#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lul s ASP 2 N 0.00 6.36 0.02 0.00 1.01 0.38 -4.93 116.67 119.50 1lul s ASP 2 Ca 0.00 0.41 0.07 0.00 0.71 0.00 0.00 52.55 53.75 1lul s ASP 2 Cb 0.00 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1lul s ASP 2 CO 0.00 0.10 -0.22 -0.63 0.21 0.00 0.00 175.17 174.62 1lul s ILE 3 N 0.57 1.79 -0.04 0.77 1.09 -1.26 -0.84 121.20 123.28 1lul s ILE 3 Ca 0.14 -1.13 -0.01 0.00 -1.10 0.00 0.00 60.65 58.55 1lul s ILE 3 Cb -0.13 -1.52 0.03 0.00 -1.06 0.00 0.00 42.46 39.79 1lul s ILE 3 CO 0.03 0.36 0.08 -1.10 -0.10 0.00 0.00 174.94 174.21 1lul s GLN 4 N -0.91 -0.01 0.13 2.79 -0.21 -1.02 -5.01 119.66 115.41 1lul s GLN 4 Ca 0.09 0.31 -0.14 0.00 0.02 0.00 0.00 55.36 55.64 1lul s GLN 4 Cb -0.09 -0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.65 1lul s GLN 4 CO 0.01 -0.22 0.36 -1.54 -2.12 0.00 0.00 175.29 171.77 1lul s SER 5 N 1.48 -0.14 0.12 5.90 1.04 -1.26 -1.00 113.70 119.84 1lul s SER 5 Ca -0.05 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 1lul s SER 5 Cb -0.12 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1lul s SER 5 CO -0.04 -0.85 0.78 0.72 0.98 0.00 0.00 173.24 174.83 1lul s PHE 6 N -3.84 -0.35 -0.18 5.02 -0.12 0.07 -4.98 117.98 113.59 1lul s PHE 6 Ca 0.05 0.11 -0.08 0.00 -0.05 0.00 0.00 56.93 56.96 1lul s PHE 6 Cb 0.02 0.59 0.07 0.00 -0.63 0.00 0.00 43.02 43.08 1lul s PHE 6 CO -0.10 -0.80 0.42 0.45 -0.05 0.00 0.00 175.22 175.14 1lul s SER 7 N -2.72 -0.40 -0.06 1.98 0.15 -1.26 -1.10 113.70 110.29 1lul s SER 7 Ca 0.06 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.71 1lul s SER 7 Cb -0.02 1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1lul s SER 7 CO -0.06 -0.21 -0.21 -0.36 1.20 0.00 0.00 173.24 173.60 1lul s PHE 8 N 1.95 2.13 -0.03 3.44 0.08 0.04 -4.97 117.98 120.61 1lul s PHE 8 Ca -0.06 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.37 1lul s PHE 8 Cb -0.10 -1.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.85 1lul s PHE 8 CO -0.13 -0.24 0.07 0.36 -0.10 0.00 0.00 175.22 175.19 1lul n LYS 9 N 3.17 1.73 -3.79 0.44 2.85 -1.26 -1.49 118.16 119.81 1lul n LYS 9 Ca -0.18 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.76 1lul n LYS 9 Cb 0.52 -1.15 -0.15 0.00 -0.65 0.00 0.00 35.03 33.60 1lul n LYS 9 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1lul s ASN 10 N -3.24 3.76 0.43 -5.58 6.03 -1.26 -4.68 114.94 110.40 1lul s ASN 10 Ca -0.03 -1.38 -0.24 0.00 -1.03 0.00 0.00 52.86 50.19 1lul s ASN 10 Cb 0.03 -0.90 -0.08 0.00 -3.03 0.00 0.00 41.25 37.27 1lul s ASN 10 CO 0.25 -0.35 1.13 -0.36 -2.03 0.00 0.00 177.10 175.73 1lul s PHE 11 N 1.59 3.03 -0.62 1.54 0.40 -1.22 -5.00 117.98 117.71 1lul s PHE 11 Ca 0.04 1.57 0.14 0.00 -0.60 0.00 0.00 56.93 58.08 1lul s PHE 11 Cb -0.18 -3.30 0.72 0.00 0.51 0.00 0.00 43.02 40.77 1lul s PHE 11 CO -0.16 -1.19 1.61 -1.13 0.70 0.00 0.00 175.22 175.04 1lul n SER 14 N -0.28 4.99 -0.55 1.36 3.41 -1.26 -4.19 113.62 117.10 1lul n SER 14 Ca 0.06 -2.69 0.05 0.00 -0.26 0.00 0.00 58.87 56.03 1lul n SER 14 Cb 0.48 -0.63 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1lul n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lul n SER 15 N 0.73 1.59 -4.28 4.04 7.64 -1.26 -4.84 113.62 117.24 1lul n SER 15 Ca 0.25 -1.99 -0.24 0.00 1.01 0.00 0.00 58.87 57.89 1lul n SER 15 Cb 1.01 -0.20 -0.13 0.00 -1.01 0.00 0.00 64.21 63.89 1lul n SER 15 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1lul s PHE 16 N -1.61 1.79 -0.24 1.43 0.40 -1.26 -0.59 117.98 117.90 1lul s PHE 16 Ca 0.20 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1lul s PHE 16 Cb 0.11 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.61 1lul s PHE 16 CO 0.14 0.18 0.04 0.42 0.70 0.00 0.00 175.22 176.69 1lul s ILE 17 N -1.07 4.08 -0.06 0.64 1.01 0.25 -4.84 121.20 121.20 1lul s ILE 17 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1lul s ILE 17 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1lul s ILE 17 CO 0.04 0.37 0.05 -0.76 0.00 0.00 0.00 174.94 174.64 1lul s LEU 18 N 1.48 3.83 0.00 2.97 1.43 -1.26 -0.57 118.68 126.56 1lul s LEU 18 Ca 0.06 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1lul s LEU 18 Cb -0.15 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1lul s LEU 18 CO 0.02 0.35 -0.09 -1.10 0.23 0.00 0.00 176.35 175.75 1lul s GLN 19 N -1.19 0.73 4.83 1.70 -0.21 -0.02 -5.00 119.66 120.50 1lul s GLN 19 Ca 0.17 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1lul s GLN 19 Cb -0.12 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.20 1lul s GLN 19 CO 0.06 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 1lul n GLY 20 N 2.61 1.58 0.00 3.09 0.00 -1.26 -1.50 105.19 109.71 1lul n GLY 20 Ca -0.15 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.32 1lul n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lul n ASP 21 N 1.53 0.00 -4.63 1.61 8.00 0.17 -4.85 116.55 118.38 1lul n ASP 21 Ca 0.00 -0.34 -0.48 0.00 0.71 0.00 0.00 54.79 54.68 1lul n ASP 21 Cb 0.00 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1lul n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lul n ALA 22 N -1.13 0.25 -3.35 2.24 0.00 -1.11 -4.60 120.51 112.81 1lul n ALA 22 Ca 0.12 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1lul n ALA 22 Cb 0.11 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 1lul n ALA 22 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1lul s THR 23 N 0.49 0.02 -0.08 0.00 -1.32 -0.35 -4.71 115.64 109.69 1lul s THR 23 Ca 0.79 -0.20 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 1lul s THR 23 Cb -0.79 -0.95 -0.00 0.00 -1.51 0.00 0.00 72.50 69.24 1lul s THR 23 CO 0.44 -0.11 -0.24 0.54 -2.21 0.00 0.00 174.62 173.04 1lul s VAL 24 N -2.12 2.05 -0.27 5.08 0.11 -1.26 0.97 120.40 124.96 1lul s VAL 24 Ca -0.07 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 57.70 1lul s VAL 24 Cb -0.01 -1.76 0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1lul s VAL 24 CO 0.01 0.56 0.76 -0.94 -3.33 0.00 0.00 175.10 172.16 1lul s SER 25 N 0.16 -0.71 -0.59 3.54 1.04 -1.01 -4.88 113.70 111.25 1lul s SER 25 Ca -0.13 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1lul s SER 25 Cb -0.16 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.35 1lul s SER 25 CO 0.07 -0.24 0.00 -1.20 0.98 0.00 0.00 173.24 172.85 1lul n SER 26 N 2.63 -3.17 -3.68 7.02 7.64 -1.26 -2.96 113.62 119.84 1lul n SER 26 Ca -0.14 0.08 -0.25 0.00 1.01 0.00 0.00 58.87 59.58 1lul n SER 26 Cb 0.55 -1.79 0.06 0.00 -1.01 0.00 0.00 64.21 62.03 1lul n SER 26 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1lul n SER 27 N 0.93 -4.94 -3.71 6.43 2.88 -1.26 -4.99 113.62 108.97 1lul n SER 27 Ca -0.07 -0.64 -0.12 0.00 -1.33 0.00 0.00 58.87 56.71 1lul n SER 27 Cb 0.36 -4.63 -0.10 0.00 -0.75 0.00 0.00 64.21 59.08 1lul n SER 27 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1lul s LYS 28 N -6.26 0.44 -0.24 -1.46 -2.85 -1.15 -3.39 119.74 104.84 1lul s LYS 28 Ca 0.49 0.68 -0.29 0.00 -1.00 0.00 0.00 55.97 55.84 1lul s LYS 28 Cb -0.23 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 1lul s LYS 28 CO 0.77 -0.11 1.35 -1.17 0.10 0.00 0.00 175.35 176.29 1lul s LEU 29 N 0.80 3.99 -0.44 2.77 0.20 -0.58 -2.40 118.68 123.02 1lul s LEU 29 Ca -0.05 1.46 -0.07 0.00 0.69 0.00 0.00 54.13 56.16 1lul s LEU 29 Cb -0.06 -3.54 0.11 0.00 -0.43 0.00 0.00 46.19 42.27 1lul s LEU 29 CO -0.06 -1.00 0.27 0.00 -0.29 0.00 0.00 176.35 175.27 1lul s ARG 30 N 4.03 2.32 0.31 1.98 3.03 0.27 0.29 118.95 131.18 1lul s ARG 30 Ca 0.59 -1.73 0.11 0.00 2.03 0.00 0.00 55.73 56.73 1lul s ARG 30 Cb -0.20 -3.76 0.48 0.00 -1.03 0.00 0.00 34.95 30.45 1lul s ARG 30 CO 0.22 -1.10 1.69 -0.07 -1.13 0.00 0.00 175.30 174.91 1lul h LEU 31 N 8.28 0.02 -9.45 -1.89 3.38 -0.95 -0.91 115.31 113.79 1lul h LEU 31 Ca -0.18 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.20 1lul h LEU 31 Cb 1.06 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1lul h LEU 31 CO 0.78 0.54 -0.68 0.42 0.09 0.00 0.00 178.44 179.59 1lul s THR 32 N -3.83 2.99 0.61 0.22 -4.23 -1.25 -2.97 115.64 107.18 1lul s THR 32 Ca -0.02 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 1lul s THR 32 Cb 0.13 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1lul s THR 32 CO 0.75 -0.36 1.28 -0.75 -0.54 0.00 0.00 174.62 175.01 1lul s LYS 33 N -3.63 2.80 -0.05 3.99 2.36 -1.26 -4.78 119.74 119.17 1lul s LYS 33 Ca 0.31 2.04 -0.02 0.00 -2.55 0.00 0.00 55.97 55.75 1lul s LYS 33 Cb -0.05 -1.96 0.03 0.00 -1.05 0.00 0.00 37.83 34.81 1lul s LYS 33 CO 0.18 -1.40 0.11 0.08 1.55 0.00 0.00 175.35 175.87 1lul s VAL 34 N -1.42 -0.05 1.20 4.02 1.01 -1.26 -3.26 120.40 120.63 1lul s VAL 34 Ca 0.79 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.77 1lul s VAL 34 Cb -0.36 -0.19 0.28 0.00 0.00 0.00 0.00 36.38 36.11 1lul s VAL 34 CO 0.40 0.08 1.10 -0.54 0.00 0.00 0.00 175.10 176.13 1lul s LYS 35 N 1.10 -1.20 0.19 2.72 1.02 0.08 -4.84 119.74 118.81 1lul s LYS 35 Ca -0.09 -0.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 1lul s LYS 35 Cb -0.12 -1.59 0.11 0.00 -0.52 0.00 0.00 37.83 35.71 1lul s LYS 35 CO -0.05 -3.71 1.78 0.78 -0.92 0.00 0.00 175.35 173.23 1lul h GLY 36 N -2.58 1.04 2.00 -3.33 0.00 -1.98 -1.11 103.07 97.11 1lul h GLY 36 Ca -0.46 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1lul h GLY 36 CO 0.36 0.49 0.00 3.45 0.00 0.00 0.00 176.54 180.84 1lul h ASN 37 N 0.94 0.00 0.00 0.19 7.08 -2.01 -3.45 115.58 118.33 1lul h ASN 37 Ca 0.23 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.45 1lul h ASN 37 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 1lul h ASN 37 CO -0.03 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.93 1lul n GLY 38 N -0.88 0.87 3.90 9.14 0.00 -0.42 -5.09 105.19 112.71 1lul n GLY 38 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1lul n GLY 38 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1lul s LEU 39 N 0.00 4.07 0.00 0.99 -0.00 -1.26 -4.76 118.68 117.71 1lul s LEU 39 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 54.13 54.84 1lul s LEU 39 Cb 0.00 -3.52 0.00 0.00 -0.00 0.00 0.00 46.19 42.67 1lul s LEU 39 CO 0.00 -0.18 0.00 -2.65 -0.00 0.00 0.00 176.35 173.52 1lul n PRO 40 N -0.89 0.18 -3.70 1.48 -0.02 -1.26 -0.74 135.00 130.05 1lul n PRO 40 Ca -0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 1lul n PRO 40 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 1lul n PRO 40 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1lul s THR 41 N -0.35 -0.01 0.51 3.45 2.01 -1.20 -4.22 115.64 115.81 1lul s THR 41 Ca 0.00 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1lul s THR 41 Cb 0.00 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.78 1lul s THR 41 CO 0.00 0.02 1.02 -1.48 -0.69 0.00 0.00 174.62 173.49 1lul s LEU 42 N 0.88 3.74 -1.21 4.42 -0.00 -1.26 -4.06 118.68 121.19 1lul s LEU 42 Ca -0.05 1.80 -0.02 0.00 -0.00 0.00 0.00 54.13 55.85 1lul s LEU 42 Cb -0.06 -4.54 -0.01 0.00 -0.00 0.00 0.00 46.19 41.58 1lul s LEU 42 CO -0.07 -0.76 0.86 -1.20 -0.00 0.00 0.00 176.35 175.17 1lul n SER 43 N -1.27 -2.65 -4.60 1.48 7.64 0.26 -5.00 113.62 109.48 1lul n SER 43 Ca 0.08 -0.74 -0.24 0.00 1.01 0.00 0.00 58.87 58.98 1lul n SER 43 Cb 0.53 -4.62 -0.08 0.00 -1.01 0.00 0.00 64.21 59.03 1lul n SER 43 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1lul s SER 44 N -4.15 4.36 -0.29 6.43 0.15 -1.26 -4.98 113.70 113.97 1lul s SER 44 Ca 0.10 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 55.95 1lul s SER 44 Cb -0.02 -0.76 0.11 0.00 -1.71 0.00 0.00 66.02 63.64 1lul s SER 44 CO 0.77 0.04 0.75 -0.22 1.20 0.00 0.00 173.24 175.78 1lul s LEU 45 N -3.38 -0.89 -0.07 3.45 0.20 -1.26 -2.18 118.68 114.55 1lul s LEU 45 Ca 0.29 1.35 -0.09 0.00 0.69 0.00 0.00 54.13 56.37 1lul s LEU 45 Cb -0.07 2.20 0.02 0.00 -0.43 0.00 0.00 46.19 47.91 1lul s LEU 45 CO 0.18 -0.21 0.24 -0.83 -0.29 0.00 0.00 176.35 175.44 1lul s GLY 46 N 1.93 -0.15 0.04 7.98 0.00 -0.79 -0.66 107.32 115.68 1lul s GLY 46 Ca -0.08 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1lul s GLY 46 CO -0.19 0.41 -0.12 0.50 0.00 0.00 0.00 173.10 173.71 1lul s ARG 47 N -0.29 0.78 -0.02 2.90 0.52 -0.56 -1.59 118.95 120.68 1lul s ARG 47 Ca -0.04 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1lul s ARG 47 Cb -0.03 -0.73 0.02 0.00 0.52 0.00 0.00 34.95 34.73 1lul s ARG 47 CO 0.01 0.18 0.01 0.00 0.02 0.00 0.00 175.30 175.51 1lul s ALA 48 N -0.93 0.22 0.03 2.13 0.00 -0.13 -0.84 121.76 122.24 1lul s ALA 48 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1lul s ALA 48 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1lul s ALA 48 CO 0.01 -0.07 -0.10 -0.06 0.00 0.00 0.00 175.76 175.54 1lul s PHE 49 N 0.92 0.85 0.19 0.00 0.08 0.27 -0.68 117.98 119.61 1lul s PHE 49 Ca -0.09 -0.34 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1lul s PHE 49 Cb -0.12 -0.51 -0.10 0.00 -0.57 0.00 0.00 43.02 41.72 1lul s PHE 49 CO -0.02 -0.02 1.49 -0.47 -0.10 0.00 0.00 175.22 176.10 1lul s TYR 50 N -0.87 3.08 0.24 0.36 5.04 -0.82 0.85 117.35 125.24 1lul s TYR 50 Ca -0.02 0.84 -0.05 0.00 -2.44 0.00 0.00 57.07 55.40 1lul s TYR 50 Cb -0.07 -3.84 0.46 0.00 0.35 0.00 0.00 41.96 38.85 1lul s TYR 50 CO 0.01 -2.95 1.71 0.77 -1.34 0.00 0.00 175.55 173.75 1lul h SER 51 N 6.13 0.14 -3.41 4.32 0.02 -1.17 -3.40 113.55 116.18 1lul h SER 51 Ca -0.44 0.13 -0.59 0.00 -0.84 0.00 0.00 61.79 60.05 1lul h SER 51 Cb 1.21 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.79 1lul h SER 51 CO 0.85 0.03 -0.15 -0.55 -1.14 0.00 0.00 176.83 175.88 1lul s SER 52 N -5.29 6.55 0.46 3.07 0.15 -1.26 -5.04 113.70 112.34 1lul s SER 52 Ca -0.13 0.66 -0.23 0.00 0.70 0.00 0.00 55.95 56.95 1lul s SER 52 Cb 0.21 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 62.18 1lul s SER 52 CO 0.76 -0.06 1.15 -2.16 1.20 0.00 0.00 173.24 174.12 1lul s PRO 53 N 1.10 3.78 0.08 5.44 0.04 -1.26 -4.88 135.00 139.30 1lul s PRO 53 Ca 0.22 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.09 1lul s PRO 53 Cb -0.15 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1lul s PRO 53 CO 0.09 -0.52 -0.27 0.96 0.04 0.00 0.00 177.00 177.30 1lul s ILE 54 N -1.58 2.18 -0.28 0.56 -4.36 -0.80 -4.96 121.20 111.96 1lul s ILE 54 Ca 0.63 -1.54 -0.19 0.00 -0.26 0.00 0.00 60.65 59.29 1lul s ILE 54 Cb -0.27 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1lul s ILE 54 CO 0.33 0.25 0.57 -1.58 0.24 0.00 0.00 174.94 174.75 1lul s GLN 55 N -1.58 3.99 0.09 0.37 0.74 -1.26 -1.60 119.66 120.41 1lul s GLN 55 Ca 0.13 0.32 -0.07 0.00 0.05 0.00 0.00 55.36 55.78 1lul s GLN 55 Cb -0.10 -3.69 -0.21 0.00 1.10 0.00 0.00 33.01 30.12 1lul s GLN 55 CO 0.04 -0.46 1.20 0.82 -0.55 0.00 0.00 175.29 176.34 1lul h ILE 56 N 5.47 1.40 -3.10 -2.34 1.08 -1.08 -3.46 117.51 115.48 1lul h ILE 56 Ca -0.28 -2.64 0.00 0.00 -0.39 0.00 0.00 64.86 61.56 1lul h ILE 56 Cb 1.13 2.66 -0.03 0.00 -3.07 0.00 0.00 36.82 37.51 1lul h ILE 56 CO 0.76 0.79 0.21 -0.72 -0.69 0.00 0.00 178.15 178.49 1lul s TYR 57 N -3.00 0.05 -0.19 1.37 -0.85 -1.24 -1.41 117.35 112.08 1lul s TYR 57 Ca -0.06 -0.59 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 1lul s TYR 57 Cb 0.07 0.70 0.04 0.00 0.38 0.00 0.00 41.96 43.15 1lul s TYR 57 CO 0.89 -1.37 -0.13 0.34 -1.52 0.00 0.00 175.55 173.75 1lul s ASP 58 N -3.01 3.34 0.20 -0.18 -1.08 -0.51 -4.79 116.67 110.64 1lul s ASP 58 Ca 0.15 -0.83 -0.11 0.00 -0.52 0.00 0.00 52.55 51.25 1lul s ASP 58 Cb -0.05 -1.32 0.24 0.00 -1.46 0.00 0.00 42.92 40.33 1lul s ASP 58 CO 0.10 -0.10 1.74 0.11 0.52 0.00 0.00 175.17 177.54 1lul h LYS 59 N 7.95 0.38 0.00 4.34 1.57 -1.94 0.17 116.57 129.04 1lul h LYS 59 Ca -0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1lul h LYS 59 Cb 1.11 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1lul h LYS 59 CO 0.52 0.25 0.00 -1.13 -0.57 0.00 0.00 179.45 178.52 1lul n SER 60 N -5.00 0.00 -0.10 0.86 3.41 -1.26 -3.77 113.62 107.76 1lul n SER 60 Ca 0.08 0.72 0.21 0.00 -0.26 0.00 0.00 58.87 59.62 1lul n SER 60 Cb 0.25 -0.35 0.65 0.00 -0.26 0.00 0.00 64.21 64.50 1lul n SER 60 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1lul h THR 61 N 0.00 0.70 0.00 6.66 1.35 -1.87 -3.45 112.91 116.29 1lul h THR 61 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1lul h THR 61 Cb 0.00 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1lul h THR 61 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1lul n GLY 62 N -1.62 2.16 3.76 5.82 0.00 0.59 -3.92 105.19 111.97 1lul n GLY 62 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1lul n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lul s ALA 63 N -2.82 2.93 -0.06 4.61 0.00 -1.25 -4.77 121.76 120.41 1lul s ALA 63 Ca 0.00 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1lul s ALA 63 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1lul s ALA 63 CO 0.00 -0.94 -0.11 0.08 0.00 0.00 0.00 175.76 174.80 1lul s VAL 64 N -1.44 1.02 0.38 0.00 1.01 -1.26 -1.43 120.40 118.68 1lul s VAL 64 Ca 0.66 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 1lul s VAL 64 Cb -0.34 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1lul s VAL 64 CO 0.40 0.33 1.05 0.00 0.00 0.00 0.00 175.10 176.88 1lul s ALA 65 N 0.68 3.14 -0.08 5.51 0.00 -0.50 -4.71 121.76 125.80 1lul s ALA 65 Ca -0.14 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1lul s ALA 65 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1lul s ALA 65 CO 0.03 -0.17 0.06 -1.12 0.00 0.00 0.00 175.76 174.56 1lul s SER 66 N -1.48 5.69 0.27 0.00 0.01 -1.12 -4.56 113.70 112.52 1lul s SER 66 Ca 0.55 0.25 -0.06 0.00 1.31 0.00 0.00 55.95 58.01 1lul s SER 66 Cb -0.23 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1lul s SER 66 CO 0.29 0.37 0.38 -1.66 0.41 0.00 0.00 173.24 173.03 1lul s TRP 67 N -0.98 0.84 0.02 2.43 1.48 -1.00 -1.43 118.94 120.30 1lul s TRP 67 Ca 0.15 -1.10 -0.20 0.00 -1.06 0.00 0.00 56.10 53.89 1lul s TRP 67 Cb -0.12 -0.13 0.04 0.00 -1.16 0.00 0.00 33.47 32.11 1lul s TRP 67 CO 0.05 -0.94 0.46 0.00 -4.06 0.00 0.00 176.95 172.46 1lul s ALA 68 N -3.75 -1.15 -0.09 2.67 0.00 0.16 -1.26 121.76 118.34 1lul s ALA 68 Ca 0.30 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 1lul s ALA 68 Cb 0.02 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1lul s ALA 68 CO 0.14 -0.42 0.34 -0.08 0.00 0.00 0.00 175.76 175.73 1lul s THR 69 N -2.10 0.02 0.06 0.00 -1.32 0.17 -1.69 115.64 110.77 1lul s THR 69 Ca -0.07 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1lul s THR 69 Cb -0.01 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1lul s THR 69 CO 0.01 -0.09 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.34 1lul s SER 70 N -0.32 0.71 -0.19 8.08 1.04 -0.67 -0.81 113.70 121.54 1lul s SER 70 Ca -0.04 -0.89 -0.32 0.00 0.48 0.00 0.00 55.95 55.17 1lul s SER 70 Cb -0.03 0.14 0.15 0.00 0.10 0.00 0.00 66.02 66.37 1lul s SER 70 CO 0.02 -0.48 1.17 0.72 0.98 0.00 0.00 173.24 175.65 1lul s PHE 71 N -3.24 -0.18 -0.05 5.02 -0.12 -0.97 -0.80 117.98 117.63 1lul s PHE 71 Ca 0.04 0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.14 1lul s PHE 71 Cb 0.03 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1lul s PHE 71 CO -0.06 -0.22 -0.05 0.99 -0.05 0.00 0.00 175.22 175.83 1lul s THR 72 N -1.82 3.81 -0.03 -4.49 2.01 -0.90 -1.59 115.64 112.62 1lul s THR 72 Ca 0.06 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1lul s THR 72 Cb -0.01 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1lul s THR 72 CO -0.04 0.54 0.14 0.00 -0.69 0.00 0.00 174.62 174.56 1lul s ALA 73 N -0.88 -0.33 -0.05 7.40 0.00 0.28 -0.00 121.76 128.17 1lul s ALA 73 Ca 0.14 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1lul s ALA 73 Cb -0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1lul s ALA 73 CO 0.04 -0.12 -0.19 -0.80 0.00 0.00 0.00 175.76 174.69 1lul s ASN 74 N -0.47 3.64 -0.13 0.00 0.02 -0.84 0.04 114.94 117.20 1lul s ASN 74 Ca -0.06 -0.32 -0.00 0.00 -1.02 0.00 0.00 52.86 51.46 1lul s ASN 74 Cb -0.04 -0.81 0.03 0.00 0.02 0.00 0.00 41.25 40.46 1lul s ASN 74 CO 0.01 0.30 -0.07 -0.63 0.02 0.00 0.00 177.10 176.73 1lul s ILE 75 N -0.50 1.08 -0.12 0.60 1.01 -1.26 -2.87 121.20 119.15 1lul s ILE 75 Ca 0.06 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1lul s ILE 75 Cb -0.12 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 1lul s ILE 75 CO 0.01 0.28 -0.19 -0.36 0.00 0.00 0.00 174.94 174.68 1lul s PHE 76 N 1.67 2.68 -0.22 3.97 0.40 -1.25 -0.38 117.98 124.85 1lul s PHE 76 Ca 0.03 -0.98 -0.02 0.00 -0.60 0.00 0.00 56.93 55.37 1lul s PHE 76 Cb -0.14 -1.79 0.07 0.00 0.51 0.00 0.00 43.02 41.67 1lul s PHE 76 CO -0.08 -0.40 0.02 0.00 0.70 0.00 0.00 175.22 175.46 1lul s ALA 77 N 0.48 1.32 0.48 5.36 0.00 -1.26 -0.27 121.76 127.87 1lul s ALA 77 Ca -0.13 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 1lul s ALA 77 Cb -0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.58 1lul s ALA 77 CO 0.05 -1.24 1.32 -2.14 0.00 0.00 0.00 175.76 173.75 1lul s PRO 78 N 1.71 3.54 -0.44 0.00 0.02 -1.26 -2.99 135.00 135.58 1lul s PRO 78 Ca -0.01 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 1lul s PRO 78 Cb -0.18 -2.47 0.01 0.00 0.02 0.00 0.00 34.50 31.89 1lul s PRO 78 CO -0.10 -0.84 0.55 0.27 -0.33 0.00 0.00 177.00 176.55 1lul n ASN 79 N -0.51 -7.26 -0.31 2.53 0.23 -1.26 -4.63 115.26 104.05 1lul n ASN 79 Ca 0.07 0.37 0.17 0.00 -0.53 0.00 0.00 54.58 54.66 1lul n ASN 79 Cb 0.45 -4.89 0.35 0.00 -2.08 0.00 0.00 39.78 33.61 1lul n ASN 79 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1lul h LYS 80 N 1.50 0.25 0.00 -3.83 3.64 -1.95 0.49 116.57 116.68 1lul h LYS 80 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1lul h LYS 80 Cb 0.91 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1lul h LYS 80 CO 0.19 0.17 0.00 -1.13 -2.27 0.00 0.00 179.45 176.41 1lul n SER 81 N -5.16 0.00 -1.84 4.20 3.41 -1.26 -2.37 113.62 110.60 1lul n SER 81 Ca 0.25 -0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 1lul n SER 81 Cb 0.78 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.80 1lul n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lul n SER 82 N -0.98 3.52 -4.77 4.04 7.64 0.17 -5.05 113.62 118.19 1lul n SER 82 Ca 0.10 -3.41 -0.40 0.00 1.01 0.00 0.00 58.87 56.18 1lul n SER 82 Cb 0.04 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 1lul n SER 82 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1lul s SER 83 N -3.47 7.44 -0.24 6.43 1.04 -1.00 -2.08 113.70 121.81 1lul s SER 83 Ca 0.44 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 1lul s SER 83 Cb 0.39 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 64.15 1lul s SER 83 CO -0.01 0.17 1.24 0.00 0.98 0.00 0.00 173.24 175.62 1lul s ALA 84 N -1.01 -2.06 -0.26 5.32 0.00 -1.26 -3.93 121.76 118.56 1lul s ALA 84 Ca 0.38 1.78 0.14 0.00 0.00 0.00 0.00 51.96 54.26 1lul s ALA 84 Cb -0.24 -1.19 -0.20 0.00 0.00 0.00 0.00 23.12 21.49 1lul s ALA 84 CO 0.27 -0.28 0.42 -0.25 0.00 0.00 0.00 175.76 175.92 1lul n ASP 85 N 0.55 1.32 0.00 0.00 8.00 -0.36 -3.33 116.55 122.73 1lul n ASP 85 Ca -0.03 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1lul n ASP 85 Cb 0.59 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 43.10 1lul n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lul n GLY 86 N 1.55 0.71 3.04 0.44 0.00 -1.23 -2.64 105.19 107.07 1lul n GLY 86 Ca -0.01 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 1lul n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lul s ILE 87 N -0.90 0.36 0.01 -0.61 2.07 -1.11 -2.91 121.20 118.11 1lul s ILE 87 Ca 0.00 -1.14 -0.02 0.00 -1.41 0.00 0.00 60.65 58.08 1lul s ILE 87 Cb 0.00 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 1lul s ILE 87 CO 0.00 -0.52 0.03 0.00 -1.91 0.00 0.00 174.94 172.54 1lul s ALA 88 N -1.79 -0.04 -0.15 1.50 0.00 0.16 -0.58 121.76 120.86 1lul s ALA 88 Ca -0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1lul s ALA 88 Cb -0.07 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1lul s ALA 88 CO -0.01 -0.14 0.20 0.12 0.00 0.00 0.00 175.76 175.93 1lul s PHE 89 N -1.12 3.50 0.08 0.00 5.36 0.08 -1.84 117.98 124.05 1lul s PHE 89 Ca -0.12 0.52 -0.03 0.00 -0.96 0.00 0.00 56.93 56.34 1lul s PHE 89 Cb -0.07 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 1lul s PHE 89 CO -0.00 0.43 0.06 0.00 -1.46 0.00 0.00 175.22 174.24 1lul s ALA 90 N -0.11 0.39 -0.22 11.12 0.00 -0.06 -0.67 121.76 132.20 1lul s ALA 90 Ca 0.14 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1lul s ALA 90 Cb -0.12 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.53 1lul s ALA 90 CO 0.03 -0.44 -0.08 -0.51 0.00 0.00 0.00 175.76 174.75 1lul s LEU 91 N -2.94 2.52 0.20 0.00 1.02 -0.53 -2.04 118.68 116.91 1lul s LEU 91 Ca 0.11 -1.06 0.07 0.00 0.02 0.00 0.00 54.13 53.26 1lul s LEU 91 Cb 0.07 -1.24 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 1lul s LEU 91 CO -0.07 -0.19 -0.11 0.68 0.02 0.00 0.00 176.35 176.68 1lul s VAL 92 N 1.37 1.56 0.31 -1.59 -7.23 -0.80 -2.40 120.40 111.62 1lul s VAL 92 Ca -0.04 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 57.68 1lul s VAL 92 Cb -0.18 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.58 1lul s VAL 92 CO -0.07 -0.57 1.42 -2.84 -0.31 0.00 0.00 175.10 172.73 1lul s PRO 93 N -3.69 4.25 0.00 4.82 0.02 -1.25 -0.37 135.00 138.77 1lul s PRO 93 Ca 0.23 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1lul s PRO 93 Cb 0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1lul s PRO 93 CO 0.06 -0.38 0.43 1.33 -0.33 0.00 0.00 177.00 178.11 1lul n VAL 94 N 1.38 0.00 0.24 3.83 0.24 -1.26 -1.23 118.33 121.53 1lul n VAL 94 Ca 0.03 0.67 0.06 0.00 -2.04 0.00 0.00 64.34 63.06 1lul n VAL 94 Cb 0.40 -0.92 0.27 0.00 -1.47 0.00 0.00 33.84 32.12 1lul n VAL 94 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lul n GLY 95 N -0.93 -0.83 0.52 7.63 0.00 -1.26 -4.90 105.19 105.42 1lul n GLY 95 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1lul n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lul n SER 96 N -1.74 0.16 -4.91 1.61 2.88 -0.37 -4.95 113.62 106.30 1lul n SER 96 Ca 0.01 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 1lul n SER 96 Cb 0.09 -0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 1lul n SER 96 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1lul s GLU 97 N 0.50 3.58 0.84 -1.46 0.41 -1.26 -5.05 118.70 116.26 1lul s GLU 97 Ca 0.15 -0.17 -0.14 0.00 -0.41 0.00 0.00 54.97 54.40 1lul s GLU 97 Cb -0.21 -2.78 0.01 0.00 -1.78 0.00 0.00 34.13 29.36 1lul s GLU 97 CO 0.11 0.36 0.52 -2.30 -0.49 0.00 0.00 175.26 173.46 1lul n PRO 98 N -0.58 0.01 0.00 0.39 -0.02 -1.26 -5.04 135.00 128.50 1lul n PRO 98 Ca -0.03 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1lul n PRO 98 Cb 0.53 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1lul n PRO 98 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lul n LYS 99 N -1.39 3.54 -1.26 -0.52 4.76 -0.99 -5.01 118.16 117.28 1lul n LYS 99 Ca 0.09 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.18 1lul n LYS 99 Cb 0.52 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.82 1lul n LYS 99 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1lul n SER 100 N 0.00 1.13 -2.87 4.39 7.64 -1.12 -4.57 113.62 118.21 1lul n SER 100 Ca 0.00 0.64 -0.35 0.00 1.01 0.00 0.00 58.87 60.17 1lul n SER 100 Cb 0.00 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1lul n SER 100 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1lul n ASN 101 N -2.74 7.17 0.00 6.43 6.94 -1.26 0.22 115.26 132.02 1lul n ASN 101 Ca 0.14 -3.55 0.00 0.00 -0.02 0.00 0.00 54.58 51.15 1lul n ASN 101 Cb 0.50 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.76 1lul n ASN 101 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1lul n PHE 104 N 0.18 0.00 -1.85 -2.53 3.72 -1.26 -4.61 117.46 111.11 1lul n PHE 104 Ca 0.52 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.81 1lul n PHE 104 Cb 0.35 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.13 1lul n PHE 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1lul n LEU 105 N 0.00 -0.95 -1.14 4.37 4.77 -1.26 -2.27 117.00 120.52 1lul n LEU 105 Ca 0.00 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1lul n LEU 105 Cb 0.00 -1.93 -0.05 0.00 -2.33 0.00 0.00 43.42 39.11 1lul n LEU 105 CO 0.00 -0.38 -0.14 0.61 -1.33 0.00 0.00 177.39 176.16 1lul n GLY 106 N -0.48 1.23 0.00 -0.72 0.00 0.13 -4.27 105.19 101.09 1lul n GLY 106 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1lul n GLY 106 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lul n VAL 107 N -2.79 0.00 -4.33 1.61 0.24 -0.96 -2.35 118.33 109.75 1lul n VAL 107 Ca -0.14 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.34 61.94 1lul n VAL 107 Cb 0.48 0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 33.11 1lul n VAL 107 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1lul s PHE 108 N -0.75 1.57 -0.05 6.34 0.08 -1.20 -4.84 117.98 119.14 1lul s PHE 108 Ca 0.00 -0.81 0.06 0.00 0.12 0.00 0.00 56.93 56.30 1lul s PHE 108 Cb 0.00 -0.87 -0.09 0.00 -0.57 0.00 0.00 43.02 41.49 1lul s PHE 108 CO 0.00 0.08 0.07 -0.25 -0.10 0.00 0.00 175.22 175.02 1lul n ASP 109 N -0.39 3.38 -4.02 1.36 8.00 -1.26 -2.79 116.55 120.83 1lul n ASP 109 Ca -0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 1lul n ASP 109 Cb 0.63 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.54 1lul n ASP 109 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1lul s SER 110 N -3.48 -0.04 -0.08 -2.24 1.04 -1.26 -4.94 113.70 102.69 1lul s SER 110 Ca -0.03 -0.98 0.11 0.00 0.48 0.00 0.00 55.95 55.53 1lul s SER 110 Cb 0.03 0.53 0.45 0.00 0.10 0.00 0.00 66.02 67.13 1lul s SER 110 CO 0.28 -1.06 1.28 -0.90 0.98 0.00 0.00 173.24 173.82 1lul n ASP 111 N -0.34 3.19 -4.53 7.02 5.75 -1.26 -2.51 116.55 123.88 1lul n ASP 111 Ca -0.02 -2.31 -0.34 0.00 -0.01 0.00 0.00 54.79 52.11 1lul n ASP 111 Cb 0.63 -0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 1lul n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1lul s VAL 112 N -1.77 3.95 0.03 2.12 1.01 -1.26 -4.52 120.40 119.96 1lul s VAL 112 Ca 0.31 -0.35 -0.34 0.00 0.00 0.00 0.00 61.98 61.60 1lul s VAL 112 Cb 0.21 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.74 1lul s VAL 112 CO 0.14 0.51 1.72 0.00 0.00 0.00 0.00 175.10 177.47 1lul n TYR 113 N 3.29 2.27 -3.49 5.22 4.19 -1.26 -4.66 117.16 122.72 1lul n TYR 113 Ca -0.17 0.16 -0.29 0.00 3.31 0.00 0.00 57.90 60.91 1lul n TYR 113 Cb 0.53 -2.59 -0.13 0.00 0.49 0.00 0.00 39.34 37.63 1lul n TYR 113 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1lul s ASP 114 N 2.48 3.13 0.57 2.98 2.15 -0.87 -5.00 116.67 122.12 1lul s ASP 114 Ca 0.86 -1.82 0.30 0.00 0.43 0.00 0.00 52.55 52.32 1lul s ASP 114 Cb -0.71 -0.35 1.44 0.00 -0.30 0.00 0.00 42.92 43.00 1lul s ASP 114 CO 0.46 -0.36 1.83 -1.13 -0.17 0.00 0.00 175.17 175.79 1lul h ASN 115 N 7.55 0.00 0.23 -0.34 -1.24 -1.92 0.18 115.58 120.04 1lul h ASN 115 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1lul h ASN 115 Cb 0.99 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1lul h ASN 115 CO 0.33 0.00 -0.02 0.77 -1.29 0.00 0.00 177.43 177.22 1lul h SER 116 N 0.00 0.00 -0.28 1.15 4.64 -1.96 -1.52 113.55 115.58 1lul h SER 116 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 1lul h SER 116 Cb 1.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.68 1lul h SER 116 CO -0.00 0.02 -0.11 0.00 -0.87 0.00 0.00 176.83 175.86 1lul h ALA 117 N 1.98 1.07 -6.50 5.18 0.00 -0.99 -3.47 119.26 116.54 1lul h ALA 117 Ca -0.00 -0.30 -0.50 0.00 0.00 0.00 0.00 54.91 54.11 1lul h ALA 117 Cb 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1lul h ALA 117 CO 0.00 0.57 -0.88 1.04 0.00 0.00 0.00 179.25 179.99 1lul n GLN 118 N -4.17 -3.41 -4.06 0.00 1.13 -0.57 -4.75 117.38 101.54 1lul n GLN 118 Ca 0.01 0.42 -0.16 0.00 -1.94 0.00 0.00 57.00 55.33 1lul n GLN 118 Cb 0.35 -4.63 -0.15 0.00 0.11 0.00 0.00 30.24 25.92 1lul n GLN 118 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1lul s THR 119 N -3.87 0.30 -0.02 5.09 2.01 -1.24 -3.97 115.64 113.95 1lul s THR 119 Ca 0.09 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1lul s THR 119 Cb -0.05 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1lul s THR 119 CO 0.89 0.12 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.17 1lul s VAL 120 N 0.37 0.74 0.10 3.82 1.01 -1.01 -1.12 120.40 124.31 1lul s VAL 120 Ca -0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1lul s VAL 120 Cb -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1lul s VAL 120 CO -0.01 0.23 0.28 0.00 0.00 0.00 0.00 175.10 175.61 1lul s ALA 121 N 0.20 -0.55 -0.26 5.51 0.00 -0.16 -1.46 121.76 125.04 1lul s ALA 121 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1lul s ALA 121 Cb -0.08 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1lul s ALA 121 CO 0.00 -0.54 0.00 0.08 0.00 0.00 0.00 175.76 175.30 1lul s VAL 122 N -3.65 3.41 0.14 0.00 1.01 0.15 -0.21 120.40 121.26 1lul s VAL 122 Ca 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1lul s VAL 122 Cb 0.03 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1lul s VAL 122 CO -0.10 0.18 0.32 -1.83 0.00 0.00 0.00 175.10 173.66 1lul s GLU 123 N 1.42 3.50 -0.53 2.72 -1.05 -0.53 -0.74 118.70 123.50 1lul s GLU 123 Ca 0.02 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 54.52 1lul s GLU 123 Cb -0.17 -2.92 0.22 0.00 -0.44 0.00 0.00 34.13 30.82 1lul s GLU 123 CO -0.01 0.49 0.55 1.19 0.95 0.00 0.00 175.26 178.43 1lul n PHE 124 N -0.26 1.38 -2.09 4.83 3.01 0.25 -1.66 117.46 122.92 1lul n PHE 124 Ca -0.05 -3.82 -0.42 0.00 1.01 0.00 0.00 57.45 54.16 1lul n PHE 124 Cb 0.53 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 1lul n PHE 124 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1lul s ASP 125 N -1.38 6.74 -0.01 4.37 -1.08 -0.84 -2.76 116.67 121.71 1lul s ASP 125 Ca 0.34 2.29 0.10 0.00 -0.52 0.00 0.00 52.55 54.76 1lul s ASP 125 Cb 0.10 -2.56 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 1lul s ASP 125 CO -0.11 -0.79 0.28 0.35 0.52 0.00 0.00 175.17 175.41 1lul n THR 126 N 4.65 0.00 -4.71 1.71 -2.24 -1.08 -2.21 114.28 110.40 1lul n THR 126 Ca 0.14 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1lul n THR 126 Cb 0.42 0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 1lul n THR 126 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1lul s PHE 127 N -2.49 2.69 -0.74 4.78 0.40 -1.24 -4.67 117.98 116.70 1lul s PHE 127 Ca -0.02 -1.21 -0.24 0.00 -0.60 0.00 0.00 56.93 54.86 1lul s PHE 127 Cb 0.07 -1.82 0.06 0.00 0.51 0.00 0.00 43.02 41.83 1lul s PHE 127 CO 0.42 -0.54 1.14 0.45 0.70 0.00 0.00 175.22 177.39 1lul s SER 128 N 0.74 6.23 -0.62 1.36 0.15 -1.26 -4.99 113.70 115.31 1lul s SER 128 Ca -0.08 -0.90 -0.27 0.00 0.70 0.00 0.00 55.95 55.39 1lul s SER 128 Cb -0.16 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1lul s SER 128 CO 0.00 -1.58 1.41 0.20 1.20 0.00 0.00 173.24 174.48 1lul s ASN 129 N 3.82 6.05 0.00 5.45 -0.87 -1.26 -4.92 114.94 123.22 1lul s ASN 129 Ca 0.30 0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 1lul s ASN 129 Cb -0.11 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1lul s ASN 129 CO 0.09 -1.82 0.29 0.35 -2.57 0.00 0.00 177.10 173.44 1lul n THR 130 N 6.75 0.00 0.00 1.60 -2.24 -1.26 0.13 114.28 119.26 1lul n THR 130 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1lul n THR 130 Cb 0.49 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1lul n THR 130 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1lul n TRP 132 N 3.03 0.00 -2.29 4.78 2.14 -1.26 -5.00 117.44 118.84 1lul n TRP 132 Ca 0.00 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.25 1lul n TRP 132 Cb 0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 31.31 30.31 1lul n TRP 132 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1lul s ASP 133 N -4.13 6.36 0.67 -0.67 1.01 0.12 -4.86 116.67 115.16 1lul s ASP 133 Ca 0.00 1.65 -0.11 0.00 0.71 0.00 0.00 52.55 54.80 1lul s ASP 133 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1lul s ASP 133 CO 0.00 -0.77 1.06 -2.84 0.21 0.00 0.00 175.17 172.83 1lul s PRO 134 N -4.06 3.15 0.41 8.23 0.02 -1.26 -4.75 135.00 136.74 1lul s PRO 134 Ca 0.60 0.66 0.23 0.00 0.02 0.00 0.00 61.00 62.52 1lul s PRO 134 Cb -0.12 -2.04 1.25 0.00 0.02 0.00 0.00 34.50 33.61 1lul s PRO 134 CO 0.33 -0.87 1.69 1.15 -0.33 0.00 0.00 177.00 178.97 1lul h THR 135 N -0.54 0.32 -1.61 0.99 2.02 -1.97 -3.45 112.91 108.67 1lul h THR 135 Ca -0.45 -0.08 -0.61 0.00 0.77 0.00 0.00 66.41 66.04 1lul h THR 135 Cb 1.22 0.05 -0.13 0.00 -1.74 0.00 0.00 68.15 67.55 1lul h THR 135 CO 0.62 0.04 -0.53 -0.94 0.37 0.00 0.00 175.52 175.08 1lul s SER 136 N -4.88 3.42 0.26 4.18 1.04 -1.26 -4.84 113.70 111.62 1lul s SER 136 Ca -0.08 -1.61 -0.30 0.00 0.48 0.00 0.00 55.95 54.43 1lul s SER 136 Cb 0.28 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 66.64 1lul s SER 136 CO 0.81 -0.82 1.33 0.54 0.98 0.00 0.00 173.24 176.08 1lul n ARG 137 N -1.04 1.94 -4.13 4.02 1.74 -1.26 -4.89 116.66 113.03 1lul n ARG 137 Ca -0.11 0.69 -0.12 0.00 -0.77 0.00 0.00 57.85 57.53 1lul n ARG 137 Cb 0.66 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 1lul n ARG 137 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1lul s HIS 138 N -0.36 0.97 -0.15 -1.55 -3.43 -0.94 -1.00 115.29 108.83 1lul s HIS 138 Ca 0.65 -1.20 0.01 0.00 -0.80 0.00 0.00 55.06 53.71 1lul s HIS 138 Cb -0.65 -0.27 -0.00 0.00 -1.43 0.00 0.00 32.58 30.23 1lul s HIS 138 CO 0.53 -0.85 -0.16 0.42 -2.00 0.00 0.00 174.74 172.68 1lul s ILE 139 N -3.85 2.59 0.18 -5.38 1.01 -0.24 -1.98 121.20 113.52 1lul s ILE 139 Ca 0.33 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1lul s ILE 139 Cb 0.03 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1lul s ILE 139 CO 0.14 0.52 -0.09 -0.83 0.00 0.00 0.00 174.94 174.69 1lul s GLY 140 N 0.82 1.26 -0.31 6.18 0.00 -0.66 -1.23 107.32 113.36 1lul s GLY 140 Ca -0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.04 1lul s GLY 140 CO -0.00 -1.64 0.03 -0.42 0.00 0.00 0.00 173.10 171.07 1lul s ILE 141 N -3.28 3.26 -0.24 0.90 1.01 -0.88 -1.45 121.20 120.52 1lul s ILE 141 Ca 0.21 -1.28 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1lul s ILE 141 Cb 0.03 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1lul s ILE 141 CO 0.04 -0.12 0.13 -1.81 0.00 0.00 0.00 174.94 173.18 1lul s ASP 142 N 1.31 5.78 -0.33 3.58 1.01 0.71 -0.25 116.67 128.48 1lul s ASP 142 Ca -0.04 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.26 1lul s ASP 142 Cb -0.20 -2.04 0.10 0.00 1.01 0.00 0.00 42.92 41.79 1lul s ASP 142 CO 0.00 0.04 0.05 -0.69 0.21 0.00 0.00 175.17 174.79 1lul s VAL 143 N 1.20 2.04 -1.46 -1.27 1.01 -1.26 -0.99 120.40 119.67 1lul s VAL 143 Ca 0.06 -2.17 -0.08 0.00 0.00 0.00 0.00 61.98 59.79 1lul s VAL 143 Cb -0.14 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1lul s VAL 143 CO 0.05 -0.60 0.74 0.59 0.00 0.00 0.00 175.10 175.88 1lul n ASN 144 N 4.36 -5.29 -3.65 3.32 3.02 -0.28 -4.84 115.26 111.91 1lul n ASN 144 Ca 0.03 -0.45 -0.03 0.00 -0.03 0.00 0.00 54.58 54.10 1lul n ASN 144 Cb 0.42 -4.26 -0.06 0.00 -0.61 0.00 0.00 39.78 35.27 1lul n ASN 144 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lul s SER 145 N -2.92 -0.05 0.00 6.41 0.15 -1.26 -2.04 113.70 113.99 1lul s SER 145 Ca 0.45 0.07 0.17 0.00 0.70 0.00 0.00 55.95 57.34 1lul s SER 145 Cb -0.21 0.07 0.92 0.00 -1.71 0.00 0.00 66.02 65.08 1lul s SER 145 CO 0.55 -0.03 1.50 0.00 1.20 0.00 0.00 173.24 176.46 1lul n ILE 146 N 1.16 0.37 -3.07 6.45 0.13 -1.04 -4.44 119.36 118.92 1lul n ILE 146 Ca -0.06 0.09 -0.43 0.00 -1.10 0.00 0.00 62.75 61.25 1lul n ILE 146 Cb 0.58 -0.81 -0.06 0.00 -0.84 0.00 0.00 39.64 38.51 1lul n ILE 146 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1lul s LYS 147 N -2.42 3.19 0.70 9.51 -0.14 -1.26 -4.92 119.74 124.40 1lul s LYS 147 Ca 0.19 -0.67 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 1lul s LYS 147 Cb 0.12 -4.07 0.02 0.00 -1.68 0.00 0.00 37.83 32.22 1lul s LYS 147 CO 0.25 -1.26 1.25 -1.12 -0.76 0.00 0.00 175.35 173.71 1lul s SER 148 N 2.63 4.29 0.00 2.83 0.01 -1.26 -4.60 113.70 117.60 1lul s SER 148 Ca 0.20 2.51 0.25 0.00 1.31 0.00 0.00 55.95 60.21 1lul s SER 148 Cb -0.17 -2.61 0.39 0.00 0.21 0.00 0.00 66.02 63.84 1lul s SER 148 CO 0.15 -2.21 1.36 2.30 0.41 0.00 0.00 173.24 175.25 1lul n ILE 149 N -2.39 0.00 -3.64 1.44 -5.35 0.65 -4.89 119.36 105.18 1lul n ILE 149 Ca 0.15 -0.40 -0.06 0.00 -0.27 0.00 0.00 62.75 62.17 1lul n ILE 149 Cb 0.49 1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 39.52 1lul n ILE 149 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1lul s ARG 150 N -2.08 0.31 0.22 6.28 0.52 -1.26 -5.00 118.95 117.95 1lul s ARG 150 Ca 0.29 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1lul s ARG 150 Cb 0.20 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.76 1lul s ARG 150 CO 0.35 -0.04 0.10 0.95 0.02 0.00 0.00 175.30 176.67 1lul s THR 151 N 0.34 0.34 -0.13 0.02 -4.23 -1.26 -2.08 115.64 108.64 1lul s THR 151 Ca 0.03 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1lul s THR 151 Cb -0.05 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1lul s THR 151 CO -0.11 -0.07 0.32 0.00 -0.54 0.00 0.00 174.62 174.23 1lul s ALA 152 N -3.91 -0.79 0.31 3.99 0.00 -0.37 -4.93 121.76 116.05 1lul s ALA 152 Ca 0.36 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1lul s ALA 152 Cb 0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 23.12 22.47 1lul s ALA 152 CO 0.12 -0.18 1.57 -1.12 0.00 0.00 0.00 175.76 176.14 1lul s SER 153 N 0.58 6.38 -0.14 0.00 0.01 -1.26 -1.08 113.70 118.19 1lul s SER 153 Ca -0.03 2.95 -0.01 0.00 1.31 0.00 0.00 55.95 60.17 1lul s SER 153 Cb -0.05 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.58 1lul s SER 153 CO -0.03 -0.89 -0.04 0.86 0.41 0.00 0.00 173.24 173.54 1lul s TRP 154 N -0.21 1.44 -0.67 2.43 -0.00 -0.17 -4.83 118.94 116.93 1lul s TRP 154 Ca 0.61 -0.84 -0.27 0.00 -0.00 0.00 0.00 56.10 55.60 1lul s TRP 154 Cb -0.47 -1.20 0.03 0.00 -0.00 0.00 0.00 33.47 31.83 1lul s TRP 154 CO 0.51 -0.55 1.22 0.20 -0.00 0.00 0.00 176.95 178.32 1lul s GLY 155 N 1.72 1.02 -0.07 5.86 0.00 -1.26 -4.57 107.32 110.02 1lul s GLY 155 Ca 0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 1lul s GLY 155 CO -0.08 2.54 1.27 -2.27 0.00 0.00 0.00 173.10 174.57 1lul s LEU 156 N 5.29 4.26 -0.86 0.66 2.96 -1.26 -4.97 118.68 124.76 1lul s LEU 156 Ca 0.37 1.85 -0.13 0.00 -0.22 0.00 0.00 54.13 56.00 1lul s LEU 156 Cb -0.08 -3.55 0.23 0.00 0.50 0.00 0.00 46.19 43.28 1lul s LEU 156 CO 0.19 -0.67 0.80 0.00 -1.32 0.00 0.00 176.35 175.35 1lul s ALA 157 N 2.66 4.15 0.03 5.97 0.00 -1.26 -5.03 121.76 128.28 1lul s ALA 157 Ca 0.58 -3.39 -0.37 0.00 0.00 0.00 0.00 51.96 48.77 1lul s ALA 157 Cb -0.25 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.19 1lul s ALA 157 CO 0.21 -2.27 1.39 -1.71 0.00 0.00 0.00 175.76 173.39 1lul n ASN 158 N 3.80 1.70 0.00 0.00 5.15 -1.26 -1.56 115.26 123.09 1lul n ASN 158 Ca 0.15 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 1lul n ASN 158 Cb 0.46 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 1lul n ASN 158 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lul n GLY 159 N 2.74 2.29 3.84 8.20 0.00 0.49 -4.97 105.19 117.78 1lul n GLY 159 Ca 0.20 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1lul n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lul s GLN 160 N 0.00 3.27 0.48 1.61 -1.52 -0.60 -4.62 119.66 118.27 1lul s GLN 160 Ca 0.00 0.89 -0.17 0.00 -1.95 0.00 0.00 55.36 54.13 1lul s GLN 160 Cb 0.00 -2.03 -0.08 0.00 -0.22 0.00 0.00 33.01 30.67 1lul s GLN 160 CO 0.00 -0.83 0.95 -0.80 -0.25 0.00 0.00 175.29 174.36 1lul s ASN 161 N -3.84 6.69 -0.11 5.90 0.02 -1.26 -4.01 114.94 118.33 1lul s ASN 161 Ca 0.57 1.55 0.00 0.00 -1.02 0.00 0.00 52.86 53.97 1lul s ASN 161 Cb -0.13 -2.50 0.02 0.00 0.02 0.00 0.00 41.25 38.67 1lul s ASN 161 CO 0.52 -0.51 -0.10 0.00 0.02 0.00 0.00 177.10 177.03 1lul s ALA 162 N -2.49 1.43 -0.36 0.60 0.00 0.11 -4.38 121.76 116.66 1lul s ALA 162 Ca 0.59 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 1lul s ALA 162 Cb -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1lul s ALA 162 CO 0.27 -0.31 0.25 -1.21 0.00 0.00 0.00 175.76 174.75 1lul s GLU 163 N 1.48 3.24 0.19 0.00 2.02 -0.24 -0.56 118.70 124.83 1lul s GLU 163 Ca 0.01 -0.82 0.09 0.00 0.02 0.00 0.00 54.97 54.28 1lul s GLU 163 Cb -0.13 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 1lul s GLU 163 CO -0.07 -0.57 -0.07 0.96 0.02 0.00 0.00 175.26 175.54 1lul s ILE 164 N 1.68 3.30 -0.13 -1.63 -5.25 -0.62 -1.05 121.20 117.50 1lul s ILE 164 Ca 0.05 -1.67 -0.04 0.00 -0.99 0.00 0.00 60.65 58.00 1lul s ILE 164 Cb -0.18 -2.66 0.07 0.00 2.95 0.00 0.00 42.46 42.63 1lul s ILE 164 CO 0.10 -0.16 0.21 -0.22 -1.79 0.00 0.00 174.94 173.08 1lul s LEU 165 N -2.99 -0.15 -0.08 0.37 2.96 -0.66 -2.29 118.68 115.83 1lul s LEU 165 Ca 0.26 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1lul s LEU 165 Cb -0.08 0.44 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 1lul s LEU 165 CO 0.16 -0.27 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.18 1lul s ILE 166 N 2.34 3.26 -0.01 6.68 1.01 0.01 -2.17 121.20 132.32 1lul s ILE 166 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1lul s ILE 166 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1lul s ILE 166 CO -0.08 0.57 0.08 0.42 0.00 0.00 0.00 174.94 175.92 1lul s THR 167 N -0.37 0.04 -0.22 2.92 -4.23 0.17 -0.66 115.64 113.29 1lul s THR 167 Ca 0.04 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1lul s THR 167 Cb -0.12 -0.22 0.06 0.00 1.34 0.00 0.00 72.50 73.55 1lul s THR 167 CO 0.02 -0.18 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.40 1lul s TYR 168 N -0.56 2.27 -0.44 3.99 5.04 -0.39 -0.85 117.35 126.41 1lul s TYR 168 Ca -0.06 -1.63 -0.22 0.00 -2.44 0.00 0.00 57.07 52.72 1lul s TYR 168 Cb -0.04 -1.53 0.02 0.00 0.35 0.00 0.00 41.96 40.76 1lul s TYR 168 CO 0.00 -0.75 0.71 1.21 -1.34 0.00 0.00 175.55 175.39 1lul s ASN 169 N 1.44 6.37 0.49 4.32 3.84 -0.60 -2.38 114.94 128.42 1lul s ASN 169 Ca -0.04 -0.21 0.19 0.00 0.21 0.00 0.00 52.86 53.00 1lul s ASN 169 Cb -0.18 -2.35 1.23 0.00 -0.55 0.00 0.00 41.25 39.39 1lul s ASN 169 CO -0.07 -0.84 2.07 0.00 -2.79 0.00 0.00 177.10 175.47 1lul h ALA 170 N 8.91 1.67 -0.54 1.71 0.00 -1.87 0.54 119.26 129.68 1lul h ALA 170 Ca -0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1lul h ALA 170 Cb 1.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1lul h ALA 170 CO 0.92 0.14 -0.12 0.00 0.00 0.00 0.00 179.25 180.20 1lul h ALA 171 N 1.88 0.76 0.00 0.00 0.00 -1.91 -3.14 119.26 116.85 1lul h ALA 171 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1lul h ALA 171 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lul h ALA 171 CO 0.01 0.68 -1.01 0.25 0.00 0.00 0.00 179.25 179.18 1lul n THR 172 N -4.14 0.00 -1.86 0.00 -2.24 -1.07 -4.95 114.28 100.02 1lul n THR 172 Ca 0.01 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 1lul n THR 172 Cb 0.41 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1lul n THR 172 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1lul n SER 173 N -1.52 -5.51 -4.73 3.42 7.64 0.19 -4.87 113.62 108.23 1lul n SER 173 Ca 0.03 0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 1lul n SER 173 Cb 0.33 -4.69 -0.07 0.00 -1.01 0.00 0.00 64.21 58.77 1lul n SER 173 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1lul s LEU 174 N -4.97 4.25 -0.17 -3.43 2.96 -1.05 0.15 118.68 116.42 1lul s LEU 174 Ca 0.00 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1lul s LEU 174 Cb 0.00 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1lul s LEU 174 CO 0.00 0.11 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.90 1lul s LEU 175 N 0.40 3.28 0.00 -0.68 2.96 0.12 -1.56 118.68 123.20 1lul s LEU 175 Ca 0.17 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1lul s LEU 175 Cb -0.13 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1lul s LEU 175 CO 0.04 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.36 1lul s VAL 176 N 0.56 1.25 0.03 1.68 1.01 -0.03 -1.88 120.40 123.03 1lul s VAL 176 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1lul s VAL 176 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1lul s VAL 176 CO 0.02 0.27 -0.07 0.00 0.00 0.00 0.00 175.10 175.33 1lul s ALA 177 N -0.50 0.47 -0.19 5.51 0.00 -0.61 -0.66 121.76 125.78 1lul s ALA 177 Ca 0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1lul s ALA 177 Cb -0.07 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1lul s ALA 177 CO -0.00 -0.03 0.43 -1.54 0.00 0.00 0.00 175.76 174.62 1lul s SER 178 N -1.38 -0.39 0.07 0.00 1.04 -0.92 -1.42 113.70 110.69 1lul s SER 178 Ca -0.10 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.33 1lul s SER 178 Cb -0.09 1.17 -0.04 0.00 0.10 0.00 0.00 66.02 67.16 1lul s SER 178 CO 0.00 -0.22 0.17 -0.76 0.98 0.00 0.00 173.24 173.42 1lul s LEU 179 N 2.15 4.20 -0.12 2.42 1.43 -1.02 -1.65 118.68 126.09 1lul s LEU 179 Ca -0.05 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1lul s LEU 179 Cb -0.10 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.35 1lul s LEU 179 CO -0.13 0.17 0.26 -0.69 0.23 0.00 0.00 176.35 176.19 1lul s VAL 180 N -1.48 -0.22 -0.43 -1.59 1.01 -0.22 -1.99 120.40 115.49 1lul s VAL 180 Ca 0.33 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1lul s VAL 180 Cb -0.13 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1lul s VAL 180 CO 0.26 0.09 0.30 -1.00 0.00 0.00 0.00 175.10 174.75 1lul s HIS 181 N 1.81 3.31 0.26 5.22 3.76 -0.94 -1.08 115.29 127.63 1lul s HIS 181 Ca -0.04 -1.36 -0.01 0.00 -0.15 0.00 0.00 55.06 53.50 1lul s HIS 181 Cb -0.11 -3.02 0.34 0.00 1.11 0.00 0.00 32.58 30.90 1lul s HIS 181 CO -0.09 -0.83 1.72 -1.35 -0.85 0.00 0.00 174.74 173.34 1lul h PRO 182 N 8.51 0.67 -1.03 8.40 0.11 -1.85 0.30 132.00 147.11 1lul h PRO 182 Ca -0.24 -0.22 0.27 0.00 0.11 0.00 0.00 66.00 65.91 1lul h PRO 182 Cb 1.09 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.02 1lul h PRO 182 CO 0.79 0.78 0.62 0.77 -0.21 0.00 0.00 178.00 180.75 1lul h SER 183 N 0.60 0.58 -0.04 -2.05 0.02 -1.92 -1.90 113.55 108.84 1lul h SER 183 Ca 0.10 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1lul h SER 183 Cb 0.59 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1lul h SER 183 CO 0.04 0.05 0.00 0.54 -1.14 0.00 0.00 176.83 176.32 1lul n ARG 184 N -4.84 1.87 -4.37 3.45 5.12 -1.01 -5.00 116.66 111.88 1lul n ARG 184 Ca 0.28 -2.38 -0.39 0.00 -1.93 0.00 0.00 57.85 53.43 1lul n ARG 184 Cb 0.84 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 1lul n ARG 184 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1lul n ARG 185 N -1.08 -1.62 -3.91 5.56 1.74 0.04 -4.94 116.66 112.46 1lul n ARG 185 Ca 0.13 0.22 -0.32 0.00 -0.77 0.00 0.00 57.85 57.11 1lul n ARG 185 Cb 0.58 -4.85 -0.04 0.00 -1.02 0.00 0.00 32.46 27.13 1lul n ARG 185 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1lul s THR 186 N -3.22 5.40 -0.01 0.55 -4.23 -0.87 -4.98 115.64 108.28 1lul s THR 186 Ca 0.78 -0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.90 1lul s THR 186 Cb -0.45 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1lul s THR 186 CO 0.96 0.19 0.15 -0.94 -0.54 0.00 0.00 174.62 174.43 1lul s SER 187 N -2.35 -0.01 -0.03 3.99 1.04 -1.26 -2.21 113.70 112.87 1lul s SER 187 Ca 0.33 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 1lul s SER 187 Cb -0.13 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1lul s SER 187 CO 0.25 -0.32 0.26 -0.31 0.98 0.00 0.00 173.24 174.11 1lul s TYR 188 N -1.12 -0.15 0.06 5.02 1.51 -0.84 -5.01 117.35 116.81 1lul s TYR 188 Ca -0.12 0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1lul s TYR 188 Cb -0.06 0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 1lul s TYR 188 CO 0.01 -0.31 -0.01 0.96 -1.11 0.00 0.00 175.55 175.10 1lul s ILE 189 N -0.99 0.21 -0.13 2.71 -5.25 -1.26 -2.43 121.20 114.06 1lul s ILE 189 Ca -0.11 -1.75 -0.10 0.00 -0.99 0.00 0.00 60.65 57.71 1lul s ILE 189 Cb -0.05 -1.51 0.04 0.00 2.95 0.00 0.00 42.46 43.89 1lul s ILE 189 CO 0.03 -0.95 0.33 -0.69 -1.79 0.00 0.00 174.94 171.86 1lul s VAL 190 N -3.92 -0.01 0.12 8.37 1.01 -0.51 -4.83 120.40 120.64 1lul s VAL 190 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1lul s VAL 190 Cb 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1lul s VAL 190 CO -0.10 0.02 -0.13 -0.94 0.00 0.00 0.00 175.10 173.95 1lul s SER 191 N 0.56 1.88 -0.30 3.32 1.04 -1.26 -1.58 113.70 117.37 1lul s SER 191 Ca -0.03 -0.84 -0.19 0.00 0.48 0.00 0.00 55.95 55.36 1lul s SER 191 Cb -0.05 -0.05 0.19 0.00 0.10 0.00 0.00 66.02 66.22 1lul s SER 191 CO -0.03 -0.19 1.27 -0.70 0.98 0.00 0.00 173.24 174.57 1lul s GLU 192 N -2.87 0.11 0.50 4.02 2.56 -0.79 -4.94 118.70 117.28 1lul s GLU 192 Ca 0.10 0.16 -0.22 0.00 0.00 0.00 0.00 54.97 55.01 1lul s GLU 192 Cb -0.03 0.03 -0.06 0.00 2.00 0.00 0.00 34.13 36.06 1lul s GLU 192 CO 0.02 -0.02 1.19 1.03 -0.56 0.00 0.00 175.26 176.93 1lul s ARG 193 N 0.74 3.54 -0.19 4.30 0.52 -1.26 -0.70 118.95 125.90 1lul s ARG 193 Ca -0.03 1.83 -0.06 0.00 -0.52 0.00 0.00 55.73 56.95 1lul s ARG 193 Cb -0.03 -2.29 0.09 0.00 0.52 0.00 0.00 34.95 33.24 1lul s ARG 193 CO -0.12 -0.75 0.36 0.08 0.02 0.00 0.00 175.30 174.90 1lul s VAL 194 N -1.54 -0.57 -1.30 3.52 1.01 0.12 -4.85 120.40 116.80 1lul s VAL 194 Ca 0.67 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 1lul s VAL 194 Cb -0.30 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1lul s VAL 194 CO 0.35 0.05 1.74 -0.67 0.00 0.00 0.00 175.10 176.57 1lul n ASP 195 N 5.37 4.92 -0.32 3.32 2.03 -1.26 -4.78 116.55 125.83 1lul n ASP 195 Ca -0.07 -2.92 0.28 0.00 0.52 0.00 0.00 54.79 52.60 1lul n ASP 195 Cb 0.50 -1.73 0.61 0.00 -0.72 0.00 0.00 41.12 39.77 1lul n ASP 195 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1lul h ILE 196 N 5.45 0.46 0.00 5.18 2.10 -1.97 -0.87 117.51 127.86 1lul h ILE 196 Ca 0.45 -0.08 -0.03 0.00 1.08 0.00 0.00 64.86 66.28 1lul h ILE 196 Cb 0.86 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1lul h ILE 196 CO 1.46 0.04 -0.12 0.71 -1.08 0.00 0.00 178.15 179.16 1lul h THR 197 N 0.22 0.41 0.00 2.19 1.35 -1.87 -2.36 112.91 112.85 1lul h THR 197 Ca 0.59 -0.67 -0.16 0.00 -0.55 0.00 0.00 66.41 65.62 1lul h THR 197 Cb 1.83 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 1lul h THR 197 CO -0.19 0.12 -1.77 0.59 -0.25 0.00 0.00 175.52 174.02 1lul n ASN 198 N -3.41 0.42 0.11 5.36 5.03 -0.35 -4.37 115.26 118.06 1lul n ASN 198 Ca -0.01 0.18 0.12 0.00 0.87 0.00 0.00 54.58 55.74 1lul n ASN 198 Cb 0.30 0.88 0.01 0.00 -1.02 0.00 0.00 39.78 39.94 1lul n ASN 198 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1lul h GLU 199 N 0.00 0.00 -4.41 3.52 4.39 -1.33 -3.49 114.58 113.26 1lul h GLU 199 Ca -0.20 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.31 1lul h GLU 199 Cb 1.54 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.04 1lul h GLU 199 CO 0.03 0.00 -0.58 -0.51 -1.16 0.00 0.00 179.01 176.79 1lul s LEU 200 N -5.42 1.35 0.79 1.33 1.43 -0.90 -3.61 118.68 113.65 1lul s LEU 200 Ca -0.00 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.74 1lul s LEU 200 Cb 0.09 0.49 0.07 0.00 0.03 0.00 0.00 46.19 46.87 1lul s LEU 200 CO 0.78 -0.82 1.11 -2.84 0.23 0.00 0.00 176.35 174.82 1lul s PRO 201 N -4.09 2.15 0.30 1.29 0.02 -1.26 -4.74 135.00 128.66 1lul s PRO 201 Ca 0.30 0.49 -0.01 0.00 0.02 0.00 0.00 61.00 61.80 1lul s PRO 201 Cb 0.06 -1.94 0.45 0.00 0.02 0.00 0.00 34.50 33.10 1lul s PRO 201 CO 0.07 -1.54 1.90 1.49 -0.33 0.00 0.00 177.00 178.58 1lul h GLU 202 N -1.03 0.91 -5.02 5.54 4.81 -1.96 -3.41 114.58 114.42 1lul h GLU 202 Ca -0.47 -0.12 -0.61 0.00 -0.13 0.00 0.00 59.36 58.03 1lul h GLU 202 Cb 1.28 -0.17 -0.33 0.00 0.63 0.00 0.00 28.75 30.16 1lul h GLU 202 CO 0.62 0.71 -0.85 0.71 -0.73 0.00 0.00 179.01 179.46 1lul s TYR 203 N -5.51 2.13 0.39 0.92 1.51 -1.26 -0.54 117.35 114.98 1lul s TYR 203 Ca -0.10 -0.85 0.04 0.00 -1.01 0.00 0.00 57.07 55.15 1lul s TYR 203 Cb 0.17 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1lul s TYR 203 CO 0.79 -0.37 0.16 0.14 -1.11 0.00 0.00 175.55 175.16 1lul s VAL 204 N 0.48 0.47 -0.09 0.71 -7.23 -0.63 -4.40 120.40 109.72 1lul s VAL 204 Ca -0.17 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.04 1lul s VAL 204 Cb -0.17 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1lul s VAL 204 CO 0.07 0.00 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.19 1lul s SER 205 N -3.55 3.24 0.05 4.85 0.01 0.50 -1.91 113.70 116.89 1lul s SER 205 Ca 0.27 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1lul s SER 205 Cb 0.03 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1lul s SER 205 CO 0.17 0.20 0.09 0.27 0.41 0.00 0.00 173.24 174.38 1lul s ILE 206 N 0.12 4.67 -2.61 1.44 -4.36 -1.26 -1.90 121.20 117.30 1lul s ILE 206 Ca -0.11 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1lul s ILE 206 Cb -0.16 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.33 1lul s ILE 206 CO 0.06 0.19 0.00 0.61 0.24 0.00 0.00 174.94 176.05 1lul n GLY 207 N 0.65 -0.53 3.43 6.27 0.00 -0.86 -1.94 105.19 112.22 1lul n GLY 207 Ca -0.09 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 1lul n GLY 207 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lul s PHE 208 N -3.03 2.04 -0.20 1.61 0.40 0.15 -0.88 117.98 118.08 1lul s PHE 208 Ca 0.00 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 55.67 1lul s PHE 208 Cb 0.00 -1.03 0.06 0.00 0.51 0.00 0.00 43.02 42.56 1lul s PHE 208 CO 0.00 0.47 0.49 0.45 0.70 0.00 0.00 175.22 177.33 1lul s SER 209 N -3.45 -0.61 -0.02 1.36 0.15 -0.77 -0.95 113.70 109.41 1lul s SER 209 Ca 0.28 1.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.91 1lul s SER 209 Cb -0.00 0.96 0.01 0.00 -1.71 0.00 0.00 66.02 65.28 1lul s SER 209 CO 0.12 -0.20 0.17 0.00 1.20 0.00 0.00 173.24 174.53 1lul s ALA 210 N 1.18 -0.41 0.30 5.45 0.00 -0.62 -0.67 121.76 126.99 1lul s ALA 210 Ca -0.07 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1lul s ALA 210 Cb -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1lul s ALA 210 CO -0.11 -0.17 0.11 0.95 0.00 0.00 0.00 175.76 176.53 1lul s THR 211 N -0.86 0.64 0.28 0.00 -4.23 -1.15 -1.88 115.64 108.44 1lul s THR 211 Ca -0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1lul s THR 211 Cb -0.05 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 1lul s THR 211 CO 0.01 0.00 0.06 0.42 -0.54 0.00 0.00 174.62 174.57 1lul s THR 212 N -3.58 0.92 1.12 3.99 -4.23 -0.93 -1.22 115.64 111.71 1lul s THR 212 Ca 0.36 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 1lul s THR 212 Cb 0.07 -2.62 0.25 0.00 1.34 0.00 0.00 72.50 71.54 1lul s THR 212 CO 0.15 -0.08 1.13 -0.83 -0.54 0.00 0.00 174.62 174.44 1lul s GLY 213 N -3.38 1.59 -0.21 3.99 0.00 -0.22 -4.32 107.32 104.77 1lul s GLY 213 Ca 0.35 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 1lul s GLY 213 CO 0.13 -0.02 -0.25 1.04 0.00 0.00 0.00 173.10 174.00 1lul n LEU 214 N -4.50 2.01 0.08 0.66 4.77 -1.26 0.90 117.00 119.66 1lul n LEU 214 Ca 0.11 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1lul n LEU 214 Cb 0.59 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1lul n LEU 214 CO 0.49 0.58 -0.17 0.77 -1.33 0.00 0.00 177.39 177.72 1lul h SER 215 N -0.52 0.35 -0.73 -1.43 4.64 -2.00 -3.42 113.55 110.44 1lul h SER 215 Ca -0.52 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 1lul h SER 215 Cb 1.56 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1lul h SER 215 CO -0.25 1.35 0.00 -1.22 -0.87 0.00 0.00 176.83 175.84 1lul n TYR 218 N -3.46 0.00 -3.88 4.77 4.01 -1.25 -5.07 117.16 112.28 1lul n TYR 218 Ca -0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.55 1lul n TYR 218 Cb 1.03 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 39.67 1lul n TYR 218 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1lul s THR 219 N -0.15 0.00 0.25 -0.72 -4.23 -0.88 -1.06 115.64 108.85 1lul s THR 219 Ca 0.00 -1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 59.24 1lul s THR 219 Cb 0.00 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1lul s THR 219 CO 0.00 0.00 0.90 -1.83 -0.54 0.00 0.00 174.62 173.15 1lul s GLU 220 N -3.82 1.65 0.15 3.99 -1.05 -1.21 -4.30 118.70 114.11 1lul s GLU 220 Ca 0.13 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1lul s GLU 220 Cb -0.05 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1lul s GLU 220 CO 0.08 -0.77 0.31 0.95 0.95 0.00 0.00 175.26 176.78 1lul s THR 221 N -2.69 5.29 -0.33 1.83 -4.23 0.62 -4.66 115.64 111.48 1lul s THR 221 Ca 0.16 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1lul s THR 221 Cb -0.04 -3.72 0.11 0.00 1.34 0.00 0.00 72.50 70.20 1lul s THR 221 CO 0.07 -0.08 0.15 -1.00 -0.54 0.00 0.00 174.62 173.21 1lul s HIS 222 N -1.75 1.11 -0.14 3.99 0.09 -1.26 -3.87 115.29 113.46 1lul s HIS 222 Ca 0.36 -1.54 0.01 0.00 -0.00 0.00 0.00 55.06 53.90 1lul s HIS 222 Cb -0.11 -1.32 0.02 0.00 -0.00 0.00 0.00 32.58 31.16 1lul s HIS 222 CO 0.28 -0.84 -0.17 -0.51 -0.00 0.00 0.00 174.74 173.50 1lul s ASP 223 N 1.49 2.77 -0.04 1.40 1.01 -1.14 -0.43 116.67 121.74 1lul s ASP 223 Ca 0.12 -0.52 -0.18 0.00 0.71 0.00 0.00 52.55 52.69 1lul s ASP 223 Cb -0.19 -1.25 -0.05 0.00 1.01 0.00 0.00 42.92 42.44 1lul s ASP 223 CO -0.20 0.00 0.48 -0.69 0.21 0.00 0.00 175.17 174.97 1lul s VAL 224 N 1.18 5.03 -0.24 -1.27 1.01 0.15 -1.99 120.40 124.27 1lul s VAL 224 Ca -0.01 1.00 0.05 0.00 0.00 0.00 0.00 61.98 63.02 1lul s VAL 224 Cb -0.14 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.25 1lul s VAL 224 CO -0.07 0.45 -0.17 0.18 0.00 0.00 0.00 175.10 175.50 1lul n LEU 225 N 2.67 2.38 -3.72 3.92 4.32 1.00 -1.53 117.00 126.05 1lul n LEU 225 Ca -0.10 -0.11 -0.13 0.00 -0.02 0.00 0.00 56.01 55.65 1lul n LEU 225 Cb 0.52 -0.62 -0.07 0.00 -1.62 0.00 0.00 43.42 41.62 1lul n LEU 225 CO 0.41 0.84 0.09 -0.94 -1.22 0.00 0.00 177.39 176.57 1lul s SER 226 N -6.27 -0.23 -0.11 -1.43 1.04 -1.21 -4.65 113.70 100.83 1lul s SER 226 Ca -0.29 0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1lul s SER 226 Cb 0.08 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1lul s SER 226 CO 0.64 -0.56 0.25 0.86 0.98 0.00 0.00 173.24 175.41 1lul s TRP 227 N -1.92 -0.35 0.03 5.02 -0.00 -0.55 -2.12 118.94 119.04 1lul s TRP 227 Ca -0.09 0.82 0.04 0.00 -0.00 0.00 0.00 56.10 56.87 1lul s TRP 227 Cb -0.03 0.05 -0.02 0.00 -0.00 0.00 0.00 33.47 33.48 1lul s TRP 227 CO 0.01 -0.24 -0.11 -1.12 -0.00 0.00 0.00 176.95 175.49 1lul s SER 228 N 1.32 1.27 -0.01 5.86 0.01 0.02 -0.78 113.70 121.39 1lul s SER 228 Ca -0.09 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 1lul s SER 228 Cb -0.10 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1lul s SER 228 CO -0.09 0.01 0.32 0.12 0.41 0.00 0.00 173.24 174.01 1lul s PHE 229 N -0.75 -0.19 -0.26 2.43 2.19 -0.26 -1.67 117.98 119.47 1lul s PHE 229 Ca -0.00 0.26 -0.19 0.00 0.33 0.00 0.00 56.93 57.32 1lul s PHE 229 Cb -0.07 0.11 0.07 0.00 -1.31 0.00 0.00 43.02 41.82 1lul s PHE 229 CO 0.01 -0.41 0.67 0.00 1.83 0.00 0.00 175.22 177.32 1lul s ALA 230 N -1.45 -1.75 0.04 11.12 0.00 -0.68 -0.75 121.76 128.29 1lul s ALA 230 Ca -0.13 2.14 0.04 0.00 0.00 0.00 0.00 51.96 54.02 1lul s ALA 230 Cb -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1lul s ALA 230 CO 0.04 -0.35 -0.12 -1.54 0.00 0.00 0.00 175.76 173.79 1lul s SER 231 N 1.02 1.38 -0.22 0.00 1.04 -0.17 -0.67 113.70 116.08 1lul s SER 231 Ca -0.05 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 1lul s SER 231 Cb -0.05 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.09 1lul s SER 231 CO -0.10 -0.04 0.08 -0.75 0.98 0.00 0.00 173.24 173.41 1lul s LYS 232 N -1.29 0.39 -0.22 4.02 2.20 -0.51 -2.45 119.74 121.88 1lul s LYS 232 Ca -0.02 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.06 1lul s LYS 232 Cb -0.08 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.38 1lul s LYS 232 CO 0.01 -0.78 0.11 -1.17 -0.36 0.00 0.00 175.35 173.17 1lul s LEU 233 N 1.96 3.97 0.00 5.43 2.96 -0.02 -2.79 118.68 130.20 1lul s LEU 233 Ca 0.04 0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1lul s LEU 233 Cb -0.17 -2.04 0.15 0.00 0.50 0.00 0.00 46.19 44.63 1lul s LEU 233 CO -0.17 0.11 0.90 -0.81 -1.32 0.00 0.00 176.35 175.07 1lul n PRO 234 N 3.97 -0.59 -0.08 0.98 -0.04 -1.26 -0.47 135.00 137.51 1lul n PRO 234 Ca -0.16 -1.72 -0.09 0.00 -0.04 0.00 0.00 63.50 61.49 1lul n PRO 234 Cb 0.52 -0.83 -0.10 0.00 -0.04 0.00 0.00 33.50 33.05 1lul n PRO 234 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lul n ASP 235 N -3.38 1.93 -4.96 3.54 9.92 -1.26 -4.81 116.55 117.53 1lul n ASP 235 Ca 0.12 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.13 1lul n ASP 235 Cb 0.44 0.38 -0.01 0.00 -0.64 0.00 0.00 41.12 41.28 1lul n ASP 235 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1lul s ASP 236 N -5.18 6.25 0.63 -2.24 -4.77 -1.26 -4.77 116.67 105.34 1lul s ASP 236 Ca -0.14 0.16 0.30 0.00 -3.30 0.00 0.00 52.55 49.57 1lul s ASP 236 Cb 0.05 -1.82 1.64 0.00 -1.09 0.00 0.00 42.92 41.70 1lul s ASP 236 CO 0.52 -0.20 1.97 0.77 0.70 0.00 0.00 175.17 178.92 1lul h SER 237 N 0.98 0.00 -1.21 2.11 4.64 -1.86 -3.40 113.55 114.82 1lul h SER 237 Ca -0.50 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.16 1lul h SER 237 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1lul h SER 237 CO 0.60 0.00 1.44 0.41 -0.87 0.00 0.00 176.83 178.41 1lul n THR 238 N -3.26 0.20 -3.35 2.95 -1.04 -1.26 -4.47 114.28 104.04 1lul n THR 238 Ca 0.01 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.05 61.34 1lul n THR 238 Cb 0.43 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 1lul n THR 238 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1lul s THR 239 N 7.57 4.88 -0.27 12.58 -4.23 -1.26 -4.80 115.64 130.11 1lul s THR 239 Ca 1.08 1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 62.66 1lul s THR 239 Cb -0.78 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 69.32 1lul s THR 239 CO 0.47 0.54 0.04 -1.61 -0.54 0.00 0.00 174.62 173.52 1lul s GLU 240 N -0.93 1.01 0.92 3.99 2.02 -1.26 -4.81 118.70 119.64 1lul s GLU 240 Ca 0.27 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 1lul s GLU 240 Cb -0.18 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1lul s GLU 240 CO 0.16 -0.82 0.26 -2.30 0.02 0.00 0.00 175.26 172.58 1lul n PRO 241 N 4.77 -0.18 -0.18 0.39 -0.02 -1.26 -4.78 135.00 133.75 1lul n PRO 241 Ca -0.05 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 1lul n PRO 241 Cb 0.43 -1.74 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1lul n PRO 241 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1lul n LEU 242 N -0.54 0.00 -4.08 2.45 0.00 -1.26 -5.01 117.00 108.56 1lul n LEU 242 Ca 0.06 -0.14 -0.35 0.00 0.00 0.00 0.00 56.01 55.59 1lul n LEU 242 Cb 0.53 -0.10 -0.12 0.00 0.00 0.00 0.00 43.42 43.73 1lul n LEU 242 CO 0.51 -0.65 -0.16 -0.62 0.00 0.00 0.00 177.39 176.47 1lul s ASP 243 N -1.51 5.06 -0.10 1.96 2.15 -1.26 -4.89 116.67 118.09 1lul s ASP 243 Ca 0.07 -2.33 -0.27 0.00 0.43 0.00 0.00 52.55 50.45 1lul s ASP 243 Cb -0.00 -1.78 -0.25 0.00 -0.30 0.00 0.00 42.92 40.59 1lul s ASP 243 CO 0.05 -0.44 0.89 0.40 -0.17 0.00 0.00 175.17 175.90 1lul h ILE 244 N 6.09 1.67 -0.89 4.11 2.04 -1.95 1.26 117.51 129.84 1lul h ILE 244 Ca -0.08 -2.15 0.26 0.00 1.00 0.00 0.00 64.86 63.89 1lul h ILE 244 Cb 1.01 3.11 -0.16 0.00 -0.74 0.00 0.00 36.82 40.03 1lul h ILE 244 CO 0.67 0.57 0.09 0.00 0.00 0.00 0.00 178.15 179.48 1lul n ALA 245 N -2.57 0.53 -0.08 1.87 0.00 -1.26 -0.67 120.51 118.32 1lul n ALA 245 Ca -0.10 0.95 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 1lul n ALA 245 Cb 0.50 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 1lul n ALA 245 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lul h SER 246 N 0.00 0.00 -1.73 0.00 0.87 -1.96 -3.37 113.55 107.37 1lul h SER 246 Ca 0.57 -0.36 0.51 0.00 -1.23 0.00 0.00 61.79 61.28 1lul h SER 246 Cb 1.25 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.12 1lul h SER 246 CO -0.81 1.01 1.22 0.22 -0.53 0.00 0.00 176.83 177.94 1lul h TYR 247 N -1.00 0.12 0.00 2.24 5.03 0.29 -2.86 116.97 120.79 1lul h TYR 247 Ca -0.12 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1lul h TYR 247 Cb 0.79 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.04 1lul h TYR 247 CO 0.02 -0.05 0.00 1.28 -1.32 0.00 0.00 178.16 178.09 1lul n LEU 248 N -4.14 2.19 -0.32 2.82 4.77 0.15 -1.51 117.00 120.97 1lul n LEU 248 Ca 0.40 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.51 1lul n LEU 248 Cb 1.79 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 42.80 1lul n LEU 248 CO 0.39 -0.10 0.47 0.52 -1.33 0.00 0.00 177.39 177.34 1lul n VAL 249 N -0.81 -0.45 -0.35 4.08 0.31 -1.22 0.59 118.33 120.48 1lul n VAL 249 Ca 0.00 1.93 -0.00 0.00 -0.01 0.00 0.00 64.34 66.26 1lul n VAL 249 Cb 0.00 -2.54 0.13 0.00 -0.91 0.00 0.00 33.84 30.52 1lul n VAL 249 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1lul h ARG 250 N 0.00 1.14 0.00 5.55 -0.00 -1.69 -2.92 114.38 116.45 1lul h ARG 250 Ca 0.27 -0.07 -0.30 0.00 -0.50 0.00 0.00 59.98 59.38 1lul h ARG 250 Cb 0.48 -0.26 -0.05 0.00 0.00 0.00 0.00 29.97 30.14 1lul h ARG 250 CO -0.81 0.75 -2.05 0.09 0.00 0.00 0.00 179.97 177.95 1lul n ASN 251 N -4.50 1.77 -0.05 7.04 4.13 0.28 -4.85 115.26 119.08 1lul n ASN 251 Ca 0.13 0.12 -0.19 0.00 1.68 0.00 0.00 54.58 56.32 1lul n ASN 251 Cb 0.10 -0.47 -0.13 0.00 -1.54 0.00 0.00 39.78 37.74 1lul n ASN 251 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1lul n VAL 252 N -3.57 1.64 1.55 2.41 0.31 2.43 -4.97 118.33 118.12 1lul n VAL 252 Ca -0.36 -0.64 0.14 0.00 -0.01 0.00 0.00 64.34 63.47 1lul n VAL 252 Cb 0.79 -1.49 0.57 0.00 -0.91 0.00 0.00 33.84 32.79 1lul n VAL 252 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69