#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urm n ALA 1 N 0.00 2.65 -1.72 -0.43 0.00 -1.26 -4.48 120.51 115.27 1urm n ALA 1 Ca 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 1urm n ALA 1 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 1urm n ALA 1 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1urm n PRO 2 N 3.59 2.59 -2.00 0.00 -0.02 -1.26 -4.31 135.00 133.58 1urm n PRO 2 Ca 0.15 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.18 1urm n PRO 2 Cb 0.35 -2.72 0.02 0.00 -0.02 0.00 0.00 33.50 31.13 1urm n PRO 2 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1urm s ILE 3 N 0.51 2.56 0.13 4.25 2.07 -0.57 -4.98 121.20 125.17 1urm s ILE 3 Ca 0.70 0.41 -0.03 0.00 -1.41 0.00 0.00 60.65 60.32 1urm s ILE 3 Cb -0.54 -3.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.82 1urm s ILE 3 CO 0.42 -0.02 0.12 -1.59 -1.91 0.00 0.00 174.94 171.96 1urm s LYS 4 N -2.88 0.97 0.23 3.50 -2.85 -1.26 -5.06 119.74 112.39 1urm s LYS 4 Ca 0.69 -1.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.01 1urm s LYS 4 Cb -0.34 0.28 -0.14 0.00 -2.06 0.00 0.00 37.83 35.57 1urm s LYS 4 CO 0.40 -0.30 1.34 0.28 0.10 0.00 0.00 175.35 177.18 1urm n VAL 5 N -0.11 0.99 0.00 1.79 0.31 -1.26 -1.45 118.33 118.60 1urm n VAL 5 Ca -0.07 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1urm n VAL 5 Cb 0.63 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1urm n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1urm n GLY 6 N 2.07 2.75 3.81 2.92 0.00 0.18 -4.99 105.19 111.91 1urm n GLY 6 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1urm n GLY 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1urm s ASP 7 N -1.26 6.22 0.31 1.61 1.01 -0.53 -4.72 116.67 119.32 1urm s ASP 7 Ca 0.00 1.83 -0.28 0.00 0.71 0.00 0.00 52.55 54.81 1urm s ASP 7 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1urm s ASP 7 CO 0.00 -0.86 1.08 0.00 0.21 0.00 0.00 175.17 175.59 1urm s ALA 8 N -2.24 3.31 0.19 5.23 0.00 -1.26 -0.29 121.76 126.70 1urm s ALA 8 Ca 0.65 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1urm s ALA 8 Cb -0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1urm s ALA 8 CO 0.27 -0.16 1.55 -1.50 0.00 0.00 0.00 175.76 175.91 1urm s ILE 9 N -1.31 2.58 0.55 0.00 2.07 0.59 -4.86 121.20 120.82 1urm s ILE 9 Ca 0.48 0.43 -0.20 0.00 -1.41 0.00 0.00 60.65 59.95 1urm s ILE 9 Cb -0.29 -3.28 -0.05 0.00 0.13 0.00 0.00 42.46 38.98 1urm s ILE 9 CO 0.37 0.04 1.23 -2.16 -1.91 0.00 0.00 174.94 172.51 1urm s PRO 10 N 0.72 3.20 -1.52 3.50 0.04 -1.26 -4.59 135.00 135.09 1urm s PRO 10 Ca 0.67 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.52 1urm s PRO 10 Cb -0.44 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1urm s PRO 10 CO 0.35 -1.04 2.70 0.00 0.04 0.00 0.00 177.00 179.05 1urm n ALA 11 N -1.21 7.11 -2.25 8.56 0.00 -1.26 -3.69 120.51 127.76 1urm n ALA 11 Ca 0.11 -3.74 -0.39 0.00 0.00 0.00 0.00 53.44 49.42 1urm n ALA 11 Cb 0.48 -3.22 -0.06 0.00 0.00 0.00 0.00 19.45 16.66 1urm n ALA 11 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1urm s VAL 12 N 1.31 4.66 -0.08 0.00 1.01 -1.26 -4.76 120.40 121.27 1urm s VAL 12 Ca 0.62 1.44 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 1urm s VAL 12 Cb 0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1urm s VAL 12 CO -0.07 0.48 0.61 -1.61 0.00 0.00 0.00 175.10 174.51 1urm s GLU 13 N -0.74 4.40 0.31 2.72 0.41 -1.26 -0.64 118.70 123.89 1urm s GLU 13 Ca 0.33 0.70 0.03 0.00 -0.41 0.00 0.00 54.97 55.63 1urm s GLU 13 Cb -0.20 -3.44 -0.01 0.00 -1.78 0.00 0.00 34.13 28.69 1urm s GLU 13 CO 0.21 0.11 0.12 1.33 -0.49 0.00 0.00 175.26 176.55 1urm n VAL 14 N 3.70 0.00 -4.13 2.63 0.24 0.12 -4.96 118.33 115.94 1urm n VAL 14 Ca -0.04 -1.82 -0.14 0.00 -2.04 0.00 0.00 64.34 60.30 1urm n VAL 14 Cb 0.51 0.68 -0.11 0.00 -1.47 0.00 0.00 33.84 33.46 1urm n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1urm s PHE 15 N -2.75 0.92 -0.11 6.34 0.08 0.11 -0.27 117.98 122.29 1urm s PHE 15 Ca 0.17 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1urm s PHE 15 Cb 0.01 -0.52 0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1urm s PHE 15 CO 0.12 -0.04 0.00 -2.00 -0.10 0.00 0.00 175.22 173.21 1urm s GLU 16 N -2.20 0.72 0.00 0.44 2.12 0.31 0.21 118.70 120.29 1urm s GLU 16 Ca -0.02 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.22 1urm s GLU 16 Cb -0.06 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.94 1urm s GLU 16 CO 0.00 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1urm n GLY 17 N 5.10 1.58 3.21 -1.50 0.00 -1.26 -4.50 105.19 107.81 1urm n GLY 17 Ca -0.08 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1urm n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1urm s GLU 18 N 0.00 0.65 0.63 1.61 -1.05 -1.26 -4.32 118.70 114.96 1urm s GLU 18 Ca 0.00 -0.30 0.36 0.00 -0.15 0.00 0.00 54.97 54.88 1urm s GLU 18 Cb 0.00 0.28 2.09 0.00 -0.44 0.00 0.00 34.13 36.06 1urm s GLU 18 CO 0.00 -0.18 2.29 -1.35 0.95 0.00 0.00 175.26 176.97 1urm h PRO 19 N 3.85 0.00 -0.01 -4.83 0.11 -1.87 -2.41 132.00 126.85 1urm h PRO 19 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1urm h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1urm h PRO 19 CO 0.41 0.00 -0.06 0.41 -0.21 0.00 0.00 178.00 178.55 1urm n GLY 20 N -1.22 -0.41 3.31 -0.55 0.00 -1.26 -4.68 105.19 100.38 1urm n GLY 20 Ca -0.03 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1urm n GLY 20 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1urm s ASN 21 N -2.16 6.23 0.07 1.61 0.01 -0.91 -5.04 114.94 114.75 1urm s ASN 21 Ca 0.36 -1.83 -0.16 0.00 -0.71 0.00 0.00 52.86 50.51 1urm s ASN 21 Cb 0.21 -2.21 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 1urm s ASN 21 CO 0.39 -0.85 0.51 -0.54 -1.51 0.00 0.00 177.10 175.10 1urm s LYS 22 N 1.56 4.04 -0.05 -0.60 1.02 -1.26 -0.53 119.74 123.91 1urm s LYS 22 Ca 0.04 0.55 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1urm s LYS 22 Cb -0.28 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1urm s LYS 22 CO 0.02 0.60 -0.05 0.08 -0.92 0.00 0.00 175.35 175.08 1urm s VAL 23 N -1.22 0.63 -0.28 3.17 1.01 0.62 -4.91 120.40 119.42 1urm s VAL 23 Ca 0.30 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 1urm s VAL 23 Cb -0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1urm s VAL 23 CO 0.17 0.25 0.41 0.21 0.00 0.00 0.00 175.10 176.15 1urm s ASN 24 N 1.02 6.28 0.36 3.32 3.84 -1.26 0.13 114.94 128.63 1urm s ASN 24 Ca -0.09 0.24 0.05 0.00 0.21 0.00 0.00 52.86 53.27 1urm s ASN 24 Cb -0.14 -2.23 0.72 0.00 -0.55 0.00 0.00 41.25 39.05 1urm s ASN 24 CO -0.00 -0.25 1.99 -0.07 -2.79 0.00 0.00 177.10 175.98 1urm h LEU 25 N 8.70 0.67 -0.82 3.21 3.38 -1.11 -0.06 115.31 129.27 1urm h LEU 25 Ca -0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1urm h LEU 25 Cb 1.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1urm h LEU 25 CO 0.67 0.46 0.43 0.00 0.09 0.00 0.00 178.44 180.09 1urm h ALA 26 N 1.62 1.06 -0.24 1.53 0.00 -1.80 -2.74 119.26 118.69 1urm h ALA 26 Ca 0.27 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1urm h ALA 26 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1urm h ALA 26 CO -0.08 0.58 -0.45 0.93 0.00 0.00 0.00 179.25 180.24 1urm h GLU 27 N 1.15 0.60 -0.77 0.00 4.39 -1.56 -2.60 114.58 115.80 1urm h GLU 27 Ca 0.29 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1urm h GLU 27 Cb 0.06 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1urm h GLU 27 CO -0.04 0.93 0.47 1.25 -1.16 0.00 0.00 179.01 180.46 1urm h LEU 28 N 0.49 0.91 -2.31 1.33 5.85 -0.78 -2.08 115.31 118.72 1urm h LEU 28 Ca 0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1urm h LEU 28 Cb 0.98 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1urm h LEU 28 CO 0.09 0.70 0.00 0.49 -0.34 0.00 0.00 178.44 179.38 1urm n PHE 29 N -4.39 0.49 -2.46 1.25 3.72 -1.07 -4.89 117.46 110.12 1urm n PHE 29 Ca 0.08 -0.24 -0.41 0.00 -0.05 0.00 0.00 57.45 56.82 1urm n PHE 29 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1urm n PHE 29 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1urm s LYS 30 N -1.51 4.50 -0.47 -1.08 2.20 -0.78 -2.23 119.74 120.37 1urm s LYS 30 Ca 0.39 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1urm s LYS 30 Cb 0.23 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1urm s LYS 30 CO 0.32 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1urm n GLY 31 N 2.60 0.72 3.18 5.54 0.00 -1.26 -4.95 105.19 111.02 1urm n GLY 31 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1urm n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urm s LYS 32 N -2.12 0.76 -0.17 1.61 1.02 -1.20 -4.95 119.74 114.70 1urm s LYS 32 Ca 0.00 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 55.04 1urm s LYS 32 Cb 0.00 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1urm s LYS 32 CO 0.00 -0.23 0.11 0.21 -0.92 0.00 0.00 175.35 174.52 1urm s LYS 33 N -3.40 3.93 0.25 1.68 2.20 -1.26 0.25 119.74 123.39 1urm s LYS 33 Ca 0.01 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1urm s LYS 33 Cb 0.03 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1urm s LYS 33 CO -0.08 0.42 0.28 0.20 -0.36 0.00 0.00 175.35 175.80 1urm s GLY 34 N 0.00 1.44 -0.05 5.54 0.00 0.12 -0.41 107.32 113.96 1urm s GLY 34 Ca 0.09 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.27 1urm s GLY 34 CO -0.00 -1.21 -0.20 0.14 0.00 0.00 0.00 173.10 171.83 1urm s VAL 35 N -3.84 1.70 -0.12 1.40 1.01 0.12 -0.56 120.40 120.11 1urm s VAL 35 Ca 0.35 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1urm s VAL 35 Cb 0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1urm s VAL 35 CO 0.16 0.48 -0.17 -0.22 0.00 0.00 0.00 175.10 175.34 1urm s LEU 36 N 0.01 2.46 0.09 3.92 2.96 -0.31 -0.83 118.68 126.97 1urm s LEU 36 Ca -0.05 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1urm s LEU 36 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1urm s LEU 36 CO 0.03 0.16 -0.14 0.72 -1.32 0.00 0.00 176.35 175.80 1urm s PHE 37 N 0.38 1.27 0.11 5.38 -0.71 0.19 0.13 117.98 124.73 1urm s PHE 37 Ca -0.14 -0.50 0.11 0.00 -1.04 0.00 0.00 56.93 55.36 1urm s PHE 37 Cb -0.17 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 40.91 1urm s PHE 37 CO 0.07 0.08 -0.26 0.20 -1.34 0.00 0.00 175.22 173.96 1urm s GLY 38 N -1.98 1.55 0.14 1.99 0.00 0.11 -0.02 107.32 109.11 1urm s GLY 38 Ca 0.02 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.39 1urm s GLY 38 CO 0.02 -1.38 -0.18 -1.34 0.00 0.00 0.00 173.10 170.23 1urm s VAL 39 N -1.01 1.66 0.44 1.40 -7.23 -0.51 -2.29 120.40 112.87 1urm s VAL 39 Ca 0.14 -1.76 0.14 0.00 -1.81 0.00 0.00 61.98 58.69 1urm s VAL 39 Cb -0.10 -1.67 0.18 0.00 0.56 0.00 0.00 36.38 35.35 1urm s VAL 39 CO 0.05 -0.27 1.99 -0.65 -0.31 0.00 0.00 175.10 175.91 1urm h PRO 40 N 3.56 0.01 -1.55 4.82 0.11 -1.82 -3.39 132.00 133.74 1urm h PRO 40 Ca -0.43 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.76 1urm h PRO 40 Cb 1.20 -0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 1urm h PRO 40 CO 0.48 0.19 0.53 0.20 -0.21 0.00 0.00 178.00 179.19 1urm s GLY 41 N -4.18 -0.18 0.46 -0.55 0.00 -1.26 -4.39 107.32 97.21 1urm s GLY 41 Ca -0.04 2.41 -0.24 0.00 0.00 0.00 0.00 44.72 46.85 1urm s GLY 41 CO 0.70 1.44 1.28 0.00 0.00 0.00 0.00 173.10 176.52 1urm n ALA 42 N 1.43 1.35 -0.89 3.20 0.00 -1.26 -2.44 120.51 121.90 1urm n ALA 42 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1urm n ALA 42 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1urm n ALA 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1urm n PHE 43 N -0.43 0.00 -2.70 0.00 3.72 -1.26 -4.99 117.46 111.80 1urm n PHE 43 Ca 0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 1urm n PHE 43 Cb 0.41 -0.98 -0.06 0.00 -0.94 0.00 0.00 39.48 37.91 1urm n PHE 43 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1urm s THR 44 N -1.82 4.07 0.07 4.37 -4.23 -1.02 -4.89 115.64 112.19 1urm s THR 44 Ca 0.00 1.54 -0.27 0.00 -1.18 0.00 0.00 61.69 61.78 1urm s THR 44 Cb 0.00 -3.77 -0.17 0.00 1.34 0.00 0.00 72.50 69.90 1urm s THR 44 CO 0.00 -0.03 1.65 -0.65 -0.54 0.00 0.00 174.62 175.05 1urm h PRO 45 N 2.56 -0.38 -0.57 3.99 0.11 -1.94 0.12 132.00 135.89 1urm h PRO 45 Ca -0.48 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1urm h PRO 45 Cb 1.20 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1urm h PRO 45 CO 0.63 -0.23 0.07 0.78 -0.21 0.00 0.00 178.00 179.04 1urm h GLY 46 N -0.42 1.01 1.14 -0.55 0.00 -1.94 0.26 103.07 102.57 1urm h GLY 46 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1urm h GLY 46 CO 0.07 0.61 0.37 1.76 0.00 0.00 0.00 176.54 179.34 1urm h SER 47 N 0.88 1.00 0.58 0.19 0.02 -1.84 -0.18 113.55 114.20 1urm h SER 47 Ca 0.18 -0.12 -0.28 0.00 -0.84 0.00 0.00 61.79 60.73 1urm h SER 47 Cb 0.42 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1urm h SER 47 CO 0.01 0.85 -1.41 0.28 -1.14 0.00 0.00 176.83 175.42 1urm h SER 48 N 1.10 0.27 0.46 3.07 0.02 -0.15 0.28 113.55 118.60 1urm h SER 48 Ca 0.27 -0.36 -0.24 0.00 -0.84 0.00 0.00 61.79 60.61 1urm h SER 48 Cb 0.12 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1urm h SER 48 CO -0.03 1.30 -1.73 0.29 -1.14 0.00 0.00 176.83 175.52 1urm n LYS 49 N -3.40 0.64 0.04 3.45 5.02 0.86 -4.43 118.16 120.35 1urm n LYS 49 Ca -0.12 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1urm n LYS 49 Cb 1.02 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1urm n LYS 49 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1urm n THR 50 N -2.88 0.74 0.30 -0.18 -1.04 -0.36 -4.74 114.28 106.12 1urm n THR 50 Ca -0.16 0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 1urm n THR 50 Cb 0.96 -1.41 -0.06 0.00 -1.82 0.00 0.00 70.33 67.99 1urm n THR 50 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1urm h HIS 51 N 0.00 -0.75 0.08 -1.42 2.76 -0.99 -0.18 115.15 114.65 1urm h HIS 51 Ca 0.00 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1urm h HIS 51 Cb 0.26 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1urm h HIS 51 CO 0.00 -0.45 -0.04 1.25 -1.30 0.00 0.00 177.93 177.39 1urm h LEU 52 N -1.19 -0.10 -1.59 0.26 5.85 -1.19 -2.67 115.31 114.68 1urm h LEU 52 Ca -0.08 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1urm h LEU 52 Cb 0.64 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1urm h LEU 52 CO 0.14 0.03 0.30 -0.65 -0.34 0.00 0.00 178.44 177.92 1urm h PRO 53 N -0.22 0.53 -0.56 5.25 0.11 -1.76 -0.46 132.00 134.89 1urm h PRO 53 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.10 1urm h PRO 53 Cb 0.18 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 1urm h PRO 53 CO 0.02 0.35 0.32 0.78 -0.21 0.00 0.00 178.00 179.26 1urm h GLY 54 N 0.55 0.81 1.77 -0.55 0.00 -0.69 0.29 103.07 105.25 1urm h GLY 54 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1urm h GLY 54 CO -0.04 0.17 -0.46 0.74 0.00 0.00 0.00 176.54 176.95 1urm h PHE 55 N 0.62 0.30 -0.06 5.60 0.04 -0.95 -0.06 116.94 122.43 1urm h PHE 55 Ca 0.24 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1urm h PHE 55 Cb 0.09 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1urm h PHE 55 CO -0.08 0.67 -0.00 0.28 -0.60 0.00 0.00 178.31 178.58 1urm h VAL 56 N 0.20 1.26 -0.35 -0.55 2.07 -0.56 -2.91 116.25 115.42 1urm h VAL 56 Ca 0.01 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1urm h VAL 56 Cb 0.90 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1urm h VAL 56 CO 0.07 0.22 -0.07 1.05 0.02 0.00 0.00 177.57 178.86 1urm h GLU 57 N -0.18 0.57 -0.55 1.57 4.11 -0.27 -2.25 114.58 117.57 1urm h GLU 57 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1urm h GLU 57 Cb 0.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1urm h GLU 57 CO 0.00 0.65 0.00 1.04 0.07 0.00 0.00 179.01 180.77 1urm n GLN 58 N -4.22 2.31 -0.23 1.06 1.13 -0.05 -4.48 117.38 112.90 1urm n GLN 58 Ca 0.01 -1.41 0.01 0.00 -1.94 0.00 0.00 57.00 53.68 1urm n GLN 58 Cb 0.30 -1.54 0.13 0.00 0.11 0.00 0.00 30.24 29.24 1urm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1urm h ALA 59 N 3.37 0.92 -0.18 -1.58 0.00 -1.19 -0.08 119.26 120.52 1urm h ALA 59 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1urm h ALA 59 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1urm h ALA 59 CO 0.11 -0.13 -0.59 0.93 0.00 0.00 0.00 179.25 179.57 1urm h GLU 60 N 0.50 0.58 -0.78 0.00 3.07 -1.84 -0.70 114.58 115.41 1urm h GLU 60 Ca 0.34 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1urm h GLU 60 Cb 0.41 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 1urm h GLU 60 CO -0.30 1.00 0.45 0.00 -1.40 0.00 0.00 179.01 178.75 1urm h ALA 61 N 0.91 1.32 -0.23 3.43 0.00 -1.62 0.11 119.26 123.18 1urm h ALA 61 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1urm h ALA 61 Cb 1.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1urm h ALA 61 CO 0.11 0.57 -0.32 -0.07 0.00 0.00 0.00 179.25 179.54 1urm h LEU 62 N 1.08 0.69 -1.54 0.00 3.38 -0.73 -2.92 115.31 115.27 1urm h LEU 62 Ca 0.28 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1urm h LEU 62 Cb -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1urm h LEU 62 CO -0.05 1.06 0.38 0.11 0.09 0.00 0.00 178.44 180.03 1urm h LYS 63 N 0.34 0.55 0.00 1.13 1.57 -0.67 -0.36 116.57 119.13 1urm h LYS 63 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1urm h LYS 63 Cb 0.90 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1urm h LYS 63 CO 0.08 0.37 -0.03 0.00 -0.57 0.00 0.00 179.45 179.29 1urm h ALA 64 N 1.69 1.11 -0.70 3.86 0.00 -0.59 0.17 119.26 124.81 1urm h ALA 64 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1urm h ALA 64 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1urm h ALA 64 CO -0.07 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1urm n LYS 65 N -3.28 3.14 -0.52 0.00 4.76 -0.22 -4.93 118.16 117.10 1urm n LYS 65 Ca -0.02 -2.75 0.00 0.00 -2.87 0.00 0.00 58.31 52.67 1urm n LYS 65 Cb 0.17 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1urm n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1urm n GLY 66 N 1.42 0.75 3.67 0.72 0.00 0.60 -5.03 105.19 107.33 1urm n GLY 66 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1urm n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1urm s VAL 67 N -2.43 3.91 -0.29 1.61 1.01 -0.72 -4.35 120.40 119.14 1urm s VAL 67 Ca 0.00 1.18 0.15 0.00 0.00 0.00 0.00 61.98 63.30 1urm s VAL 67 Cb 0.00 -3.76 -0.20 0.00 0.00 0.00 0.00 36.38 32.42 1urm s VAL 67 CO 0.00 -0.07 0.45 0.00 0.00 0.00 0.00 175.10 175.48 1urm n GLN 68 N 6.28 1.16 -3.79 2.72 6.02 0.45 -3.83 117.38 126.39 1urm n GLN 68 Ca 0.14 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 1urm n GLN 68 Cb 0.44 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 30.28 1urm n GLN 68 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1urm s VAL 69 N -2.77 -0.01 -0.07 5.09 0.11 -1.21 -5.04 120.40 116.49 1urm s VAL 69 Ca -0.01 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1urm s VAL 69 Cb 0.10 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1urm s VAL 69 CO 0.61 0.02 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.64 1urm s VAL 70 N 0.41 0.87 0.01 2.04 1.01 -1.26 -0.70 120.40 122.78 1urm s VAL 70 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1urm s VAL 70 Cb -0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1urm s VAL 70 CO -0.02 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.28 1urm s ALA 71 N 1.12 0.92 -0.19 5.51 0.00 -0.01 -0.21 121.76 128.90 1urm s ALA 71 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1urm s ALA 71 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1urm s ALA 71 CO -0.01 0.20 -0.07 0.00 0.00 0.00 0.00 175.76 175.88 1urm s LEU 73 N 1.04 3.26 0.00 0.00 2.96 0.97 0.46 118.68 127.37 1urm s LEU 73 Ca 0.00 0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1urm s LEU 73 Cb -0.15 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1urm s LEU 73 CO -0.01 0.34 0.22 -0.55 -1.32 0.00 0.00 176.35 175.04 1urm s SER 74 N -0.69 -0.07 -1.06 3.68 0.15 -0.59 -1.42 113.70 113.71 1urm s SER 74 Ca 0.11 -0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.45 1urm s SER 74 Cb -0.11 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.55 1urm s SER 74 CO 0.02 -0.44 1.39 -0.69 1.20 0.00 0.00 173.24 174.72 1urm s VAL 75 N -1.57 4.33 0.19 4.45 1.01 -1.26 -0.74 120.40 126.82 1urm s VAL 75 Ca -0.13 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1urm s VAL 75 Cb -0.06 -4.98 0.02 0.00 0.00 0.00 0.00 36.38 31.37 1urm s VAL 75 CO 0.02 -1.78 0.49 0.20 0.00 0.00 0.00 175.10 174.02 1urm s ASN 76 N 4.20 -0.20 0.66 3.32 -0.87 -1.25 -4.86 114.94 115.93 1urm s ASN 76 Ca 0.43 -0.57 -0.11 0.00 -1.57 0.00 0.00 52.86 51.04 1urm s ASN 76 Cb -0.01 0.56 -0.02 0.00 -0.02 0.00 0.00 41.25 41.76 1urm s ASN 76 CO -0.06 -1.04 1.05 1.51 -2.57 0.00 0.00 177.10 175.99 1urm s ASP 77 N -2.90 5.80 0.51 -1.22 1.47 -1.26 -2.76 116.67 116.31 1urm s ASP 77 Ca 0.11 1.49 0.30 0.00 1.18 0.00 0.00 52.55 55.63 1urm s ASP 77 Cb -0.00 -2.45 1.08 0.00 -0.34 0.00 0.00 42.92 41.20 1urm s ASP 77 CO -0.02 -1.16 1.88 0.00 0.68 0.00 0.00 175.17 176.56 1urm h ALA 78 N -0.52 1.00 -0.07 2.11 0.00 -1.90 -2.06 119.26 117.82 1urm h ALA 78 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1urm h ALA 78 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1urm h ALA 78 CO 0.60 0.05 0.03 0.74 0.00 0.00 0.00 179.25 180.67 1urm h PHE 79 N 0.00 0.11 0.16 0.00 0.04 -1.90 -0.60 116.94 114.75 1urm h PHE 79 Ca -0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1urm h PHE 79 Cb 0.66 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1urm h PHE 79 CO 0.00 0.23 -0.08 0.28 -0.60 0.00 0.00 178.31 178.14 1urm h VAL 80 N -0.04 0.88 -0.70 -0.55 2.07 -1.83 -1.99 116.25 114.09 1urm h VAL 80 Ca 0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1urm h VAL 80 Cb 0.16 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1urm h VAL 80 CO -0.00 0.03 0.32 0.71 0.02 0.00 0.00 177.57 178.65 1urm h THR 81 N -0.28 1.23 -0.39 2.57 1.35 -1.34 0.67 112.91 116.72 1urm h THR 81 Ca -0.02 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 1urm h THR 81 Cb 0.22 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1urm h THR 81 CO 0.04 0.27 0.12 1.23 -0.25 0.00 0.00 175.52 176.93 1urm h GLY 82 N 1.06 0.66 1.68 5.82 0.00 -0.98 0.08 103.07 111.38 1urm h GLY 82 Ca 0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1urm h GLY 82 CO -0.03 0.37 -0.43 0.83 0.00 0.00 0.00 176.54 177.28 1urm h GLU 83 N 0.49 0.35 -0.32 4.80 4.39 -1.01 -2.25 114.58 121.03 1urm h GLU 83 Ca 0.13 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1urm h GLU 83 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1urm h GLU 83 CO -0.00 0.73 0.14 2.35 -1.16 0.00 0.00 179.01 181.06 1urm h TRP 84 N 0.29 0.48 -0.90 4.33 7.01 -0.40 -1.48 115.95 125.29 1urm h TRP 84 Ca 0.02 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1urm h TRP 84 Cb 0.88 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.74 1urm h TRP 84 CO 0.02 0.44 0.57 0.78 -2.79 0.00 0.00 178.44 177.47 1urm h GLY 85 N 0.37 1.35 2.00 2.65 0.00 -0.81 -1.41 103.07 107.22 1urm h GLY 85 Ca 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1urm h GLY 85 CO -0.01 0.30 -0.33 3.21 0.00 0.00 0.00 176.54 179.71 1urm h ARG 86 N 1.05 0.00 0.00 4.80 3.08 -1.11 -1.09 114.38 121.10 1urm h ARG 86 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1urm h ARG 86 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1urm h ARG 86 CO -0.16 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1urm n ALA 87 N -2.45 1.71 -1.19 0.04 0.00 -0.55 -2.95 120.51 115.11 1urm n ALA 87 Ca -0.02 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1urm n ALA 87 Cb 0.38 -1.38 0.12 0.00 0.00 0.00 0.00 19.45 18.57 1urm n ALA 87 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1urm n HIS 88 N -2.17 0.00 -3.86 0.00 8.25 -0.49 -4.99 115.22 111.96 1urm n HIS 88 Ca 0.02 -0.85 -0.26 0.00 -0.26 0.00 0.00 57.72 56.37 1urm n HIS 88 Cb 0.24 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.23 1urm n HIS 88 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1urm n LYS 89 N -1.23 -4.75 0.18 -0.41 4.76 -0.82 -4.84 118.16 111.06 1urm n LYS 89 Ca 0.14 0.56 0.13 0.00 -2.87 0.00 0.00 58.31 56.26 1urm n LYS 89 Cb 0.65 -5.18 0.30 0.00 -1.84 0.00 0.00 35.03 28.96 1urm n LYS 89 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1urm h ALA 90 N 0.90 1.00 -2.17 7.82 0.00 -1.63 -3.45 119.26 121.73 1urm h ALA 90 Ca -0.60 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1urm h ALA 90 Cb 1.37 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.20 1urm h ALA 90 CO 0.63 0.00 0.90 -1.91 0.00 0.00 0.00 179.25 178.87 1urm n GLU 91 N -2.79 2.14 -0.96 0.00 2.13 -1.26 -0.23 120.64 119.67 1urm n GLU 91 Ca 0.04 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1urm n GLU 91 Cb 0.47 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1urm n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1urm n GLY 92 N 3.75 0.97 1.06 8.31 0.00 -1.26 -4.78 105.19 113.25 1urm n GLY 92 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1urm n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1urm n LYS 93 N -2.01 0.00 -3.85 1.61 4.76 0.68 -5.04 118.16 114.31 1urm n LYS 93 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1urm n LYS 93 Cb 0.00 -0.48 -0.16 0.00 -1.84 0.00 0.00 35.03 32.55 1urm n LYS 93 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1urm s VAL 94 N -2.00 0.11 0.07 -0.18 1.01 0.11 -4.52 120.40 115.00 1urm s VAL 94 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1urm s VAL 94 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1urm s VAL 94 CO 0.00 0.15 1.02 -0.13 0.00 0.00 0.00 175.10 176.14 1urm s ARG 95 N 1.27 4.60 -0.27 2.72 1.81 0.71 -4.51 118.95 125.28 1urm s ARG 95 Ca -0.06 1.51 -0.11 0.00 -1.72 0.00 0.00 55.73 55.35 1urm s ARG 95 Cb -0.13 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 30.93 1urm s ARG 95 CO -0.02 0.03 0.18 -0.51 -0.68 0.00 0.00 175.30 174.30 1urm s LEU 96 N 0.50 4.01 -0.07 2.53 2.01 -1.26 0.04 118.68 126.44 1urm s LEU 96 Ca 0.51 0.00 0.04 0.00 0.01 0.00 0.00 54.13 54.68 1urm s LEU 96 Cb -0.24 -2.11 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 1urm s LEU 96 CO 0.30 -0.03 -0.18 -0.76 1.01 0.00 0.00 176.35 176.68 1urm s LEU 97 N 1.65 2.47 -0.15 1.79 1.43 0.17 -4.24 118.68 121.81 1urm s LEU 97 Ca 0.07 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1urm s LEU 97 Cb -0.16 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1urm s LEU 97 CO 0.10 0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.93 1urm s ALA 98 N -0.22 3.14 -0.61 4.21 0.00 0.13 -1.54 121.76 126.88 1urm s ALA 98 Ca -0.00 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1urm s ALA 98 Cb -0.13 -1.64 0.21 0.00 0.00 0.00 0.00 23.12 21.56 1urm s ALA 98 CO 0.03 0.25 0.59 -3.47 0.00 0.00 0.00 175.76 173.16 1urm n ASP 99 N 3.38 2.61 0.19 0.00 2.03 0.08 -0.71 116.55 124.13 1urm n ASP 99 Ca -0.17 -3.16 0.07 0.00 0.52 0.00 0.00 54.79 52.04 1urm n ASP 99 Cb 0.52 -0.68 0.57 0.00 -0.72 0.00 0.00 41.12 40.81 1urm n ASP 99 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1urm h PRO 100 N 4.71 0.14 -0.34 -0.67 0.13 -1.74 -1.37 132.00 132.86 1urm h PRO 100 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1urm h PRO 100 Cb 0.75 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1urm h PRO 100 CO 0.70 0.11 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 1urm n THR 101 N -4.50 0.44 -1.95 1.56 -2.24 -1.26 -4.58 114.28 101.75 1urm n THR 101 Ca -0.01 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1urm n THR 101 Cb 0.10 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1urm n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1urm n GLY 102 N 1.36 0.37 0.29 3.38 0.00 -0.52 -4.91 105.19 105.16 1urm n GLY 102 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1urm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1urm h ALA 103 N 0.41 1.01 -0.12 4.61 0.00 -1.92 -0.43 119.26 122.82 1urm h ALA 103 Ca -0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1urm h ALA 103 Cb 1.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1urm h ALA 103 CO 0.38 0.20 0.01 0.35 0.00 0.00 0.00 179.25 180.19 1urm h PHE 104 N 0.87 0.22 -0.61 0.00 3.57 -1.91 -1.52 116.94 117.55 1urm h PHE 104 Ca 0.32 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1urm h PHE 104 Cb 0.11 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1urm h PHE 104 CO -0.05 0.43 0.29 0.78 -2.23 0.00 0.00 178.31 177.52 1urm h GLY 105 N -0.05 0.92 0.98 2.40 0.00 -1.85 -1.33 103.07 104.15 1urm h GLY 105 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1urm h GLY 105 CO 0.00 0.41 0.19 0.50 0.00 0.00 0.00 176.54 177.64 1urm h LYS 106 N 0.86 0.83 0.00 4.80 1.57 -0.94 0.12 116.57 123.80 1urm h LYS 106 Ca 0.21 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1urm h LYS 106 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1urm h LYS 106 CO -0.03 0.75 -0.40 1.49 -0.57 0.00 0.00 179.45 180.70 1urm h GLU 107 N 0.75 0.00 -0.05 3.15 4.57 -0.59 -3.25 114.58 119.16 1urm h GLU 107 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1urm h GLU 107 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1urm h GLU 107 CO -0.01 0.40 0.00 0.25 -1.18 0.00 0.00 179.01 178.47 1urm n THR 108 N -3.97 0.13 -3.76 0.32 -2.24 -0.56 -4.67 114.28 99.53 1urm n THR 108 Ca -0.02 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.93 1urm n THR 108 Cb 0.44 1.11 0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1urm n THR 108 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1urm n ASP 109 N 0.53 -5.30 -0.82 3.42 2.03 0.26 -1.51 116.55 115.15 1urm n ASP 109 Ca 0.06 -0.67 0.07 0.00 0.52 0.00 0.00 54.79 54.77 1urm n ASP 109 Cb 0.27 -4.41 0.21 0.00 -0.72 0.00 0.00 41.12 36.46 1urm n ASP 109 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1urm n LEU 110 N -4.80 3.38 -4.82 -2.67 4.77 -0.36 -4.88 117.00 107.62 1urm n LEU 110 Ca 0.01 -2.29 -0.33 0.00 -0.03 0.00 0.00 56.01 53.36 1urm n LEU 110 Cb 0.55 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1urm n LEU 110 CO 0.70 0.74 0.62 -0.76 -1.33 0.00 0.00 177.39 177.37 1urm s LEU 111 N -1.52 4.00 1.11 2.23 1.43 -1.23 -0.55 118.68 124.15 1urm s LEU 111 Ca 0.32 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 1urm s LEU 111 Cb 0.20 -4.42 0.26 0.00 0.03 0.00 0.00 46.19 42.25 1urm s LEU 111 CO 0.16 -0.31 1.05 -0.76 0.23 0.00 0.00 176.35 176.72 1urm s LEU 112 N -3.02 1.03 0.00 1.79 1.43 0.10 -4.66 118.68 115.35 1urm s LEU 112 Ca 0.60 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1urm s LEU 112 Cb -0.10 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1urm s LEU 112 CO 0.15 -3.86 0.00 -0.90 0.23 0.00 0.00 176.35 171.97 1urm n ASP 113 N -4.67 0.00 -0.60 2.29 5.68 -1.26 -4.71 116.55 113.28 1urm n ASP 113 Ca 0.03 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.45 1urm n ASP 113 Cb 0.56 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.94 1urm n ASP 113 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1urm n ASP 114 N 0.00 1.84 0.23 -1.12 8.00 -1.26 -4.40 116.55 119.85 1urm n ASP 114 Ca 0.00 -1.66 0.09 0.00 0.71 0.00 0.00 54.79 53.93 1urm n ASP 114 Cb 0.00 -0.05 0.56 0.00 -0.02 0.00 0.00 41.12 41.60 1urm n ASP 114 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1urm h SER 115 N 2.69 0.00 -0.32 -2.24 0.02 -1.97 -2.47 113.55 109.26 1urm h SER 115 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1urm h SER 115 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1urm h SER 115 CO 0.00 0.22 0.00 0.18 -1.14 0.00 0.00 176.83 176.09 1urm n LEU 116 N -3.76 2.84 0.12 5.07 4.77 -1.26 -4.50 117.00 120.27 1urm n LEU 116 Ca -0.02 -1.95 0.07 0.00 -0.03 0.00 0.00 56.01 54.09 1urm n LEU 116 Cb 0.32 -0.21 0.55 0.00 -2.33 0.00 0.00 43.42 41.75 1urm n LEU 116 CO 0.34 0.71 1.12 0.58 -1.33 0.00 0.00 177.39 178.80 1urm h VAL 117 N 1.96 1.02 0.00 4.08 2.07 -1.60 -1.18 116.25 122.59 1urm h VAL 117 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1urm h VAL 117 Cb 0.71 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1urm h VAL 117 CO 0.00 0.04 -0.17 0.77 0.02 0.00 0.00 177.57 178.24 1urm h SER 118 N 0.25 0.00 0.11 0.57 4.64 -1.79 0.53 113.55 117.86 1urm h SER 118 Ca 0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.06 1urm h SER 118 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1urm h SER 118 CO -0.02 0.17 -2.23 2.30 -0.87 0.00 0.00 176.83 176.18 1urm n ILE 119 N -3.48 1.45 -0.03 0.95 -5.35 -0.69 -4.60 119.36 107.61 1urm n ILE 119 Ca -0.01 -0.83 0.03 0.00 -0.27 0.00 0.00 62.75 61.66 1urm n ILE 119 Cb 0.33 -0.64 -0.14 0.00 -1.74 0.00 0.00 39.64 37.45 1urm n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1urm n PHE 120 N -2.84 0.20 0.00 4.28 3.72 -0.53 -4.98 117.46 117.30 1urm n PHE 120 Ca -0.30 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1urm n PHE 120 Cb 1.13 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1urm n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1urm n GLY 121 N 1.44 0.92 3.86 1.37 0.00 0.18 -4.96 105.19 107.99 1urm n GLY 121 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1urm n GLY 121 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1urm n ASN 122 N 0.00 -1.85 -4.56 1.61 0.23 -1.24 -4.97 115.26 104.47 1urm n ASN 122 Ca 0.00 -2.04 -0.42 0.00 -0.53 0.00 0.00 54.58 51.59 1urm n ASN 122 Cb 0.00 3.02 -0.06 0.00 -2.08 0.00 0.00 39.78 40.66 1urm n ASN 122 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1urm s ARG 123 N -2.06 3.62 0.64 -3.83 0.52 -1.26 -4.18 118.95 112.41 1urm s ARG 123 Ca 0.22 0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.44 1urm s ARG 123 Cb -0.03 -3.84 0.05 0.00 0.52 0.00 0.00 34.95 31.65 1urm s ARG 123 CO 0.07 -0.83 0.92 1.03 0.02 0.00 0.00 175.30 176.50 1urm s ARG 124 N 2.87 2.35 0.42 3.54 1.81 -1.26 -4.81 118.95 123.86 1urm s ARG 124 Ca 0.26 -0.46 -0.25 0.00 -1.72 0.00 0.00 55.73 53.56 1urm s ARG 124 Cb -0.14 -2.30 -0.08 0.00 -0.45 0.00 0.00 34.95 31.98 1urm s ARG 124 CO 0.17 -1.02 1.20 -0.51 -0.68 0.00 0.00 175.30 174.46 1urm s LEU 125 N -5.05 4.15 0.54 2.53 1.43 -1.26 0.01 118.68 121.03 1urm s LEU 125 Ca 0.59 2.42 -0.22 0.00 -1.03 0.00 0.00 54.13 55.89 1urm s LEU 125 Cb -0.11 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1urm s LEU 125 CO 0.42 -0.79 1.32 -0.54 0.23 0.00 0.00 176.35 176.99 1urm s LYS 126 N -2.38 3.22 0.07 1.70 1.02 0.28 -3.22 119.74 120.43 1urm s LYS 126 Ca 0.59 2.15 -0.31 0.00 0.02 0.00 0.00 55.97 58.42 1urm s LYS 126 Cb -0.32 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.66 1urm s LYS 126 CO 0.40 -1.10 1.26 0.50 -0.92 0.00 0.00 175.35 175.49 1urm s ARG 127 N -2.90 4.39 0.18 1.68 3.52 0.60 -4.48 118.95 121.95 1urm s ARG 127 Ca 0.71 1.87 -0.14 0.00 -0.13 0.00 0.00 55.73 58.03 1urm s ARG 127 Cb -0.38 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1urm s ARG 127 CO 0.45 -0.32 0.43 -0.59 -0.81 0.00 0.00 175.30 174.46 1urm s PHE 128 N 1.13 0.07 0.03 5.12 -0.12 -0.97 -1.22 117.98 122.02 1urm s PHE 128 Ca 0.61 -0.42 -0.02 0.00 -0.05 0.00 0.00 56.93 57.05 1urm s PHE 128 Cb -0.32 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1urm s PHE 128 CO 0.29 -0.83 0.00 -1.54 -0.05 0.00 0.00 175.22 173.09 1urm s SER 129 N -2.90 0.29 -0.04 1.98 1.04 0.99 -0.71 113.70 114.34 1urm s SER 129 Ca 0.12 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 1urm s SER 129 Cb 0.01 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1urm s SER 129 CO -0.02 -0.43 0.24 0.00 0.98 0.00 0.00 173.24 174.01 1urm s MET 130 N -2.38 0.48 -0.16 4.02 0.23 0.12 -0.03 119.30 121.57 1urm s MET 130 Ca -0.07 -0.05 -0.14 0.00 -1.03 0.00 0.00 55.69 54.39 1urm s MET 130 Cb -0.03 0.21 -0.05 0.00 -1.53 0.00 0.00 34.83 33.44 1urm s MET 130 CO -0.04 -0.11 0.31 0.08 -2.03 0.00 0.00 175.02 173.23 1urm s VAL 131 N -0.81 5.30 -0.13 5.16 1.01 -0.23 -1.16 120.40 129.53 1urm s VAL 131 Ca -0.09 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1urm s VAL 131 Cb -0.05 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1urm s VAL 131 CO 0.02 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 1urm s VAL 132 N 0.52 1.89 -0.22 2.92 1.01 0.28 0.14 120.40 126.94 1urm s VAL 132 Ca 0.17 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1urm s VAL 132 Cb -0.13 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1urm s VAL 132 CO 0.04 0.52 -0.13 -1.58 0.00 0.00 0.00 175.10 173.94 1urm s GLN 133 N 0.92 2.41 -1.43 2.72 0.74 0.11 0.10 119.66 125.24 1urm s GLN 133 Ca -0.06 -1.08 -0.03 0.00 0.05 0.00 0.00 55.36 54.25 1urm s GLN 133 Cb -0.15 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1urm s GLN 133 CO -0.03 -0.43 0.30 -3.47 -0.55 0.00 0.00 175.29 171.11 1urm n ASP 134 N 4.55 -0.33 0.00 6.67 2.03 0.14 -0.95 116.55 128.65 1urm n ASP 134 Ca -0.16 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1urm n ASP 134 Cb 0.45 -2.48 0.00 0.00 -0.72 0.00 0.00 41.12 38.37 1urm n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1urm n GLY 135 N -2.19 1.17 3.52 0.27 0.00 -0.95 -4.73 105.19 102.29 1urm n GLY 135 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1urm n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1urm s ILE 136 N -3.48 3.76 -0.13 -0.61 -1.09 -0.13 -0.30 121.20 119.22 1urm s ILE 136 Ca 0.00 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 1urm s ILE 136 Cb 0.00 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1urm s ILE 136 CO 0.00 0.54 1.49 -0.69 -1.23 0.00 0.00 174.94 175.05 1urm s VAL 137 N -0.11 3.88 -0.02 2.92 1.01 0.60 0.09 120.40 128.76 1urm s VAL 137 Ca 0.02 1.05 0.16 0.00 0.00 0.00 0.00 61.98 63.20 1urm s VAL 137 Cb -0.13 -3.72 -0.25 0.00 0.00 0.00 0.00 36.38 32.27 1urm s VAL 137 CO 0.03 -0.15 0.35 0.29 0.00 0.00 0.00 175.10 175.62 1urm n LYS 138 N 7.05 0.50 -3.65 2.72 4.76 0.12 0.47 118.16 130.13 1urm n LYS 138 Ca 0.16 -0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.31 1urm n LYS 138 Cb 0.44 -1.38 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 1urm n LYS 138 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1urm s ALA 139 N -3.12 -1.41 -0.08 7.82 0.00 -1.17 -4.88 121.76 118.92 1urm s ALA 139 Ca -0.06 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 1urm s ALA 139 Cb 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1urm s ALA 139 CO 0.67 -0.30 0.17 -1.17 0.00 0.00 0.00 175.76 175.13 1urm s LEU 140 N -0.42 0.10 -0.19 0.00 2.96 -1.26 -1.07 118.68 118.79 1urm s LEU 140 Ca -0.06 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1urm s LEU 140 Cb -0.03 0.33 0.03 0.00 0.50 0.00 0.00 46.19 47.02 1urm s LEU 140 CO 0.04 -0.22 -0.16 0.20 -1.32 0.00 0.00 176.35 174.89 1urm s ASN 141 N 2.03 3.29 -0.13 3.68 -0.87 0.95 -4.98 114.94 118.90 1urm s ASN 141 Ca -0.00 -0.77 0.02 0.00 -1.57 0.00 0.00 52.86 50.54 1urm s ASN 141 Cb -0.12 -1.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.73 1urm s ASN 141 CO -0.06 -0.06 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.52 1urm s VAL 142 N 1.32 2.32 0.16 1.60 1.01 -1.26 -0.01 120.40 125.55 1urm s VAL 142 Ca 0.02 -0.90 -0.34 0.00 0.00 0.00 0.00 61.98 60.76 1urm s VAL 142 Cb -0.15 -1.94 -0.14 0.00 0.00 0.00 0.00 36.38 34.16 1urm s VAL 142 CO -0.11 0.54 1.60 -0.62 0.00 0.00 0.00 175.10 176.52 1urm n GLU 143 N 3.90 2.24 -0.10 2.72 -0.58 -0.35 -4.83 120.64 123.63 1urm n GLU 143 Ca -0.19 0.81 0.11 0.00 -0.42 0.00 0.00 57.16 57.46 1urm n GLU 143 Cb 0.52 -2.59 0.47 0.00 -0.57 0.00 0.00 31.44 29.27 1urm n GLU 143 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1urm h PRO 144 N 6.12 0.47 -0.70 3.49 0.11 -1.95 -0.21 132.00 139.33 1urm h PRO 144 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1urm h PRO 144 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1urm h PRO 144 CO 0.90 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 1urm n ASP 145 N -4.48 4.12 0.00 -2.05 5.75 -1.26 -4.97 116.55 113.66 1urm n ASP 145 Ca 0.10 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1urm n ASP 145 Cb 0.34 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1urm n ASP 145 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1urm n GLY 146 N 1.47 2.39 0.00 6.12 0.00 -0.09 -4.59 105.19 110.49 1urm n GLY 146 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1urm n GLY 146 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1urm n THR 147 N -1.81 0.00 -0.89 2.61 -2.24 -1.26 -0.29 114.28 110.40 1urm n THR 147 Ca 0.00 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1urm n THR 147 Cb 0.00 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.41 1urm n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1urm n GLY 148 N 0.24 -1.93 2.48 3.38 0.00 -1.26 -4.93 105.19 103.18 1urm n GLY 148 Ca 0.00 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1urm n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urm n LEU 149 N 0.00 1.08 0.00 0.99 4.77 -1.26 -4.91 117.00 117.67 1urm n LEU 149 Ca 0.04 -4.79 0.00 0.00 -0.03 0.00 0.00 56.01 51.23 1urm n LEU 149 Cb 0.14 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1urm n LEU 149 CO 0.10 1.90 0.00 0.35 -1.33 0.00 0.00 177.39 178.41 1urm n THR 150 N 2.07 0.00 0.32 -5.08 -2.24 -1.26 -4.94 114.28 103.15 1urm n THR 150 Ca 0.26 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 1urm n THR 150 Cb 0.45 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.27 1urm n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1urm n SER 152 N -2.44 1.40 -4.88 0.00 3.41 -1.26 -4.65 113.62 105.21 1urm n SER 152 Ca 0.01 -1.29 -0.30 0.00 -0.26 0.00 0.00 58.87 57.03 1urm n SER 152 Cb 0.19 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1urm n SER 152 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1urm s LEU 153 N -2.21 3.35 0.19 1.04 1.43 -0.91 -4.42 118.68 117.16 1urm s LEU 153 Ca 0.32 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1urm s LEU 153 Cb 0.20 -4.34 0.22 0.00 0.03 0.00 0.00 46.19 42.30 1urm s LEU 153 CO 0.41 -0.78 1.72 0.00 0.23 0.00 0.00 176.35 177.94 1urm h ALA 154 N -0.09 0.64 -0.89 4.21 0.00 -1.86 -1.76 119.26 119.51 1urm h ALA 154 Ca -0.45 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.66 1urm h ALA 154 Cb 1.19 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1urm h ALA 154 CO 0.62 -0.27 0.58 -1.35 0.00 0.00 0.00 179.25 178.82 1urm h PRO 155 N 0.29 0.85 -0.07 0.00 0.11 -1.93 -1.39 132.00 129.87 1urm h PRO 155 Ca 0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1urm h PRO 155 Cb 0.35 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1urm h PRO 155 CO -0.32 0.57 -0.29 -0.97 -0.21 0.00 0.00 178.00 176.78 1urm h ASN 156 N 0.88 0.12 1.24 -2.05 -1.24 -1.61 -2.97 115.58 109.95 1urm h ASN 156 Ca 0.41 -0.03 -0.16 0.00 0.71 0.00 0.00 56.30 57.23 1urm h ASN 156 Cb 0.42 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 1urm h ASN 156 CO -0.18 0.41 -0.76 -0.29 -1.29 0.00 0.00 177.43 175.32 1urm h ILE 157 N 0.11 1.28 -0.49 2.57 2.10 -1.20 -3.14 117.51 118.73 1urm h ILE 157 Ca 0.02 -2.81 0.02 0.00 1.08 0.00 0.00 64.86 63.17 1urm h ILE 157 Cb 0.57 2.63 -0.03 0.00 -1.09 0.00 0.00 36.82 38.90 1urm h ILE 157 CO 0.04 0.73 0.29 0.40 -1.08 0.00 0.00 178.15 178.53 1urm h ILE 158 N 0.00 1.04 -1.04 2.19 2.04 -1.32 0.19 117.51 120.61 1urm h ILE 158 Ca -0.01 -0.20 0.30 0.00 1.00 0.00 0.00 64.86 65.95 1urm h ILE 158 Cb 1.58 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1urm h ILE 158 CO 0.10 0.10 0.74 -1.28 0.00 0.00 0.00 178.15 177.81 1urm h SER 159 N 0.57 0.07 -0.01 1.72 0.87 -1.57 -2.32 113.55 112.87 1urm h SER 159 Ca 0.20 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1urm h SER 159 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1urm h SER 159 CO -0.10 0.02 -0.39 0.00 -0.53 0.00 0.00 176.83 175.83 1urm n GLN 160 N -4.28 1.41 0.00 2.24 6.02 0.61 -5.15 117.38 118.22 1urm n GLN 160 Ca 0.22 -1.16 0.15 0.00 -0.01 0.00 0.00 57.00 56.20 1urm n GLN 160 Cb 1.07 -1.48 0.73 0.00 1.02 0.00 0.00 30.24 31.58 1urm n GLN 160 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33