n LYS 46 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2atp s LEU 47 N 0.00 1.91 0.00 3.14 0.05 -1.26 -4.95 118.68 117.56 2atp s LEU 47 Ca 0.00 -2.78 0.00 0.00 0.05 0.00 0.00 54.13 51.40 2atp s LEU 47 Cb 0.00 -0.68 0.00 0.00 -2.05 0.00 0.00 46.19 43.46 2atp s LEU 47 CO 0.00 -0.22 0.80 -2.65 -0.55 0.00 0.00 176.35 173.72 2atp n PRO 48 N 3.27 0.91 -3.28 1.48 -0.02 -1.26 -4.69 135.00 131.41 2atp n PRO 48 Ca 0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.30 2atp n PRO 48 Cb 0.40 -1.11 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.76 4.13 0.27 -0.52 0.00 -1.26 -5.03 119.66 115.48 2atp s GLN 49 Ca 0.00 0.67 -0.29 0.00 -0.00 0.00 0.00 55.36 55.73 2atp s GLN 49 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 33.01 29.83 2atp s GLN 49 CO 0.00 0.55 1.15 -2.14 0.00 0.00 0.00 175.29 174.85 2atp s PRO 50 N -1.52 4.57 0.18 9.60 0.02 -1.26 -4.58 135.00 142.00 2atp s PRO 50 Ca 0.34 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.32 2atp s PRO 50 Cb -0.18 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 2atp s PRO 50 CO 0.19 0.09 -0.07 0.95 -0.33 0.00 0.00 177.00 177.84 2atp s THR 51 N -0.92 3.35 -0.03 0.99 -4.23 0.11 -4.86 115.64 110.05 2atp s THR 51 Ca 0.47 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.09 2atp s THR 51 Cb -0.33 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2atp s THR 51 CO 0.42 -0.11 1.09 0.12 -0.54 0.00 0.00 174.62 175.59 2atp s PHE 52 N -1.72 3.46 -0.01 3.99 5.36 -1.26 -0.56 117.98 127.24 2atp s PHE 52 Ca 0.26 1.47 -0.01 0.00 -0.96 0.00 0.00 56.93 57.69 2atp s PHE 52 Cb -0.09 -3.27 -0.00 0.00 -0.34 0.00 0.00 43.02 39.31 2atp s PHE 52 CO 0.16 -0.64 -0.02 0.28 -1.46 0.00 0.00 175.22 173.54 2atp n VAL 53 N 4.26 0.11 -3.93 3.12 0.31 -0.47 -4.67 118.33 117.06 2atp n VAL 53 Ca 0.09 0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 64.73 2atp n VAL 53 Cb 0.48 -1.49 -0.09 0.00 -0.91 0.00 0.00 33.84 31.84 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 -1.14 0.15 -0.07 2.52 1.01 -1.23 -2.40 120.40 119.24 2atp s VAL 54 Ca -0.02 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.74 2atp s VAL 54 Cb 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2atp s VAL 54 CO 0.03 -0.69 -0.11 -0.47 0.00 0.00 0.00 175.10 173.87 2atp s TYR 55 N -3.25 1.40 -0.09 5.22 5.04 -0.41 -0.97 117.35 124.30 2atp s TYR 55 Ca 0.00 -0.55 0.03 0.00 -2.44 0.00 0.00 57.07 54.12 2atp s TYR 55 Cb 0.03 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.27 2atp s TYR 55 CO -0.08 -0.31 -0.20 -1.64 -1.34 0.00 0.00 175.55 171.98 2atp s MET 56 N 0.88 2.55 0.30 4.97 -1.94 -0.34 -0.54 119.30 125.17 2atp s MET 56 Ca -0.11 -0.71 -0.28 0.00 -1.71 0.00 0.00 55.69 52.89 2atp s MET 56 Cb -0.15 -1.97 -0.09 0.00 2.01 0.00 0.00 34.83 34.63 2atp s MET 56 CO 0.01 0.12 1.00 0.00 -0.01 0.00 0.00 175.02 176.15 2atp s ALA 57 N 0.46 3.28 0.29 3.03 0.00 -1.10 -0.17 121.76 127.55 2atp s ALA 57 Ca -0.17 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.56 2atp s ALA 57 Cb -0.17 -3.24 0.43 0.00 0.00 0.00 0.00 23.12 20.13 2atp s ALA 57 CO 0.07 0.03 1.66 0.66 0.00 0.00 0.00 175.76 178.18 2atp h SER 58 N 3.53 0.06 0.00 0.00 4.64 -1.85 -3.40 113.55 116.54 2atp h SER 58 Ca -0.46 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2atp h SER 58 Cb 1.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2atp h SER 58 CO 0.66 0.60 0.00 -0.24 -0.87 0.00 0.00 176.83 176.97 2atp n SER 59 N -3.90 0.00 -4.62 4.97 2.88 -1.26 -4.79 113.62 106.91 2atp n SER 59 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.18 2atp n SER 59 Cb 0.56 -0.39 0.10 0.00 -0.75 0.00 0.00 64.21 63.72 2atp n SER 59 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2atp n HIS 60 N -2.43 0.64 -1.93 0.66 8.25 -1.26 -4.89 115.22 114.26 2atp n HIS 60 Ca 0.00 0.39 -0.37 0.00 -0.26 0.00 0.00 57.72 57.48 2atp n HIS 60 Cb 0.00 -2.06 -0.01 0.00 1.12 0.00 0.00 29.99 29.03 2atp n HIS 60 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2atp n ASN 61 N -2.00 7.54 -4.31 0.41 3.02 -1.26 -4.42 115.26 114.24 2atp n ASN 61 Ca 0.13 -3.25 -0.32 0.00 -0.03 0.00 0.00 54.58 51.11 2atp n ASN 61 Cb 0.50 -1.29 -0.15 0.00 -0.61 0.00 0.00 39.78 38.22 2atp n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2atp s LYS 62 N -1.77 3.22 -0.23 3.52 2.47 -1.26 -5.07 119.74 120.61 2atp s LYS 62 Ca 0.54 -0.77 0.02 0.00 -1.56 0.00 0.00 55.97 54.20 2atp s LYS 62 Cb 0.25 -2.48 0.05 0.00 -1.46 0.00 0.00 37.83 34.19 2atp s LYS 62 CO -0.15 0.21 -0.12 0.42 0.16 0.00 0.00 175.35 175.87 2atp s ILE 63 N 0.32 2.00 -0.38 5.43 -1.09 -1.26 -2.71 121.20 123.52 2atp s ILE 63 Ca -0.14 -1.36 -0.06 0.00 -2.23 0.00 0.00 60.65 56.86 2atp s ILE 63 Cb -0.17 -2.06 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 2atp s ILE 63 CO 0.07 0.11 0.17 -0.89 -1.23 0.00 0.00 174.94 173.17 2atp s THR 64 N 1.21 3.72 0.65 2.92 2.01 0.30 -4.97 115.64 121.47 2atp s THR 64 Ca -0.05 -1.50 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 2atp s THR 64 Cb -0.18 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.07 2atp s THR 64 CO -0.07 -0.42 0.99 0.26 -0.69 0.00 0.00 174.62 174.69 2atp s TRP 65 N 1.32 3.25 0.19 4.92 0.52 -1.26 -1.28 118.94 126.60 2atp s TRP 65 Ca 0.02 0.79 -0.30 0.00 0.02 0.00 0.00 56.10 56.63 2atp s TRP 65 Cb -0.22 -2.92 -0.08 0.00 -1.15 0.00 0.00 33.47 29.10 2atp s TRP 65 CO 0.00 -1.03 1.22 0.34 0.02 0.00 0.00 176.95 177.50 2atp s ASP 66 N -4.35 7.05 0.57 2.95 2.15 -1.01 -4.89 116.67 119.15 2atp s ASP 66 Ca 0.56 2.26 0.26 0.00 0.43 0.00 0.00 52.55 56.07 2atp s ASP 66 Cb -0.11 -2.61 1.62 0.00 -0.30 0.00 0.00 42.92 41.53 2atp s ASP 66 CO 0.48 -0.40 2.16 1.05 -0.17 0.00 0.00 175.17 178.30 2atp h GLU 67 N 5.25 0.00 -0.51 4.34 -0.00 -1.94 0.19 114.58 121.90 2atp h GLU 67 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2atp h GLU 67 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2atp h GLU 67 CO 0.75 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 181.39 2atp n LYS 68 N -4.02 1.90 0.00 1.06 5.02 -1.26 -2.96 118.16 117.90 2atp n LYS 68 Ca -0.01 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 2atp n LYS 68 Cb 0.20 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2atp n LYS 68 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2atp n LEU 69 N 0.22 0.00 0.00 -0.35 7.94 0.46 -5.01 117.00 120.26 2atp n LEU 69 Ca 0.09 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2atp n LEU 69 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2atp n LEU 69 CO 0.08 0.04 0.00 -0.46 -1.11 0.00 0.00 177.39 175.94 2atp n ASN 70 N 0.00 0.00 -2.50 1.96 2.04 -0.09 -2.60 115.26 114.07 2atp n ASN 70 Ca 0.00 0.00 -0.23 0.00 -0.44 0.00 0.00 54.58 53.91 2atp n ASN 70 Cb 0.30 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.56 2atp n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2atp n SER 71 N -0.41 3.99 0.00 0.53 7.64 -1.26 -4.98 113.62 119.12 2atp n SER 71 Ca 0.00 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.40 2atp n SER 71 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2atp n SER 71 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2atp n SER 72 N -0.41 0.00 -0.03 6.43 3.41 -1.07 -5.07 113.62 116.88 2atp n SER 72 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2atp n SER 72 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2atp n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2atp n LYS 73 N 0.00 0.00 0.10 4.33 5.02 -1.26 -4.99 118.16 121.35 2atp n LYS 73 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2atp n LYS 73 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 2atp n LYS 73 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2atp h LEU 74 N 0.00 0.12 -8.83 -0.35 3.38 -1.95 -3.44 115.31 104.23 2atp h LEU 74 Ca 0.00 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.50 2atp h LEU 74 Cb 0.12 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.69 2atp h LEU 74 CO 0.00 0.83 -0.69 -0.36 0.09 0.00 0.00 178.44 178.31 2atp s PHE 75 N -3.36 1.52 0.01 1.13 0.40 -1.26 -1.94 117.98 114.49 2atp s PHE 75 Ca -0.02 -0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 55.47 2atp s PHE 75 Cb 0.11 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 2atp s PHE 75 CO 0.80 0.10 0.08 -1.54 0.70 0.00 0.00 175.22 175.36 2atp s SER 76 N -3.28 0.11 0.12 1.36 1.04 -0.76 -4.91 113.70 107.39 2atp s SER 76 Ca 0.24 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2atp s SER 76 Cb 0.03 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2atp s SER 76 CO 0.06 -0.37 -0.09 0.00 0.98 0.00 0.00 173.24 173.82 2atp s ALA 77 N -1.57 1.23 0.15 5.32 0.00 -1.26 -0.76 121.76 124.87 2atp s ALA 77 Ca -0.14 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 2atp s ALA 77 Cb -0.07 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2atp s ALA 77 CO 0.00 -0.12 0.50 -1.64 0.00 0.00 0.00 175.76 174.50 2atp s MET 78 N -3.53 1.21 -0.29 0.00 -1.94 -0.73 -5.03 119.30 108.99 2atp s MET 78 Ca 0.12 -0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 2atp s MET 78 Cb 0.02 0.53 0.10 0.00 2.01 0.00 0.00 34.83 37.48 2atp s MET 78 CO -0.01 -0.51 0.12 0.50 -0.01 0.00 0.00 175.02 175.11 2atp s ARG 79 N -3.80 0.33 -0.06 2.03 3.52 -1.26 -1.10 118.95 118.61 2atp s ARG 79 Ca 0.03 -0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 54.79 2atp s ARG 79 Cb 0.00 -1.41 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 2atp s ARG 79 CO -0.10 -1.00 0.50 0.16 -0.81 0.00 0.00 175.30 174.05 2atp s ASP 80 N 1.97 6.80 0.82 -2.12 -4.77 -1.01 -4.84 116.67 113.52 2atp s ASP 80 Ca 0.09 0.96 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 2atp s ASP 80 Cb -0.16 -2.30 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2atp s ASP 80 CO -0.33 0.10 0.00 1.07 0.70 0.00 0.00 175.17 176.71 2atp n THR 81 N 2.98 0.00 0.26 2.11 5.66 -1.26 -3.20 114.28 120.82 2atp n THR 81 Ca -0.08 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.94 2atp n THR 81 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 2atp n THR 81 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2atp n ASN 82 N -1.86 0.30 -0.07 1.09 6.94 -1.26 -4.72 115.26 115.68 2atp n ASN 82 Ca 0.00 -0.65 0.01 0.00 -0.02 0.00 0.00 54.58 53.92 2atp n ASN 82 Cb 0.00 0.96 0.01 0.00 -2.36 0.00 0.00 39.78 38.40 2atp n ASN 82 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2atp n ASN 83 N -1.08 1.74 -4.25 0.53 6.94 -1.26 -4.74 115.26 113.15 2atp n ASN 83 Ca 0.01 -1.64 -0.34 0.00 -0.02 0.00 0.00 54.58 52.59 2atp n ASN 83 Cb 0.09 -0.02 -0.15 0.00 -2.36 0.00 0.00 39.78 37.34 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 -0.66 3.22 -0.33 -3.83 1.02 -1.19 -0.67 119.74 117.29 2atp s LYS 84 Ca 0.03 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 2atp s LYS 84 Cb 0.01 -2.71 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2atp s LYS 84 CO 0.02 -0.08 0.05 0.71 -0.92 0.00 0.00 175.35 175.14 2atp s TYR 85 N 1.06 3.41 -0.13 3.18 1.51 -0.59 -2.41 117.35 123.38 2atp s TYR 85 Ca -0.00 -2.17 -0.21 0.00 -1.01 0.00 0.00 57.07 53.67 2atp s TYR 85 Cb -0.15 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2atp s TYR 85 CO -0.03 -0.87 0.60 0.08 -1.11 0.00 0.00 175.55 174.22 2atp s VAL 86 N 1.17 5.08 -0.11 0.71 1.01 -0.26 -1.98 120.40 126.02 2atp s VAL 86 Ca -0.00 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.17 2atp s VAL 86 Cb -0.20 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2atp s VAL 86 CO -0.03 0.22 -0.11 -0.22 0.00 0.00 0.00 175.10 174.97 2atp s LEU 87 N 1.15 2.87 -0.15 3.92 2.96 -0.27 -1.77 118.68 127.38 2atp s LEU 87 Ca 0.31 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2atp s LEU 87 Cb -0.16 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.91 2atp s LEU 87 CO 0.13 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.32 2atp s THR 88 N 0.04 1.75 -0.77 3.68 2.01 0.06 -1.13 115.64 121.27 2atp s THR 88 Ca -0.03 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 60.98 2atp s THR 88 Cb -0.14 -1.60 0.06 0.00 0.01 0.00 0.00 72.50 70.83 2atp s THR 88 CO 0.04 0.49 1.17 -0.76 -0.69 0.00 0.00 174.62 174.87 2atp s LEU 89 N 1.30 3.88 0.14 4.42 1.02 0.18 -1.83 118.68 127.79 2atp s LEU 89 Ca 0.02 -0.98 -0.27 0.00 0.02 0.00 0.00 54.13 52.93 2atp s LEU 89 Cb -0.13 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.56 2atp s LEU 89 CO -0.09 -1.56 1.59 0.78 0.02 0.00 0.00 176.35 177.09 2atp h ASN 90 N 9.69 -1.19 -3.27 2.29 -0.26 -1.67 -1.67 115.58 119.51 2atp h ASN 90 Ca -0.16 0.17 -0.57 0.00 -0.56 0.00 0.00 56.30 55.18 2atp h ASN 90 Cb 1.05 0.50 -0.37 0.00 -1.06 0.00 0.00 38.32 38.44 2atp h ASN 90 CO 1.25 -0.38 -0.81 -0.54 -1.06 0.00 0.00 177.43 175.89 2atp s LYS 91 N -5.94 1.73 -0.63 0.81 1.02 -1.26 -3.86 119.74 111.61 2atp s LYS 91 Ca -0.15 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.14 2atp s LYS 91 Cb 0.11 -2.00 -0.15 0.00 -0.52 0.00 0.00 37.83 35.27 2atp s LYS 91 CO 0.65 -0.35 1.84 0.34 -0.92 0.00 0.00 175.35 176.92 2atp n PHE 92 N 4.84 1.32 -1.81 3.18 -0.00 -1.14 -4.75 117.46 119.10 2atp n PHE 92 Ca -0.13 -1.55 -0.13 0.00 -0.00 0.00 0.00 57.45 55.64 2atp n PHE 92 Cb 0.48 -1.47 0.08 0.00 -0.00 0.00 0.00 39.48 38.58 2atp n PHE 92 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2atp n SER 93 N 6.69 0.28 -0.19 -2.13 3.41 -1.26 -3.46 113.62 116.95 2atp n SER 93 Ca 0.44 -1.35 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 2atp n SER 93 Cb 0.31 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 2atp n SER 93 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2atp h LYS 94 N 0.00 1.04 0.00 4.33 1.57 -2.00 -2.66 116.57 118.85 2atp h LYS 94 Ca -0.18 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2atp h LYS 94 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2atp h LYS 94 CO 0.15 1.05 0.00 0.39 -0.57 0.00 0.00 179.45 180.48 2atp n GLU 95 N -4.18 0.05 -2.53 3.15 1.02 -1.26 -2.44 120.64 114.45 2atp n GLU 95 Ca 0.02 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 2atp n GLU 95 Cb 0.38 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 2atp n GLU 95 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2atp n ASN 96 N -1.05 2.84 -4.28 1.62 3.02 -1.00 -5.06 115.26 111.35 2atp n ASN 96 Ca 0.01 -2.72 -0.33 0.00 -0.03 0.00 0.00 54.58 51.52 2atp n ASN 96 Cb 0.01 -0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 38.59 2atp n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2atp s GLU 97 N -3.69 3.21 0.00 3.52 2.12 -1.02 -4.78 118.70 118.06 2atp s GLU 97 Ca 0.36 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.92 2atp s GLU 97 Cb 0.36 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2atp s GLU 97 CO -0.01 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2atp n GLY 98 N 3.74 -0.52 3.49 -1.50 0.00 0.28 -1.55 105.19 109.14 2atp n GLY 98 Ca -0.19 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.80 2.71 0.03 1.61 1.51 -0.85 0.03 117.35 118.59 2atp s TYR 99 Ca 0.00 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 2atp s TYR 99 Cb 0.00 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2atp s TYR 99 CO 0.00 0.23 -0.12 0.71 -1.11 0.00 0.00 175.55 175.27 2atp s TYR 100 N -0.82 1.04 0.07 2.71 1.51 0.20 -1.25 117.35 120.81 2atp s TYR 100 Ca 0.13 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.60 2atp s TYR 100 Cb -0.11 -0.63 0.09 0.00 -0.11 0.00 0.00 41.96 41.20 2atp s TYR 100 CO 0.03 0.01 0.78 -0.59 -1.11 0.00 0.00 175.55 174.66 2atp s PHE 101 N -0.78 -0.41 0.28 2.71 -0.71 -1.05 0.88 117.98 118.90 2atp s PHE 101 Ca 0.00 0.24 0.12 0.00 -1.04 0.00 0.00 56.93 56.25 2atp s PHE 101 Cb -0.07 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 2atp s PHE 101 CO 0.01 -0.68 -0.19 0.00 -1.34 0.00 0.00 175.22 173.02 2atp s SER 103 N -3.52 0.15 0.00 0.00 0.15 0.10 -2.50 113.70 108.08 2atp s SER 103 Ca 0.30 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2atp s SER 103 Cb -0.05 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2atp s SER 103 CO 0.15 -0.45 -0.06 0.68 1.20 0.00 0.00 173.24 174.76 2atp s VAL 104 N -2.16 0.50 -0.15 4.45 -7.23 -0.98 -0.64 120.40 114.19 2atp s VAL 104 Ca -0.09 -0.35 -0.07 0.00 -1.81 0.00 0.00 61.98 59.66 2atp s VAL 104 Cb -0.04 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2atp s VAL 104 CO -0.03 0.09 0.11 -0.63 -0.31 0.00 0.00 175.10 174.33 2atp s ILE 105 N -0.26 5.24 -0.24 -0.62 -1.09 -1.26 -1.74 121.20 121.23 2atp s ILE 105 Ca 0.01 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 2atp s ILE 105 Cb -0.03 -3.32 0.13 0.00 -1.58 0.00 0.00 42.46 37.66 2atp s ILE 105 CO -0.00 0.55 0.37 -0.55 -1.23 0.00 0.00 174.94 174.08 2atp s SER 106 N -0.46 0.24 -1.23 3.58 0.15 -0.20 -4.54 113.70 111.25 2atp s SER 106 Ca 0.11 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 57.04 2atp s SER 106 Cb -0.12 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2atp s SER 106 CO 0.02 -0.29 0.96 0.59 1.20 0.00 0.00 173.24 175.71 2atp n ASN 107 N 5.36 -2.11 -1.15 5.45 3.02 -1.26 -2.39 115.26 122.19 2atp n ASN 107 Ca -0.04 -0.65 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 2atp n ASN 107 Cb 0.50 -4.94 -0.06 0.00 -0.61 0.00 0.00 39.78 34.67 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 -3.11 -5.21 -4.51 6.41 7.64 -1.26 -4.99 113.62 108.59 2atp n SER 108 Ca -0.28 0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.68 2atp n SER 108 Cb 0.67 -4.02 -0.11 0.00 -1.01 0.00 0.00 64.21 59.73 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 -2.42 2.99 -0.19 0.44 1.01 -1.00 -5.12 120.40 116.10 2atp s VAL 109 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 2atp s VAL 109 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2atp s VAL 109 CO 0.00 0.16 -0.02 -0.32 0.00 0.00 0.00 175.10 174.93 2atp s MET 110 N -1.98 3.61 -0.02 2.72 1.75 -1.26 -1.03 119.30 123.08 2atp s MET 110 Ca 0.18 -0.53 0.06 0.00 -1.25 0.00 0.00 55.69 54.14 2atp s MET 110 Cb -0.11 -3.01 -0.03 0.00 2.84 0.00 0.00 34.83 34.53 2atp s MET 110 CO 0.10 0.08 -0.19 0.71 -0.65 0.00 0.00 175.02 175.07 2atp s TYR 111 N 0.81 2.56 0.15 4.11 2.02 -0.71 -5.01 117.35 121.28 2atp s TYR 111 Ca -0.00 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 2atp s TYR 111 Cb -0.14 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2atp s TYR 111 CO 0.02 0.13 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.89 2atp s PHE 112 N -0.73 1.74 0.41 2.71 0.40 -1.26 -2.33 117.98 118.91 2atp s PHE 112 Ca 0.12 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 2atp s PHE 112 Cb -0.10 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.55 2atp s PHE 112 CO 0.01 0.28 0.56 -1.54 0.70 0.00 0.00 175.22 175.23 2atp s SER 113 N -2.51 5.71 0.56 1.36 1.04 -1.04 -4.58 113.70 114.24 2atp s SER 113 Ca 0.13 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 56.04 2atp s SER 113 Cb -0.06 -0.81 -0.05 0.00 0.10 0.00 0.00 66.02 65.19 2atp s SER 113 CO 0.06 -0.71 1.15 -0.44 0.98 0.00 0.00 173.24 174.28 2atp s SER 114 N -4.31 5.52 0.39 7.02 0.01 -1.26 -4.71 113.70 116.35 2atp s SER 114 Ca 0.53 2.24 -0.24 0.00 1.31 0.00 0.00 55.95 59.78 2atp s SER 114 Cb -0.10 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 2atp s SER 114 CO 0.33 -1.36 1.04 -0.69 0.41 0.00 0.00 173.24 172.97 2atp s VAL 115 N -1.74 3.78 -0.18 3.43 1.01 -1.26 -4.66 120.40 120.78 2atp s VAL 115 Ca 0.74 1.38 -0.00 0.00 0.00 0.00 0.00 61.98 64.09 2atp s VAL 115 Cb -0.26 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2atp s VAL 115 CO 0.29 0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 2atp s VAL 116 N -1.65 2.55 -0.23 2.92 1.01 0.25 -4.92 120.40 120.32 2atp s VAL 116 Ca 0.57 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2atp s VAL 116 Cb -0.22 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2atp s VAL 116 CO 0.27 0.50 1.09 -2.84 0.00 0.00 0.00 175.10 174.13 2atp s PRO 117 N 1.22 4.22 -0.42 2.72 0.02 -1.25 -0.63 135.00 140.87 2atp s PRO 117 Ca 0.03 1.38 0.02 0.00 0.02 0.00 0.00 61.00 62.44 2atp s PRO 117 Cb -0.14 -3.68 0.15 0.00 0.02 0.00 0.00 34.50 30.85 2atp s PRO 117 CO -0.07 -0.69 0.27 0.08 -0.33 0.00 0.00 177.00 176.26 2atp s VAL 118 N 3.34 0.89 0.07 3.83 1.01 0.10 -1.46 120.40 128.17 2atp s VAL 118 Ca 0.46 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2atp s VAL 118 Cb -0.16 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2atp s VAL 118 CO 0.09 -1.00 0.01 0.18 0.00 0.00 0.00 175.10 174.38 2atp n LEU 119 N 3.46 0.00 0.00 3.92 7.99 -1.24 -0.56 117.00 130.57 2atp n LEU 119 Ca 0.15 -0.44 -0.19 0.00 -0.01 0.00 0.00 56.01 55.51 2atp n LEU 119 Cb 0.38 0.08 0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2atp n LEU 119 CO 0.18 -0.06 0.17 0.00 -1.51 0.00 0.00 177.39 176.17 2atp n GLN 120 N -0.16 0.74 -3.45 3.23 10.64 -1.26 -2.77 117.38 124.36 2atp n GLN 120 Ca -0.02 -2.78 -0.20 0.00 -1.83 0.00 0.00 57.00 52.17 2atp n GLN 120 Cb 0.09 0.08 -0.02 0.00 -0.86 0.00 0.00 30.24 29.53 2atp n GLN 120 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2atp n LYS 121 N -1.80 1.01 0.00 2.61 4.76 -1.26 -4.84 118.16 118.65 2atp n LYS 121 Ca 0.05 -2.49 0.04 0.00 -2.87 0.00 0.00 58.31 53.04 2atp n LYS 121 Cb 0.52 0.45 0.03 0.00 -1.84 0.00 0.00 35.03 34.19 2atp n LYS 121 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31