#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgh s ILE 5 N 0.00 4.20 -0.52 2.28 -1.09 -0.29 -4.92 121.20 120.86 1sgh s ILE 5 Ca 0.00 -0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 1sgh s ILE 5 Cb 0.00 -2.79 0.07 0.00 -1.58 0.00 0.00 42.46 38.16 1sgh s ILE 5 CO 0.00 0.55 0.61 -0.55 -1.23 0.00 0.00 174.94 174.32 1sgh s SER 6 N -1.04 6.21 0.45 3.58 0.15 -1.26 -3.67 113.70 118.12 1sgh s SER 6 Ca 0.15 -1.06 0.04 0.00 0.70 0.00 0.00 55.95 55.78 1sgh s SER 6 Cb -0.11 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 1sgh s SER 6 CO 0.04 -0.90 0.01 -0.69 1.20 0.00 0.00 173.24 172.90 1sgh s VAL 7 N 2.51 1.54 -0.28 4.45 1.01 -1.01 -0.18 120.40 128.44 1sgh s VAL 7 Ca 0.13 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.97 1sgh s VAL 7 Cb -0.21 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.68 1sgh s VAL 7 CO 0.10 0.00 0.66 -0.60 0.00 0.00 0.00 175.10 175.27 1sgh s ARG 8 N -3.79 0.65 -0.09 2.72 3.52 -0.75 -1.57 118.95 119.64 1sgh s ARG 8 Ca 0.22 1.30 -0.06 0.00 -0.13 0.00 0.00 55.73 57.06 1sgh s ARG 8 Cb 0.06 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1sgh s ARG 8 CO 0.11 -0.17 0.15 0.08 -0.81 0.00 0.00 175.30 174.66 1sgh s VAL 9 N 2.11 5.47 -0.03 7.11 1.01 0.99 -2.91 120.40 134.14 1sgh s VAL 9 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1sgh s VAL 9 Cb -0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1sgh s VAL 9 CO -0.19 0.55 -0.22 -0.89 0.00 0.00 0.00 175.10 174.34 1sgh s THR 10 N -1.10 2.35 0.31 3.92 2.01 -0.17 0.20 115.64 123.17 1sgh s THR 10 Ca 0.18 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1sgh s THR 10 Cb -0.12 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 1sgh s THR 10 CO 0.07 0.58 0.03 0.35 -0.69 0.00 0.00 174.62 174.97 1sgh n THR 11 N 2.47 0.00 0.23 -0.82 -2.24 0.20 -1.28 114.28 112.85 1sgh n THR 11 Ca -0.17 -1.55 0.06 0.00 -2.27 0.00 0.00 64.05 60.13 1sgh n THR 11 Cb 0.51 0.39 0.55 0.00 -2.10 0.00 0.00 70.33 69.69 1sgh n THR 11 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1sgh h MET 12 N 0.00 0.01 0.00 -0.78 2.86 -1.90 -3.36 114.93 111.77 1sgh h MET 12 Ca -0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1sgh h MET 12 Cb 0.81 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1sgh h MET 12 CO 0.41 0.12 -0.36 -0.40 1.06 0.00 0.00 176.91 177.74 1sgh n ASP 13 N -4.41 1.75 -4.91 1.22 5.75 -1.26 -4.98 116.55 109.71 1sgh n ASP 13 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.47 1sgh n ASP 13 Cb 0.18 0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 1sgh n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgh s ALA 14 N -1.36 3.76 -0.33 2.12 0.00 -1.26 -5.09 121.76 119.61 1sgh s ALA 14 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1sgh s ALA 14 Cb 0.00 -2.11 0.10 0.00 0.00 0.00 0.00 23.12 21.11 1sgh s ALA 14 CO 0.00 0.42 0.07 -2.00 0.00 0.00 0.00 175.76 174.26 1sgh s GLU 15 N -3.26 1.12 0.19 0.00 2.12 -1.26 0.62 118.70 118.22 1sgh s GLU 15 Ca 0.40 -1.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.15 1sgh s GLU 15 Cb -0.11 -2.63 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 1sgh s GLU 15 CO 0.28 -0.96 0.48 -0.51 -0.54 0.00 0.00 175.26 174.01 1sgh s LEU 16 N 1.23 4.21 0.24 2.70 1.43 0.55 -4.91 118.68 124.14 1sgh s LEU 16 Ca 0.10 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1sgh s LEU 16 Cb -0.18 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1sgh s LEU 16 CO -0.16 -0.02 -0.18 -1.61 0.23 0.00 0.00 176.35 174.61 1sgh s GLU 17 N -2.72 1.53 0.19 1.70 0.41 -1.26 0.33 118.70 118.88 1sgh s GLU 17 Ca 0.44 -1.67 -0.06 0.00 -0.41 0.00 0.00 54.97 53.27 1sgh s GLU 17 Cb -0.12 -1.54 0.02 0.00 -1.78 0.00 0.00 34.13 30.72 1sgh s GLU 17 CO 0.22 0.28 0.35 1.19 -0.49 0.00 0.00 175.26 176.82 1sgh n PHE 18 N -0.42 -1.52 -3.61 1.61 3.72 -0.61 -4.77 117.46 111.86 1sgh n PHE 18 Ca -0.07 -0.94 -0.11 0.00 -0.05 0.00 0.00 57.45 56.28 1sgh n PHE 18 Cb 0.60 0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 39.48 1sgh n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sgh s ALA 19 N -1.64 -1.92 0.11 4.37 0.00 -1.25 -2.39 121.76 119.04 1sgh s ALA 19 Ca 0.09 1.76 -0.25 0.00 0.00 0.00 0.00 51.96 53.56 1sgh s ALA 19 Cb -0.02 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.10 1sgh s ALA 19 CO 0.07 -0.28 0.62 0.96 0.00 0.00 0.00 175.76 177.13 1sgh s ILE 20 N -0.25 0.00 0.63 0.00 -4.36 -1.24 -4.91 121.20 111.06 1sgh s ILE 20 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 1sgh s ILE 20 Cb -0.03 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.64 1sgh s ILE 20 CO -0.02 0.00 1.03 0.00 0.24 0.00 0.00 174.94 176.20 1sgh s GLN 21 N -3.14 3.51 0.00 0.37 -2.07 -1.26 -1.14 119.66 115.94 1sgh s GLN 21 Ca -0.02 0.70 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 1sgh s GLN 21 Cb -0.01 -2.08 0.00 0.00 -1.09 0.00 0.00 33.01 29.83 1sgh s GLN 21 CO -0.08 -0.61 0.00 -2.30 -1.32 0.00 0.00 175.29 170.98 1sgh n PRO 22 N -2.77 0.00 -0.04 9.60 -0.02 -1.26 -2.98 135.00 137.53 1sgh n PRO 22 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1sgh n PRO 22 Cb 0.54 -0.94 -0.03 0.00 -0.02 0.00 0.00 33.50 33.05 1sgh n PRO 22 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sgh n ASN 23 N 0.44 0.95 -0.05 2.55 5.15 -1.26 -4.89 115.26 118.16 1sgh n ASN 23 Ca 0.00 0.15 -0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1sgh n ASN 23 Cb 0.00 -0.37 -0.00 0.00 -0.53 0.00 0.00 39.78 38.88 1sgh n ASN 23 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1sgh n THR 24 N -3.59 0.01 -4.74 -0.44 -1.04 -1.16 -4.69 114.28 98.63 1sgh n THR 24 Ca -0.17 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.51 1sgh n THR 24 Cb 0.53 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.96 1sgh n THR 24 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sgh s THR 25 N -0.02 1.25 0.00 12.58 -4.23 -1.26 -3.49 115.64 120.47 1sgh s THR 25 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1sgh s THR 25 Cb -0.01 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1sgh s THR 25 CO 0.01 0.00 0.04 0.61 -0.54 0.00 0.00 174.62 174.74 1sgh n GLY 26 N -1.22 -1.74 0.00 3.99 0.00 -0.48 -0.11 105.19 105.62 1sgh n GLY 26 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1sgh n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sgh n LYS 27 N -0.06 0.00 0.00 1.61 3.00 0.29 0.11 118.16 123.11 1sgh n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sgh n LYS 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1sgh n LYS 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1sgh n GLN 28 N -1.14 0.00 -0.05 1.64 6.02 -1.20 -0.72 117.38 121.93 1sgh n GLN 28 Ca 0.00 0.38 -0.01 0.00 -0.01 0.00 0.00 57.00 57.36 1sgh n GLN 28 Cb 0.00 -0.92 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 1sgh n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1sgh n LEU 29 N -0.80 -0.13 0.00 1.08 7.94 0.30 0.25 117.00 125.63 1sgh n LEU 29 Ca 0.00 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1sgh n LEU 29 Cb 0.00 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.82 1sgh n LEU 29 CO 0.00 -0.28 0.14 0.33 -1.11 0.00 0.00 177.39 176.47 1sgh n PHE 30 N -3.15 0.00 -0.28 1.96 7.35 0.12 0.01 117.46 123.47 1sgh n PHE 30 Ca 0.00 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 56.97 1sgh n PHE 30 Cb 0.03 -0.00 0.51 0.00 0.35 0.00 0.00 39.48 40.37 1sgh n PHE 30 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1sgh n ASP 31 N -0.80 0.29 -0.34 -2.13 8.00 0.14 -0.93 116.55 120.78 1sgh n ASP 31 Ca 0.00 1.41 0.07 0.00 0.71 0.00 0.00 54.79 56.98 1sgh n ASP 31 Cb 0.00 -0.69 0.23 0.00 -0.02 0.00 0.00 41.12 40.64 1sgh n ASP 31 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sgh h GLN 32 N 0.00 0.87 0.26 -1.24 4.20 0.41 -0.83 115.11 118.79 1sgh h GLN 32 Ca 0.73 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.38 1sgh h GLN 32 Cb 1.96 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1sgh h GLN 32 CO -0.65 0.58 -0.13 0.28 -0.67 0.00 0.00 178.83 178.24 1sgh h VAL 33 N 0.90 0.30 0.00 -0.54 2.07 -1.04 -2.81 116.25 115.11 1sgh h VAL 33 Ca 0.48 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sgh h VAL 33 Cb 0.52 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1sgh h VAL 33 CO -0.28 0.08 0.63 -0.37 0.02 0.00 0.00 177.57 177.65 1sgh h VAL 34 N -1.03 0.00 0.00 2.57 -1.51 -1.50 0.90 116.25 115.68 1sgh h VAL 34 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1sgh h VAL 34 Cb 0.40 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1sgh h VAL 34 CO 0.06 0.00 -0.00 0.50 -1.23 0.00 0.00 177.57 176.90 1sgh h LYS 35 N 0.00 -0.01 0.39 5.19 1.63 -1.12 -2.92 116.57 119.73 1sgh h LYS 35 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1sgh h LYS 35 Cb 1.26 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.86 1sgh h LYS 35 CO 0.00 0.67 -0.52 1.15 -3.45 0.00 0.00 179.45 177.30 1sgh h THR 36 N -0.99 0.01 0.00 1.00 2.02 0.10 -2.64 112.91 112.41 1sgh h THR 36 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sgh h THR 36 Cb 0.68 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1sgh h THR 36 CO 0.00 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.19 1sgh n ILE 37 N -5.55 0.00 -0.52 3.11 -5.35 -0.20 -4.81 119.36 106.04 1sgh n ILE 37 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1sgh n ILE 37 Cb 0.45 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1sgh n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sgh n GLY 38 N 0.13 0.00 3.71 3.28 0.00 -0.99 -4.90 105.19 106.42 1sgh n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sgh n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sgh s LEU 39 N 0.00 3.22 -0.28 0.99 2.96 -1.10 -4.95 118.68 119.51 1sgh s LEU 39 Ca 0.00 2.33 0.11 0.00 -0.22 0.00 0.00 54.13 56.35 1sgh s LEU 39 Cb 0.00 -4.59 0.34 0.00 0.50 0.00 0.00 46.19 42.44 1sgh s LEU 39 CO 0.00 -2.44 1.43 0.54 -1.32 0.00 0.00 176.35 174.56 1sgh n ARG 40 N -3.04 1.13 -0.63 1.98 1.74 -1.26 -4.75 116.66 111.84 1sgh n ARG 40 Ca 0.13 -1.13 -0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1sgh n ARG 40 Cb 0.50 0.42 -0.00 0.00 -1.02 0.00 0.00 32.46 32.37 1sgh n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sgh n GLU 41 N -1.29 0.00 0.07 5.56 1.02 -1.26 -5.01 120.64 119.73 1sgh n GLU 41 Ca -0.19 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1sgh n GLU 41 Cb 0.84 -0.22 0.02 0.00 -0.02 0.00 0.00 31.44 32.05 1sgh n GLU 41 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1sgh n VAL 42 N 0.05 0.11 -0.55 2.62 0.24 -1.26 -4.11 118.33 115.43 1sgh n VAL 42 Ca -0.01 0.60 -0.06 0.00 -2.04 0.00 0.00 64.34 62.83 1sgh n VAL 42 Cb 0.67 -1.60 -0.09 0.00 -1.47 0.00 0.00 33.84 31.36 1sgh n VAL 42 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1sgh n TRP 43 N -1.34 0.00 0.12 6.34 2.14 -1.26 -2.71 117.44 120.72 1sgh n TRP 43 Ca -0.00 -0.84 0.00 0.00 2.07 0.00 0.00 57.50 58.73 1sgh n TRP 43 Cb 0.56 -1.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.06 1sgh n TRP 43 CO 0.00 0.00 0.00 1.19 2.07 0.00 0.00 177.69 180.95 1sgh n PHE 44 N 2.55 -2.62 -0.95 -2.67 3.01 -1.26 -4.90 117.46 110.62 1sgh n PHE 44 Ca 0.22 0.61 -0.28 0.00 1.01 0.00 0.00 57.45 59.00 1sgh n PHE 44 Cb 0.51 1.52 0.21 0.00 -0.01 0.00 0.00 39.48 41.71 1sgh n PHE 44 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1sgh s PHE 45 N -2.00 1.83 0.11 1.38 0.40 -1.10 0.11 117.98 118.70 1sgh s PHE 45 Ca 0.00 1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 57.23 1sgh s PHE 45 Cb 0.00 -3.21 0.05 0.00 0.51 0.00 0.00 43.02 40.37 1sgh s PHE 45 CO 0.00 -3.28 0.63 0.41 0.70 0.00 0.00 175.22 173.67 1sgh n GLY 46 N -0.44 0.88 3.30 4.36 0.00 -0.83 -4.54 105.19 107.91 1sgh n GLY 46 Ca 0.04 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1sgh n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgh s LEU 47 N 0.00 2.41 0.09 0.99 1.43 -1.26 -2.95 118.68 119.39 1sgh s LEU 47 Ca 0.14 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1sgh s LEU 47 Cb -0.02 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1sgh s LEU 47 CO 0.03 0.17 -0.10 -1.58 0.23 0.00 0.00 176.35 175.10 1sgh s GLN 48 N 0.32 2.18 0.16 1.70 0.74 -0.24 -0.15 119.66 124.37 1sgh s GLN 48 Ca -0.14 -0.99 -0.21 0.00 0.05 0.00 0.00 55.36 54.07 1sgh s GLN 48 Cb -0.17 -2.33 0.06 0.00 1.10 0.00 0.00 33.01 31.67 1sgh s GLN 48 CO 0.07 0.52 0.56 1.52 -0.55 0.00 0.00 175.29 177.41 1sgh s TYR 49 N -1.18 -0.42 -0.32 1.67 1.13 0.86 0.20 117.35 119.28 1sgh s TYR 49 Ca 0.21 0.17 -0.21 0.00 -1.41 0.00 0.00 57.07 55.83 1sgh s TYR 49 Cb -0.11 0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 41.23 1sgh s TYR 49 CO 0.13 -0.84 0.65 -0.65 -2.51 0.00 0.00 175.55 172.33 1sgh s GLN 50 N -3.78 3.84 0.00 -3.49 -1.52 -1.26 -0.16 119.66 113.29 1sgh s GLN 50 Ca 0.02 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.69 1sgh s GLN 50 Cb -0.01 -3.75 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 1sgh s GLN 50 CO -0.11 -0.64 0.00 -0.40 -0.25 0.00 0.00 175.29 173.89 1sgh n ASP 51 N 5.97 -0.14 -0.07 5.90 5.68 -0.87 -0.09 116.55 132.94 1sgh n ASP 51 Ca -0.01 -0.36 -0.06 0.00 -0.50 0.00 0.00 54.79 53.86 1sgh n ASP 51 Cb 0.49 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1sgh n ASP 51 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1sgh h THR 52 N -0.59 0.41 -0.97 2.12 1.35 -1.68 -3.20 112.91 110.34 1sgh h THR 52 Ca 0.00 -1.37 0.15 0.00 -0.55 0.00 0.00 66.41 64.63 1sgh h THR 52 Cb 0.00 0.84 -0.15 0.00 -1.73 0.00 0.00 68.15 67.11 1sgh h THR 52 CO 0.00 0.14 -0.39 0.29 -0.25 0.00 0.00 175.52 175.31 1sgh n LYS 53 N -4.66 -0.24 0.00 4.72 4.76 -1.26 -4.80 118.16 116.68 1sgh n LYS 53 Ca -0.08 1.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.85 1sgh n LYS 53 Cb 0.24 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 1sgh n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sgh n GLY 54 N -1.44 -0.37 3.74 0.72 0.00 -1.26 -5.17 105.19 101.41 1sgh n GLY 54 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1sgh n GLY 54 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgh n PHE 55 N 0.00 -0.59 -3.98 1.61 3.01 -1.26 -4.93 117.46 111.32 1sgh n PHE 55 Ca 0.00 -2.29 -0.35 0.00 1.01 0.00 0.00 57.45 55.82 1sgh n PHE 55 Cb 0.00 -0.44 -0.13 0.00 -0.01 0.00 0.00 39.48 38.90 1sgh n PHE 55 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1sgh s SER 56 N -4.18 4.68 0.21 4.37 0.01 -1.26 -2.04 113.70 115.50 1sgh s SER 56 Ca 0.31 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1sgh s SER 56 Cb -0.02 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 1sgh s SER 56 CO 0.19 0.02 0.03 -0.89 0.41 0.00 0.00 173.24 173.00 1sgh s THR 57 N 1.26 0.72 -0.29 1.44 2.01 0.77 -4.86 115.64 116.70 1sgh s THR 57 Ca 0.04 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 59.87 1sgh s THR 57 Cb -0.15 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1sgh s THR 57 CO 0.01 -0.29 0.45 0.26 -0.69 0.00 0.00 174.62 174.36 1sgh s TRP 58 N -3.63 3.23 0.85 4.92 0.23 -1.24 -0.10 118.94 123.20 1sgh s TRP 58 Ca 0.29 0.38 -0.14 0.00 -2.03 0.00 0.00 56.10 54.60 1sgh s TRP 58 Cb 0.07 -2.72 -0.00 0.00 0.03 0.00 0.00 33.47 30.85 1sgh s TRP 58 CO 0.08 -0.34 0.43 -0.11 0.96 0.00 0.00 176.95 177.97 1sgh n LEU 59 N 5.51 0.11 -4.20 2.99 7.94 0.79 -4.95 117.00 125.18 1sgh n LEU 59 Ca -0.06 0.44 -0.41 0.00 -1.11 0.00 0.00 56.01 54.87 1sgh n LEU 59 Cb 0.50 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.17 1sgh n LEU 59 CO 0.40 -3.46 0.07 -0.54 -1.11 0.00 0.00 177.39 172.75 1sgh s LYS 60 N -3.20 2.68 0.28 1.96 -0.14 -1.26 -4.83 119.74 115.22 1sgh s LYS 60 Ca 0.60 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 1sgh s LYS 60 Cb -0.27 -3.96 0.66 0.00 -1.68 0.00 0.00 37.83 32.58 1sgh s LYS 60 CO 0.64 -1.20 1.64 -0.07 -0.76 0.00 0.00 175.35 175.59 1sgh h LEU 61 N 7.97 -0.09 -0.09 3.17 3.38 -1.92 0.69 115.31 128.41 1sgh h LEU 61 Ca -0.10 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sgh h LEU 61 Cb 1.04 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1sgh h LEU 61 CO 0.80 -0.17 0.00 -0.46 0.09 0.00 0.00 178.44 178.70 1sgh n ASN 62 N -5.26 0.13 -4.34 -0.43 6.94 -1.26 0.10 115.26 111.14 1sgh n ASN 62 Ca 0.20 -1.97 -0.17 0.00 -0.02 0.00 0.00 54.58 52.62 1sgh n ASN 62 Cb 0.65 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.95 1sgh n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1sgh s LYS 63 N -1.97 1.35 -0.09 -3.83 3.01 0.23 -4.97 119.74 113.47 1sgh s LYS 63 Ca 0.03 -1.68 -0.30 0.00 -1.01 0.00 0.00 55.97 53.01 1sgh s LYS 63 Cb 0.01 -0.67 -0.02 0.00 -1.01 0.00 0.00 37.83 36.14 1sgh s LYS 63 CO 0.02 -0.08 1.15 0.15 0.51 0.00 0.00 175.35 177.10 1sgh s LYS 64 N -3.85 4.36 0.41 1.68 1.02 -1.26 -2.20 119.74 119.90 1sgh s LYS 64 Ca 0.28 1.58 0.13 0.00 0.02 0.00 0.00 55.97 57.99 1sgh s LYS 64 Cb 0.05 -3.57 0.98 0.00 -0.52 0.00 0.00 37.83 34.76 1sgh s LYS 64 CO 0.09 -0.44 1.93 0.28 -0.92 0.00 0.00 175.35 176.28 1sgh h VAL 65 N 5.10 0.85 0.19 3.17 2.07 -1.83 0.79 116.25 126.58 1sgh h VAL 65 Ca -0.32 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1sgh h VAL 65 Cb 1.15 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1sgh h VAL 65 CO 0.89 0.09 -0.14 0.71 0.02 0.00 0.00 177.57 179.14 1sgh h THR 66 N 0.50 0.69 -0.90 2.57 1.35 -1.90 -1.11 112.91 114.11 1sgh h THR 66 Ca 0.36 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.45 1sgh h THR 66 Cb 0.70 0.69 -0.16 0.00 -1.73 0.00 0.00 68.15 67.66 1sgh h THR 66 CO -0.12 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 175.22 1sgh h ALA 67 N 0.45 1.09 -2.88 6.62 0.00 -1.26 -3.39 119.26 119.89 1sgh h ALA 67 Ca -0.01 0.28 -0.53 0.00 0.00 0.00 0.00 54.91 54.65 1sgh h ALA 67 Cb 0.30 0.48 0.10 0.00 0.00 0.00 0.00 17.79 18.67 1sgh h ALA 67 CO -0.00 -0.51 0.56 -0.65 0.00 0.00 0.00 179.25 178.65 1sgh s GLN 68 N -6.02 3.46 -1.34 0.00 -0.21 -0.42 -4.95 119.66 110.17 1sgh s GLN 68 Ca -0.13 2.05 -0.09 0.00 0.02 0.00 0.00 55.36 57.22 1sgh s GLN 68 Cb 0.26 -2.36 0.12 0.00 1.00 0.00 0.00 33.01 32.03 1sgh s GLN 68 CO 0.77 -0.88 2.17 -0.25 -2.12 0.00 0.00 175.29 174.98 1sgh n ASP 69 N -0.71 6.20 -4.77 5.90 8.00 -1.26 -4.92 116.55 124.99 1sgh n ASP 69 Ca 0.09 -3.05 -0.36 0.00 0.71 0.00 0.00 54.79 52.18 1sgh n ASP 69 Cb 0.46 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1sgh n ASP 69 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1sgh s VAL 70 N 0.35 3.01 -0.11 2.53 -7.23 -1.26 -2.48 120.40 115.21 1sgh s VAL 70 Ca 0.47 0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 61.03 1sgh s VAL 70 Cb 0.14 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.69 1sgh s VAL 70 CO -0.04 -0.08 2.10 -1.14 -0.31 0.00 0.00 175.10 175.62 1sgh n ARG 71 N -1.02 2.33 -1.80 4.82 0.63 0.87 -4.37 116.66 118.12 1sgh n ARG 71 Ca 0.10 0.76 -0.42 0.00 -0.92 0.00 0.00 57.85 57.37 1sgh n ARG 71 Cb 0.49 -3.08 -0.03 0.00 0.45 0.00 0.00 32.46 30.30 1sgh n ARG 71 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1sgh s LYS 72 N 5.42 3.87 0.00 -0.14 2.36 -1.26 -4.87 119.74 125.12 1sgh s LYS 72 Ca 0.96 2.23 0.00 0.00 -2.55 0.00 0.00 55.97 56.61 1sgh s LYS 72 Cb -0.42 -4.15 0.00 0.00 -1.05 0.00 0.00 37.83 32.21 1sgh s LYS 72 CO 0.40 -1.24 0.00 -0.85 1.55 0.00 0.00 175.35 175.20 1sgh n GLU 73 N 7.75 0.00 -3.64 4.03 0.28 -1.26 -5.15 120.64 122.65 1sgh n GLU 73 Ca 0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.14 1sgh n GLU 73 Cb 0.43 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.23 1sgh n GLU 73 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1sgh s SER 74 N 1.09 -0.51 1.25 -1.84 0.15 -1.26 -4.44 113.70 108.13 1sgh s SER 74 Ca 0.00 0.91 -0.21 0.00 0.70 0.00 0.00 55.95 57.36 1sgh s SER 74 Cb 0.00 1.04 0.30 0.00 -1.71 0.00 0.00 66.02 65.66 1sgh s SER 74 CO 0.00 -0.15 1.09 -0.81 1.20 0.00 0.00 173.24 174.56 1sgh n PRO 75 N 2.87 -3.15 -3.21 5.44 -0.04 -1.26 -5.10 135.00 130.56 1sgh n PRO 75 Ca -0.15 -1.74 -0.35 0.00 -0.04 0.00 0.00 63.50 61.23 1sgh n PRO 75 Cb 0.57 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1sgh n PRO 75 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sgh s LEU 76 N 0.00 4.26 -0.13 1.53 1.43 0.75 -4.95 118.68 121.56 1sgh s LEU 76 Ca 0.71 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1sgh s LEU 76 Cb -0.07 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1sgh s LEU 76 CO 0.54 -0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 176.15 1sgh s LEU 77 N -2.29 1.99 -0.02 1.79 1.43 -1.26 -1.80 118.68 118.51 1sgh s LEU 77 Ca 0.45 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1sgh s LEU 77 Cb -0.14 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1sgh s LEU 77 CO 0.20 0.06 -0.14 -0.36 0.23 0.00 0.00 176.35 176.33 1sgh s PHE 78 N 0.88 1.34 0.13 0.29 0.40 -1.14 -4.36 117.98 115.52 1sgh s PHE 78 Ca -0.07 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1sgh s PHE 78 Cb -0.15 -0.89 -0.06 0.00 0.51 0.00 0.00 43.02 42.42 1sgh s PHE 78 CO -0.02 -0.08 0.42 0.15 0.70 0.00 0.00 175.22 176.39 1sgh s LYS 79 N -0.10 3.72 -0.61 0.44 1.02 0.13 -1.00 119.74 123.33 1sgh s LYS 79 Ca 0.01 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1sgh s LYS 79 Cb -0.08 -2.87 0.15 0.00 -0.52 0.00 0.00 37.83 34.51 1sgh s LYS 79 CO 0.00 0.48 0.40 0.12 -0.92 0.00 0.00 175.35 175.43 1sgh s PHE 80 N -1.58 3.37 -0.08 3.18 5.36 -0.41 -1.07 117.98 126.75 1sgh s PHE 80 Ca 0.39 -3.03 0.04 0.00 -0.96 0.00 0.00 56.93 53.36 1sgh s PHE 80 Cb -0.13 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1sgh s PHE 80 CO 0.21 -0.75 -0.19 1.03 -1.46 0.00 0.00 175.22 174.06 1sgh s ARG 81 N -0.47 2.81 0.18 10.12 0.52 -1.15 -4.50 118.95 126.46 1sgh s ARG 81 Ca 0.19 -0.80 -0.32 0.00 -0.52 0.00 0.00 55.73 54.29 1sgh s ARG 81 Cb -0.20 -2.35 -0.11 0.00 0.52 0.00 0.00 34.95 32.81 1sgh s ARG 81 CO -0.04 0.37 1.77 0.00 0.02 0.00 0.00 175.30 177.42 1sgh s ALA 82 N -0.11 3.88 -0.15 2.13 0.00 -1.26 -1.96 121.76 124.29 1sgh s ALA 82 Ca -0.04 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1sgh s ALA 82 Cb -0.14 -3.72 -0.14 0.00 0.00 0.00 0.00 23.12 19.11 1sgh s ALA 82 CO 0.04 -1.04 0.29 -0.22 0.00 0.00 0.00 175.76 174.83 1sgh h LYS 83 N 7.49 0.00 -6.14 0.00 3.64 0.48 -3.46 116.57 118.58 1sgh h LYS 83 Ca -0.44 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.29 1sgh h LYS 83 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1sgh h LYS 83 CO 0.96 0.59 -0.60 -0.06 -2.27 0.00 0.00 179.45 178.06 1sgh s PHE 84 N -2.09 3.19 0.20 1.91 0.40 -1.15 -5.04 117.98 115.40 1sgh s PHE 84 Ca -0.16 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.33 1sgh s PHE 84 Cb 0.01 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1sgh s PHE 84 CO 0.42 0.52 0.25 0.71 0.70 0.00 0.00 175.22 177.82 1sgh s TYR 85 N -1.28 3.32 0.09 0.36 1.51 -1.26 -4.78 117.35 115.31 1sgh s TYR 85 Ca 0.26 -0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 56.09 1sgh s TYR 85 Cb -0.12 -1.54 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1sgh s TYR 85 CO 0.18 0.50 0.69 -1.25 -1.11 0.00 0.00 175.55 174.55 1sgh s PRO 86 N -3.55 4.42 0.31 -1.71 0.04 -1.26 -4.68 135.00 128.56 1sgh s PRO 86 Ca 0.33 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1sgh s PRO 86 Cb -0.10 -3.29 0.70 0.00 0.04 0.00 0.00 34.50 31.86 1sgh s PRO 86 CO 0.27 0.51 1.82 0.93 0.04 0.00 0.00 177.00 180.56 1sgh h GLU 87 N 4.84 0.80 -2.22 4.56 5.08 -1.99 -3.34 114.58 122.31 1sgh h GLU 87 Ca -0.47 -0.05 -0.46 0.00 -1.00 0.00 0.00 59.36 57.38 1sgh h GLU 87 Cb 1.21 -0.18 -0.34 0.00 0.50 0.00 0.00 28.75 29.93 1sgh h GLU 87 CO 0.67 0.53 -0.76 0.34 -1.00 0.00 0.00 179.01 178.79 1sgh s ASP 88 N -5.58 1.94 0.12 1.42 3.68 -1.26 -5.04 116.67 111.95 1sgh s ASP 88 Ca -0.11 -1.82 -0.23 0.00 2.13 0.00 0.00 52.55 52.52 1sgh s ASP 88 Cb 0.23 0.15 -0.05 0.00 -1.45 0.00 0.00 42.92 41.81 1sgh s ASP 88 CO 0.80 -0.28 1.38 1.33 0.13 0.00 0.00 175.17 178.53 1sgh n VAL 89 N 4.18 -0.50 -0.16 1.11 0.24 -1.25 -1.75 118.33 120.19 1sgh n VAL 89 Ca 0.11 2.16 -0.02 0.00 -2.04 0.00 0.00 64.34 64.55 1sgh n VAL 89 Cb 0.42 -2.70 -0.00 0.00 -1.47 0.00 0.00 33.84 30.08 1sgh n VAL 89 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1sgh n SER 90 N -4.65 -0.32 -0.08 -1.34 2.88 -1.26 -0.78 113.62 108.07 1sgh n SER 90 Ca 0.01 0.72 0.12 0.00 -1.33 0.00 0.00 58.87 58.39 1sgh n SER 90 Cb 0.19 -0.14 0.21 0.00 -0.75 0.00 0.00 64.21 63.71 1sgh n SER 90 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1sgh n GLU 91 N -4.58 0.24 -0.03 -1.46 0.28 -0.72 -4.35 120.64 110.03 1sgh n GLU 91 Ca 0.03 -0.16 0.01 0.00 -0.16 0.00 0.00 57.16 56.88 1sgh n GLU 91 Cb 0.15 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.42 1sgh n GLU 91 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sgh n GLU 92 N -1.24 1.18 -3.41 3.44 1.02 0.04 -4.99 120.64 116.67 1sgh n GLU 92 Ca 0.07 -0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1sgh n GLU 92 Cb 0.34 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1sgh n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sgh s LEU 93 N -4.38 4.49 0.00 -4.62 1.43 -0.37 -5.00 118.68 110.23 1sgh s LEU 93 Ca -0.05 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1sgh s LEU 93 Cb 0.06 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1sgh s LEU 93 CO 0.52 0.30 0.00 -0.38 0.23 0.00 0.00 176.35 177.02 1sgh n ILE 94 N 1.85 0.00 -3.70 -0.59 5.41 -1.26 -4.88 119.36 116.19 1sgh n ILE 94 Ca -0.12 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.26 1sgh n ILE 94 Cb 0.52 0.03 -0.07 0.00 -0.71 0.00 0.00 39.64 39.41 1sgh n ILE 94 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1sgh s GLN 95 N -0.17 3.93 0.04 0.38 -0.21 -1.26 -4.89 119.66 117.49 1sgh s GLN 95 Ca 0.00 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.37 1sgh s GLN 95 Cb 0.00 -3.32 0.04 0.00 1.00 0.00 0.00 33.01 30.73 1sgh s GLN 95 CO 0.00 0.49 0.67 -0.25 -2.12 0.00 0.00 175.29 174.08 1sgh n ASP 96 N 2.81 0.02 -0.08 5.90 8.00 -1.26 0.35 116.55 132.29 1sgh n ASP 96 Ca -0.16 0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1sgh n ASP 96 Cb 0.53 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1sgh n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgh n ILE 97 N -1.23 1.00 -0.29 0.53 3.06 -1.26 -3.86 119.36 117.31 1sgh n ILE 97 Ca -0.00 -0.19 0.12 0.00 -2.50 0.00 0.00 62.75 60.17 1sgh n ILE 97 Cb 0.40 -1.77 0.27 0.00 0.54 0.00 0.00 39.64 39.08 1sgh n ILE 97 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1sgh h THR 98 N -0.62 0.32 0.07 9.51 2.02 -0.48 0.56 112.91 124.29 1sgh h THR 98 Ca -0.40 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1sgh h THR 98 Cb 1.31 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1sgh h THR 98 CO -0.24 0.04 -0.03 1.56 0.37 0.00 0.00 175.52 177.21 1sgh h GLN 99 N 0.20 -0.09 0.00 6.66 4.20 -1.62 -1.32 115.11 123.14 1sgh h GLN 99 Ca 0.53 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1sgh h GLN 99 Cb 1.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1sgh h GLN 99 CO -0.66 0.31 0.05 -0.09 -0.67 0.00 0.00 178.83 177.78 1sgh h ARG 100 N -0.51 0.00 0.13 1.46 2.43 -1.21 -0.14 114.38 116.54 1sgh h ARG 100 Ca -0.01 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.88 1sgh h ARG 100 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1sgh h ARG 100 CO 0.02 0.00 -1.31 -0.07 -1.51 0.00 0.00 179.97 177.10 1sgh h LEU 101 N 0.00 0.42 0.08 3.80 3.38 0.12 -3.25 115.31 119.85 1sgh h LEU 101 Ca 0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1sgh h LEU 101 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sgh h LEU 101 CO 0.00 1.37 -0.04 -0.26 0.09 0.00 0.00 178.44 179.61 1sgh h PHE 102 N 0.07 -0.10 -0.72 1.13 -1.00 -0.44 -3.24 116.94 112.64 1sgh h PHE 102 Ca -0.16 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.74 1sgh h PHE 102 Cb 1.98 0.03 -0.12 0.00 3.61 0.00 0.00 35.95 41.45 1sgh h PHE 102 CO 0.06 0.37 -0.26 0.34 -1.61 0.00 0.00 178.31 177.22 1sgh n PHE 103 N -4.80 0.08 0.09 -0.55 -0.00 -0.50 0.54 117.46 112.32 1sgh n PHE 103 Ca -0.06 0.89 -0.13 0.00 -0.00 0.00 0.00 57.45 58.15 1sgh n PHE 103 Cb 0.25 -0.81 -0.08 0.00 -0.00 0.00 0.00 39.48 38.85 1sgh n PHE 103 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1sgh h LEU 104 N 0.00 -0.12 0.24 -2.13 3.38 -1.68 0.33 115.31 115.33 1sgh h LEU 104 Ca 0.28 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1sgh h LEU 104 Cb 0.46 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1sgh h LEU 104 CO -0.72 -0.04 -0.34 -0.61 0.09 0.00 0.00 178.44 176.81 1sgh h GLN 105 N -0.19 -0.63 0.03 1.13 4.15 0.07 0.70 115.11 120.38 1sgh h GLN 105 Ca -0.01 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1sgh h GLN 105 Cb 0.15 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1sgh h GLN 105 CO 0.02 -0.42 -0.10 0.28 -1.93 0.00 0.00 178.83 176.68 1sgh h VAL 106 N -0.65 0.00 -0.13 2.39 2.07 0.06 -2.13 116.25 117.87 1sgh h VAL 106 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sgh h VAL 106 Cb 0.63 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1sgh h VAL 106 CO -0.12 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.82 1sgh h LYS 107 N -0.15 -0.09 -0.79 1.57 3.64 -0.29 0.31 116.57 120.77 1sgh h LYS 107 Ca -0.00 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 1sgh h LYS 107 Cb 0.15 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.85 1sgh h LYS 107 CO -0.05 -0.06 0.34 -1.91 -2.27 0.00 0.00 179.45 175.50 1sgh n GLU 108 N -3.42 -0.05 -0.13 1.90 2.13 0.23 0.22 120.64 121.52 1sgh n GLU 108 Ca -0.01 1.11 -0.06 0.00 0.66 0.00 0.00 57.16 58.86 1sgh n GLU 108 Cb 0.09 -1.94 0.12 0.00 0.27 0.00 0.00 31.44 29.98 1sgh n GLU 108 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1sgh h GLY 109 N 0.00 0.93 1.17 8.31 0.00 0.28 -2.96 103.07 110.80 1sgh h GLY 109 Ca 0.63 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1sgh h GLY 109 CO -0.64 0.60 -0.47 -2.22 0.00 0.00 0.00 176.54 173.82 1sgh h ILE 110 N 0.80 1.27 0.00 2.60 2.04 0.36 -2.83 117.51 121.75 1sgh h ILE 110 Ca 0.15 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1sgh h ILE 110 Cb 0.50 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1sgh h ILE 110 CO 0.03 0.54 0.00 0.18 0.00 0.00 0.00 178.15 178.90 1sgh n LEU 111 N -4.03 0.36 0.00 1.44 4.77 -0.50 0.22 117.00 119.26 1sgh n LEU 111 Ca -0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1sgh n LEU 111 Cb 0.59 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1sgh n LEU 111 CO 0.49 0.07 0.14 0.59 -1.33 0.00 0.00 177.39 177.36 1sgh n ASN 112 N 0.63 0.00 -1.62 -1.43 5.03 -1.09 -4.88 115.26 111.91 1sgh n ASN 112 Ca 0.00 -1.00 -0.17 0.00 0.87 0.00 0.00 54.58 54.28 1sgh n ASN 112 Cb 0.07 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 1sgh n ASN 112 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1sgh n ASP 113 N 0.00 -4.54 0.00 6.41 -0.08 0.13 -4.73 116.55 113.74 1sgh n ASP 113 Ca 0.00 0.37 0.14 0.00 -1.51 0.00 0.00 54.79 53.79 1sgh n ASP 113 Cb 0.43 -4.06 0.78 0.00 2.34 0.00 0.00 41.12 40.61 1sgh n ASP 113 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1sgh n ASP 114 N -1.07 0.00 -3.47 1.67 8.00 -1.09 -4.19 116.55 116.41 1sgh n ASP 114 Ca -0.17 -0.57 -0.21 0.00 0.71 0.00 0.00 54.79 54.55 1sgh n ASP 114 Cb 0.57 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.43 1sgh n ASP 114 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sgh s ILE 115 N -2.23 -0.29 0.42 0.53 1.01 -1.26 -4.96 121.20 114.43 1sgh s ILE 115 Ca 0.36 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 1sgh s ILE 115 Cb 0.19 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.66 1sgh s ILE 115 CO 0.37 -0.46 0.85 0.00 0.00 0.00 0.00 174.94 175.70 1sgh n TYR 116 N 5.30 0.61 -3.24 3.97 9.36 -1.26 -4.83 117.16 127.06 1sgh n TYR 116 Ca -0.04 0.58 -0.03 0.00 3.32 0.00 0.00 57.90 61.73 1sgh n TYR 116 Cb 0.46 -2.15 -0.04 0.00 -0.63 0.00 0.00 39.34 36.99 1sgh n TYR 116 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sgh n PRO 118 N 5.39 1.99 -0.37 0.00 -0.04 -1.26 -4.53 135.00 136.19 1sgh n PRO 118 Ca -0.01 0.71 -0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1sgh n PRO 118 Cb 0.51 -2.31 0.05 0.00 -0.04 0.00 0.00 33.50 31.71 1sgh n PRO 118 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1sgh n PRO 119 N 1.45 -0.21 -0.06 0.54 -0.02 -1.26 0.91 135.00 136.35 1sgh n PRO 119 Ca 0.09 1.51 -0.08 0.00 -2.02 0.00 0.00 63.50 63.00 1sgh n PRO 119 Cb 0.33 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1sgh n PRO 119 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1sgh h GLU 120 N 0.00 -0.25 0.00 -0.52 9.09 -2.02 0.13 114.58 121.01 1sgh h GLU 120 Ca 0.36 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1sgh h GLU 120 Cb 0.60 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1sgh h GLU 120 CO -0.97 -0.17 0.00 2.41 0.05 0.00 0.00 179.01 180.33 1sgh n THR 121 N -5.39 0.67 -0.04 -1.06 -1.04 -0.11 -2.98 114.28 104.33 1sgh n THR 121 Ca -0.00 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.05 61.84 1sgh n THR 121 Cb 0.31 -0.76 0.22 0.00 -1.82 0.00 0.00 70.33 68.28 1sgh n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sgh h ALA 122 N 2.44 1.19 0.00 2.41 0.00 0.33 -3.18 119.26 122.46 1sgh h ALA 122 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sgh h ALA 122 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sgh h ALA 122 CO 0.00 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1sgh h VAL 123 N 0.57 0.88 -0.85 0.00 2.07 -1.32 -3.15 116.25 114.44 1sgh h VAL 123 Ca 0.11 -1.65 0.32 0.00 0.82 0.00 0.00 66.70 66.30 1sgh h VAL 123 Cb 0.48 1.66 -0.16 0.00 -1.52 0.00 0.00 31.29 31.75 1sgh h VAL 123 CO 0.03 0.30 0.33 -0.11 0.02 0.00 0.00 177.57 178.13 1sgh n LEU 124 N -4.70 0.18 0.00 2.57 7.94 -1.22 0.25 117.00 122.01 1sgh n LEU 124 Ca -0.05 1.43 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1sgh n LEU 124 Cb 0.24 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1sgh n LEU 124 CO 0.17 -1.55 0.34 0.18 -1.11 0.00 0.00 177.39 175.42 1sgh n LEU 125 N -5.02 0.09 -0.46 -1.96 4.77 -1.20 -2.00 117.00 111.22 1sgh n LEU 125 Ca 0.29 0.69 0.38 0.00 -0.03 0.00 0.00 56.01 57.34 1sgh n LEU 125 Cb 0.97 -0.22 0.68 0.00 -2.33 0.00 0.00 43.42 42.52 1sgh n LEU 125 CO -0.01 -0.22 1.29 0.00 -1.33 0.00 0.00 177.39 177.12 1sgh h ALA 126 N -2.00 2.92 -0.41 -1.18 0.00 -0.48 5.11 119.26 123.23 1sgh h ALA 126 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1sgh h ALA 126 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sgh h ALA 126 CO 0.00 -1.47 0.28 1.03 0.00 0.00 0.00 179.25 179.09 1sgh h SER 127 N 0.10 0.13 0.31 0.00 0.87 0.36 -0.75 113.55 114.57 1sgh h SER 127 Ca 0.78 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 61.01 1sgh h SER 127 Cb 2.60 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 64.50 1sgh h SER 127 CO -0.27 0.08 -1.87 -1.22 -0.53 0.00 0.00 176.83 173.01 1sgh n TYR 128 N -4.45 1.03 0.03 2.24 4.02 1.59 -2.85 117.16 118.78 1sgh n TYR 128 Ca 0.06 0.30 0.02 0.00 -0.01 0.00 0.00 57.90 58.27 1sgh n TYR 128 Cb 0.38 -1.16 0.11 0.00 -0.02 0.00 0.00 39.34 38.65 1sgh n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sgh n ALA 129 N -2.76 1.00 -0.03 -0.72 0.00 0.31 -2.31 120.51 116.00 1sgh n ALA 129 Ca -0.24 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 1sgh n ALA 129 Cb 1.05 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1sgh n ALA 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sgh n VAL 130 N -1.64 0.35 -0.25 0.00 0.31 -0.78 -4.37 118.33 111.95 1sgh n VAL 130 Ca -0.00 -0.12 0.23 0.00 -0.01 0.00 0.00 64.34 64.44 1sgh n VAL 130 Cb 0.01 -1.02 0.41 0.00 -0.91 0.00 0.00 33.84 32.34 1sgh n VAL 130 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sgh n GLN 131 N -2.89 -0.04 -0.05 5.55 -0.06 -0.98 -0.30 117.38 118.61 1sgh n GLN 131 Ca -0.11 0.90 -0.02 0.00 -2.00 0.00 0.00 57.00 55.76 1sgh n GLN 131 Cb 0.60 -1.66 -0.02 0.00 -4.06 0.00 0.00 30.24 25.11 1sgh n GLN 131 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1sgh h SER 132 N 0.00 0.00 -1.18 1.69 4.64 -1.77 -2.17 113.55 114.77 1sgh h SER 132 Ca 0.58 -0.10 0.34 0.00 -0.47 0.00 0.00 61.79 62.13 1sgh h SER 132 Cb 1.64 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.63 1sgh h SER 132 CO -0.45 0.59 0.78 0.50 -0.87 0.00 0.00 176.83 177.37 1sgh h LYS 133 N -1.00 0.22 -0.12 4.77 3.64 -0.86 0.33 116.57 123.55 1sgh h LYS 133 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sgh h LYS 133 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1sgh h LYS 133 CO -0.00 0.14 0.00 0.66 -2.27 0.00 0.00 179.45 177.98 1sgh n TYR 134 N -4.56 0.16 -1.01 1.91 4.02 -0.67 -5.07 117.16 111.94 1sgh n TYR 134 Ca 0.30 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1sgh n TYR 134 Cb 1.14 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.44 1sgh n TYR 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sgh n GLY 135 N 0.07 3.20 3.85 2.72 0.00 0.12 -4.49 105.19 110.66 1sgh n GLY 135 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1sgh n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgh s ASP 136 N -4.00 6.03 0.65 1.61 1.01 -1.26 -4.46 116.67 116.25 1sgh s ASP 136 Ca 0.00 1.51 -0.11 0.00 0.71 0.00 0.00 52.55 54.66 1sgh s ASP 136 Cb 0.00 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 1sgh s ASP 136 CO 0.00 -1.00 1.04 0.12 0.21 0.00 0.00 175.17 175.54 1sgh s PHE 137 N -3.04 3.36 -0.11 4.23 5.36 -1.26 -5.05 117.98 121.48 1sgh s PHE 137 Ca 0.57 1.36 -0.03 0.00 -0.96 0.00 0.00 56.93 57.87 1sgh s PHE 137 Cb -0.12 -2.81 0.05 0.00 -0.34 0.00 0.00 43.02 39.80 1sgh s PHE 137 CO 0.51 -0.95 0.12 1.21 -1.46 0.00 0.00 175.22 174.64 1sgh s ASN 138 N -3.92 1.36 0.50 6.13 3.84 -1.26 -4.97 114.94 116.61 1sgh s ASN 138 Ca 0.57 -0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.84 1sgh s ASN 138 Cb -0.13 0.02 1.28 0.00 -0.55 0.00 0.00 41.25 41.87 1sgh s ASN 138 CO 0.53 -0.28 1.99 0.07 -2.79 0.00 0.00 177.10 176.62 1sgh h LYS 139 N 8.40 0.00 0.14 0.43 2.10 -1.98 2.25 116.57 127.91 1sgh h LYS 139 Ca -0.14 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.18 1sgh h LYS 139 Cb 1.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1sgh h LYS 139 CO 0.20 0.16 -1.74 0.93 -2.00 0.00 0.00 179.45 177.00 1sgh h GLU 140 N 0.00 0.30 0.00 0.07 4.39 -1.99 -3.36 114.58 113.99 1sgh h GLU 140 Ca -0.00 -0.51 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 1sgh h GLU 140 Cb 0.47 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1sgh h GLU 140 CO 0.02 1.24 -0.75 0.28 -1.16 0.00 0.00 179.01 178.65 1sgh h VAL 141 N -0.05 0.67 -0.89 3.13 2.07 -1.88 -3.40 116.25 115.89 1sgh h VAL 141 Ca -0.36 -1.74 -0.73 0.00 0.82 0.00 0.00 66.70 64.69 1sgh h VAL 141 Cb 1.96 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 33.14 1sgh h VAL 141 CO 0.10 0.23 2.68 1.41 0.02 0.00 0.00 177.57 182.01 1sgh n HIS 142 N -4.54 2.68 -0.60 1.57 8.25 0.76 -4.92 115.22 118.41 1sgh n HIS 142 Ca -0.19 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.39 1sgh n HIS 142 Cb 0.47 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.54 1sgh n HIS 142 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1sgh n LYS 143 N 2.80 -0.37 -1.88 -0.41 4.76 -1.24 -4.56 118.16 117.24 1sgh n LYS 143 Ca 0.61 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.69 1sgh n LYS 143 Cb 0.27 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.51 1sgh n LYS 143 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1sgh s SER 144 N -1.30 4.99 0.00 4.39 0.15 -1.26 -2.86 113.70 117.81 1sgh s SER 144 Ca 0.00 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.01 1sgh s SER 144 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1sgh s SER 144 CO 0.00 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.33 1sgh n GLY 145 N 0.41 2.93 0.50 9.45 0.00 -1.26 -4.86 105.19 112.35 1sgh n GLY 145 Ca 0.13 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.53 1sgh n GLY 145 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1sgh h TYR 146 N 0.00 0.43 -0.41 1.61 -0.00 -1.87 1.23 116.97 117.97 1sgh h TYR 146 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1sgh h TYR 146 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 36.73 36.62 1sgh h TYR 146 CO 0.00 -0.15 0.00 1.28 -0.00 0.00 0.00 178.16 179.29 1sgh n LEU 147 N -4.56 4.66 0.08 0.10 4.77 -1.26 -4.48 117.00 116.30 1sgh n LEU 147 Ca 0.36 -2.92 0.05 0.00 -0.03 0.00 0.00 56.01 53.48 1sgh n LEU 147 Cb 1.45 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 1sgh n LEU 147 CO 0.25 0.67 -0.03 0.00 -1.33 0.00 0.00 177.39 176.95 1sgh h ALA 148 N 2.83 0.62 -0.44 -1.18 0.00 0.12 -3.31 119.26 117.90 1sgh h ALA 148 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sgh h ALA 148 Cb 1.64 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1sgh h ALA 148 CO 0.32 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1sgh n GLY 149 N 1.28 2.57 3.55 0.00 0.00 -1.26 -4.88 105.19 106.45 1sgh n GLY 149 Ca -0.04 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1sgh n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgh s ASP 150 N -0.60 3.46 -0.06 1.61 -0.00 -1.25 -5.14 116.67 114.69 1sgh s ASP 150 Ca 0.41 -1.31 0.05 0.00 -0.00 0.00 0.00 52.55 51.70 1sgh s ASP 150 Cb 0.31 -0.31 -0.02 0.00 -0.00 0.00 0.00 42.92 42.90 1sgh s ASP 150 CO 0.13 -0.40 -0.20 -0.75 -0.00 0.00 0.00 175.17 173.94 1sgh s LYS 151 N -3.72 2.61 0.00 8.23 2.20 -1.26 -5.02 119.74 122.79 1sgh s LYS 151 Ca 0.34 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1sgh s LYS 151 Cb 0.07 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1sgh s LYS 151 CO 0.16 0.44 0.00 1.28 -0.36 0.00 0.00 175.35 176.88 1sgh n LEU 152 N 2.80 0.00 -4.11 5.43 4.32 -1.26 -5.12 117.00 119.06 1sgh n LEU 152 Ca -0.17 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.66 1sgh n LEU 152 Cb 0.52 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.20 1sgh n LEU 152 CO 0.26 0.00 -0.43 -0.76 -1.22 0.00 0.00 177.39 175.24 1sgh s LEU 153 N 0.00 2.25 -0.21 2.23 1.43 -1.26 -4.67 118.68 118.46 1sgh s LEU 153 Ca 0.00 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1sgh s LEU 153 Cb 0.00 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 1sgh s LEU 153 CO 0.00 -0.13 1.24 -2.16 0.23 0.00 0.00 176.35 175.52 1sgh s PRO 154 N -1.59 4.16 0.10 1.29 0.05 -1.26 -4.85 135.00 132.90 1sgh s PRO 154 Ca -0.06 1.51 0.02 0.00 0.05 0.00 0.00 61.00 62.52 1sgh s PRO 154 Cb -0.10 -3.77 0.28 0.00 0.05 0.00 0.00 34.50 30.96 1sgh s PRO 154 CO 0.01 -0.79 0.51 0.94 0.05 0.00 0.00 177.00 177.71 1sgh n GLN 155 N 6.74 -0.02 0.07 4.56 -0.06 -1.26 0.27 117.38 127.67 1sgh n GLN 155 Ca 0.14 0.48 -0.16 0.00 -2.00 0.00 0.00 57.00 55.45 1sgh n GLN 155 Cb 0.45 -0.78 -0.10 0.00 -4.06 0.00 0.00 30.24 25.76 1sgh n GLN 155 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1sgh h ARG 156 N 0.00 -0.67 -0.82 3.69 2.43 -1.98 -1.78 114.38 115.25 1sgh h ARG 156 Ca 0.21 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.56 1sgh h ARG 156 Cb 0.47 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.08 1sgh h ARG 156 CO -0.29 -0.45 0.42 0.28 -1.51 0.00 0.00 179.97 178.42 1sgh h VAL 157 N -0.70 0.75 -0.04 0.20 2.07 0.34 -2.57 116.25 116.31 1sgh h VAL 157 Ca 0.01 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1sgh h VAL 157 Cb 0.73 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1sgh h VAL 157 CO -0.34 0.11 -0.32 -0.07 0.02 0.00 0.00 177.57 176.97 1sgh h LEU 158 N 0.62 -1.01 0.00 2.57 3.38 -1.13 -2.04 115.31 117.70 1sgh h LEU 158 Ca 0.44 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1sgh h LEU 158 Cb 0.59 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1sgh h LEU 158 CO -0.35 -0.30 0.00 -0.62 0.09 0.00 0.00 178.44 177.26 1sgh n GLU 159 N -4.26 0.11 0.00 1.13 1.02 -0.82 -1.28 120.64 116.54 1sgh n GLU 159 Ca -0.04 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1sgh n GLU 159 Cb 0.23 -1.29 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 1sgh n GLU 159 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sgh n GLN 160 N -0.79 0.51 -4.02 3.49 1.13 -0.77 -4.90 117.38 112.03 1sgh n GLN 160 Ca 0.02 -0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 54.65 1sgh n GLN 160 Cb 0.01 -1.46 -0.16 0.00 0.11 0.00 0.00 30.24 28.74 1sgh n GLN 160 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1sgh s HIS 161 N -2.80 0.44 -1.09 1.08 3.76 -0.40 -5.05 115.29 111.24 1sgh s HIS 161 Ca 0.10 -0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.79 1sgh s HIS 161 Cb 0.16 -0.45 -0.07 0.00 1.11 0.00 0.00 32.58 33.32 1sgh s HIS 161 CO 0.77 -0.13 2.16 1.63 -0.85 0.00 0.00 174.74 178.32 1sgh n LYS 162 N 3.93 2.24 -4.85 1.40 5.02 -1.26 -4.82 118.16 119.82 1sgh n LYS 162 Ca -0.25 -2.03 -0.26 0.00 -2.02 0.00 0.00 58.31 53.75 1sgh n LYS 162 Cb 0.52 -2.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.44 1sgh n LYS 162 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sgh s LEU 163 N 1.15 1.92 0.57 -0.35 1.43 -1.26 -5.10 118.68 117.04 1sgh s LEU 163 Ca 0.52 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 1sgh s LEU 163 Cb 0.14 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1sgh s LEU 163 CO 0.01 0.15 1.03 0.54 0.23 0.00 0.00 176.35 178.31 1sgh s ASN 164 N 0.04 6.08 0.13 2.29 2.20 -1.26 -4.82 114.94 119.60 1sgh s ASN 164 Ca -0.04 1.69 -0.15 0.00 -0.94 0.00 0.00 52.86 53.42 1sgh s ASN 164 Cb -0.12 -2.52 0.06 0.00 -2.00 0.00 0.00 41.25 36.68 1sgh s ASN 164 CO 0.02 -0.96 1.00 1.17 -2.94 0.00 0.00 177.10 175.39 1sgh n LYS 165 N -1.99 -0.21 0.01 3.55 4.81 -1.26 0.35 118.16 123.42 1sgh n LYS 165 Ca 0.08 0.99 -0.02 0.00 -0.87 0.00 0.00 58.31 58.48 1sgh n LYS 165 Cb 0.53 -1.46 0.23 0.00 0.02 0.00 0.00 35.03 34.36 1sgh n LYS 165 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1sgh h ASP 166 N 0.00 0.48 -0.41 3.14 3.32 -1.97 0.24 116.42 121.22 1sgh h ASP 166 Ca 0.17 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1sgh h ASP 166 Cb 0.33 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 1sgh h ASP 166 CO -0.63 0.68 -0.22 1.56 -1.72 0.00 0.00 179.24 178.92 1sgh h GLN 167 N 0.44 -0.14 0.35 3.56 4.20 -0.45 2.57 115.11 125.65 1sgh h GLN 167 Ca 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1sgh h GLN 167 Cb 0.57 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1sgh h GLN 167 CO 0.04 -0.09 -0.17 -1.49 -0.67 0.00 0.00 178.83 176.45 1sgh h TRP 168 N -0.14 -0.44 0.29 2.96 -0.00 -1.12 -0.02 115.95 117.48 1sgh h TRP 168 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 1sgh h TRP 168 Cb 0.45 0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.72 1sgh h TRP 168 CO -0.46 -0.25 -0.52 1.49 -0.00 0.00 0.00 178.44 178.70 1sgh h GLU 169 N -0.50 -0.84 -0.98 0.49 4.81 -0.09 0.15 114.58 117.62 1sgh h GLU 169 Ca -0.05 0.06 0.41 0.00 -0.13 0.00 0.00 59.36 59.65 1sgh h GLU 169 Cb 0.38 0.19 -0.17 0.00 0.63 0.00 0.00 28.75 29.78 1sgh h GLU 169 CO 0.08 -0.56 0.53 0.39 -0.73 0.00 0.00 179.01 178.73 1sgh n GLU 170 N -5.50 -0.06 0.13 1.92 1.02 0.86 0.25 120.64 119.27 1sgh n GLU 170 Ca -0.10 1.34 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 1sgh n GLU 170 Cb 0.44 -2.42 0.07 0.00 -0.02 0.00 0.00 31.44 29.51 1sgh n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sgh h ARG 171 N 0.00 0.00 -0.00 3.49 3.08 0.11 -3.32 114.38 117.73 1sgh h ARG 171 Ca 0.83 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.84 1sgh h ARG 171 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.26 1sgh h ARG 171 CO -0.74 0.62 -0.16 0.82 -1.07 0.00 0.00 179.97 179.43 1sgh h ILE 172 N 0.00 1.58 -0.59 2.04 2.04 0.60 -3.31 117.51 119.87 1sgh h ILE 172 Ca -0.01 -1.93 0.07 0.00 1.00 0.00 0.00 64.86 64.00 1sgh h ILE 172 Cb 1.35 2.82 -0.08 0.00 -0.74 0.00 0.00 36.82 40.17 1sgh h ILE 172 CO 0.08 0.52 -0.29 1.67 0.00 0.00 0.00 178.15 180.13 1sgh n GLN 173 N -4.57 -0.20 -0.30 2.37 0.00 -0.51 0.67 117.38 114.83 1sgh n GLN 173 Ca -0.10 0.89 0.12 0.00 -0.00 0.00 0.00 57.00 57.91 1sgh n GLN 173 Cb 0.47 -1.32 0.26 0.00 0.00 0.00 0.00 30.24 29.64 1sgh n GLN 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sgh h VAL 174 N 0.00 0.24 0.00 1.69 2.07 -1.68 0.19 116.25 118.76 1sgh h VAL 174 Ca 0.14 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1sgh h VAL 174 Cb 0.29 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1sgh h VAL 174 CO -0.57 0.02 -0.59 -0.50 0.02 0.00 0.00 177.57 175.95 1sgh h TRP 175 N 0.12 0.00 -0.33 1.57 4.06 0.10 -3.20 115.95 118.26 1sgh h TRP 175 Ca 0.53 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.38 1sgh h TRP 175 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1sgh h TRP 175 CO -0.37 0.31 -0.21 1.25 -3.56 0.00 0.00 178.44 175.86 1sgh h HIS 176 N 0.00 0.85 -0.58 0.49 2.76 0.55 -2.97 115.15 116.25 1sgh h HIS 176 Ca -0.03 -0.22 0.06 0.00 -2.20 0.00 0.00 60.37 57.98 1sgh h HIS 176 Cb 1.26 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.94 1sgh h HIS 176 CO 0.00 0.95 -0.52 1.49 -1.30 0.00 0.00 177.93 178.55 1sgh h GLU 177 N 0.50 -0.22 0.00 5.26 4.57 -0.78 0.35 114.58 124.26 1sgh h GLU 177 Ca 0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1sgh h GLU 177 Cb 0.76 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1sgh h GLU 177 CO 0.06 -0.15 0.62 1.49 -1.18 0.00 0.00 179.01 179.85 1sgh h GLU 178 N -0.23 0.00 -0.12 1.92 4.57 -1.52 -0.62 114.58 118.58 1sgh h GLU 178 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1sgh h GLU 178 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1sgh h GLU 178 CO -0.66 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 177.89 1sgh n HIS 179 N -2.59 0.15 -1.69 0.92 8.25 0.12 -4.94 115.22 115.46 1sgh n HIS 179 Ca -0.01 -0.08 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 1sgh n HIS 179 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 1sgh n HIS 179 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sgh n ARG 180 N 0.14 2.19 -0.06 -0.41 0.63 -0.24 -2.05 116.66 116.85 1sgh n ARG 180 Ca 0.16 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1sgh n ARG 180 Cb 0.29 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.73 1sgh n ARG 180 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sgh n GLY 181 N 2.25 0.65 3.70 5.14 0.00 -1.26 -5.06 105.19 110.61 1sgh n GLY 181 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1sgh n GLY 181 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sgh s MET 182 N -0.94 4.08 0.06 1.61 0.00 -0.87 -5.06 119.30 118.18 1sgh s MET 182 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 55.69 55.12 1sgh s MET 182 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 34.83 31.43 1sgh s MET 182 CO 0.00 0.31 1.27 -0.48 0.00 0.00 0.00 175.02 176.12 1sgh s LEU 183 N 0.30 4.36 0.00 4.11 2.34 -1.26 -4.70 118.68 123.83 1sgh s LEU 183 Ca 0.07 2.10 0.00 0.00 0.06 0.00 0.00 54.13 56.35 1sgh s LEU 183 Cb -0.11 -3.58 0.00 0.00 -0.56 0.00 0.00 46.19 41.94 1sgh s LEU 183 CO -0.01 -0.55 0.00 0.54 -1.06 0.00 0.00 176.35 175.27 1sgh n ARG 184 N 4.16 0.00 -0.10 1.48 1.74 -1.26 -2.18 116.66 120.50 1sgh n ARG 184 Ca 0.10 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1sgh n ARG 184 Cb 0.45 -0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 30.88 1sgh n ARG 184 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sgh n GLU 185 N -0.16 0.54 0.18 5.56 4.71 -1.26 -4.30 120.64 125.91 1sgh n GLU 185 Ca 0.00 0.22 0.14 0.00 -0.01 0.00 0.00 57.16 57.51 1sgh n GLU 185 Cb 0.00 -1.43 0.54 0.00 -1.01 0.00 0.00 31.44 29.54 1sgh n GLU 185 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1sgh h ASP 186 N -0.99 0.00 -0.80 1.62 3.32 -1.83 -1.61 116.42 116.13 1sgh h ASP 186 Ca -0.12 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1sgh h ASP 186 Cb 1.10 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 1sgh h ASP 186 CO -0.07 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 177.90 1sgh h ALA 187 N 2.18 1.12 0.37 3.45 0.00 -1.74 0.57 119.26 125.22 1sgh h ALA 187 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sgh h ALA 187 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sgh h ALA 187 CO 0.00 0.11 -0.18 0.28 0.00 0.00 0.00 179.25 179.46 1sgh h VAL 188 N 0.79 0.00 -0.94 0.00 2.07 -1.49 -1.79 116.25 114.89 1sgh h VAL 188 Ca 0.37 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1sgh h VAL 188 Cb 0.31 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.96 1sgh h VAL 188 CO -0.23 0.00 -0.56 0.25 0.02 0.00 0.00 177.57 177.05 1sgh h LEU 189 N -0.91 -2.04 -1.68 2.57 5.85 -1.34 3.08 115.31 120.85 1sgh h LEU 189 Ca -0.05 0.32 0.27 0.00 0.84 0.00 0.00 57.88 59.25 1sgh h LEU 189 Cb 0.38 0.91 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1sgh h LEU 189 CO 0.08 -0.25 0.68 -0.08 -0.34 0.00 0.00 178.44 178.53 1sgh h GLU 190 N -0.04 0.21 -0.05 1.25 4.57 -0.96 1.73 114.58 121.30 1sgh h GLU 190 Ca 0.18 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1sgh h GLU 190 Cb 0.45 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1sgh h GLU 190 CO -0.91 0.14 -0.08 -0.92 -1.18 0.00 0.00 179.01 176.06 1sgh h TYR 191 N 0.22 0.17 0.27 0.92 3.20 0.59 -2.70 116.97 119.63 1sgh h TYR 191 Ca 0.52 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 1sgh h TYR 191 Cb 1.64 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1sgh h TYR 191 CO -0.00 0.66 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.98 1sgh h LEU 192 N -0.37 -0.30 -0.12 2.82 3.38 0.90 -0.98 115.31 120.64 1sgh h LEU 192 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1sgh h LEU 192 Cb 0.65 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1sgh h LEU 192 CO 0.02 -0.15 0.61 0.29 0.09 0.00 0.00 178.44 179.30 1sgh n LYS 193 N -3.32 0.02 -0.07 1.13 5.02 0.51 0.29 118.16 121.74 1sgh n LYS 193 Ca -0.04 0.56 -0.06 0.00 -2.02 0.00 0.00 58.31 56.75 1sgh n LYS 193 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1sgh n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sgh h ILE 194 N 0.00 0.30 -0.70 -0.18 2.04 -1.07 -3.40 117.51 114.50 1sgh h ILE 194 Ca 0.06 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1sgh h ILE 194 Cb 1.28 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1sgh h ILE 194 CO -0.00 0.10 0.40 0.00 0.00 0.00 0.00 178.15 178.65 1sgh h ALA 195 N -0.83 0.90 0.00 1.87 0.00 0.55 -3.10 119.26 118.64 1sgh h ALA 195 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sgh h ALA 195 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sgh h ALA 195 CO -0.03 0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.87 1sgh n GLN 196 N -4.51 0.00 0.00 0.00 10.64 0.05 0.09 117.38 123.65 1sgh n GLN 196 Ca 0.06 0.27 0.08 0.00 -1.83 0.00 0.00 57.00 55.57 1sgh n GLN 196 Cb 0.08 -1.76 0.03 0.00 -0.86 0.00 0.00 30.24 27.72 1sgh n GLN 196 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1sgh n ASP 197 N -1.29 1.90 -4.65 2.61 10.43 -1.17 -4.91 116.55 119.47 1sgh n ASP 197 Ca -0.00 -1.45 -0.34 0.00 2.57 0.00 0.00 54.79 55.57 1sgh n ASP 197 Cb 0.25 0.28 0.12 0.00 1.84 0.00 0.00 41.12 43.61 1sgh n ASP 197 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1sgh n LEU 198 N 0.29 3.84 0.37 0.64 4.77 0.11 -4.91 117.00 122.12 1sgh n LEU 198 Ca 0.08 0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 1sgh n LEU 198 Cb 0.36 -1.46 -0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1sgh n LEU 198 CO 0.16 -1.93 0.63 -0.33 -1.33 0.00 0.00 177.39 174.59 1sgh h GLU 199 N -0.81 -0.90 0.00 3.23 3.07 -1.88 -3.11 114.58 114.17 1sgh h GLU 199 Ca -0.46 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1sgh h GLU 199 Cb 1.31 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 1sgh h GLU 199 CO 0.45 -0.60 0.00 -1.33 -1.40 0.00 0.00 179.01 176.13 1sgh n MET 200 N -5.50 0.15 -1.19 2.33 2.81 -1.26 -4.92 117.12 109.54 1sgh n MET 200 Ca -0.13 0.36 -0.39 0.00 -1.81 0.00 0.00 57.70 55.73 1sgh n MET 200 Cb 0.39 -1.78 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 1sgh n MET 200 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1sgh n TYR 201 N -2.06 -1.61 -3.70 2.03 9.36 -1.18 -3.02 117.16 116.98 1sgh n TYR 201 Ca 0.03 0.62 -0.20 0.00 3.32 0.00 0.00 57.90 61.68 1sgh n TYR 201 Cb 0.23 -1.63 -0.01 0.00 -0.63 0.00 0.00 39.34 37.30 1sgh n TYR 201 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sgh n GLY 202 N 2.04 -0.27 2.57 2.98 0.00 -1.26 -4.92 105.19 106.34 1sgh n GLY 202 Ca 0.11 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1sgh n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgh s VAL 203 N -4.06 -0.05 0.26 1.61 1.01 -1.17 -4.20 120.40 113.81 1sgh s VAL 203 Ca 0.15 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1sgh s VAL 203 Cb -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 1sgh s VAL 203 CO 0.47 -0.55 1.20 0.20 0.00 0.00 0.00 175.10 176.42 1sgh s ASN 204 N 2.10 7.05 0.22 3.32 0.02 -0.20 -4.91 114.94 122.55 1sgh s ASN 204 Ca 0.06 2.39 0.08 0.00 -1.02 0.00 0.00 52.86 54.37 1sgh s ASN 204 Cb -0.16 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.44 1sgh s ASN 204 CO -0.26 -0.34 0.04 -0.31 0.02 0.00 0.00 177.10 176.25 1sgh s TYR 205 N -0.77 2.85 -0.17 2.20 1.51 -1.26 -2.66 117.35 119.04 1sgh s TYR 205 Ca 0.49 -0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.17 1sgh s TYR 205 Cb -0.35 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.24 1sgh s TYR 205 CO 0.43 0.56 0.58 -0.06 -1.11 0.00 0.00 175.55 175.95 1sgh s PHE 206 N -2.02 -0.61 0.13 2.71 0.40 -1.08 -4.98 117.98 112.53 1sgh s PHE 206 Ca 0.30 1.39 -0.17 0.00 -0.60 0.00 0.00 56.93 57.84 1sgh s PHE 206 Cb -0.08 0.24 -0.07 0.00 0.51 0.00 0.00 43.02 43.62 1sgh s PHE 206 CO 0.20 -0.37 0.59 0.45 0.70 0.00 0.00 175.22 176.79 1sgh s SER 207 N -0.09 6.97 0.05 1.36 0.15 -1.26 0.19 113.70 121.08 1sgh s SER 207 Ca -0.03 1.22 -0.11 0.00 0.70 0.00 0.00 55.95 57.73 1sgh s SER 207 Cb -0.04 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1sgh s SER 207 CO 0.03 0.17 0.24 0.27 1.20 0.00 0.00 173.24 175.14 1sgh s ILE 208 N -1.32 0.11 0.06 6.45 -5.25 0.24 -4.81 121.20 116.67 1sgh s ILE 208 Ca 0.35 -0.87 0.07 0.00 -0.99 0.00 0.00 60.65 59.22 1sgh s ILE 208 Cb -0.17 -1.02 -0.03 0.00 2.95 0.00 0.00 42.46 44.18 1sgh s ILE 208 CO 0.19 -0.48 -0.17 -0.54 -1.79 0.00 0.00 174.94 172.15 1sgh s LYS 209 N -2.88 2.03 0.00 0.37 1.02 0.51 -1.50 119.74 119.28 1sgh s LYS 209 Ca -0.03 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.95 1sgh s LYS 209 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1sgh s LYS 209 CO -0.06 0.53 0.00 0.27 -0.92 0.00 0.00 175.35 175.17 1sgh n ASN 210 N 1.36 0.00 -0.05 2.83 6.94 -1.22 0.27 115.26 125.39 1sgh n ASN 210 Ca -0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.37 1sgh n ASN 210 Cb 0.52 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 1sgh n ASN 210 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1sgh h LYS 211 N 0.00 0.00 -1.98 -3.83 1.63 -1.92 -3.41 116.57 107.06 1sgh h LYS 211 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1sgh h LYS 211 Cb 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 1sgh h LYS 211 CO 0.00 0.00 -0.19 0.36 -3.45 0.00 0.00 179.45 176.17 1sgh n LYS 212 N -4.07 1.64 0.00 1.90 -0.00 -1.26 -4.87 118.16 111.50 1sgh n LYS 212 Ca -0.04 -0.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 1sgh n LYS 212 Cb 0.16 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 1sgh n LYS 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sgh n GLY 213 N 1.99 0.80 2.99 2.58 0.00 -1.26 -4.98 105.19 107.31 1sgh n GLY 213 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1sgh n GLY 213 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgh n SER 214 N 0.46 -2.46 -4.49 1.61 7.64 -1.26 -4.65 113.62 110.47 1sgh n SER 214 Ca 0.00 0.76 -0.31 0.00 1.01 0.00 0.00 58.87 60.33 1sgh n SER 214 Cb 0.00 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.27 1sgh n SER 214 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1sgh s GLU 215 N -0.91 2.20 0.00 1.43 -6.30 -1.26 -3.40 118.70 110.46 1sgh s GLU 215 Ca 0.54 -0.91 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 1sgh s GLU 215 Cb -0.60 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.26 1sgh s GLU 215 CO 0.56 0.56 0.00 1.47 0.02 0.00 0.00 175.26 177.87 1sgh n LEU 216 N 1.60 0.00 -4.40 2.70 -0.00 -0.57 -4.31 117.00 112.02 1sgh n LEU 216 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.53 1sgh n LEU 216 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 1sgh n LEU 216 CO 0.27 0.00 -0.51 0.26 -0.00 0.00 0.00 177.39 177.42 1sgh s TRP 217 N -2.65 2.52 -0.15 1.47 0.52 -0.30 0.81 118.94 121.17 1sgh s TRP 217 Ca 0.00 -0.29 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 1sgh s TRP 217 Cb 0.00 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.71 1sgh s TRP 217 CO 0.00 0.08 0.19 -1.17 0.02 0.00 0.00 176.95 176.08 1sgh s LEU 218 N -0.69 4.30 -0.38 2.99 2.96 0.51 -0.68 118.68 127.70 1sgh s LEU 218 Ca 0.11 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1sgh s LEU 218 Cb -0.10 -2.19 0.06 0.00 0.50 0.00 0.00 46.19 44.46 1sgh s LEU 218 CO -0.00 0.24 0.17 -0.83 -1.32 0.00 0.00 176.35 174.62 1sgh s GLY 219 N -0.16 1.91 -0.19 7.98 0.00 1.06 -2.62 107.32 115.29 1sgh s GLY 219 Ca 0.13 -1.97 -0.02 0.00 0.00 0.00 0.00 44.72 42.86 1sgh s GLY 219 CO 0.02 0.87 -0.11 0.14 0.00 0.00 0.00 173.10 174.03 1sgh s VAL 220 N 1.39 2.91 0.07 1.40 1.01 -1.09 0.14 120.40 126.23 1sgh s VAL 220 Ca 0.01 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1sgh s VAL 220 Cb -0.21 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1sgh s VAL 220 CO 0.02 0.48 0.58 1.51 0.00 0.00 0.00 175.10 177.69 1sgh s ASP 221 N 1.18 -0.53 0.00 3.32 1.47 -1.14 -1.03 116.67 119.94 1sgh s ASP 221 Ca 0.02 0.22 0.00 0.00 1.18 0.00 0.00 52.55 53.97 1sgh s ASP 221 Cb -0.14 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 42.98 1sgh s ASP 221 CO -0.04 -0.79 0.00 0.00 0.68 0.00 0.00 175.17 175.02 1sgh n ALA 222 N 0.20 0.23 0.00 2.11 0.00 -1.26 -1.77 120.51 120.04 1sgh n ALA 222 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sgh n ALA 222 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1sgh n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sgh n LEU 223 N 0.12 0.02 0.00 0.00 4.77 -1.26 -4.82 117.00 115.82 1sgh n LEU 223 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sgh n LEU 223 Cb 0.00 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sgh n LEU 223 CO 0.00 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1sgh n GLY 224 N 2.82 -0.72 3.20 -0.72 0.00 -0.73 -1.53 105.19 107.51 1sgh n GLY 224 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1sgh n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgh s LEU 225 N 0.00 2.32 -0.08 0.99 1.43 0.21 -2.88 118.68 120.67 1sgh s LEU 225 Ca 0.00 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 51.96 1sgh s LEU 225 Cb 0.00 -0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.19 1sgh s LEU 225 CO 0.00 -0.52 0.21 0.20 0.23 0.00 0.00 176.35 176.47 1sgh s ASN 226 N -3.10 -0.21 -0.26 2.29 0.01 0.12 -2.00 114.94 111.79 1sgh s ASN 226 Ca 0.17 0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 52.70 1sgh s ASN 226 Cb 0.06 0.39 0.01 0.00 0.41 0.00 0.00 41.25 42.11 1sgh s ASN 226 CO -0.01 -0.10 0.00 -0.63 -1.51 0.00 0.00 177.10 174.86 1sgh s ILE 227 N 0.42 3.52 0.08 0.60 -1.09 -0.43 0.34 121.20 124.65 1sgh s ILE 227 Ca -0.03 -0.68 0.04 0.00 -2.23 0.00 0.00 60.65 57.75 1sgh s ILE 227 Cb -0.04 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 1sgh s ILE 227 CO -0.02 0.23 0.03 -0.31 -1.23 0.00 0.00 174.94 173.64 1sgh s TYR 228 N 1.45 3.07 1.24 3.97 1.51 0.15 -1.67 117.35 127.08 1sgh s TYR 228 Ca 0.03 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.93 1sgh s TYR 228 Cb -0.16 -1.58 0.30 0.00 -0.11 0.00 0.00 41.96 40.41 1sgh s TYR 228 CO -0.01 0.49 1.04 -2.00 -1.11 0.00 0.00 175.55 173.96 1sgh s GLU 229 N -2.26 -1.54 0.52 -0.62 2.12 -1.26 -1.15 118.70 114.52 1sgh s GLU 229 Ca 0.26 0.18 0.27 0.00 0.36 0.00 0.00 54.97 56.05 1sgh s GLU 229 Cb -0.12 -1.54 1.44 0.00 0.26 0.00 0.00 34.13 34.17 1sgh s GLU 229 CO 0.19 -3.97 2.07 0.37 -0.54 0.00 0.00 175.26 173.38 1sgh h GLN 230 N -2.77 0.00 0.00 4.30 5.75 -1.94 -3.35 115.11 117.10 1sgh h GLN 230 Ca -0.48 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 57.96 1sgh h GLN 230 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 1sgh h GLN 230 CO 0.38 0.12 -1.20 0.09 -2.65 0.00 0.00 178.83 175.56 1sgh n ASN 231 N -3.64 4.13 -4.31 -0.69 3.02 -1.26 -4.84 115.26 107.66 1sgh n ASN 231 Ca -0.02 -0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 1sgh n ASN 231 Cb 0.24 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1sgh n ASN 231 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgh n ASP 232 N -2.24 4.90 0.10 6.41 -0.08 -1.26 -4.50 116.55 119.88 1sgh n ASP 232 Ca -0.05 -2.96 0.12 0.00 -1.51 0.00 0.00 54.79 50.39 1sgh n ASP 232 Cb 0.59 -1.64 0.10 0.00 2.34 0.00 0.00 41.12 42.52 1sgh n ASP 232 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1sgh h ARG 233 N 6.92 0.00 0.00 -0.67 3.08 -1.89 -3.35 114.38 118.48 1sgh h ARG 233 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1sgh h ARG 233 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1sgh h ARG 233 CO 1.47 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.65 1sgh n LEU 234 N -2.45 0.54 -4.67 3.04 4.32 -1.26 -4.70 117.00 111.81 1sgh n LEU 234 Ca 0.02 0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.77 1sgh n LEU 234 Cb 0.49 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.26 1sgh n LEU 234 CO 0.38 0.00 0.67 -0.89 -1.22 0.00 0.00 177.39 176.32 1sgh s THR 235 N -0.35 4.85 0.85 -5.08 2.01 -1.26 -4.85 115.64 111.81 1sgh s THR 235 Ca 0.00 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 63.62 1sgh s THR 235 Cb 0.00 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 68.42 1sgh s THR 235 CO 0.00 0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 172.90 1sgh s PRO 236 N 2.19 1.67 -0.00 4.92 0.04 -1.26 -4.79 135.00 137.77 1sgh s PRO 236 Ca 0.41 0.45 0.03 0.00 0.04 0.00 0.00 61.00 61.93 1sgh s PRO 236 Cb -0.17 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1sgh s PRO 236 CO 0.13 -1.87 0.11 1.63 0.04 0.00 0.00 177.00 177.04 1sgh n LYS 237 N -3.57 3.94 -3.68 4.56 4.76 -0.67 -5.01 118.16 118.50 1sgh n LYS 237 Ca 0.07 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 1sgh n LYS 237 Cb 0.58 -0.80 -0.08 0.00 -1.84 0.00 0.00 35.03 32.89 1sgh n LYS 237 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1sgh s ILE 238 N -1.62 0.02 0.06 -0.18 1.09 -1.20 -4.99 121.20 114.39 1sgh s ILE 238 Ca 0.00 -0.19 -0.08 0.00 -1.10 0.00 0.00 60.65 59.28 1sgh s ILE 238 Cb 0.02 -0.74 -0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1sgh s ILE 238 CO 0.13 -0.10 0.16 -0.83 -0.10 0.00 0.00 174.94 174.20 1sgh s GLY 239 N -0.76 0.11 -0.26 6.18 0.00 -1.26 -1.31 107.32 110.02 1sgh s GLY 239 Ca -0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 1sgh s GLY 239 CO 0.05 -0.72 0.42 -1.36 0.00 0.00 0.00 173.10 171.48 1sgh s PHE 240 N -3.32 -0.99 0.34 1.90 0.40 -0.85 -4.98 117.98 110.49 1sgh s PHE 240 Ca 0.01 0.89 -0.26 0.00 -0.60 0.00 0.00 56.93 56.97 1sgh s PHE 240 Cb 0.03 0.08 -0.09 0.00 0.51 0.00 0.00 43.02 43.54 1sgh s PHE 240 CO -0.08 -0.79 1.02 -1.25 0.70 0.00 0.00 175.22 174.82 1sgh s PRO 241 N 2.60 4.43 0.50 0.24 0.04 -1.26 -0.62 135.00 140.93 1sgh s PRO 241 Ca 0.13 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1sgh s PRO 241 Cb -0.15 -2.81 0.45 0.00 0.04 0.00 0.00 34.50 32.04 1sgh s PRO 241 CO -0.19 0.10 1.17 -1.49 0.04 0.00 0.00 177.00 176.63 1sgh h TRP 242 N 3.09 0.00 0.00 0.56 -0.00 -1.63 1.04 115.95 119.01 1sgh h TRP 242 Ca -0.47 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 58.21 1sgh h TRP 242 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.33 1sgh h TRP 242 CO 0.59 0.00 -1.26 0.66 -0.00 0.00 0.00 178.44 178.43 1sgh h SER 243 N 0.00 0.00 -0.27 -3.49 4.64 -1.92 -3.32 113.55 109.20 1sgh h SER 243 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgh h SER 243 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1sgh h SER 243 CO 0.00 0.81 0.00 -0.62 -0.87 0.00 0.00 176.83 176.15 1sgh n GLU 244 N -3.11 1.76 -4.02 4.77 1.02 0.36 -4.82 120.64 116.59 1sgh n GLU 244 Ca -0.08 -1.03 -0.26 0.00 -0.02 0.00 0.00 57.16 55.77 1sgh n GLU 244 Cb 0.92 -1.30 -0.17 0.00 -0.02 0.00 0.00 31.44 30.87 1sgh n GLU 244 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sgh s ILE 245 N -1.63 1.01 -0.10 -3.67 1.09 -1.22 -3.63 121.20 113.04 1sgh s ILE 245 Ca 0.19 -0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.44 1sgh s ILE 245 Cb 0.11 -1.02 -0.25 0.00 -1.06 0.00 0.00 42.46 40.24 1sgh s ILE 245 CO 0.12 0.36 0.42 -2.11 -0.10 0.00 0.00 174.94 173.63 1sgh n ARG 246 N 4.74 0.71 -3.59 2.79 1.85 0.57 -4.98 116.66 118.75 1sgh n ARG 246 Ca -0.14 0.26 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 1sgh n ARG 246 Cb 0.50 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 30.15 1sgh n ARG 246 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1sgh s ASN 247 N -6.66 -0.33 0.11 2.89 3.84 -0.49 -4.95 114.94 109.36 1sgh s ASN 247 Ca -0.17 -0.13 -0.20 0.00 0.21 0.00 0.00 52.86 52.57 1sgh s ASN 247 Cb 0.07 0.49 0.05 0.00 -0.55 0.00 0.00 41.25 41.31 1sgh s ASN 247 CO 0.78 -0.82 0.49 0.27 -2.79 0.00 0.00 177.10 175.03 1sgh s ILE 248 N -3.38 0.04 0.00 -5.21 -0.00 -1.23 0.59 121.20 112.01 1sgh s ILE 248 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 1sgh s ILE 248 Cb 0.01 -1.06 0.00 0.00 -0.00 0.00 0.00 42.46 41.41 1sgh s ILE 248 CO -0.09 -0.17 0.00 -1.54 -0.00 0.00 0.00 174.94 173.14 1sgh n SER 249 N -0.09 0.00 -4.24 4.36 3.41 0.09 -4.96 113.62 112.19 1sgh n SER 249 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 1sgh n SER 249 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1sgh n SER 249 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1sgh s PHE 250 N -2.00 1.32 -0.38 7.33 -0.00 -1.25 -0.50 117.98 122.50 1sgh s PHE 250 Ca 0.00 -0.64 0.02 0.00 -0.00 0.00 0.00 56.93 56.31 1sgh s PHE 250 Cb 0.00 -0.68 0.11 0.00 -0.00 0.00 0.00 43.02 42.45 1sgh s PHE 250 CO 0.00 0.12 0.14 1.21 -0.00 0.00 0.00 175.22 176.69 1sgh s ASN 251 N -2.76 4.19 0.00 1.98 3.84 -0.99 -4.94 114.94 116.25 1sgh s ASN 251 Ca 0.12 -2.22 0.00 0.00 0.21 0.00 0.00 52.86 50.97 1sgh s ASN 251 Cb -0.02 -1.23 0.00 0.00 -0.55 0.00 0.00 41.25 39.45 1sgh s ASN 251 CO 0.02 -0.34 0.00 -0.67 -2.79 0.00 0.00 177.10 173.32 1sgh n ASP 252 N 4.11 0.00 -0.15 -4.21 2.03 -1.26 -1.99 116.55 115.09 1sgh n ASP 252 Ca 0.03 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.37 1sgh n ASP 252 Cb 0.39 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.80 1sgh n ASP 252 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sgh n LYS 253 N 0.00 1.33 -3.30 -0.67 4.76 -1.26 -4.69 118.16 114.33 1sgh n LYS 253 Ca 0.00 -0.58 -0.38 0.00 -2.87 0.00 0.00 58.31 54.48 1sgh n LYS 253 Cb 0.00 -0.99 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1sgh n LYS 253 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1sgh s LYS 254 N -0.70 4.20 -0.30 1.97 2.20 -0.84 -2.87 119.74 123.39 1sgh s LYS 254 Ca 0.05 0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1sgh s LYS 254 Cb 0.04 -3.29 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1sgh s LYS 254 CO 0.10 0.52 0.00 0.12 -0.36 0.00 0.00 175.35 175.73 1sgh s PHE 255 N -0.65 3.25 -0.30 4.03 5.36 -0.63 -2.36 117.98 126.68 1sgh s PHE 255 Ca 0.28 -1.80 -0.05 0.00 -0.96 0.00 0.00 56.93 54.40 1sgh s PHE 255 Cb -0.18 -2.12 0.03 0.00 -0.34 0.00 0.00 43.02 40.41 1sgh s PHE 255 CO 0.16 -0.79 0.05 0.08 -1.46 0.00 0.00 175.22 173.27 1sgh s VAL 256 N 1.27 3.61 -0.29 3.12 1.01 0.35 -0.83 120.40 128.63 1sgh s VAL 256 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1sgh s VAL 256 Cb -0.19 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.32 1sgh s VAL 256 CO -0.01 0.00 -0.03 -0.63 0.00 0.00 0.00 175.10 174.43 1sgh s ILE 257 N 1.41 2.50 -0.29 2.22 1.01 1.56 -0.73 121.20 128.87 1sgh s ILE 257 Ca -0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 60.65 58.65 1sgh s ILE 257 Cb -0.18 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1sgh s ILE 257 CO 0.01 -0.19 1.07 -0.54 0.00 0.00 0.00 174.94 175.29 1sgh s LYS 258 N 1.11 4.12 0.00 2.79 1.02 2.45 -1.64 119.74 129.59 1sgh s LYS 258 Ca -0.03 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1sgh s LYS 258 Cb -0.20 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1sgh s LYS 258 CO -0.04 -0.83 0.00 -0.35 -0.92 0.00 0.00 175.35 173.21 1sgh n PRO 259 N 6.72 0.49 -3.84 -1.68 -0.04 -1.26 -0.31 135.00 135.08 1sgh n PRO 259 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1sgh n PRO 259 Cb 0.47 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.77 1sgh n PRO 259 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sgh s ILE 260 N -0.23 1.04 0.00 0.52 1.01 -1.24 -3.75 121.20 118.55 1sgh s ILE 260 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1sgh s ILE 260 Cb 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1sgh s ILE 260 CO 0.00 -0.18 0.00 -0.90 0.00 0.00 0.00 174.94 173.86 1sgh n ASP 261 N 4.85 0.00 0.00 3.58 5.68 -1.26 -4.95 116.55 124.45 1sgh n ASP 261 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1sgh n ASP 261 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1sgh n ASP 261 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1sgh n LYS 262 N 0.00 0.00 0.04 0.11 2.85 -1.26 -4.98 118.16 114.93 1sgh n LYS 262 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1sgh n LYS 262 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 1sgh n LYS 262 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1sgh h LYS 263 N 0.00 0.02 -6.29 -1.58 1.79 -2.01 -3.44 116.57 105.07 1sgh h LYS 263 Ca 0.00 -0.04 -0.55 0.00 -2.18 0.00 0.00 60.65 57.87 1sgh h LYS 263 Cb 0.00 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1sgh h LYS 263 CO 0.00 0.90 0.63 0.00 -1.08 0.00 0.00 179.45 179.90 1sgh s ALA 264 N -2.68 3.45 0.00 3.86 0.00 -1.26 -5.02 121.76 120.10 1sgh s ALA 264 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1sgh s ALA 264 Cb 0.09 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1sgh s ALA 264 CO 0.83 -0.68 0.00 -0.35 0.00 0.00 0.00 175.76 175.56 1sgh n PRO 265 N 5.08 1.80 -4.07 0.00 -0.04 -1.26 -4.79 135.00 131.71 1sgh n PRO 265 Ca 0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1sgh n PRO 265 Cb 0.47 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.79 1sgh n PRO 265 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1sgh s ASP 266 N -0.91 3.88 -0.28 3.54 2.15 -1.26 -4.56 116.67 119.23 1sgh s ASP 266 Ca 0.00 -0.47 -0.29 0.00 0.43 0.00 0.00 52.55 52.22 1sgh s ASP 266 Cb 0.00 -1.64 -0.01 0.00 -0.30 0.00 0.00 42.92 40.97 1sgh s ASP 266 CO 0.00 0.01 1.45 0.12 -0.17 0.00 0.00 175.17 176.58 1sgh s PHE 267 N 1.30 2.40 -0.06 -5.34 2.19 -0.65 -4.88 117.98 112.95 1sgh s PHE 267 Ca 0.04 0.71 -0.10 0.00 0.33 0.00 0.00 56.93 57.91 1sgh s PHE 267 Cb -0.14 -3.98 0.02 0.00 -1.31 0.00 0.00 43.02 37.61 1sgh s PHE 267 CO -0.05 -2.26 0.24 0.08 1.83 0.00 0.00 175.22 175.06 1sgh s VAL 268 N 4.86 0.03 0.00 3.12 1.01 -1.19 0.45 120.40 128.68 1sgh s VAL 268 Ca 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1sgh s VAL 268 Cb -0.20 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1sgh s VAL 268 CO 0.27 -0.14 0.00 2.22 0.00 0.00 0.00 175.10 177.44 1sgh n PHE 269 N 2.22 -0.01 -3.70 5.22 1.16 -0.01 -4.94 117.46 117.41 1sgh n PHE 269 Ca -0.17 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.18 1sgh n PHE 269 Cb 0.57 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.27 1sgh n PHE 269 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1sgh s TYR 270 N -1.94 0.43 -0.24 2.97 1.51 0.76 -1.60 117.35 119.24 1sgh s TYR 270 Ca 0.00 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.78 1sgh s TYR 270 Cb 0.00 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 41.09 1sgh s TYR 270 CO 0.00 -0.37 0.19 0.00 -1.11 0.00 0.00 175.55 174.26 1sgh s ALA 271 N 2.05 3.60 0.29 3.71 0.00 -1.14 -0.37 121.76 129.90 1sgh s ALA 271 Ca 0.03 -0.87 0.26 0.00 0.00 0.00 0.00 51.96 51.38 1sgh s ALA 271 Cb -0.14 -2.38 1.21 0.00 0.00 0.00 0.00 23.12 21.81 1sgh s ALA 271 CO -0.06 -0.25 1.96 -1.00 0.00 0.00 0.00 175.76 176.41 1sgh h PRO 272 N 7.61 0.00 -6.54 0.00 0.13 -1.88 -3.44 132.00 127.88 1sgh h PRO 272 Ca -0.37 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.09 1sgh h PRO 272 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1sgh h PRO 272 CO 0.65 0.17 -0.75 1.03 -0.23 0.00 0.00 178.00 178.88 1sgh s ARG 273 N -3.93 2.14 -0.11 0.86 1.81 -1.26 -5.05 118.95 113.41 1sgh s ARG 273 Ca -0.01 -1.00 -0.06 0.00 -1.72 0.00 0.00 55.73 52.94 1sgh s ARG 273 Cb 0.12 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.27 1sgh s ARG 273 CO 0.61 0.52 0.07 1.25 -0.68 0.00 0.00 175.30 177.07 1sgh h LEU 274 N 3.82 0.00 -1.41 2.53 5.85 -1.83 -3.34 115.31 120.93 1sgh h LEU 274 Ca -0.49 -0.14 0.43 0.00 0.84 0.00 0.00 57.88 58.52 1sgh h LEU 274 Cb 1.17 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1sgh h LEU 274 CO 0.51 0.63 1.00 -1.14 -0.34 0.00 0.00 178.44 179.10 1sgh n ARG 275 N -4.72 -0.01 -0.02 1.25 0.63 -1.26 0.45 116.66 112.98 1sgh n ARG 275 Ca -0.03 0.87 -0.13 0.00 -0.92 0.00 0.00 57.85 57.64 1sgh n ARG 275 Cb 0.12 -1.93 -0.08 0.00 0.45 0.00 0.00 32.46 31.02 1sgh n ARG 275 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1sgh h ILE 276 N 0.00 1.32 -0.81 5.15 5.03 -1.98 0.11 117.51 126.33 1sgh h ILE 276 Ca 0.72 -1.01 -0.04 0.00 -0.12 0.00 0.00 64.86 64.41 1sgh h ILE 276 Cb 2.74 1.89 -0.04 0.00 -3.03 0.00 0.00 36.82 38.38 1sgh h ILE 276 CO -0.10 0.27 0.35 0.78 -0.68 0.00 0.00 178.15 178.77 1sgh h ASN 277 N -0.27 1.09 -0.17 1.72 2.35 0.95 3.37 115.58 124.63 1sgh h ASN 277 Ca 0.01 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1sgh h ASN 277 Cb 0.45 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1sgh h ASN 277 CO 0.01 0.95 0.03 0.11 -1.65 0.00 0.00 177.43 176.88 1sgh h LYS 278 N 1.16 0.37 0.00 0.81 1.57 -0.58 -0.36 116.57 119.55 1sgh h LYS 278 Ca 0.27 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1sgh h LYS 278 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1sgh h LYS 278 CO -0.03 0.38 -0.32 0.00 -0.57 0.00 0.00 179.45 178.91 1sgh h ARG 279 N 0.37 0.00 -1.06 3.15 3.08 0.87 -2.98 114.38 117.81 1sgh h ARG 279 Ca 0.09 0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.46 1sgh h ARG 279 Cb 0.20 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.12 1sgh h ARG 279 CO 0.00 0.78 0.64 0.82 -1.07 0.00 0.00 179.97 181.14 1sgh h ILE 280 N -1.00 0.35 0.00 2.04 2.04 0.63 0.67 117.51 122.25 1sgh h ILE 280 Ca -0.08 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1sgh h ILE 280 Cb 0.88 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1sgh h ILE 280 CO -0.05 0.06 0.00 -0.11 0.00 0.00 0.00 178.15 178.05 1sgh n LEU 281 N -4.88 1.07 -0.05 1.44 7.94 -0.16 -0.76 117.00 121.59 1sgh n LEU 281 Ca 0.31 0.30 0.01 0.00 -1.11 0.00 0.00 56.01 55.52 1sgh n LEU 281 Cb 1.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.97 1sgh n LEU 281 CO 0.16 0.00 0.10 0.00 -1.11 0.00 0.00 177.39 176.53 1sgh n ALA 282 N -0.60 0.04 0.17 1.96 0.00 -0.52 0.18 120.51 121.75 1sgh n ALA 282 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1sgh n ALA 282 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 1sgh n ALA 282 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sgh h LEU 283 N 0.00 -0.42 -1.16 0.00 3.38 0.25 -2.70 115.31 114.66 1sgh h LEU 283 Ca 0.07 -0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.20 1sgh h LEU 283 Cb 0.12 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 1sgh h LEU 283 CO -0.15 0.02 0.64 0.00 0.09 0.00 0.00 178.44 179.04 1sgh n MET 285 N -4.82 0.00 -0.14 0.00 2.81 0.06 -1.93 117.12 113.10 1sgh n MET 285 Ca 0.28 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 56.14 1sgh n MET 285 Cb 0.90 -0.79 -0.03 0.00 -0.71 0.00 0.00 33.22 32.59 1sgh n MET 285 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sgh n GLY 286 N 0.06 -1.54 0.00 3.03 0.00 -1.02 0.07 105.19 105.78 1sgh n GLY 286 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1sgh n GLY 286 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sgh n ASN 287 N -3.85 0.00 -0.06 1.61 3.02 -0.43 0.98 115.26 116.54 1sgh n ASN 287 Ca 0.01 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.80 1sgh n ASN 287 Cb 0.09 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1sgh n ASN 287 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1sgh n HIS 288 N -0.49 -0.06 -0.33 3.10 -0.00 -0.44 0.12 115.22 117.11 1sgh n HIS 288 Ca 0.00 0.18 -0.01 0.00 -0.00 0.00 0.00 57.72 57.90 1sgh n HIS 288 Cb 0.00 -0.35 0.04 0.00 -0.00 0.00 0.00 29.99 29.68 1sgh n HIS 288 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1sgh n GLU 289 N -3.12 -0.20 -0.25 1.57 0.00 0.11 0.17 120.64 118.92 1sgh n GLU 289 Ca 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 57.16 58.49 1sgh n GLU 289 Cb 0.04 -1.99 0.11 0.00 0.00 0.00 0.00 31.44 29.60 1sgh n GLU 289 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1sgh h LEU 290 N 0.00 0.59 -1.00 4.31 3.38 0.79 -0.55 115.31 122.83 1sgh h LEU 290 Ca 0.31 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.55 1sgh h LEU 290 Cb 0.52 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 1sgh h LEU 290 CO -0.86 0.37 0.58 0.22 0.09 0.00 0.00 178.44 178.85 1sgh h TYR 291 N 0.72 1.00 0.28 1.13 -0.00 0.42 -2.97 116.97 117.55 1sgh h TYR 291 Ca 0.32 0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 59.07 1sgh h TYR 291 Cb 0.21 -0.29 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1sgh h TYR 291 CO -0.07 0.07 -0.14 0.52 -0.00 0.00 0.00 178.16 178.54 1sgh h MET 292 N 0.59 -0.37 -0.32 1.82 2.86 -0.16 -3.10 114.93 116.25 1sgh h MET 292 Ca 0.64 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 58.39 1sgh h MET 292 Cb 1.19 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 1sgh h MET 292 CO -0.47 -0.24 0.56 -0.09 1.06 0.00 0.00 176.91 177.72 1sgh h ARG 293 N -0.77 0.00 0.49 1.72 2.43 -1.54 0.16 114.38 116.87 1sgh h ARG 293 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1sgh h ARG 293 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1sgh h ARG 293 CO 0.06 0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.29 1sgh h ARG 294 N 0.00 -0.63 0.00 0.20 3.08 -1.55 0.13 114.38 115.61 1sgh h ARG 294 Ca 0.15 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1sgh h ARG 294 Cb 1.27 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1sgh h ARG 294 CO -0.00 -0.42 0.00 0.54 -1.07 0.00 0.00 179.97 179.02 1sgh n ARG 295 N -4.36 0.50 -2.72 0.04 1.74 -0.34 -4.22 116.66 107.29 1sgh n ARG 295 Ca -0.08 0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 56.97 1sgh n ARG 295 Cb 0.26 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1sgh n ARG 295 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1sgh n LYS 296 N -1.18 0.57 0.00 5.56 5.02 0.42 -5.10 118.16 123.45 1sgh n LYS 296 Ca 0.14 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 1sgh n LYS 296 Cb 0.15 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1sgh n LYS 296 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53