#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b42 n ASP 2 N 0.00 5.50 -4.85 6.12 2.03 -1.26 -5.04 116.55 119.05 1b42 n ASP 2 Ca 0.00 -3.10 -0.34 0.00 0.52 0.00 0.00 54.79 51.87 1b42 n ASP 2 Cb 0.00 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 38.90 1b42 n ASP 2 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1b42 s VAL 3 N -0.27 4.86 0.19 5.18 -7.23 -1.26 -1.06 120.40 120.82 1b42 s VAL 3 Ca 0.37 0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 61.08 1b42 s VAL 3 Cb -0.01 -3.70 0.04 0.00 0.56 0.00 0.00 36.38 33.27 1b42 s VAL 3 CO -0.00 0.15 0.58 0.54 -0.31 0.00 0.00 175.10 176.06 1b42 s VAL 4 N -1.57 0.01 -0.13 1.32 0.11 0.10 -4.88 120.40 115.36 1b42 s VAL 4 Ca 0.41 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1b42 s VAL 4 Cb -0.14 -1.38 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 1b42 s VAL 4 CO 0.20 -0.06 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.28 1b42 s SER 5 N -2.82 2.82 0.13 3.54 0.01 -1.26 -0.89 113.70 115.22 1b42 s SER 5 Ca 0.06 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 56.86 1b42 s SER 5 Cb -0.02 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 1b42 s SER 5 CO -0.06 0.03 -0.18 -0.76 0.41 0.00 0.00 173.24 172.68 1b42 s LEU 6 N 1.02 2.37 -0.13 2.44 1.02 -1.26 -5.04 118.68 119.10 1b42 s LEU 6 Ca -0.04 -0.77 -0.14 0.00 0.02 0.00 0.00 54.13 53.20 1b42 s LEU 6 Cb -0.15 -0.76 -0.12 0.00 0.02 0.00 0.00 46.19 45.18 1b42 s LEU 6 CO -0.04 -0.03 0.32 0.44 0.02 0.00 0.00 176.35 177.05 1b42 h ASP 7 N 3.68 0.00 -5.26 2.29 5.19 -2.00 -3.48 116.42 116.85 1b42 h ASP 7 Ca -0.43 -0.44 -0.12 0.00 -0.62 0.00 0.00 57.03 55.41 1b42 h ASP 7 Cb 1.19 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.56 1b42 h ASP 7 CO 0.46 0.79 -0.57 -1.59 -3.12 0.00 0.00 179.24 175.21 1b42 s LYS 8 N -1.93 0.78 0.64 3.56 0.00 -1.26 -5.16 119.74 116.36 1b42 s LYS 8 Ca -0.11 -1.20 -0.03 0.00 0.00 0.00 0.00 55.97 54.64 1b42 s LYS 8 Cb -0.01 0.26 0.06 0.00 0.00 0.00 0.00 37.83 38.14 1b42 s LYS 8 CO 0.34 -0.20 0.91 -1.25 0.00 0.00 0.00 175.35 175.14 1b42 s PRO 9 N -3.94 2.28 -0.23 1.78 0.04 -1.26 -5.01 135.00 128.66 1b42 s PRO 9 Ca 0.11 -0.57 -0.29 0.00 0.04 0.00 0.00 61.00 60.29 1b42 s PRO 9 Cb 0.07 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1b42 s PRO 9 CO -0.07 -1.04 1.33 -0.06 0.04 0.00 0.00 177.00 177.19 1b42 s PHE 10 N -3.03 2.68 -0.12 0.56 0.08 -1.26 -4.88 117.98 112.00 1b42 s PHE 10 Ca 0.60 0.88 -0.02 0.00 0.12 0.00 0.00 56.93 58.51 1b42 s PHE 10 Cb -0.10 -3.74 -0.25 0.00 -0.57 0.00 0.00 43.02 38.36 1b42 s PHE 10 CO 0.42 -1.89 0.37 -1.33 -0.10 0.00 0.00 175.22 172.69 1b42 n MET 11 N 7.04 0.73 -4.32 0.44 2.81 -1.26 -4.83 117.12 117.73 1b42 n MET 11 Ca 0.15 0.25 -0.20 0.00 -1.81 0.00 0.00 57.70 56.10 1b42 n MET 11 Cb 0.46 -1.71 -0.11 0.00 -0.71 0.00 0.00 33.22 31.15 1b42 n MET 11 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1b42 s TYR 12 N -2.56 1.69 0.23 2.03 2.02 -1.26 -1.09 117.35 118.40 1b42 s TYR 12 Ca -0.20 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 55.87 1b42 s TYR 12 Cb 0.07 -0.82 0.35 0.00 -0.40 0.00 0.00 41.96 41.16 1b42 s TYR 12 CO 0.77 0.30 1.63 0.35 -1.57 0.00 0.00 175.55 177.04 1b42 h PHE 13 N 3.00 -0.15 0.00 2.71 3.57 -1.62 -0.91 116.94 123.54 1b42 h PHE 13 Ca -0.40 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1b42 h PHE 13 Cb 1.21 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1b42 h PHE 13 CO 0.69 -0.24 0.00 0.93 -2.23 0.00 0.00 178.31 177.46 1b42 h GLU 14 N 0.07 0.00 0.00 1.11 3.07 -1.97 -1.12 114.58 115.74 1b42 h GLU 14 Ca 0.37 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1b42 h GLU 14 Cb 0.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1b42 h GLU 14 CO -0.65 0.00 -0.16 0.93 -1.40 0.00 0.00 179.01 177.73 1b42 h GLU 15 N 0.00 0.00 -6.05 2.33 5.08 -1.58 -3.44 114.58 110.92 1b42 h GLU 15 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1b42 h GLU 15 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1b42 h GLU 15 CO 0.00 0.16 1.43 -0.89 -1.00 0.00 0.00 179.01 178.71 1b42 n ILE 16 N -3.18 0.41 -0.22 3.13 5.41 -0.43 -4.86 119.36 119.62 1b42 n ILE 16 Ca 0.02 -0.38 -0.03 0.00 1.00 0.00 0.00 62.75 63.37 1b42 n ILE 16 Cb 0.53 -2.42 0.19 0.00 -0.71 0.00 0.00 39.64 37.24 1b42 n ILE 16 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1b42 n ASP 17 N 10.68 3.72 -3.67 4.38 5.68 -1.26 -4.95 116.55 131.13 1b42 n ASP 17 Ca 0.29 -2.72 -0.02 0.00 -0.50 0.00 0.00 54.79 51.84 1b42 n ASP 17 Cb 0.41 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1b42 n ASP 17 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1b42 s ASN 18 N -0.44 -0.12 0.13 -1.12 3.84 -1.26 -5.18 114.94 110.79 1b42 s ASN 18 Ca 0.34 -0.39 -0.13 0.00 0.21 0.00 0.00 52.86 52.89 1b42 s ASN 18 Cb 0.27 0.42 0.02 0.00 -0.55 0.00 0.00 41.25 41.40 1b42 s ASN 18 CO 0.08 -0.78 0.33 -1.83 -2.79 0.00 0.00 177.10 172.11 1b42 s GLU 19 N -2.93 1.05 -0.00 0.43 -1.05 -1.26 -4.42 118.70 110.51 1b42 s GLU 19 Ca 0.14 -0.88 -0.05 0.00 -0.15 0.00 0.00 54.97 54.03 1b42 s GLU 19 Cb -0.00 0.42 -0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1b42 s GLU 19 CO 0.01 -0.39 0.09 -0.51 0.95 0.00 0.00 175.26 175.42 1b42 s LEU 20 N -2.86 1.71 0.09 1.83 1.43 -0.29 -4.87 118.68 115.72 1b42 s LEU 20 Ca 0.07 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 1b42 s LEU 20 Cb 0.03 0.49 -0.07 0.00 0.03 0.00 0.00 46.19 46.66 1b42 s LEU 20 CO -0.09 -0.29 1.37 -1.81 0.23 0.00 0.00 176.35 175.76 1b42 s ASP 21 N -1.12 6.86 0.19 2.29 1.01 -1.26 -4.29 116.67 120.34 1b42 s ASP 21 Ca -0.12 2.25 -0.31 0.00 0.71 0.00 0.00 52.55 55.08 1b42 s ASP 21 Cb -0.07 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 1b42 s ASP 21 CO 0.01 -0.64 1.51 -0.47 0.21 0.00 0.00 175.17 175.79 1b42 s TYR 22 N 1.33 3.06 -0.42 4.23 5.04 -1.26 -4.99 117.35 124.34 1b42 s TYR 22 Ca 0.64 0.78 -0.12 0.00 -2.44 0.00 0.00 57.07 55.93 1b42 s TYR 22 Cb -0.35 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.15 1b42 s TYR 22 CO 0.29 -3.10 0.29 -1.21 -1.34 0.00 0.00 175.55 170.49 1b42 s GLU 23 N 0.68 2.78 0.14 4.97 2.02 -1.26 -4.95 118.70 123.08 1b42 s GLU 23 Ca 0.66 -1.32 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1b42 s GLU 23 Cb -0.43 -3.88 0.32 0.00 0.10 0.00 0.00 34.13 30.24 1b42 s GLU 23 CO 0.35 -0.91 1.03 -0.35 0.02 0.00 0.00 175.26 175.40 1b42 n PRO 24 N 5.03 0.04 0.14 0.39 -0.04 -1.26 -0.99 135.00 138.32 1b42 n PRO 24 Ca -0.11 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1b42 n PRO 24 Cb 0.44 -1.87 0.46 0.00 -0.04 0.00 0.00 33.50 32.49 1b42 n PRO 24 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1b42 h GLU 25 N 0.00 0.00 0.00 0.54 3.07 -2.03 -3.08 114.58 113.08 1b42 h GLU 25 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1b42 h GLU 25 Cb 0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1b42 h GLU 25 CO 0.00 0.00 -0.05 0.66 -1.40 0.00 0.00 179.01 178.22 1b42 h SER 26 N 0.00 0.00 0.71 1.42 4.64 -1.48 -2.73 113.55 116.11 1b42 h SER 26 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1b42 h SER 26 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1b42 h SER 26 CO 0.00 0.05 -0.07 0.00 -0.87 0.00 0.00 176.83 175.95 1b42 h ALA 27 N 1.95 1.06 -0.04 5.18 0.00 -1.76 -1.66 119.26 123.99 1b42 h ALA 27 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b42 h ALA 27 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1b42 h ALA 27 CO 0.01 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1b42 n ASN 28 N -3.26 1.40 -4.87 0.00 4.13 -1.03 -4.90 115.26 106.73 1b42 n ASN 28 Ca -0.01 -1.49 -0.36 0.00 1.68 0.00 0.00 54.58 54.40 1b42 n ASN 28 Cb 0.28 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.45 1b42 n ASN 28 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1b42 s GLU 29 N -1.97 3.64 -0.43 3.52 2.02 -0.63 -5.00 118.70 119.86 1b42 s GLU 29 Ca 0.38 0.05 -0.39 0.00 0.02 0.00 0.00 54.97 55.03 1b42 s GLU 29 Cb 0.20 -3.14 -0.17 0.00 0.10 0.00 0.00 34.13 31.13 1b42 s GLU 29 CO 0.33 0.69 1.57 0.28 0.02 0.00 0.00 175.26 178.14 1b42 n VAL 30 N 1.51 0.00 0.10 2.63 0.31 -1.26 -4.88 118.33 116.75 1b42 n VAL 30 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1b42 n VAL 30 Cb 0.53 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 33.01 1b42 n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b42 h ALA 31 N 5.78 0.62 -2.83 3.52 0.00 -1.94 -3.42 119.26 121.00 1b42 h ALA 31 Ca -0.25 -0.62 -0.15 0.00 0.00 0.00 0.00 54.91 53.89 1b42 h ALA 31 Cb 1.19 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 1b42 h ALA 31 CO 0.88 0.80 -0.59 -1.59 0.00 0.00 0.00 179.25 178.75 1b42 s LYS 32 N -2.90 0.42 0.00 0.00 -2.85 -1.26 -1.03 119.74 112.12 1b42 s LYS 32 Ca 0.02 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 1b42 s LYS 32 Cb 0.08 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1b42 s LYS 32 CO 0.77 -0.09 0.00 0.36 0.10 0.00 0.00 175.35 176.49 1b42 n LYS 33 N 1.42 3.32 -5.16 1.78 -0.00 -1.26 -5.05 118.16 113.21 1b42 n LYS 33 Ca -0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.77 1b42 n LYS 33 Cb 0.56 -0.71 -0.15 0.00 -0.00 0.00 0.00 35.03 34.73 1b42 n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1b42 s LEU 34 N -2.24 2.23 0.46 -5.58 1.43 -1.26 -5.10 118.68 108.62 1b42 s LEU 34 Ca 0.00 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 1b42 s LEU 34 Cb 0.00 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.76 1b42 s LEU 34 CO 0.00 0.32 1.12 -2.16 0.23 0.00 0.00 176.35 175.86 1b42 s PRO 35 N -0.73 3.78 -1.45 1.29 0.04 -1.26 -2.41 135.00 134.26 1b42 s PRO 35 Ca 0.11 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1b42 s PRO 35 Cb -0.10 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1b42 s PRO 35 CO -0.00 -0.50 0.00 0.66 0.04 0.00 0.00 177.00 177.20 1b42 n TYR 36 N -0.59 -1.17 0.22 0.56 4.01 -1.26 -4.80 117.16 114.13 1b42 n TYR 36 Ca 0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.88 1b42 n TYR 36 Cb 0.49 -3.38 0.57 0.00 -0.31 0.00 0.00 39.34 36.72 1b42 n TYR 36 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1b42 h GLN 37 N 0.00 0.06 -0.49 -0.72 4.15 -1.86 -1.65 115.11 114.60 1b42 h GLN 37 Ca -0.40 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 58.94 1b42 h GLN 37 Cb 1.29 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 1b42 h GLN 37 CO 0.47 0.10 -0.02 0.78 -1.93 0.00 0.00 178.83 178.23 1b42 h GLY 38 N 0.23 0.89 1.24 2.39 0.00 -1.86 0.06 103.07 106.01 1b42 h GLY 38 Ca 0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.54 1b42 h GLY 38 CO 0.00 0.57 -0.60 1.46 0.00 0.00 0.00 176.54 177.97 1b42 h GLN 39 N 0.76 0.79 0.06 4.80 1.08 -1.71 -2.11 115.11 118.78 1b42 h GLN 39 Ca 0.14 -0.53 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1b42 h GLN 39 Cb 0.49 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1b42 h GLN 39 CO 0.02 1.16 -0.03 1.25 -0.95 0.00 0.00 178.83 180.28 1b42 h LEU 40 N 0.59 -0.07 -0.25 1.46 5.85 -1.11 0.30 115.31 122.08 1b42 h LEU 40 Ca -0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1b42 h LEU 40 Cb 1.20 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 1b42 h LEU 40 CO 0.13 -0.03 -0.24 0.50 -0.34 0.00 0.00 178.44 178.46 1b42 h LYS 41 N -0.10 -0.23 -0.47 1.25 3.64 -0.93 -1.29 116.57 118.45 1b42 h LYS 41 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1b42 h LYS 41 Cb 0.08 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1b42 h LYS 41 CO 0.01 -0.15 0.20 -0.07 -2.27 0.00 0.00 179.45 177.17 1b42 h LEU 42 N -0.24 0.63 -0.43 5.20 3.38 -1.10 -2.77 115.31 119.98 1b42 h LEU 42 Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1b42 h LEU 42 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1b42 h LEU 42 CO -0.39 0.61 0.26 0.25 0.09 0.00 0.00 178.44 179.26 1b42 h LEU 43 N 0.61 0.52 0.03 1.67 5.85 -0.07 -1.04 115.31 122.87 1b42 h LEU 43 Ca 0.16 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1b42 h LEU 43 Cb 0.16 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1b42 h LEU 43 CO -0.02 0.42 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.42 1b42 h LEU 44 N 0.57 -0.03 -0.89 2.25 3.38 -1.21 -0.20 115.31 119.19 1b42 h LEU 44 Ca 0.15 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1b42 h LEU 44 Cb -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1b42 h LEU 44 CO -0.03 0.23 0.56 1.23 0.09 0.00 0.00 178.44 180.52 1b42 h GLY 45 N -0.29 1.34 2.00 0.83 0.00 -1.46 -0.34 103.07 105.15 1b42 h GLY 45 Ca -0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1b42 h GLY 45 CO 0.01 0.30 -0.74 0.83 0.00 0.00 0.00 176.54 176.94 1b42 h GLU 46 N 1.03 0.00 -0.32 4.80 5.08 -1.10 -2.06 114.58 122.01 1b42 h GLU 46 Ca 0.38 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.60 1b42 h GLU 46 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1b42 h GLU 46 CO -0.16 0.74 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.16 1b42 h LEU 47 N 0.00 0.87 0.62 1.33 3.38 -0.49 -2.35 115.31 118.67 1b42 h LEU 47 Ca -0.01 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1b42 h LEU 47 Cb 1.43 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1b42 h LEU 47 CO 0.10 1.17 -0.30 0.15 0.09 0.00 0.00 178.44 179.65 1b42 h PHE 48 N 0.58 -0.77 -0.21 1.13 3.57 -1.09 -0.70 116.94 119.46 1b42 h PHE 48 Ca 0.05 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1b42 h PHE 48 Cb 0.94 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 1b42 h PHE 48 CO 0.07 -0.46 -0.18 0.35 -2.23 0.00 0.00 178.31 175.86 1b42 h PHE 49 N -0.86 -0.46 -0.44 0.41 3.57 -1.42 -2.77 116.94 114.97 1b42 h PHE 49 Ca -0.08 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1b42 h PHE 49 Cb 0.65 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1b42 h PHE 49 CO -0.03 -0.25 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.66 1b42 h LEU 50 N -0.19 0.74 -1.81 0.59 4.07 -1.40 -2.69 115.31 114.62 1b42 h LEU 50 Ca 0.12 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1b42 h LEU 50 Cb 0.37 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1b42 h LEU 50 CO -0.32 0.86 -0.15 0.28 -1.08 0.00 0.00 178.44 178.03 1b42 h SER 51 N 0.70 0.00 -0.14 -0.43 0.02 -0.92 -1.95 113.55 110.83 1b42 h SER 51 Ca 0.12 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1b42 h SER 51 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1b42 h SER 51 CO 0.03 0.15 -0.17 0.50 -1.14 0.00 0.00 176.83 176.20 1b42 h LYS 52 N 0.00 0.37 -0.27 3.45 3.64 -1.21 -1.51 116.57 121.05 1b42 h LYS 52 Ca -0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1b42 h LYS 52 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1b42 h LYS 52 CO 0.02 0.78 0.07 -0.07 -2.27 0.00 0.00 179.45 177.97 1b42 h LEU 53 N -0.01 0.34 0.02 5.20 3.38 -1.23 -0.87 115.31 122.14 1b42 h LEU 53 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1b42 h LEU 53 Cb 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1b42 h LEU 53 CO 0.04 0.35 -0.01 -0.61 0.09 0.00 0.00 178.44 178.30 1b42 h GLN 54 N 0.38 -0.03 -1.00 1.13 4.15 -1.21 0.11 115.11 118.64 1b42 h GLN 54 Ca 0.09 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.70 1b42 h GLN 54 Cb 0.14 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.74 1b42 h GLN 54 CO -0.00 0.24 0.61 -0.09 -1.93 0.00 0.00 178.83 177.66 1b42 h ARG 55 N -0.30 0.74 -0.17 1.69 2.43 -0.19 0.22 114.38 118.82 1b42 h ARG 55 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1b42 h ARG 55 Cb 0.28 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1b42 h ARG 55 CO 0.01 0.49 0.00 0.72 -1.51 0.00 0.00 179.97 179.67 1b42 n HIS 56 N -4.73 0.22 -1.37 2.20 8.25 -0.44 -4.93 115.22 114.42 1b42 n HIS 56 Ca 0.23 -0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.45 1b42 n HIS 56 Cb 0.56 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 1b42 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b42 n GLY 57 N 0.96 1.33 0.81 -1.41 0.00 0.78 -4.90 105.19 102.78 1b42 n GLY 57 Ca 0.12 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1b42 n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b42 n ILE 58 N -2.53 0.36 -0.07 -0.61 -5.35 0.33 -4.61 119.36 106.87 1b42 n ILE 58 Ca -0.13 -0.68 -0.12 0.00 -0.27 0.00 0.00 62.75 61.55 1b42 n ILE 58 Cb 0.47 1.05 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 1b42 n ILE 58 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1b42 h LEU 59 N 3.35 0.00 -9.36 7.28 5.85 -1.84 -3.44 115.31 117.15 1b42 h LEU 59 Ca 0.00 -0.57 -0.62 0.00 0.84 0.00 0.00 57.88 57.53 1b42 h LEU 59 Cb 0.78 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.85 1b42 h LEU 59 CO 0.00 0.97 0.89 -0.67 -0.34 0.00 0.00 178.44 179.29 1b42 n ASP 60 N -4.61 3.01 0.00 1.25 -0.08 -1.26 -1.62 116.55 113.25 1b42 n ASP 60 Ca -0.12 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1b42 n ASP 60 Cb 0.39 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.50 1b42 n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b42 n GLY 61 N 3.77 0.78 3.93 0.27 0.00 0.23 -4.95 105.19 109.23 1b42 n GLY 61 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1b42 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b42 s ALA 62 N -2.93 3.55 -0.19 4.61 0.00 -0.64 -4.62 121.76 121.53 1b42 s ALA 62 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1b42 s ALA 62 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1b42 s ALA 62 CO 0.00 -0.43 -0.02 0.99 0.00 0.00 0.00 175.76 176.30 1b42 s THR 63 N -2.68 3.76 -0.42 0.00 2.01 -0.24 -1.88 115.64 116.19 1b42 s THR 63 Ca 0.48 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 1b42 s THR 63 Cb -0.10 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.74 1b42 s THR 63 CO 0.41 0.44 0.55 -0.69 -0.69 0.00 0.00 174.62 174.65 1b42 s VAL 64 N 0.98 4.94 -0.46 3.82 1.01 0.11 -1.51 120.40 129.29 1b42 s VAL 64 Ca 0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1b42 s VAL 64 Cb -0.14 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1b42 s VAL 64 CO 0.01 -0.48 0.69 -0.69 0.00 0.00 0.00 175.10 174.62 1b42 s VAL 65 N 2.52 4.77 -0.30 2.92 1.01 0.27 -0.58 120.40 131.02 1b42 s VAL 65 Ca 0.18 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1b42 s VAL 65 Cb -0.15 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1b42 s VAL 65 CO 0.16 -0.70 0.08 -0.47 0.00 0.00 0.00 175.10 174.17 1b42 s TYR 66 N 2.95 3.15 -0.17 5.22 6.14 -0.17 -1.22 117.35 133.25 1b42 s TYR 66 Ca 0.23 -1.04 -0.05 0.00 0.64 0.00 0.00 57.07 56.85 1b42 s TYR 66 Cb -0.15 -2.25 -0.03 0.00 0.42 0.00 0.00 41.96 39.96 1b42 s TYR 66 CO 0.18 -0.59 -0.01 0.42 0.64 0.00 0.00 175.55 176.19 1b42 s ILE 67 N 1.48 4.09 0.00 3.14 1.01 -0.26 -0.92 121.20 129.74 1b42 s ILE 67 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1b42 s ILE 67 Cb -0.17 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1b42 s ILE 67 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1b42 n GLY 68 N 3.75 0.97 0.08 6.18 0.00 -0.54 -0.73 105.19 114.90 1b42 n GLY 68 Ca -0.17 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1b42 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b42 h SER 69 N 0.00 0.00 -3.64 1.61 4.64 -1.75 -3.40 113.55 111.00 1b42 h SER 69 Ca 0.00 -0.15 -0.51 0.00 -0.47 0.00 0.00 61.79 60.66 1b42 h SER 69 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1b42 h SER 69 CO 0.00 0.08 0.21 0.00 -0.87 0.00 0.00 176.83 176.24 1b42 s ALA 70 N -3.17 3.37 0.32 5.18 0.00 -1.26 -0.52 121.76 125.68 1b42 s ALA 70 Ca 0.06 0.35 0.18 0.00 0.00 0.00 0.00 51.96 52.56 1b42 s ALA 70 Cb 0.13 -2.98 0.89 0.00 0.00 0.00 0.00 23.12 21.16 1b42 s ALA 70 CO 0.70 0.27 1.86 -1.00 0.00 0.00 0.00 175.76 177.59 1b42 h PRO 71 N 3.71 0.00 -1.13 0.00 0.13 -1.93 -3.49 132.00 129.28 1b42 h PRO 71 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1b42 h PRO 71 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1b42 h PRO 71 CO 0.66 0.31 -0.26 0.41 -0.23 0.00 0.00 178.00 178.89 1b42 n GLY 72 N -0.32 0.53 0.28 1.56 0.00 0.33 -0.49 105.19 107.08 1b42 n GLY 72 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1b42 n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b42 h THR 73 N 0.00 0.48 0.00 2.61 2.02 -1.93 0.59 112.91 116.68 1b42 h THR 73 Ca -0.26 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1b42 h THR 73 Cb 0.99 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1b42 h THR 73 CO 0.33 0.05 0.00 1.12 0.37 0.00 0.00 175.52 177.39 1b42 h HIS 74 N 0.27 0.00 0.00 3.16 2.07 -1.92 -2.84 115.15 115.89 1b42 h HIS 74 Ca 0.44 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.94 1b42 h HIS 74 Cb 0.77 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.75 1b42 h HIS 74 CO -0.26 0.00 -0.09 0.82 -3.07 0.00 0.00 177.93 175.33 1b42 h ILE 75 N 0.00 0.27 -0.31 6.12 2.04 -1.26 -2.38 117.51 121.99 1b42 h ILE 75 Ca 0.00 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 65.09 1b42 h ILE 75 Cb 0.39 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1b42 h ILE 75 CO 0.00 0.08 -0.41 -0.09 0.00 0.00 0.00 178.15 177.73 1b42 h ARG 76 N 0.00 0.76 -0.20 2.37 9.65 -1.59 -0.50 114.38 124.87 1b42 h ARG 76 Ca -0.00 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 58.43 1b42 h ARG 76 Cb 0.48 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1b42 h ARG 76 CO 0.01 1.03 -0.03 -0.92 2.80 0.00 0.00 179.97 182.86 1b42 h TYR 77 N 0.62 0.41 -0.19 2.20 5.03 -1.60 -1.75 116.97 121.69 1b42 h TYR 77 Ca 0.05 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1b42 h TYR 77 Cb 0.97 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.11 1b42 h TYR 77 CO 0.05 0.60 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.38 1b42 h LEU 78 N 0.10 -0.16 -0.61 2.82 3.38 -1.43 0.11 115.31 119.51 1b42 h LEU 78 Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1b42 h LEU 78 Cb 0.46 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1b42 h LEU 78 CO 0.02 -0.05 0.24 -0.09 0.09 0.00 0.00 178.44 178.64 1b42 h ARG 79 N 0.01 0.41 -0.37 1.13 1.12 -1.03 -2.52 114.38 113.13 1b42 h ARG 79 Ca 0.09 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.81 1b42 h ARG 79 Cb 0.14 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1b42 h ARG 79 CO -0.19 0.27 -0.25 -0.44 -3.11 0.00 0.00 179.97 176.25 1b42 h ASP 80 N 0.43 0.86 -0.23 -3.80 3.32 -0.64 -2.24 116.42 114.12 1b42 h ASP 80 Ca 0.31 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1b42 h ASP 80 Cb 0.37 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1b42 h ASP 80 CO -0.30 1.11 -0.09 -0.74 -1.72 0.00 0.00 179.24 177.50 1b42 h HIS 81 N 0.62 -0.21 0.00 4.55 -0.00 -0.40 -0.45 115.15 119.26 1b42 h HIS 81 Ca 0.07 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1b42 h HIS 81 Cb 0.82 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 1b42 h HIS 81 CO 0.06 -0.15 -0.39 0.74 -0.00 0.00 0.00 177.93 178.20 1b42 h PHE 82 N -0.05 0.00 -0.17 5.26 0.04 -1.48 -2.79 116.94 117.74 1b42 h PHE 82 Ca 0.12 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.74 1b42 h PHE 82 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1b42 h PHE 82 CO -0.27 0.39 -0.49 -0.92 -0.60 0.00 0.00 178.31 176.43 1b42 h TYR 83 N 0.00 0.82 0.00 -0.55 5.03 -1.21 -1.38 116.97 119.68 1b42 h TYR 83 Ca -0.00 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 60.98 1b42 h TYR 83 Cb 1.17 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1b42 h TYR 83 CO 0.00 1.10 0.00 0.09 -1.32 0.00 0.00 178.16 178.03 1b42 n ASN 84 N -4.19 0.00 0.02 -2.11 5.03 -0.19 -2.10 115.26 111.72 1b42 n ASN 84 Ca -0.07 0.33 0.12 0.00 0.87 0.00 0.00 54.58 55.83 1b42 n ASN 84 Cb 0.59 -0.44 0.12 0.00 -1.02 0.00 0.00 39.78 39.03 1b42 n ASN 84 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1b42 n LEU 85 N -1.44 0.62 0.00 3.41 4.77 -1.06 -4.95 117.00 118.36 1b42 n LEU 85 Ca 0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1b42 n LEU 85 Cb 0.25 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1b42 n LEU 85 CO 0.21 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1b42 n GLY 86 N 1.43 0.65 3.72 -0.72 0.00 -0.89 -5.05 105.19 104.33 1b42 n GLY 86 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1b42 n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b42 s VAL 87 N -2.39 4.27 -0.21 1.61 1.01 -0.54 -5.01 120.40 119.15 1b42 s VAL 87 Ca 0.00 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 1b42 s VAL 87 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1b42 s VAL 87 CO 0.00 0.23 0.55 -0.63 0.00 0.00 0.00 175.10 175.25 1b42 s ILE 88 N 0.34 5.08 -0.12 2.22 -1.09 -1.26 -4.37 121.20 121.99 1b42 s ILE 88 Ca 0.51 1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 59.80 1b42 s ILE 88 Cb -0.26 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1b42 s ILE 88 CO 0.31 0.14 0.36 -0.63 -1.23 0.00 0.00 174.94 173.89 1b42 s ILE 89 N 1.86 0.01 -0.02 2.92 1.01 -1.26 0.78 121.20 126.50 1b42 s ILE 89 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1b42 s ILE 89 Cb -0.16 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1b42 s ILE 89 CO 0.10 -0.03 -0.01 -0.54 0.00 0.00 0.00 174.94 174.46 1b42 s LYS 90 N 0.04 2.80 -0.09 2.79 1.02 -0.79 -4.91 119.74 120.60 1b42 s LYS 90 Ca -0.01 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1b42 s LYS 90 Cb -0.03 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1b42 s LYS 90 CO 0.01 0.64 -0.19 -1.58 -0.92 0.00 0.00 175.35 173.31 1b42 s TRP 91 N -1.04 2.65 -0.27 3.18 0.52 -0.06 0.08 118.94 124.00 1b42 s TRP 91 Ca 0.18 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.64 1b42 s TRP 91 Cb -0.11 -1.72 0.07 0.00 -1.15 0.00 0.00 33.47 30.56 1b42 s TRP 91 CO 0.09 -0.20 -0.02 1.41 0.02 0.00 0.00 176.95 178.25 1b42 s MET 92 N 0.05 1.59 -0.25 4.98 1.75 0.26 -0.53 119.30 127.15 1b42 s MET 92 Ca -0.08 -1.26 -0.09 0.00 -1.25 0.00 0.00 55.69 53.01 1b42 s MET 92 Cb -0.15 -2.71 -0.04 0.00 2.84 0.00 0.00 34.83 34.77 1b42 s MET 92 CO 0.05 -0.72 0.12 -0.51 -0.65 0.00 0.00 175.02 173.31 1b42 s LEU 93 N 1.26 3.71 -0.11 4.11 1.43 0.77 -1.00 118.68 128.85 1b42 s LEU 93 Ca -0.01 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1b42 s LEU 93 Cb -0.19 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1b42 s LEU 93 CO -0.09 -0.02 -0.17 -0.63 0.23 0.00 0.00 176.35 175.68 1b42 s ILE 94 N 1.53 1.61 0.01 -0.59 1.01 -0.10 0.32 121.20 124.99 1b42 s ILE 94 Ca 0.06 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 1b42 s ILE 94 Cb -0.15 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 40.96 1b42 s ILE 94 CO 0.06 0.46 0.80 -0.62 0.00 0.00 0.00 174.94 175.64 1b42 s ASP 95 N 0.89 -0.46 0.22 3.58 -1.08 -0.79 -1.47 116.67 117.56 1b42 s ASP 95 Ca -0.08 0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.34 1b42 s ASP 95 Cb -0.15 0.45 0.36 0.00 -1.46 0.00 0.00 42.92 42.11 1b42 s ASP 95 CO -0.00 -0.67 1.41 1.23 0.52 0.00 0.00 175.17 177.65 1b42 h GLY 96 N 2.21 0.00 -1.34 2.66 0.00 -1.80 -0.29 103.07 104.52 1b42 h GLY 96 Ca -0.25 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.62 1b42 h GLY 96 CO 0.34 0.00 0.15 0.50 0.00 0.00 0.00 176.54 177.53 1b42 s ARG 97 N -3.21 1.99 -0.02 4.80 0.52 -1.26 -4.74 118.95 117.02 1b42 s ARG 97 Ca 0.06 -0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 1b42 s ARG 97 Cb 0.11 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 1b42 s ARG 97 CO 0.70 -1.29 0.40 -1.01 0.02 0.00 0.00 175.30 174.12 1b42 s HIS 98 N -3.17 3.69 0.54 -0.53 3.76 -1.26 -4.86 115.29 113.46 1b42 s HIS 98 Ca 0.62 0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 56.35 1b42 s HIS 98 Cb -0.09 -2.30 -0.06 0.00 1.11 0.00 0.00 32.58 31.24 1b42 s HIS 98 CO 0.44 0.58 0.97 -1.01 -0.85 0.00 0.00 174.74 174.87 1b42 s HIS 99 N -0.84 3.53 0.06 1.40 3.76 -1.26 -4.29 115.29 117.65 1b42 s HIS 99 Ca 0.23 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 1b42 s HIS 99 Cb -0.16 -2.71 -0.09 0.00 1.11 0.00 0.00 32.58 30.73 1b42 s HIS 99 CO 0.12 -0.46 1.83 0.34 -0.85 0.00 0.00 174.74 175.72 1b42 s ASP 100 N -3.55 6.49 0.22 1.40 -1.08 0.36 -4.82 116.67 115.68 1b42 s ASP 100 Ca 0.56 2.62 0.08 0.00 -0.52 0.00 0.00 52.55 55.29 1b42 s ASP 100 Cb -0.10 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 1b42 s ASP 100 CO 0.40 -0.99 1.11 -2.65 0.52 0.00 0.00 175.17 173.57 1b42 n PRO 101 N 6.50 0.06 0.00 4.34 -0.02 -1.26 -0.92 135.00 143.69 1b42 n PRO 101 Ca 0.18 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 1b42 n PRO 101 Cb 0.40 -1.97 0.31 0.00 -0.02 0.00 0.00 33.50 32.22 1b42 n PRO 101 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1b42 n ILE 102 N -1.79 0.79 1.04 4.25 -5.35 -1.26 -2.00 119.36 115.03 1b42 n ILE 102 Ca -0.01 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.78 1b42 n ILE 102 Cb 0.30 -0.98 0.12 0.00 -1.74 0.00 0.00 39.64 37.33 1b42 n ILE 102 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1b42 n LEU 103 N -1.35 0.92 -4.87 7.28 4.77 -0.10 -4.94 117.00 118.71 1b42 n LEU 103 Ca 0.05 -0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.44 1b42 n LEU 103 Cb 0.12 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1b42 n LEU 103 CO 0.10 0.21 0.75 0.20 -1.33 0.00 0.00 177.39 177.32 1b42 s ASN 104 N -2.87 4.91 -1.09 -1.43 0.02 -0.85 -4.28 114.94 109.36 1b42 s ASN 104 Ca 0.13 1.05 0.00 0.00 -1.02 0.00 0.00 52.86 53.01 1b42 s ASN 104 Cb 0.17 -1.73 0.00 0.00 0.02 0.00 0.00 41.25 39.71 1b42 s ASN 104 CO 0.72 -1.67 0.00 0.61 0.02 0.00 0.00 177.10 176.77 1b42 n GLY 105 N -2.91 0.59 3.09 0.66 0.00 -1.26 -5.02 105.19 100.35 1b42 n GLY 105 Ca 0.07 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1b42 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b42 s LEU 106 N -2.90 1.99 0.56 0.99 1.43 -1.26 -5.00 118.68 114.49 1b42 s LEU 106 Ca 0.00 -0.60 0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1b42 s LEU 106 Cb 0.00 -1.38 1.65 0.00 0.03 0.00 0.00 46.19 46.48 1b42 s LEU 106 CO 0.00 -0.01 2.16 0.03 0.23 0.00 0.00 176.35 178.76 1b42 h ARG 107 N 7.92 0.00 -0.00 1.70 3.08 -1.95 -2.65 114.38 122.48 1b42 h ARG 107 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1b42 h ARG 107 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1b42 h ARG 107 CO 0.60 0.06 -0.21 -0.40 -1.07 0.00 0.00 179.97 178.95 1b42 n ASP 108 N -3.70 0.29 -4.05 7.04 5.75 -1.26 -4.77 116.55 115.85 1b42 n ASP 108 Ca -0.02 -0.01 -0.29 0.00 -0.01 0.00 0.00 54.79 54.46 1b42 n ASP 108 Cb 0.17 -0.13 -0.17 0.00 -1.03 0.00 0.00 41.12 39.96 1b42 n ASP 108 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b42 s VAL 109 N -2.89 1.50 -0.18 2.12 0.11 -1.00 -0.88 120.40 119.18 1b42 s VAL 109 Ca 0.16 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1b42 s VAL 109 Cb 0.19 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1b42 s VAL 109 CO 0.58 0.44 0.03 -0.89 -3.33 0.00 0.00 175.10 171.94 1b42 s THR 110 N 1.08 4.45 -0.18 5.04 2.01 0.31 -4.68 115.64 123.66 1b42 s THR 110 Ca -0.05 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1b42 s THR 110 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1b42 s THR 110 CO -0.03 0.45 0.03 -0.76 -0.69 0.00 0.00 174.62 173.62 1b42 s LEU 111 N 0.53 3.55 -0.11 4.42 1.43 -1.26 -0.16 118.68 127.08 1b42 s LEU 111 Ca 0.01 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1b42 s LEU 111 Cb -0.13 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1b42 s LEU 111 CO 0.02 0.14 -0.20 -0.69 0.23 0.00 0.00 176.35 175.84 1b42 s VAL 112 N 0.59 1.81 -0.90 -1.59 1.01 0.15 -4.96 120.40 116.52 1b42 s VAL 112 Ca 0.01 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1b42 s VAL 112 Cb -0.13 -1.61 0.22 0.00 0.00 0.00 0.00 36.38 34.86 1b42 s VAL 112 CO 0.02 0.50 0.88 -0.89 0.00 0.00 0.00 175.10 175.61 1b42 s THR 113 N 0.71 5.57 -0.22 3.92 2.01 -1.25 -1.89 115.64 124.48 1b42 s THR 113 Ca -0.11 -2.53 -0.23 0.00 0.31 0.00 0.00 61.69 59.13 1b42 s THR 113 Cb -0.16 -4.54 0.06 0.00 0.01 0.00 0.00 72.50 67.87 1b42 s THR 113 CO 0.02 -1.12 0.64 -0.13 -0.69 0.00 0.00 174.62 173.34 1b42 s ARG 114 N 0.25 0.77 -0.19 4.92 1.81 -0.12 -4.87 118.95 121.52 1b42 s ARG 114 Ca 0.22 0.83 -0.19 0.00 -1.72 0.00 0.00 55.73 54.88 1b42 s ARG 114 Cb -0.09 0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.75 1b42 s ARG 114 CO -0.09 -0.11 0.53 -0.06 -0.68 0.00 0.00 175.30 174.89 1b42 s PHE 115 N 0.20 3.39 0.48 -0.53 0.08 -1.26 -2.93 117.98 117.41 1b42 s PHE 115 Ca -0.01 0.80 -0.19 0.00 0.12 0.00 0.00 56.93 57.65 1b42 s PHE 115 Cb -0.04 -2.67 -0.09 0.00 -0.57 0.00 0.00 43.02 39.65 1b42 s PHE 115 CO 0.02 -0.08 0.99 0.14 -0.10 0.00 0.00 175.22 176.19 1b42 s VAL 116 N 1.54 4.20 0.19 -0.44 -7.23 -1.26 -5.00 120.40 112.40 1b42 s VAL 116 Ca 0.25 1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 61.68 1b42 s VAL 116 Cb -0.15 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1b42 s VAL 116 CO 0.10 -0.38 0.14 1.51 -0.31 0.00 0.00 175.10 176.16 1b42 s ASP 117 N -2.34 0.16 0.37 4.85 1.47 -1.26 -5.02 116.67 114.90 1b42 s ASP 117 Ca 0.63 -1.32 0.12 0.00 1.18 0.00 0.00 52.55 53.16 1b42 s ASP 117 Cb -0.12 0.38 0.91 0.00 -0.34 0.00 0.00 42.92 43.75 1b42 s ASP 117 CO 0.20 -0.84 1.83 -0.08 0.68 0.00 0.00 175.17 176.97 1b42 h GLU 118 N 2.64 0.58 -0.32 2.11 4.81 -1.97 -1.34 114.58 121.08 1b42 h GLU 118 Ca -0.35 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1b42 h GLU 118 Cb 1.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1b42 h GLU 118 CO 0.53 0.38 -0.00 1.49 -0.73 0.00 0.00 179.01 180.68 1b42 h GLU 119 N 0.60 0.56 -0.55 1.92 4.81 -2.00 -2.84 114.58 117.07 1b42 h GLU 119 Ca 0.50 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1b42 h GLU 119 Cb 0.97 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1b42 h GLU 119 CO -0.24 0.70 0.09 -0.92 -0.73 0.00 0.00 179.01 177.90 1b42 h TYR 120 N 0.36 0.92 -0.99 0.92 3.20 -1.68 -2.36 116.97 117.35 1b42 h TYR 120 Ca 0.09 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1b42 h TYR 120 Cb 0.45 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1b42 h TYR 120 CO 0.04 0.80 0.65 -0.07 -1.64 0.00 0.00 178.16 177.93 1b42 h LEU 121 N 0.84 1.08 -0.55 2.82 3.38 -1.23 -1.84 115.31 119.81 1b42 h LEU 121 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1b42 h LEU 121 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1b42 h LEU 121 CO 0.01 0.74 0.30 0.03 0.09 0.00 0.00 178.44 179.62 1b42 h ARG 122 N 1.26 0.77 -0.35 1.13 3.08 -1.19 -1.28 114.38 117.80 1b42 h ARG 122 Ca 0.39 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 1b42 h ARG 122 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1b42 h ARG 122 CO -0.12 0.59 -0.36 0.66 -1.07 0.00 0.00 179.97 179.67 1b42 h SER 123 N 0.74 0.85 -0.25 7.04 4.64 -1.22 -2.20 113.55 123.14 1b42 h SER 123 Ca 0.19 -0.37 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 1b42 h SER 123 Cb 0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1b42 h SER 123 CO -0.03 1.12 -0.28 0.16 -0.87 0.00 0.00 176.83 176.93 1b42 h ILE 124 N 0.67 1.28 -0.43 0.95 3.07 -1.20 -0.56 117.51 121.28 1b42 h ILE 124 Ca 0.06 -1.41 0.00 0.00 1.55 0.00 0.00 64.86 65.07 1b42 h ILE 124 Cb 0.91 1.30 -0.02 0.00 -0.27 0.00 0.00 36.82 38.74 1b42 h ILE 124 CO 0.08 0.46 0.29 0.50 -1.05 0.00 0.00 178.15 178.43 1b42 h LYS 125 N 0.64 0.57 -0.88 0.16 1.63 -1.14 0.71 116.57 118.26 1b42 h LYS 125 Ca 0.08 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1b42 h LYS 125 Cb 0.79 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1b42 h LYS 125 CO 0.07 0.38 0.51 0.87 -3.45 0.00 0.00 179.45 177.82 1b42 h LYS 126 N 0.59 1.22 0.00 1.90 1.57 -1.16 -1.30 116.57 119.38 1b42 h LYS 126 Ca 0.16 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1b42 h LYS 126 Cb -0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1b42 h LYS 126 CO -0.03 0.87 -0.89 -0.56 -0.57 0.00 0.00 179.45 178.26 1b42 h GLN 127 N 1.23 0.00 0.00 3.15 3.07 -0.28 -3.29 115.11 118.99 1b42 h GLN 127 Ca 0.31 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.92 1b42 h GLN 127 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.53 1b42 h GLN 127 CO -0.06 0.89 -0.66 -0.07 0.09 0.00 0.00 178.83 179.03 1b42 h LEU 128 N 0.00 0.00 -9.65 0.06 4.07 0.63 -3.46 115.31 106.96 1b42 h LEU 128 Ca -0.01 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.37 1b42 h LEU 128 Cb 1.60 0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.46 1b42 h LEU 128 CO 0.12 0.66 0.34 1.57 -1.08 0.00 0.00 178.44 180.05 1b42 n HIS 129 N -3.31 1.82 -0.56 1.13 -0.00 -0.51 -1.54 115.22 112.25 1b42 n HIS 129 Ca 0.01 0.60 -0.12 0.00 -0.00 0.00 0.00 57.72 58.21 1b42 n HIS 129 Cb 0.78 -2.34 0.17 0.00 -0.00 0.00 0.00 29.99 28.61 1b42 n HIS 129 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1b42 n PRO 130 N 0.53 2.42 -2.29 1.57 -0.04 -1.26 -5.03 135.00 130.90 1b42 n PRO 130 Ca 0.07 -2.22 -0.35 0.00 -0.04 0.00 0.00 63.50 60.95 1b42 n PRO 130 Cb 0.35 -1.91 -0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1b42 n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1b42 s SER 131 N -0.65 5.87 0.04 3.54 0.01 -0.59 -4.99 113.70 116.94 1b42 s SER 131 Ca 0.41 2.18 -0.30 0.00 1.31 0.00 0.00 55.95 59.54 1b42 s SER 131 Cb 0.34 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1b42 s SER 131 CO 0.09 -1.12 1.13 -0.54 0.41 0.00 0.00 173.24 173.21 1b42 s LYS 132 N -3.16 4.47 -0.13 12.44 -0.14 -1.26 -4.94 119.74 127.02 1b42 s LYS 132 Ca 0.70 1.66 -0.02 0.00 -1.36 0.00 0.00 55.97 56.95 1b42 s LYS 132 Cb -0.24 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.50 1b42 s LYS 132 CO 0.28 -0.19 -0.04 0.42 -0.76 0.00 0.00 175.35 175.05 1b42 s ILE 133 N 1.04 3.88 -0.16 2.17 1.01 -1.26 -1.08 121.20 126.80 1b42 s ILE 133 Ca 0.57 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1b42 s ILE 133 Cb -0.27 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1b42 s ILE 133 CO 0.29 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 175.02 1b42 s ILE 134 N -0.02 3.13 -0.11 2.92 1.01 -0.57 0.29 121.20 127.85 1b42 s ILE 134 Ca 0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1b42 s ILE 134 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1b42 s ILE 134 CO 0.03 0.49 0.00 -0.22 0.00 0.00 0.00 174.94 175.24 1b42 s LEU 135 N 0.74 3.54 -0.07 2.97 2.96 -0.62 -0.57 118.68 127.64 1b42 s LEU 135 Ca -0.05 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1b42 s LEU 135 Cb -0.15 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1b42 s LEU 135 CO 0.02 0.30 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.68 1b42 s ILE 136 N -0.44 0.65 -0.08 6.68 1.01 -0.36 -0.27 121.20 128.39 1b42 s ILE 136 Ca 0.08 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1b42 s ILE 136 Cb -0.12 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1b42 s ILE 136 CO 0.02 0.28 -0.19 -0.55 0.00 0.00 0.00 174.94 174.49 1b42 s SER 137 N 1.36 2.54 -0.13 3.58 0.15 -0.49 -1.10 113.70 119.61 1b42 s SER 137 Ca -0.03 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.41 1b42 s SER 137 Cb -0.13 -1.06 0.47 0.00 -1.71 0.00 0.00 66.02 63.59 1b42 s SER 137 CO -0.03 0.13 1.14 -0.67 1.20 0.00 0.00 173.24 175.01 1b42 n ASP 138 N 3.51 1.34 -4.77 5.45 2.03 0.09 -2.75 116.55 121.44 1b42 n ASP 138 Ca -0.20 -2.07 -0.38 0.00 0.52 0.00 0.00 54.79 52.66 1b42 n ASP 138 Cb 0.52 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 1b42 n ASP 138 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1b42 s VAL 139 N -1.88 3.13 -0.07 5.18 -7.23 -1.25 -4.75 120.40 113.53 1b42 s VAL 139 Ca 0.31 0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 61.39 1b42 s VAL 139 Cb 0.36 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.81 1b42 s VAL 139 CO -0.11 0.08 0.16 -0.13 -0.31 0.00 0.00 175.10 174.80 1b42 s ARG 140 N -2.32 0.13 0.00 4.82 0.52 -1.26 -5.00 118.95 115.84 1b42 s ARG 140 Ca 0.57 0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 56.14 1b42 s ARG 140 Cb -0.31 -0.11 -0.00 0.00 0.52 0.00 0.00 34.95 35.06 1b42 s ARG 140 CO 0.39 -0.13 1.00 0.77 0.02 0.00 0.00 175.30 177.35 1b42 h SER 141 N 6.90 -0.00 -1.55 0.23 0.02 -1.96 -3.53 113.55 113.66 1b42 h SER 141 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1b42 h SER 141 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1b42 h SER 141 CO 0.41 -0.00 0.00 -2.65 -1.14 0.00 0.00 176.83 173.45 1b42 n PRO 148 N -2.08 -1.61 -1.42 3.45 -0.01 -1.26 -5.16 135.00 126.91 1b42 n PRO 148 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 63.50 63.19 1b42 n PRO 148 Cb 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 33.50 33.60 1b42 n PRO 148 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 1b42 s SER 149 N -2.75 4.15 0.43 2.55 1.04 -1.26 -4.85 113.70 113.02 1b42 s SER 149 Ca 0.00 1.40 0.18 0.00 0.48 0.00 0.00 55.95 58.01 1b42 s SER 149 Cb 0.00 -2.11 1.00 0.00 0.10 0.00 0.00 66.02 65.00 1b42 s SER 149 CO 0.00 -2.20 1.93 0.74 0.98 0.00 0.00 173.24 174.69 1b42 h THR 150 N -1.24 0.99 -0.37 2.02 2.02 -2.00 -1.08 112.91 113.25 1b42 h THR 150 Ca -0.48 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 65.65 1b42 h THR 150 Cb 1.27 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1b42 h THR 150 CO 0.57 0.25 -0.25 0.00 0.37 0.00 0.00 175.52 176.46 1b42 h ALA 151 N 1.75 0.86 -0.17 6.16 0.00 -1.92 -1.33 119.26 124.60 1b42 h ALA 151 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1b42 h ALA 151 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b42 h ALA 151 CO 0.03 0.63 0.02 -0.44 0.00 0.00 0.00 179.25 179.50 1b42 h ASP 152 N 0.66 0.27 0.41 0.00 3.32 -1.67 -2.52 116.42 116.89 1b42 h ASP 152 Ca 0.09 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1b42 h ASP 152 Cb 0.77 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1b42 h ASP 152 CO 0.06 0.47 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.48 1b42 h LEU 153 N 0.06 -1.43 -1.10 1.55 3.38 -1.03 -0.23 115.31 116.51 1b42 h LEU 153 Ca 0.05 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.36 1b42 h LEU 153 Cb 0.32 0.49 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 1b42 h LEU 153 CO 0.00 -0.64 0.62 -0.07 0.09 0.00 0.00 178.44 178.44 1b42 h LEU 154 N -0.94 0.68 -0.59 1.67 3.38 -1.29 0.43 115.31 118.64 1b42 h LEU 154 Ca -0.05 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1b42 h LEU 154 Cb 0.85 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1b42 h LEU 154 CO -0.12 0.20 0.08 -1.28 0.09 0.00 0.00 178.44 177.40 1b42 h SER 155 N 0.63 0.96 -0.10 -0.43 0.87 -0.95 0.27 113.55 114.80 1b42 h SER 155 Ca 0.59 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1b42 h SER 155 Cb 1.10 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1b42 h SER 155 CO -0.37 0.99 -0.04 0.78 -0.53 0.00 0.00 176.83 177.65 1b42 h ASN 156 N 0.89 0.21 -0.68 6.23 -0.26 0.15 -1.86 115.58 120.26 1b42 h ASN 156 Ca 0.18 -0.40 -0.01 0.00 -0.56 0.00 0.00 56.30 55.50 1b42 h ASN 156 Cb 0.45 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.62 1b42 h ASN 156 CO 0.02 0.57 0.38 1.88 -1.06 0.00 0.00 177.43 179.22 1b42 h TYR 157 N -0.14 0.94 -0.18 1.19 0.05 -0.56 -0.40 116.97 117.88 1b42 h TYR 157 Ca 0.02 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1b42 h TYR 157 Cb 0.48 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1b42 h TYR 157 CO 0.06 0.66 -0.32 0.00 -1.05 0.00 0.00 178.16 177.51 1b42 h ALA 158 N 1.45 1.13 -0.21 3.88 0.00 -0.38 -2.25 119.26 122.88 1b42 h ALA 158 Ca 0.25 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1b42 h ALA 158 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1b42 h ALA 158 CO -0.04 0.55 -0.46 1.25 0.00 0.00 0.00 179.25 180.55 1b42 h LEU 159 N 0.31 0.77 -1.33 0.00 5.85 -0.42 -3.05 115.31 117.44 1b42 h LEU 159 Ca 0.04 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1b42 h LEU 159 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1b42 h LEU 159 CO 0.05 1.18 0.15 1.56 -0.34 0.00 0.00 178.44 181.05 1b42 h GLN 160 N 0.39 0.61 -0.10 1.25 4.20 -0.97 -0.94 115.11 119.55 1b42 h GLN 160 Ca 0.00 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1b42 h GLN 160 Cb 1.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1b42 h GLN 160 CO 0.10 0.52 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.47 1b42 h ASN 161 N 0.61 0.21 0.78 1.46 2.35 -1.41 -2.68 115.58 116.89 1b42 h ASN 161 Ca 0.15 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1b42 h ASN 161 Cb 0.15 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1b42 h ASN 161 CO -0.01 0.60 -0.68 1.62 -1.65 0.00 0.00 177.43 177.30 1b42 h VAL 162 N 0.17 1.43 -0.43 2.81 3.04 -1.23 -2.37 116.25 119.67 1b42 h VAL 162 Ca 0.02 -2.39 -0.01 0.00 -1.01 0.00 0.00 66.70 63.30 1b42 h VAL 162 Cb 0.79 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 1b42 h VAL 162 CO 0.06 0.67 0.22 0.24 -1.01 0.00 0.00 177.57 177.75 1b42 h MET 163 N 0.00 0.60 -0.20 4.17 2.86 -0.89 0.22 114.93 121.69 1b42 h MET 163 Ca -0.01 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1b42 h MET 163 Cb 1.26 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1b42 h MET 163 CO 0.09 0.50 -0.11 0.82 1.06 0.00 0.00 176.91 179.26 1b42 h ILE 164 N 0.55 1.31 -0.28 -1.22 2.04 -1.41 -0.21 117.51 118.30 1b42 h ILE 164 Ca 0.15 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 1b42 h ILE 164 Cb 0.08 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1b42 h ILE 164 CO -0.02 0.36 -0.25 0.77 0.00 0.00 0.00 178.15 179.01 1b42 h SER 165 N 0.12 0.53 0.09 1.72 4.64 -1.27 0.46 113.55 119.85 1b42 h SER 165 Ca 0.04 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.01 1b42 h SER 165 Cb 0.61 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1b42 h SER 165 CO 0.03 0.77 -0.83 0.40 -0.87 0.00 0.00 176.83 176.34 1b42 h ILE 166 N 0.47 1.40 0.00 0.95 2.04 -0.98 -3.36 117.51 118.03 1b42 h ILE 166 Ca 0.07 -2.43 -0.15 0.00 1.00 0.00 0.00 64.86 63.35 1b42 h ILE 166 Cb 0.68 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 1b42 h ILE 166 CO 0.05 0.65 -0.71 -0.07 0.00 0.00 0.00 178.15 178.08 1b42 h LEU 167 N -0.55 0.00 -3.12 1.44 4.07 -1.08 -3.47 115.31 112.59 1b42 h LEU 167 Ca -0.17 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.42 1b42 h LEU 167 Cb 1.50 0.00 0.08 0.00 1.08 0.00 0.00 40.66 43.32 1b42 h LEU 167 CO 0.06 0.71 -0.84 -3.20 -1.08 0.00 0.00 178.44 174.09 1b42 n ASN 168 N -3.48 -5.69 -4.80 -0.43 4.05 0.16 -4.86 115.26 100.21 1b42 n ASN 168 Ca 0.00 -0.88 -0.30 0.00 0.45 0.00 0.00 54.58 53.85 1b42 n ASN 168 Cb 0.75 -3.56 0.08 0.00 1.23 0.00 0.00 39.78 38.28 1b42 n ASN 168 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1b42 s PRO 169 N -5.40 2.28 0.26 1.20 0.04 -1.26 -4.71 135.00 127.42 1b42 s PRO 169 Ca 0.37 0.76 0.24 0.00 0.04 0.00 0.00 61.00 62.40 1b42 s PRO 169 Cb -0.12 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.78 1b42 s PRO 169 CO 0.84 -1.51 1.39 -0.39 0.04 0.00 0.00 177.00 177.37 1b42 h VAL 170 N -1.01 0.00 -2.50 -0.36 -1.51 -0.49 -3.42 116.25 106.96 1b42 h VAL 170 Ca -0.46 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1b42 h VAL 170 Cb 1.25 1.56 -0.15 0.00 -2.13 0.00 0.00 31.29 31.82 1b42 h VAL 170 CO 0.58 0.00 0.29 0.00 -1.23 0.00 0.00 177.57 177.21 1b42 s ALA 171 N -3.23 -1.71 -0.02 5.19 0.00 -1.25 -0.73 121.76 120.00 1b42 s ALA 171 Ca 0.05 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1b42 s ALA 171 Cb 0.09 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1b42 s ALA 171 CO 0.71 -0.62 0.23 -1.54 0.00 0.00 0.00 175.76 174.54 1b42 s SER 172 N -2.20 -0.11 -0.13 0.00 1.04 0.15 -1.58 113.70 110.87 1b42 s SER 172 Ca -0.01 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1b42 s SER 172 Cb -0.01 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1b42 s SER 172 CO -0.06 -0.36 -0.16 -0.55 0.98 0.00 0.00 173.24 173.09 1b42 s SER 173 N -1.12 2.62 0.06 7.02 0.15 0.63 -0.54 113.70 122.52 1b42 s SER 173 Ca -0.12 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.12 1b42 s SER 173 Cb -0.06 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 1b42 s SER 173 CO 0.03 0.00 -0.17 -0.76 1.20 0.00 0.00 173.24 173.54 1b42 s LEU 174 N 1.12 2.22 0.05 3.45 1.43 -0.01 -1.40 118.68 125.55 1b42 s LEU 174 Ca -0.03 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 1b42 s LEU 174 Cb -0.14 -0.71 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 1b42 s LEU 174 CO -0.05 0.04 1.28 -0.75 0.23 0.00 0.00 176.35 177.11 1b42 s LYS 175 N -1.44 4.37 -0.11 1.70 2.20 -1.11 -0.00 119.74 125.35 1b42 s LYS 175 Ca 0.03 1.87 -0.04 0.00 -0.36 0.00 0.00 55.97 57.48 1b42 s LYS 175 Cb -0.09 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1b42 s LYS 175 CO 0.02 -0.38 0.09 -0.46 -0.36 0.00 0.00 175.35 174.26 1b42 s TRP 176 N 1.41 0.08 -0.10 4.03 -0.00 -0.58 -4.83 118.94 118.95 1b42 s TRP 176 Ca 0.61 0.03 -0.03 0.00 -0.00 0.00 0.00 56.10 56.70 1b42 s TRP 176 Cb -0.31 -0.55 0.05 0.00 -0.00 0.00 0.00 33.47 32.65 1b42 s TRP 176 CO 0.28 -0.36 0.13 0.50 -0.00 0.00 0.00 176.95 177.50 1b42 s ARG 177 N 2.17 0.02 0.35 5.86 3.52 -1.26 -0.46 118.95 129.15 1b42 s ARG 177 Ca 0.04 0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 1b42 s ARG 177 Cb -0.14 -0.69 -0.10 0.00 -1.56 0.00 0.00 34.95 32.47 1b42 s ARG 177 CO -0.06 -0.41 1.30 0.00 -0.81 0.00 0.00 175.30 175.32 1b42 s PRO 179 N -1.91 2.54 0.17 0.00 0.02 -1.26 -4.94 135.00 129.62 1b42 s PRO 179 Ca 0.51 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 1b42 s PRO 179 Cb -0.39 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 1b42 s PRO 179 CO 0.52 -1.51 1.15 -0.06 -0.33 0.00 0.00 177.00 176.77 1b42 s PHE 180 N -1.95 3.51 0.29 6.54 0.08 -1.26 -4.81 117.98 120.37 1b42 s PHE 180 Ca 0.73 1.50 0.01 0.00 0.12 0.00 0.00 56.93 59.30 1b42 s PHE 180 Cb -0.27 -3.35 0.70 0.00 -0.57 0.00 0.00 43.02 39.52 1b42 s PHE 180 CO 0.41 -0.92 1.64 -1.00 -0.10 0.00 0.00 175.22 175.24 1b42 h PRO 181 N 5.31 0.16 0.00 0.24 0.13 -1.87 0.69 132.00 136.67 1b42 h PRO 181 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1b42 h PRO 181 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1b42 h PRO 181 CO 0.74 0.11 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 1b42 n ASP 182 N -5.27 0.00 -0.85 1.44 5.75 -1.26 -1.55 116.55 114.81 1b42 n ASP 182 Ca 0.21 -0.77 0.05 0.00 -0.01 0.00 0.00 54.79 54.27 1b42 n ASP 182 Cb 0.68 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.88 1b42 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b42 n GLN 183 N -0.86 0.78 -2.15 0.11 6.02 0.24 -5.08 117.38 116.43 1b42 n GLN 183 Ca 0.11 -2.46 -0.37 0.00 -0.01 0.00 0.00 57.00 54.26 1b42 n GLN 183 Cb 0.05 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1b42 n GLN 183 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1b42 s TRP 184 N -1.62 2.72 0.00 1.08 -0.11 -0.59 -4.72 118.94 115.70 1b42 s TRP 184 Ca 0.31 1.50 0.00 0.00 1.22 0.00 0.00 56.10 59.14 1b42 s TRP 184 Cb 0.32 -3.46 0.00 0.00 -1.50 0.00 0.00 33.47 28.83 1b42 s TRP 184 CO -0.09 -1.82 0.00 -0.89 -4.62 0.00 0.00 176.95 169.53 1b42 n ILE 185 N -0.71 0.00 -3.58 5.86 5.41 -1.26 -5.11 119.36 119.97 1b42 n ILE 185 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.77 1b42 n ILE 185 Cb 0.48 -0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 38.46 1b42 n ILE 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1b42 s LYS 186 N -1.90 0.44 0.38 0.38 -2.85 -1.26 -5.14 119.74 109.79 1b42 s LYS 186 Ca 0.00 -0.06 -0.27 0.00 -1.00 0.00 0.00 55.97 54.65 1b42 s LYS 186 Cb 0.00 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 1b42 s LYS 186 CO 0.00 -0.17 1.23 -0.51 0.10 0.00 0.00 175.35 176.00 1b42 s ASP 187 N -1.75 6.58 0.22 0.03 1.11 -1.26 -4.96 116.67 116.63 1b42 s ASP 187 Ca 0.05 2.49 -0.06 0.00 0.18 0.00 0.00 52.55 55.22 1b42 s ASP 187 Cb -0.01 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1b42 s ASP 187 CO -0.04 -0.65 0.27 0.72 1.18 0.00 0.00 175.17 176.65 1b42 s PHE 188 N -1.29 0.83 0.01 4.23 -0.71 -0.80 -4.93 117.98 115.32 1b42 s PHE 188 Ca 0.54 -1.11 0.03 0.00 -1.04 0.00 0.00 56.93 55.35 1b42 s PHE 188 Cb -0.35 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 1b42 s PHE 188 CO 0.45 -0.78 -0.03 0.71 -1.34 0.00 0.00 175.22 174.23 1b42 s TYR 189 N -4.10 2.99 0.11 3.49 1.51 -1.26 0.85 117.35 120.94 1b42 s TYR 189 Ca 0.32 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1b42 s TYR 189 Cb 0.04 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1b42 s TYR 189 CO 0.11 0.43 -0.11 0.96 -1.11 0.00 0.00 175.55 175.83 1b42 s ILE 190 N -1.08 1.06 0.62 2.71 -4.36 -0.39 -4.91 121.20 114.85 1b42 s ILE 190 Ca 0.19 -1.74 -0.18 0.00 -0.26 0.00 0.00 60.65 58.66 1b42 s ILE 190 Cb -0.11 -1.50 -0.02 0.00 1.25 0.00 0.00 42.46 42.08 1b42 s ILE 190 CO 0.10 -0.57 1.20 -2.84 0.24 0.00 0.00 174.94 173.07 1b42 s PRO 191 N -2.97 2.80 0.15 0.37 0.02 -1.26 -0.37 135.00 133.73 1b42 s PRO 191 Ca 0.08 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 1b42 s PRO 191 Cb -0.02 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 1b42 s PRO 191 CO 0.01 -1.33 1.00 -1.58 -0.33 0.00 0.00 177.00 174.77 1b42 s HIS 192 N -1.74 3.78 0.03 6.54 2.46 -0.01 -4.69 115.29 121.67 1b42 s HIS 192 Ca 0.76 1.76 -0.16 0.00 0.47 0.00 0.00 55.06 57.89 1b42 s HIS 192 Cb -0.29 -3.10 0.06 0.00 -0.13 0.00 0.00 32.58 29.11 1b42 s HIS 192 CO 0.36 0.02 0.76 0.41 -2.47 0.00 0.00 174.74 173.82 1b42 n GLY 193 N 2.09 0.54 3.79 1.59 0.00 -1.26 -4.71 105.19 107.23 1b42 n GLY 193 Ca 0.02 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1b42 n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b42 s ASN 194 N -2.71 7.17 -1.02 1.61 -0.87 -0.06 -4.84 114.94 114.22 1b42 s ASN 194 Ca 0.18 1.39 -0.15 0.00 -1.57 0.00 0.00 52.86 52.70 1b42 s ASN 194 Cb -0.01 -2.42 0.18 0.00 -0.02 0.00 0.00 41.25 38.99 1b42 s ASN 194 CO 0.01 0.20 1.14 -0.54 -2.57 0.00 0.00 177.10 175.34 1b42 s LYS 195 N -0.86 3.84 0.03 -0.60 -0.14 -1.26 -1.47 119.74 119.27 1b42 s LYS 195 Ca 0.32 -2.36 -0.30 0.00 -1.36 0.00 0.00 55.97 52.27 1b42 s LYS 195 Cb -0.21 -4.81 -0.06 0.00 -1.68 0.00 0.00 37.83 31.07 1b42 s LYS 195 CO 0.21 -1.60 1.38 1.41 -0.76 0.00 0.00 175.35 176.00 1b42 s MET 196 N 1.27 4.30 0.43 1.68 1.75 -0.26 -1.50 119.30 126.98 1b42 s MET 196 Ca 0.32 1.98 -0.22 0.00 -1.25 0.00 0.00 55.69 56.53 1b42 s MET 196 Cb -0.06 -3.47 -0.10 0.00 2.84 0.00 0.00 34.83 34.03 1b42 s MET 196 CO -0.06 -0.51 0.97 -0.51 -0.65 0.00 0.00 175.02 174.25 1b42 s LEU 197 N 1.96 3.97 -0.30 4.11 1.02 -0.25 -1.85 118.68 127.34 1b42 s LEU 197 Ca 0.64 1.76 -0.02 0.00 0.02 0.00 0.00 54.13 56.52 1b42 s LEU 197 Cb -0.33 -4.48 0.05 0.00 0.02 0.00 0.00 46.19 41.46 1b42 s LEU 197 CO 0.28 -0.40 0.01 -1.10 0.02 0.00 0.00 176.35 175.16 1b42 s GLN 198 N -3.05 2.48 0.59 1.70 -0.21 -1.26 -4.94 119.66 114.97 1b42 s GLN 198 Ca 0.61 -1.24 -0.18 0.00 0.02 0.00 0.00 55.36 54.58 1b42 s GLN 198 Cb -0.12 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1b42 s GLN 198 CO 0.16 -0.61 1.15 -1.25 -2.12 0.00 0.00 175.29 172.61 1b42 s PRO 199 N 1.28 3.10 -1.00 2.91 0.04 -1.26 -2.68 135.00 137.38 1b42 s PRO 199 Ca -0.05 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1b42 s PRO 199 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1b42 s PRO 199 CO -0.01 -1.06 0.00 1.19 0.04 0.00 0.00 177.00 177.17 1b42 n PHE 200 N -1.67 0.00 -1.39 0.56 3.72 -1.26 -4.54 117.46 112.87 1b42 n PHE 200 Ca 0.12 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.21 1b42 n PHE 200 Cb 0.51 -1.93 0.09 0.00 -0.94 0.00 0.00 39.48 37.21 1b42 n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b42 s ALA 201 N -2.27 2.19 0.63 4.37 0.00 -1.09 -4.57 121.76 121.02 1b42 s ALA 201 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1b42 s ALA 201 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1b42 s ALA 201 CO 0.00 -1.77 1.22 -2.30 0.00 0.00 0.00 175.76 172.92 1b42 n PRO 202 N -3.49 1.12 -0.21 0.00 -0.02 -1.26 -4.83 135.00 126.30 1b42 n PRO 202 Ca 0.08 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1b42 n PRO 202 Cb 0.54 -2.45 0.21 0.00 -0.02 0.00 0.00 33.50 31.79 1b42 n PRO 202 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1b42 n SER 203 N -1.55 -0.02 -0.70 2.55 7.64 -0.19 -0.76 113.62 120.58 1b42 n SER 203 Ca 0.15 1.04 0.06 0.00 1.01 0.00 0.00 58.87 61.13 1b42 n SER 203 Cb 0.48 -0.40 0.18 0.00 -1.01 0.00 0.00 64.21 63.45 1b42 n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1b42 n TYR 204 N -4.73 0.00 -2.37 1.43 4.01 -1.26 -4.72 117.16 109.52 1b42 n TYR 204 Ca 0.16 -1.34 -0.41 0.00 -0.16 0.00 0.00 57.90 56.15 1b42 n TYR 204 Cb 0.53 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 1b42 n TYR 204 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1b42 s SER 205 N -3.05 7.11 0.00 7.72 0.15 0.06 -4.93 113.70 120.76 1b42 s SER 205 Ca 0.37 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.56 1b42 s SER 205 Cb 0.37 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 62.57 1b42 s SER 205 CO -0.08 -0.30 1.44 0.00 1.20 0.00 0.00 173.24 175.50 1b42 n ALA 206 N 1.64 2.36 -1.81 5.45 0.00 -1.26 -4.93 120.51 121.96 1b42 n ALA 206 Ca 0.01 -1.17 -0.39 0.00 0.00 0.00 0.00 53.44 51.90 1b42 n ALA 206 Cb 0.44 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 1b42 n ALA 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1b42 s GLU 207 N -1.15 4.73 0.26 0.00 2.12 -1.26 -4.56 118.70 118.84 1b42 s GLU 207 Ca 0.41 1.37 0.06 0.00 0.36 0.00 0.00 54.97 57.18 1b42 s GLU 207 Cb 0.22 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1b42 s GLU 207 CO 0.30 0.48 0.22 0.00 -0.54 0.00 0.00 175.26 175.72 1b42 n MET 208 N 1.30 0.33 -5.13 4.30 0.00 0.39 -4.52 117.12 113.79 1b42 n MET 208 Ca -0.02 -2.60 -0.31 0.00 0.00 0.00 0.00 57.70 54.77 1b42 n MET 208 Cb 0.48 2.12 -0.17 0.00 0.00 0.00 0.00 33.22 35.65 1b42 n MET 208 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1b42 s ARG 209 N -3.06 2.77 -0.52 3.17 1.81 -0.77 -1.53 118.95 120.82 1b42 s ARG 209 Ca 0.31 -0.81 -0.22 0.00 -1.72 0.00 0.00 55.73 53.29 1b42 s ARG 209 Cb 0.02 -2.14 0.05 0.00 -0.45 0.00 0.00 34.95 32.42 1b42 s ARG 209 CO 0.22 0.18 0.77 -1.17 -0.68 0.00 0.00 175.30 174.63 1b42 s LEU 210 N 0.32 4.52 -0.21 2.53 2.96 0.99 -1.10 118.68 128.69 1b42 s LEU 210 Ca -0.16 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 1b42 s LEU 210 Cb -0.17 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1b42 s LEU 210 CO 0.07 -1.03 0.37 -0.76 -1.32 0.00 0.00 176.35 173.68 1b42 s LEU 211 N 3.26 4.14 0.00 -0.68 1.43 -0.54 -0.83 118.68 125.46 1b42 s LEU 211 Ca 0.23 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1b42 s LEU 211 Cb -0.16 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 1b42 s LEU 211 CO 0.16 -0.06 0.01 -0.44 0.23 0.00 0.00 176.35 176.24 1b42 s SER 212 N 1.07 0.05 -0.13 2.29 0.01 0.30 -0.88 113.70 116.40 1b42 s SER 212 Ca 0.17 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1b42 s SER 212 Cb -0.15 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1b42 s SER 212 CO 0.08 -0.08 -0.21 -0.63 0.41 0.00 0.00 173.24 172.81 1b42 s ILE 213 N -0.37 1.94 -0.38 1.44 1.01 -1.26 0.32 121.20 123.91 1b42 s ILE 213 Ca -0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 1b42 s ILE 213 Cb -0.03 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1b42 s ILE 213 CO -0.00 0.53 0.47 -0.31 0.00 0.00 0.00 174.94 175.62 1b42 s TYR 214 N 0.85 3.17 0.10 3.97 2.02 0.09 -4.95 117.35 122.59 1b42 s TYR 214 Ca -0.07 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1b42 s TYR 214 Cb -0.15 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1b42 s TYR 214 CO -0.02 -0.59 0.09 0.99 -1.57 0.00 0.00 175.55 174.45 1b42 s THR 215 N 2.27 4.52 0.00 -0.71 2.01 -1.26 -4.84 115.64 117.62 1b42 s THR 215 Ca 0.15 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1b42 s THR 215 Cb -0.16 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1b42 s THR 215 CO 0.14 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1b42 n GLY 216 N 0.30 0.82 0.60 4.40 0.00 -1.26 -3.86 105.19 106.19 1b42 n GLY 216 Ca -0.09 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.15 1b42 n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1b42 n GLU 217 N 0.00 2.80 -2.70 1.61 0.28 -1.26 -5.02 120.64 116.35 1b42 n GLU 217 Ca 0.00 -2.25 -0.29 0.00 -0.16 0.00 0.00 57.16 54.46 1b42 n GLU 217 Cb 0.00 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 1b42 n GLU 217 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1b42 s ASN 218 N -1.40 6.40 -0.12 -1.84 -0.87 -1.25 -5.09 114.94 110.77 1b42 s ASN 218 Ca 0.26 1.07 -0.03 0.00 -1.57 0.00 0.00 52.86 52.59 1b42 s ASN 218 Cb 0.18 -2.30 0.05 0.00 -0.02 0.00 0.00 41.25 39.16 1b42 s ASN 218 CO 0.11 -0.50 0.06 -0.32 -2.57 0.00 0.00 177.10 173.88 1b42 s MET 219 N -4.30 0.17 -0.20 -0.60 1.75 -1.26 -4.76 119.30 110.10 1b42 s MET 219 Ca 0.50 0.03 -0.10 0.00 -1.25 0.00 0.00 55.69 54.87 1b42 s MET 219 Cb -0.10 -1.39 -0.05 0.00 2.84 0.00 0.00 34.83 36.13 1b42 s MET 219 CO 0.38 -0.52 0.13 0.50 -0.65 0.00 0.00 175.02 174.86 1b42 s ARG 220 N 2.09 4.14 0.41 4.11 3.52 -1.26 -5.07 118.95 126.89 1b42 s ARG 220 Ca 0.03 -0.25 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 1b42 s ARG 220 Cb -0.15 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1b42 s ARG 220 CO -0.07 0.25 0.12 -0.51 -0.81 0.00 0.00 175.30 174.28 1b42 s LEU 221 N 0.49 3.02 -0.09 -0.88 1.43 -1.26 -0.83 118.68 120.57 1b42 s LEU 221 Ca 0.07 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 1b42 s LEU 221 Cb -0.12 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1b42 s LEU 221 CO -0.01 -0.51 0.22 0.42 0.23 0.00 0.00 176.35 176.70 1b42 s THR 222 N -2.64 -0.02 0.39 5.49 -4.23 0.50 -4.71 115.64 110.41 1b42 s THR 222 Ca 0.39 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.71 1b42 s THR 222 Cb 0.06 -0.33 -0.09 0.00 1.34 0.00 0.00 72.50 73.48 1b42 s THR 222 CO 0.21 0.03 1.07 -0.60 -0.54 0.00 0.00 174.62 174.78 1b42 s ARG 223 N 0.57 4.19 -0.16 3.99 3.52 -1.26 -1.26 118.95 128.53 1b42 s ARG 223 Ca -0.04 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 1b42 s ARG 223 Cb -0.05 -2.62 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1b42 s ARG 223 CO -0.03 -0.14 -0.12 0.54 -0.81 0.00 0.00 175.30 174.74 1b42 s VAL 224 N -1.57 1.52 0.50 7.11 0.11 0.25 -4.94 120.40 123.37 1b42 s VAL 224 Ca 0.56 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1b42 s VAL 224 Cb -0.24 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1b42 s VAL 224 CO 0.30 0.35 0.53 0.42 -3.33 0.00 0.00 175.10 173.37 1b42 s THR 225 N 1.49 2.22 0.27 5.04 -4.23 -1.26 -1.91 115.64 117.26 1b42 s THR 225 Ca 0.03 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1b42 s THR 225 Cb -0.14 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.34 1b42 s THR 225 CO -0.10 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.25 1b42 h LYS 226 N 0.65 0.68 -0.39 3.99 3.64 -1.97 -0.09 116.57 123.07 1b42 h LYS 226 Ca -0.36 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 58.75 1b42 h LYS 226 Cb 1.29 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1b42 h LYS 226 CO 0.51 0.74 -0.08 0.66 -2.27 0.00 0.00 179.45 179.02 1b42 h SER 227 N 0.63 0.65 -0.55 4.20 4.64 -1.99 -0.02 113.55 121.11 1b42 h SER 227 Ca 0.12 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1b42 h SER 227 Cb 0.49 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1b42 h SER 227 CO 0.03 0.77 0.14 0.44 -0.87 0.00 0.00 176.83 177.33 1b42 h ASP 228 N 0.62 0.83 -0.24 4.97 3.32 -1.75 -1.23 116.42 122.94 1b42 h ASP 228 Ca 0.11 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1b42 h ASP 228 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1b42 h ASP 228 CO 0.03 0.84 0.12 0.00 -1.72 0.00 0.00 179.24 178.51 1b42 h ALA 229 N 1.02 1.71 -0.19 3.45 0.00 -0.03 -0.85 119.26 124.37 1b42 h ALA 229 Ca 0.17 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1b42 h ALA 229 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b42 h ALA 229 CO 0.00 0.24 -0.52 0.28 0.00 0.00 0.00 179.25 179.25 1b42 h VAL 230 N 0.38 1.32 -0.18 0.00 2.07 -0.45 -3.02 116.25 116.36 1b42 h VAL 230 Ca 0.10 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.87 1b42 h VAL 230 Cb 0.06 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1b42 h VAL 230 CO -0.01 0.55 0.08 -1.13 0.02 0.00 0.00 177.57 177.08 1b42 h ASN 231 N 0.37 0.12 -0.62 0.57 -0.00 -0.24 -2.41 115.58 113.37 1b42 h ASN 231 Ca -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 56.30 56.38 1b42 h ASN 231 Cb 1.14 -0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 39.38 1b42 h ASN 231 CO 0.11 0.09 0.27 1.88 -0.00 0.00 0.00 177.43 179.79 1b42 h TYR 232 N 0.18 0.48 -0.72 0.67 0.05 -1.24 -0.80 116.97 115.60 1b42 h TYR 232 Ca 0.07 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1b42 h TYR 232 Cb 0.03 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1b42 h TYR 232 CO -0.10 0.17 0.35 1.49 -1.05 0.00 0.00 178.16 179.01 1b42 h GLU 233 N 0.49 1.03 0.14 4.88 4.81 -1.38 -0.37 114.58 124.17 1b42 h GLU 233 Ca 0.30 -0.15 -0.28 0.00 -0.13 0.00 0.00 59.36 59.10 1b42 h GLU 233 Cb 0.33 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1b42 h GLU 233 CO -0.27 0.81 -1.25 0.87 -0.73 0.00 0.00 179.01 178.44 1b42 h LYS 234 N 1.00 0.34 -0.14 1.92 1.57 -0.91 -1.70 116.57 118.66 1b42 h LYS 234 Ca 0.25 -0.55 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1b42 h LYS 234 Cb 0.11 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1b42 h LYS 234 CO -0.03 1.25 -0.25 0.87 -0.57 0.00 0.00 179.45 180.72 1b42 h LYS 235 N 0.11 0.41 0.00 3.15 1.79 -1.18 -0.48 116.57 120.37 1b42 h LYS 235 Ca -0.15 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 57.98 1b42 h LYS 235 Cb 1.96 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.63 1b42 h LYS 235 CO 0.21 0.86 -0.36 0.52 -1.08 0.00 0.00 179.45 179.60 1b42 h MET 236 N 0.01 0.00 -0.03 3.15 2.86 -1.16 -1.01 114.93 118.76 1b42 h MET 236 Ca 0.01 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1b42 h MET 236 Cb 0.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1b42 h MET 236 CO 0.06 0.36 -0.78 -0.92 1.06 0.00 0.00 176.91 176.68 1b42 h TYR 237 N 0.00 0.35 -0.15 -0.22 3.20 -1.23 -1.51 116.97 117.41 1b42 h TYR 237 Ca -0.00 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 1b42 h TYR 237 Cb 0.82 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 1b42 h TYR 237 CO 0.00 0.93 -0.26 -0.92 -1.64 0.00 0.00 178.16 176.27 1b42 h TYR 238 N 0.16 0.55 -0.28 -3.82 3.20 -0.94 -1.75 116.97 114.09 1b42 h TYR 238 Ca -0.03 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.69 1b42 h TYR 238 Cb 1.37 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1b42 h TYR 238 CO 0.03 0.88 0.03 1.25 -1.64 0.00 0.00 178.16 178.71 1b42 h LEU 239 N 0.06 -0.05 0.18 2.82 5.85 -1.15 -0.99 115.31 122.03 1b42 h LEU 239 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1b42 h LEU 239 Cb 0.84 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1b42 h LEU 239 CO 0.06 0.01 -0.09 0.78 -0.34 0.00 0.00 178.44 178.86 1b42 h ASN 240 N 0.12 -0.20 -0.26 1.25 2.35 -1.31 0.32 115.58 117.84 1b42 h ASN 240 Ca 0.13 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 1b42 h ASN 240 Cb 0.15 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1b42 h ASN 240 CO -0.20 0.22 -0.22 0.50 -1.65 0.00 0.00 177.43 176.08 1b42 h LYS 241 N -0.67 0.61 0.00 0.81 1.63 -1.35 -3.36 116.57 114.24 1b42 h LYS 241 Ca -0.02 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1b42 h LYS 241 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1b42 h LYS 241 CO 0.04 0.90 -0.21 -0.89 -3.45 0.00 0.00 179.45 175.84 1b42 n ILE 242 N -4.36 0.37 0.24 2.00 2.08 -0.39 -4.46 119.36 114.83 1b42 n ILE 242 Ca -0.04 0.42 -0.17 0.00 0.56 0.00 0.00 62.75 63.52 1b42 n ILE 242 Cb 0.42 -1.72 -0.09 0.00 -0.75 0.00 0.00 39.64 37.50 1b42 n ILE 242 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1b42 h VAL 243 N -0.25 0.00 0.00 1.39 2.07 -1.28 -2.04 116.25 116.14 1b42 h VAL 243 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b42 h VAL 243 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1b42 h VAL 243 CO 0.00 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.13 1b42 n ARG 244 N -5.37 0.01 -0.20 1.57 1.74 0.11 -0.90 116.66 113.63 1b42 n ARG 244 Ca -0.11 0.33 0.11 0.00 -0.77 0.00 0.00 57.85 57.41 1b42 n ARG 244 Cb 0.43 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.62 1b42 n ARG 244 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1b42 n ASN 245 N -1.34 3.22 -4.86 0.55 3.02 -0.77 -4.54 115.26 110.55 1b42 n ASN 245 Ca 0.01 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.26 1b42 n ASN 245 Cb 0.01 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1b42 n ASN 245 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1b42 s LYS 246 N -1.47 3.92 -0.33 3.52 -0.14 -0.07 -4.77 119.74 120.40 1b42 s LYS 246 Ca 0.39 0.44 -0.09 0.00 -1.36 0.00 0.00 55.97 55.34 1b42 s LYS 246 Cb 0.22 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1b42 s LYS 246 CO 0.31 0.36 0.16 0.08 -0.76 0.00 0.00 175.35 175.49 1b42 s VAL 247 N -1.69 4.47 -1.08 3.17 1.01 -0.22 -0.89 120.40 125.17 1b42 s VAL 247 Ca 0.44 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1b42 s VAL 247 Cb -0.13 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 33.01 1b42 s VAL 247 CO 0.20 -0.03 1.37 -0.69 0.00 0.00 0.00 175.10 175.95 1b42 s VAL 248 N 1.57 4.51 0.57 2.92 1.01 -0.06 0.03 120.40 130.94 1b42 s VAL 248 Ca 0.03 -1.69 0.26 0.00 0.00 0.00 0.00 61.98 60.58 1b42 s VAL 248 Cb -0.18 -4.94 0.35 0.00 0.00 0.00 0.00 36.38 31.61 1b42 s VAL 248 CO 0.06 -1.72 2.11 -0.37 0.00 0.00 0.00 175.10 175.18 1b42 h VAL 249 N 5.74 0.63 -0.29 2.92 -1.51 -1.29 0.19 116.25 122.64 1b42 h VAL 249 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1b42 h VAL 249 Cb 0.96 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1b42 h VAL 249 CO 1.27 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 177.15 1b42 n ASN 250 N -4.05 2.90 -4.21 4.19 2.04 -1.26 -4.63 115.26 110.23 1b42 n ASN 250 Ca 0.02 -2.33 -0.41 0.00 -0.44 0.00 0.00 54.58 51.41 1b42 n ASN 250 Cb 0.30 -0.50 -0.08 0.00 -2.53 0.00 0.00 39.78 36.97 1b42 n ASN 250 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1b42 s PHE 251 N -1.76 3.45 -0.84 -2.53 5.36 0.05 -4.99 117.98 116.73 1b42 s PHE 251 Ca 0.25 -1.95 -0.25 0.00 -0.96 0.00 0.00 56.93 54.01 1b42 s PHE 251 Cb 0.18 -3.50 0.04 0.00 -0.34 0.00 0.00 43.02 39.39 1b42 s PHE 251 CO 0.09 -0.98 1.32 0.34 -1.46 0.00 0.00 175.22 174.54 1b42 s ASP 252 N 2.47 6.29 0.00 6.13 2.15 -1.26 -4.70 116.67 127.75 1b42 s ASP 252 Ca 0.08 -0.85 -0.27 0.00 0.43 0.00 0.00 52.55 51.94 1b42 s ASP 252 Cb -0.25 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.88 1b42 s ASP 252 CO -0.02 -1.70 0.62 -0.47 -0.17 0.00 0.00 175.17 173.44 1b42 s TYR 253 N 5.35 -0.57 0.54 -5.34 5.04 -1.26 -5.02 117.35 116.09 1b42 s TYR 253 Ca 0.38 0.83 0.31 0.00 -2.44 0.00 0.00 57.07 56.16 1b42 s TYR 253 Cb -0.06 0.40 1.48 0.00 0.35 0.00 0.00 41.96 44.14 1b42 s TYR 253 CO 0.06 -0.64 1.89 -1.35 -1.34 0.00 0.00 175.55 174.17 1b42 h PRO 254 N 2.85 0.00 -4.30 4.97 0.11 -2.02 -3.36 132.00 130.25 1b42 h PRO 254 Ca -0.29 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.28 1b42 h PRO 254 Cb 1.18 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 1b42 h PRO 254 CO 0.39 0.00 -0.81 1.21 -0.21 0.00 0.00 178.00 178.59 1b42 s ASN 255 N -5.61 2.23 0.00 -2.05 3.04 -1.26 -5.01 114.94 106.27 1b42 s ASN 255 Ca -0.05 -0.33 0.24 0.00 0.04 0.00 0.00 52.86 52.76 1b42 s ASN 255 Cb 0.21 -0.89 0.18 0.00 -1.54 0.00 0.00 41.25 39.22 1b42 s ASN 255 CO 0.75 -0.10 1.22 0.00 -3.04 0.00 0.00 177.10 175.93 1b42 n GLN 256 N 4.87 1.38 -1.63 0.43 6.02 -1.26 -4.55 117.38 122.65 1b42 n GLN 256 Ca -0.13 -1.10 -0.38 0.00 -0.01 0.00 0.00 57.00 55.38 1b42 n GLN 256 Cb 0.50 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.33 1b42 n GLN 256 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1b42 n GLU 257 N 0.15 1.04 -0.22 -1.09 1.02 -1.26 -0.88 120.64 119.39 1b42 n GLU 257 Ca 0.11 0.39 -0.03 0.00 -0.02 0.00 0.00 57.16 57.61 1b42 n GLU 257 Cb 0.47 -2.19 0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1b42 n GLU 257 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1b42 h TYR 258 N 0.71 -0.72 -0.57 -0.32 3.20 -1.25 -1.38 116.97 116.64 1b42 h TYR 258 Ca -0.48 0.07 0.13 0.00 3.14 0.00 0.00 58.73 61.59 1b42 h TYR 258 Cb 1.35 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 40.01 1b42 h TYR 258 CO 0.39 -0.35 0.40 -0.44 -1.64 0.00 0.00 178.16 176.51 1b42 h ASP 259 N -0.10 0.19 0.28 -2.11 5.19 -1.87 0.68 116.42 118.68 1b42 h ASP 259 Ca 0.27 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.43 1b42 h ASP 259 Cb 0.54 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.03 1b42 h ASP 259 CO -0.70 0.11 -1.11 1.88 -3.12 0.00 0.00 179.24 176.30 1b42 h TYR 260 N 0.21 0.77 -0.53 4.55 -1.99 -1.59 0.27 116.97 118.66 1b42 h TYR 260 Ca 0.27 -0.46 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 1b42 h TYR 260 Cb 0.79 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 1b42 h TYR 260 CO -0.00 1.31 0.10 0.35 -0.00 0.00 0.00 178.16 179.92 1b42 h PHE 261 N 0.24 0.91 -0.33 4.88 3.57 -0.31 -0.43 116.94 125.46 1b42 h PHE 261 Ca -0.13 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 1b42 h PHE 261 Cb 1.77 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1b42 h PHE 261 CO 0.08 0.81 -0.07 1.25 -2.23 0.00 0.00 178.31 178.16 1b42 h HIS 262 N 0.75 0.71 -0.73 0.41 2.76 0.32 -3.03 115.15 116.35 1b42 h HIS 262 Ca 0.16 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1b42 h HIS 262 Cb 0.38 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1b42 h HIS 262 CO 0.03 0.80 0.48 1.98 -1.30 0.00 0.00 177.93 179.92 1b42 h MET 263 N 0.42 0.95 -0.72 5.26 1.85 -0.27 -2.79 114.93 119.64 1b42 h MET 263 Ca 0.09 -0.06 0.12 0.00 -0.61 0.00 0.00 59.70 59.24 1b42 h MET 263 Cb 0.56 -0.22 -0.08 0.00 0.43 0.00 0.00 31.60 32.30 1b42 h MET 263 CO 0.03 0.63 0.31 -0.92 -0.40 0.00 0.00 176.91 176.56 1b42 h TYR 264 N 0.98 0.54 0.00 1.39 5.03 -0.96 0.19 116.97 124.13 1b42 h TYR 264 Ca 0.27 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.56 1b42 h TYR 264 Cb -0.11 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 1b42 h TYR 264 CO -0.02 0.12 -0.24 0.74 -1.32 0.00 0.00 178.16 177.44 1b42 h PHE 265 N 0.49 0.00 0.09 -3.82 -1.00 -1.39 -0.69 116.94 110.63 1b42 h PHE 265 Ca 0.38 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.96 1b42 h PHE 265 Cb 0.50 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.08 1b42 h PHE 265 CO -0.15 0.24 -0.82 0.52 -1.61 0.00 0.00 178.31 176.49 1b42 h MET 266 N 0.00 0.39 0.00 1.51 2.86 -0.77 -3.29 114.93 115.63 1b42 h MET 266 Ca -0.00 -0.55 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1b42 h MET 266 Cb 0.45 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1b42 h MET 266 CO 0.03 1.22 -0.19 -0.07 1.06 0.00 0.00 176.91 178.96 1b42 h LEU 267 N -0.17 0.00 -0.66 1.22 3.38 -0.48 -2.40 115.31 116.21 1b42 h LEU 267 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1b42 h LEU 267 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1b42 h LEU 267 CO 0.16 0.19 0.00 -2.11 0.09 0.00 0.00 178.44 176.77 1b42 n ARG 268 N -3.61 0.15 0.01 1.13 1.85 -0.29 -2.43 116.66 113.47 1b42 n ARG 268 Ca -0.01 0.43 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 1b42 n ARG 268 Cb 0.32 -1.81 0.19 0.00 -1.05 0.00 0.00 32.46 30.12 1b42 n ARG 268 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1b42 n THR 269 N -2.09 0.04 -2.54 8.89 -2.24 -0.90 -4.92 114.28 110.52 1b42 n THR 269 Ca 0.02 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1b42 n THR 269 Cb 0.19 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1b42 n THR 269 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1b42 s VAL 270 N -3.03 3.91 0.26 2.28 1.01 -1.02 -4.86 120.40 118.95 1b42 s VAL 270 Ca 0.10 1.66 -0.20 0.00 0.00 0.00 0.00 61.98 63.54 1b42 s VAL 270 Cb 0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1b42 s VAL 270 CO 0.72 0.29 0.77 -0.31 0.00 0.00 0.00 175.10 176.57 1b42 s TYR 271 N -0.29 3.61 0.07 5.22 2.02 -1.26 -5.09 117.35 121.63 1b42 s TYR 271 Ca 0.49 1.43 0.01 0.00 -0.37 0.00 0.00 57.07 58.63 1b42 s TYR 271 Cb -0.29 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1b42 s TYR 271 CO 0.35 0.27 -0.06 0.00 -1.57 0.00 0.00 175.55 174.54 1b42 h ASN 273 N 3.41 0.51 -3.65 0.00 2.35 -1.98 -3.45 115.58 112.76 1b42 h ASN 273 Ca -0.35 -0.94 -0.52 0.00 -0.55 0.00 0.00 56.30 53.94 1b42 h ASN 273 Cb 1.17 -0.16 0.05 0.00 0.05 0.00 0.00 38.32 39.43 1b42 h ASN 273 CO 0.59 1.46 0.65 -0.75 -1.65 0.00 0.00 177.43 177.73 1b42 s LYS 274 N -2.46 4.38 -0.04 0.81 2.20 -1.26 -5.01 119.74 118.37 1b42 s LYS 274 Ca -0.14 2.15 -0.12 0.00 -0.36 0.00 0.00 55.97 57.50 1b42 s LYS 274 Cb 0.02 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1b42 s LYS 274 CO 0.84 -0.21 0.32 0.99 -0.36 0.00 0.00 175.35 176.93 1b42 s THR 275 N -0.60 5.19 0.06 3.43 2.01 -1.26 -5.09 115.64 119.37 1b42 s THR 275 Ca 0.52 0.62 0.08 0.00 0.31 0.00 0.00 61.69 63.22 1b42 s THR 275 Cb -0.38 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1b42 s THR 275 CO 0.46 0.58 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.40 1b42 s PHE 276 N -1.07 1.83 0.30 4.92 0.40 -1.26 -5.05 117.98 118.05 1b42 s PHE 276 Ca 0.21 -0.38 0.12 0.00 -0.60 0.00 0.00 56.93 56.28 1b42 s PHE 276 Cb -0.15 -1.07 0.55 0.00 0.51 0.00 0.00 43.02 42.86 1b42 s PHE 276 CO 0.11 0.12 1.72 -1.00 0.70 0.00 0.00 175.22 176.86 1b42 h PRO 277 N 4.68 0.00 -4.38 0.24 0.13 -1.98 -3.46 132.00 127.23 1b42 h PRO 277 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 1b42 h PRO 277 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1b42 h PRO 277 CO 0.43 0.49 -0.69 0.95 -0.23 0.00 0.00 178.00 178.95 1b42 s THR 278 N -3.85 0.39 0.35 1.56 -4.23 -1.26 -5.04 115.64 103.57 1b42 s THR 278 Ca -0.02 -1.76 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1b42 s THR 278 Cb 0.13 -1.45 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1b42 s THR 278 CO 0.74 -0.89 1.82 0.74 -0.54 0.00 0.00 174.62 176.48 1b42 h THR 279 N 3.25 1.25 -0.44 3.99 2.02 -2.00 -2.21 112.91 118.77 1b42 h THR 279 Ca -0.34 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1b42 h THR 279 Cb 1.16 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1b42 h THR 279 CO 0.63 0.35 0.03 0.50 0.37 0.00 0.00 175.52 177.40 1b42 h LYS 280 N 0.13 0.70 -0.57 6.66 3.64 -1.98 -0.08 116.57 125.07 1b42 h LYS 280 Ca 0.02 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1b42 h LYS 280 Cb 0.62 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1b42 h LYS 280 CO 0.04 0.69 0.13 0.00 -2.27 0.00 0.00 179.45 178.05 1b42 h ALA 281 N 1.37 0.75 0.33 5.00 0.00 -1.82 -0.30 119.26 124.59 1b42 h ALA 281 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1b42 h ALA 281 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1b42 h ALA 281 CO 0.01 0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 179.34 1b42 h LYS 282 N 0.81 -0.43 -0.19 0.00 3.64 -1.08 -2.75 116.57 116.57 1b42 h LYS 282 Ca 0.18 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1b42 h LYS 282 Cb 0.36 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1b42 h LYS 282 CO 0.00 -0.11 -0.17 0.28 -2.27 0.00 0.00 179.45 177.18 1b42 h VAL 283 N -0.82 0.53 -0.84 2.00 2.07 -1.03 0.11 116.25 118.26 1b42 h VAL 283 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.63 1b42 h VAL 283 Cb 0.52 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1b42 h VAL 283 CO 0.07 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 178.01 1b42 h LEU 284 N -0.19 0.48 0.42 2.57 3.38 -1.13 0.16 115.31 121.01 1b42 h LEU 284 Ca 0.12 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1b42 h LEU 284 Cb 0.37 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1b42 h LEU 284 CO -0.30 0.19 -0.20 0.15 0.09 0.00 0.00 178.44 178.36 1b42 h PHE 285 N 0.58 -0.52 -0.79 1.13 3.04 -0.88 0.11 116.94 119.60 1b42 h PHE 285 Ca 0.47 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.38 1b42 h PHE 285 Cb 0.69 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 1b42 h PHE 285 CO -0.10 -0.26 0.40 -0.07 -2.02 0.00 0.00 178.31 176.26 1b42 h LEU 286 N -0.70 1.01 0.02 0.59 3.38 -0.29 0.10 115.31 119.42 1b42 h LEU 286 Ca -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1b42 h LEU 286 Cb 0.50 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1b42 h LEU 286 CO 0.09 0.84 -0.01 -0.61 0.09 0.00 0.00 178.44 178.85 1b42 h GLN 287 N 1.12 -0.02 -0.16 1.13 4.15 -0.63 0.25 115.11 120.95 1b42 h GLN 287 Ca 0.28 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1b42 h GLN 287 Cb 0.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1b42 h GLN 287 CO -0.04 0.35 -0.18 0.37 -1.93 0.00 0.00 178.83 177.40 1b42 h GLN 288 N -0.39 -0.20 -0.47 1.69 -0.00 -0.62 0.18 115.11 115.30 1b42 h GLN 288 Ca -0.00 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.74 1b42 h GLN 288 Cb 0.38 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.84 1b42 h GLN 288 CO 0.00 -0.14 0.09 1.03 0.00 0.00 0.00 178.83 179.82 1b42 h SER 289 N -0.21 0.01 -0.40 -0.69 0.87 -0.69 0.68 113.55 113.11 1b42 h SER 289 Ca 0.11 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1b42 h SER 289 Cb 0.37 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1b42 h SER 289 CO -0.29 0.03 0.09 0.40 -0.53 0.00 0.00 176.83 176.54 1b42 h ILE 290 N 0.23 1.23 -0.63 2.23 2.04 0.22 -1.02 117.51 121.82 1b42 h ILE 290 Ca 0.23 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1b42 h ILE 290 Cb 0.30 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1b42 h ILE 290 CO -0.30 0.28 0.03 -0.26 0.00 0.00 0.00 178.15 177.90 1b42 h PHE 291 N 0.51 1.17 -0.26 1.37 -1.00 -0.25 -0.81 116.94 117.68 1b42 h PHE 291 Ca 0.13 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 1b42 h PHE 291 Cb 0.33 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1b42 h PHE 291 CO 0.02 1.01 0.09 -0.09 -1.61 0.00 0.00 178.31 177.74 1b42 h ARG 292 N 0.99 0.40 -0.21 1.51 2.43 -0.70 0.51 114.38 119.31 1b42 h ARG 292 Ca 0.18 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1b42 h ARG 292 Cb 0.53 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1b42 h ARG 292 CO 0.03 0.45 -0.01 0.35 -1.51 0.00 0.00 179.97 179.27 1b42 h PHE 293 N 0.27 -0.03 0.00 2.20 3.57 -1.02 -2.15 116.94 119.77 1b42 h PHE 293 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1b42 h PHE 293 Cb 0.21 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1b42 h PHE 293 CO -0.00 -0.05 0.00 1.28 -2.23 0.00 0.00 178.31 177.31 1b42 n LEU 294 N -5.15 0.00 -1.44 0.59 4.77 -0.32 -4.90 117.00 110.54 1b42 n LEU 294 Ca -0.02 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1b42 n LEU 294 Cb 0.12 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1b42 n LEU 294 CO 0.25 -0.06 -0.06 -3.20 -1.33 0.00 0.00 177.39 172.99 1b42 n ASN 295 N -1.31 -3.68 -4.54 -1.43 4.05 0.02 -4.90 115.26 103.46 1b42 n ASN 295 Ca 0.11 -0.09 -0.40 0.00 0.45 0.00 0.00 54.58 54.65 1b42 n ASN 295 Cb 0.20 -2.73 -0.10 0.00 1.23 0.00 0.00 39.78 38.38 1b42 n ASN 295 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1b42 s ILE 296 N -2.71 5.27 -0.00 -1.44 1.01 -0.31 -4.98 121.20 118.03 1b42 s ILE 296 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1b42 s ILE 296 Cb -0.04 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1b42 s ILE 296 CO 0.11 0.02 0.00 -2.65 0.00 0.00 0.00 174.94 172.41