#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iio s LEU 2 N 0.00 4.59 0.15 0.00 1.43 -1.26 -5.04 118.68 118.55 3iio s LEU 2 Ca 0.00 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 3iio s LEU 2 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 3iio s LEU 2 CO 0.00 0.01 1.12 0.00 0.23 0.00 0.00 176.35 177.71 3iio s ALA 3 N -0.97 3.37 -0.09 4.21 0.00 -1.26 -4.73 121.76 122.29 3iio s ALA 3 Ca 0.43 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 3iio s ALA 3 Cb -0.28 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3iio s ALA 3 CO 0.35 -0.26 0.46 0.15 0.00 0.00 0.00 175.76 176.46 3iio s LYS 4 N -0.04 4.27 0.10 0.00 -0.14 0.15 -4.98 119.74 119.11 3iio s LYS 4 Ca 0.51 0.44 -0.08 0.00 -1.36 0.00 0.00 55.97 55.49 3iio s LYS 4 Cb -0.29 -3.40 -0.06 0.00 -1.68 0.00 0.00 37.83 32.41 3iio s LYS 4 CO 0.34 0.26 0.39 1.03 -0.76 0.00 0.00 175.35 176.61 3iio s ARG 5 N 0.29 3.70 -0.25 1.68 0.52 -0.70 -4.37 118.95 119.82 3iio s ARG 5 Ca 0.25 0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3iio s ARG 5 Cb -0.15 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 3iio s ARG 5 CO 0.11 0.52 0.01 0.42 0.02 0.00 0.00 175.30 176.39 3iio s ILE 6 N -1.50 3.70 -0.11 1.52 -1.09 -1.26 -1.83 121.20 120.63 3iio s ILE 6 Ca 0.36 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 58.24 3iio s ILE 6 Cb -0.13 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3iio s ILE 6 CO 0.20 0.31 0.04 -1.81 -1.23 0.00 0.00 174.94 172.45 3iio s ASP 7 N 1.51 5.55 -0.25 3.58 1.01 0.51 -1.66 116.67 126.92 3iio s ASP 7 Ca 0.05 0.20 -0.10 0.00 0.71 0.00 0.00 52.55 53.40 3iio s ASP 7 Cb -0.15 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.01 3iio s ASP 7 CO -0.00 0.34 0.16 0.00 0.21 0.00 0.00 175.17 175.88 3iio s ALA 8 N -0.64 3.56 -0.10 5.23 0.00 -0.93 -2.49 121.76 126.40 3iio s ALA 8 Ca 0.11 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 3iio s ALA 8 Cb -0.12 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3iio s ALA 8 CO 0.02 -0.31 0.30 0.00 0.00 0.00 0.00 175.76 175.77 3iio s ALA 9 N 1.29 3.69 -0.20 0.00 0.00 -0.45 -0.97 121.76 125.11 3iio s ALA 9 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3iio s ALA 9 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 23.12 20.72 3iio s ALA 9 CO 0.06 0.34 -0.13 -0.51 0.00 0.00 0.00 175.76 175.53 3iio s LEU 10 N -0.39 2.45 0.10 0.00 1.02 0.79 -4.46 118.68 118.19 3iio s LEU 10 Ca 0.19 -0.92 -0.30 0.00 0.02 0.00 0.00 54.13 53.12 3iio s LEU 10 Cb -0.14 -1.35 -0.06 0.00 0.02 0.00 0.00 46.19 44.67 3iio s LEU 10 CO 0.07 -0.12 0.99 -0.63 0.02 0.00 0.00 176.35 176.68 3iio s ILE 11 N 1.32 4.47 0.04 -0.59 1.09 -1.26 -1.38 121.20 124.89 3iio s ILE 11 Ca -0.01 1.99 0.04 0.00 -1.10 0.00 0.00 60.65 61.57 3iio s ILE 11 Cb -0.16 -4.27 -0.02 0.00 -1.06 0.00 0.00 42.46 36.94 3iio s ILE 11 CO -0.09 0.28 -0.12 0.54 -0.10 0.00 0.00 174.94 175.45 3iio s VAL 12 N 0.18 0.91 -0.29 2.92 0.11 0.35 -1.33 120.40 123.25 3iio s VAL 12 Ca 0.49 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.38 3iio s VAL 12 Cb -0.24 -0.86 0.12 0.00 -1.53 0.00 0.00 36.38 33.87 3iio s VAL 12 CO 0.30 -0.12 0.84 -0.75 -3.33 0.00 0.00 175.10 172.04 3iio s LYS 13 N -1.27 0.51 -1.27 1.54 2.20 -0.35 -0.42 119.74 120.68 3iio s LYS 13 Ca -0.02 0.96 -0.07 0.00 -0.36 0.00 0.00 55.97 56.48 3iio s LYS 13 Cb -0.08 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.51 3iio s LYS 13 CO 0.01 -0.12 0.42 -0.25 -0.36 0.00 0.00 175.35 175.05 3iio n ASP 14 N 4.26 -4.08 0.00 1.43 8.00 -1.26 -0.56 116.55 124.33 3iio n ASP 14 Ca -0.17 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3iio n ASP 14 Cb 0.57 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3iio n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iio n GLY 15 N -1.15 0.58 3.26 0.44 0.00 -1.26 -5.03 105.19 102.02 3iio n GLY 15 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3iio n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iio s ARG 16 N -0.05 1.19 -0.37 1.61 0.52 0.27 -4.47 118.95 117.65 3iio s ARG 16 Ca 0.00 -1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 53.87 3iio s ARG 16 Cb 0.00 -1.39 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 3iio s ARG 16 CO 0.00 0.33 1.85 0.08 0.02 0.00 0.00 175.30 177.59 3iio s VAL 17 N -1.03 3.41 -0.04 3.52 1.01 -0.34 -1.21 120.40 125.73 3iio s VAL 17 Ca 0.06 0.40 -0.34 0.00 0.00 0.00 0.00 61.98 62.10 3iio s VAL 17 Cb -0.09 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 3iio s VAL 17 CO 0.03 -0.45 1.82 0.52 0.00 0.00 0.00 175.10 177.02 3iio n VAL 18 N 7.42 0.46 -1.01 2.92 0.31 -0.44 -0.37 118.33 127.62 3iio n VAL 18 Ca 0.23 -0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3iio n VAL 18 Cb 0.48 -1.80 -0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3iio n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iio n LYS 19 N 5.96 -0.89 0.00 5.55 5.02 -1.26 -4.80 118.16 127.74 3iio n LYS 19 Ca 0.21 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3iio n LYS 19 Cb 0.29 -3.94 0.00 0.00 -0.02 0.00 0.00 35.03 31.36 3iio n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iio n GLY 20 N -1.24 0.94 3.39 0.72 0.00 0.50 -4.92 105.19 104.58 3iio n GLY 20 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3iio n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iio s SER 21 N -4.00 -0.10 -0.25 1.61 1.04 -1.19 -4.86 113.70 105.95 3iio s SER 21 Ca 0.00 -0.62 0.09 0.00 0.48 0.00 0.00 55.95 55.90 3iio s SER 21 Cb 0.00 0.49 0.65 0.00 0.10 0.00 0.00 66.02 67.26 3iio s SER 21 CO 0.00 -0.93 1.61 0.59 0.98 0.00 0.00 173.24 175.49 3iio n ASN 22 N -0.25 4.60 -4.47 7.02 3.02 -0.43 -4.83 115.26 119.92 3iio n ASN 22 Ca -0.10 -2.94 -0.43 0.00 -0.03 0.00 0.00 54.58 51.08 3iio n ASN 22 Cb 0.63 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 3iio n ASN 22 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iio s PHE 23 N -2.55 2.89 -0.32 3.10 0.40 -1.26 -4.89 117.98 115.34 3iio s PHE 23 Ca 0.46 -0.35 0.23 0.00 -0.60 0.00 0.00 56.93 56.67 3iio s PHE 23 Cb 0.36 -3.89 0.10 0.00 0.51 0.00 0.00 43.02 40.10 3iio s PHE 23 CO 0.12 -1.27 1.17 0.93 0.70 0.00 0.00 175.22 176.87 3iio h GLU 24 N 9.22 0.00 0.00 0.44 5.08 -2.00 -3.18 114.58 124.14 3iio h GLU 24 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3iio h GLU 24 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3iio h GLU 24 CO 1.05 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 179.33 3iio n ASN 25 N -2.66 0.33 -4.81 1.42 6.94 -1.26 -4.72 115.26 110.49 3iio n ASN 25 Ca 0.01 0.63 -0.38 0.00 -0.02 0.00 0.00 54.58 54.82 3iio n ASN 25 Cb 0.53 -0.68 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 3iio n ASN 25 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3iio s LEU 26 N -3.82 4.51 0.11 -4.53 1.43 -1.20 -4.99 118.68 110.18 3iio s LEU 26 Ca 0.01 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 3iio s LEU 26 Cb 0.05 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 3iio s LEU 26 CO 0.17 0.25 1.75 0.03 0.23 0.00 0.00 176.35 178.78 3iio h ARG 27 N 4.39 0.10 -3.58 1.70 3.08 -1.90 -3.37 114.38 114.80 3iio h ARG 27 Ca -0.49 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 58.95 3iio h ARG 27 Cb 1.21 -0.02 -0.40 0.00 0.08 0.00 0.00 29.97 30.84 3iio h ARG 27 CO 0.64 0.06 -0.75 0.34 -1.07 0.00 0.00 179.97 179.19 3iio s ASP 28 N -5.26 4.04 0.54 7.04 2.15 -1.26 -4.99 116.67 118.93 3iio s ASP 28 Ca -0.13 -1.87 0.33 0.00 0.43 0.00 0.00 52.55 51.30 3iio s ASP 28 Cb 0.08 -0.98 1.50 0.00 -0.30 0.00 0.00 42.92 43.21 3iio s ASP 28 CO 0.68 -0.39 1.87 -1.28 -0.17 0.00 0.00 175.17 175.88 3iio h SER 29 N 7.79 0.00 -0.37 -0.34 0.87 -1.81 -1.62 113.55 118.07 3iio h SER 29 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3iio h SER 29 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3iio h SER 29 CO 0.48 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.39 3iio n GLY 30 N -1.72 2.83 3.63 5.77 0.00 -1.26 -3.18 105.19 111.26 3iio n GLY 30 Ca 0.20 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3iio n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iio s ASP 31 N -1.06 6.77 0.28 1.61 2.15 -0.61 -1.19 116.67 124.63 3iio s ASP 31 Ca 0.26 0.87 -0.02 0.00 0.43 0.00 0.00 52.55 54.09 3iio s ASP 31 Cb 0.15 -2.44 0.41 0.00 -0.30 0.00 0.00 42.92 40.73 3iio s ASP 31 CO 0.17 -0.62 1.87 -0.65 -0.17 0.00 0.00 175.17 175.77 3iio h PRO 32 N 7.94 0.94 -0.10 4.34 0.11 -1.87 -1.82 132.00 141.54 3iio h PRO 32 Ca -0.23 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3iio h PRO 32 Cb 1.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3iio h PRO 32 CO 0.91 0.75 -0.05 0.28 -0.21 0.00 0.00 178.00 179.67 3iio h VAL 33 N 0.93 1.32 0.37 3.15 2.07 -1.94 0.61 116.25 122.76 3iio h VAL 33 Ca 0.22 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3iio h VAL 33 Cb 0.14 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3iio h VAL 33 CO -0.02 0.30 -0.18 -0.08 0.02 0.00 0.00 177.57 177.61 3iio h GLU 34 N -0.16 -0.47 -0.50 1.57 4.81 -1.86 -1.13 114.58 116.84 3iio h GLU 34 Ca 0.02 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3iio h GLU 34 Cb 0.50 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 3iio h GLU 34 CO 0.01 -0.29 0.21 1.25 -0.73 0.00 0.00 179.01 179.47 3iio h LEU 35 N -0.54 0.27 0.05 1.64 5.85 -1.39 0.10 115.31 121.29 3iio h LEU 35 Ca -0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3iio h LEU 35 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3iio h LEU 35 CO 0.08 0.19 -0.08 1.23 -0.34 0.00 0.00 178.44 179.52 3iio h GLY 36 N 0.42 -0.13 0.55 3.75 0.00 -0.84 0.24 103.07 107.06 3iio h GLY 36 Ca 0.23 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.69 3iio h GLY 36 CO -0.20 -0.08 -0.07 1.70 0.00 0.00 0.00 176.54 177.88 3iio h LYS 37 N -0.16 -0.04 -0.36 4.80 3.64 -1.00 -0.07 116.57 123.38 3iio h LYS 37 Ca 0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3iio h LYS 37 Cb 0.17 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3iio h LYS 37 CO -0.04 -0.03 -0.24 0.35 -2.27 0.00 0.00 179.45 177.22 3iio h PHE 38 N -0.04 -0.62 -0.74 1.91 3.57 -0.66 -1.31 116.94 119.04 3iio h PHE 38 Ca 0.10 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.78 3iio h PHE 38 Cb 0.19 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 3iio h PHE 38 CO -0.24 -0.31 0.32 1.88 -2.23 0.00 0.00 178.31 177.73 3iio h TYR 39 N -0.18 0.55 -0.01 0.41 0.05 -0.37 -0.23 116.97 117.19 3iio h TYR 39 Ca 0.18 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3iio h TYR 39 Cb 0.46 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 3iio h TYR 39 CO -0.45 0.11 0.01 0.66 -1.05 0.00 0.00 178.16 177.44 3iio h SER 40 N 0.49 0.00 0.68 3.88 4.64 0.07 -1.09 113.55 122.21 3iio h SER 40 Ca 0.40 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.46 3iio h SER 40 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 3iio h SER 40 CO -0.37 0.00 -1.43 -0.33 -0.87 0.00 0.00 176.83 173.83 3iio h GLU 41 N 0.00 0.02 -0.01 4.77 5.08 -0.26 -3.35 114.58 120.83 3iio h GLU 41 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3iio h GLU 41 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3iio h GLU 41 CO -0.00 0.72 -0.22 0.44 -1.00 0.00 0.00 179.01 178.95 3iio n ILE 42 N -3.19 0.00 0.00 3.13 -5.35 -0.71 -4.97 119.36 108.28 3iio n ILE 42 Ca -0.11 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3iio n ILE 42 Cb 1.01 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 3iio n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iio n GLY 43 N 1.32 1.58 3.75 3.28 0.00 -0.94 -4.30 105.19 109.87 3iio n GLY 43 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3iio n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 44 N -2.00 3.09 0.01 -0.61 -1.09 -0.46 -4.91 121.20 115.23 3iio s ILE 44 Ca 0.00 0.99 -0.08 0.00 -2.23 0.00 0.00 60.65 59.33 3iio s ILE 44 Cb 0.00 -3.63 -0.30 0.00 -1.58 0.00 0.00 42.46 36.95 3iio s ILE 44 CO 0.00 0.19 0.89 0.44 -1.23 0.00 0.00 174.94 175.24 3iio h ASP 45 N 4.44 0.54 -5.04 3.58 3.32 -1.65 -3.41 116.42 118.20 3iio h ASP 45 Ca -0.46 -0.69 -0.10 0.00 0.02 0.00 0.00 57.03 55.79 3iio h ASP 45 Cb 1.22 -0.18 -0.18 0.00 0.22 0.00 0.00 39.33 40.41 3iio h ASP 45 CO 0.71 1.56 -0.28 -1.61 -1.72 0.00 0.00 179.24 177.90 3iio s GLU 46 N -2.61 0.75 0.05 3.56 2.02 -1.24 -4.30 118.70 116.93 3iio s GLU 46 Ca -0.10 -0.46 0.08 0.00 0.02 0.00 0.00 54.97 54.52 3iio s GLU 46 Cb 0.06 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.58 3iio s GLU 46 CO 0.88 -0.23 -0.21 -0.51 0.02 0.00 0.00 175.26 175.21 3iio s LEU 47 N -1.89 2.46 -0.03 1.80 1.43 -0.79 -2.20 118.68 119.45 3iio s LEU 47 Ca -0.07 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3iio s LEU 47 Cb -0.02 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3iio s LEU 47 CO -0.02 0.25 -0.20 -0.44 0.23 0.00 0.00 176.35 176.17 3iio s SER 48 N -1.48 2.43 -0.18 2.29 0.01 -0.15 -0.96 113.70 115.67 3iio s SER 48 Ca 0.14 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 3iio s SER 48 Cb -0.10 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.72 3iio s SER 48 CO 0.05 0.23 -0.14 -0.36 0.41 0.00 0.00 173.24 173.43 3iio s PHE 49 N -0.33 2.83 -0.30 2.43 0.08 -0.58 -0.15 117.98 121.97 3iio s PHE 49 Ca 0.04 -1.22 -0.02 0.00 0.12 0.00 0.00 56.93 55.86 3iio s PHE 49 Cb -0.09 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3iio s PHE 49 CO 0.00 -0.61 0.00 -0.46 -0.10 0.00 0.00 175.22 174.06 3iio s TRP 50 N 1.17 3.27 -0.09 0.36 -0.11 -0.48 -0.42 118.94 122.64 3iio s TRP 50 Ca 0.01 -1.87 -0.17 0.00 1.22 0.00 0.00 56.10 55.29 3iio s TRP 50 Cb -0.14 -2.12 -0.05 0.00 -1.50 0.00 0.00 33.47 29.66 3iio s TRP 50 CO -0.05 -0.80 0.44 0.34 -4.62 0.00 0.00 176.95 172.25 3iio s ASP 51 N 1.26 6.70 -0.14 5.86 2.15 -0.23 -0.50 116.67 131.77 3iio s ASP 51 Ca -0.05 0.83 0.15 0.00 0.43 0.00 0.00 52.55 53.90 3iio s ASP 51 Cb -0.20 -2.26 0.35 0.00 -0.30 0.00 0.00 42.92 40.50 3iio s ASP 51 CO -0.01 0.11 1.17 2.30 -0.17 0.00 0.00 175.17 178.57 3iio n ILE 52 N 3.10 1.60 -1.64 4.11 -5.35 0.44 -4.47 119.36 117.16 3iio n ILE 52 Ca -0.10 -2.36 -0.42 0.00 -0.27 0.00 0.00 62.75 59.60 3iio n ILE 52 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 3iio n ILE 52 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3iio s THR 53 N -2.38 3.00 -0.99 7.28 2.01 -1.26 -4.86 115.64 118.45 3iio s THR 53 Ca 0.32 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 3iio s THR 53 Cb 0.31 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.91 3iio s THR 53 CO -0.05 -0.00 1.32 0.00 -0.69 0.00 0.00 174.62 175.20 3iio s ALA 54 N 6.01 3.01 0.00 7.40 0.00 -1.26 -4.59 121.76 132.33 3iio s ALA 54 Ca 0.94 -2.49 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3iio s ALA 54 Cb -0.39 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.40 3iio s ALA 54 CO 0.39 -3.34 0.00 0.43 0.00 0.00 0.00 175.76 173.24 3iio n SER 55 N 7.87 0.00 -0.46 0.00 7.64 -1.26 -4.70 113.62 122.71 3iio n SER 55 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3iio n SER 55 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3iio n SER 55 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3iio n VAL 56 N 0.00 0.00 1.12 0.44 0.24 -1.26 -4.52 118.33 114.35 3iio n VAL 56 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 3iio n VAL 56 Cb 0.00 -0.36 0.31 0.00 -1.47 0.00 0.00 33.84 32.32 3iio n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3iio n GLU 57 N 0.07 0.40 -0.02 7.34 -0.58 -1.26 -4.53 120.64 122.05 3iio n GLU 57 Ca 0.00 -0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.42 3iio n GLU 57 Cb 0.18 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 3iio n GLU 57 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3iio h LYS 58 N 0.57 -0.21 0.11 3.49 3.64 -1.81 -0.18 116.57 122.18 3iio h LYS 58 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3iio h LYS 58 Cb 0.50 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3iio h LYS 58 CO 0.00 -0.14 -0.05 -0.09 -2.27 0.00 0.00 179.45 176.90 3iio h ARG 59 N -0.22 -0.15 -0.11 1.90 2.43 -1.94 -0.32 114.38 115.97 3iio h ARG 59 Ca 0.12 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3iio h ARG 59 Cb 0.39 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3iio h ARG 59 CO -0.31 -0.06 -0.35 -0.22 -1.51 0.00 0.00 179.97 177.52 3iio h LYS 60 N -0.19 0.22 -0.42 0.20 3.64 -1.85 -2.29 116.57 115.88 3iio h LYS 60 Ca -0.02 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 3iio h LYS 60 Cb 0.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3iio h LYS 60 CO 0.03 0.55 -0.22 1.15 -2.27 0.00 0.00 179.45 178.69 3iio h THR 61 N 0.19 1.28 -0.48 1.00 2.02 -0.61 -0.83 112.91 115.48 3iio h THR 61 Ca 0.02 -1.37 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 3iio h THR 61 Cb 0.71 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3iio h THR 61 CO 0.05 0.46 -0.05 0.24 0.37 0.00 0.00 175.52 176.59 3iio h MET 62 N 0.71 0.89 -0.16 6.66 2.86 -0.96 -1.67 114.93 123.25 3iio h MET 62 Ca 0.09 -0.31 -0.16 0.00 -2.06 0.00 0.00 59.70 57.26 3iio h MET 62 Cb 0.79 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3iio h MET 62 CO 0.06 0.95 -0.56 -0.07 1.06 0.00 0.00 176.91 178.36 3iio h LEU 63 N 0.74 0.56 -0.68 1.22 3.38 -1.36 -2.21 115.31 116.96 3iio h LEU 63 Ca 0.13 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3iio h LEU 63 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3iio h LEU 63 CO 0.04 1.00 -0.29 -0.33 0.09 0.00 0.00 178.44 178.95 3iio h GLU 64 N 0.38 0.70 0.25 1.13 5.08 -1.10 -2.58 114.58 118.43 3iio h GLU 64 Ca 0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3iio h GLU 64 Cb 1.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3iio h GLU 64 CO 0.10 0.91 -0.12 1.25 -1.00 0.00 0.00 179.01 180.15 3iio h LEU 65 N 0.60 -0.28 -1.18 1.33 5.85 -1.09 -1.63 115.31 118.91 3iio h LEU 65 Ca 0.07 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3iio h LEU 65 Cb 0.80 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3iio h LEU 65 CO 0.07 -0.13 -0.40 -0.37 -0.34 0.00 0.00 178.44 177.26 3iio h VAL 66 N -0.41 1.24 -0.25 1.05 -1.51 -1.43 0.39 116.25 115.34 3iio h VAL 66 Ca -0.03 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 63.99 3iio h VAL 66 Cb 0.31 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3iio h VAL 66 CO 0.06 0.39 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.69 3iio h GLU 67 N 0.00 0.45 -0.10 5.19 4.81 -1.40 -0.39 114.58 123.13 3iio h GLU 67 Ca -0.00 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 58.86 3iio h GLU 67 Cb 0.73 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.08 3iio h GLU 67 CO 0.05 0.63 -0.81 -0.22 -0.73 0.00 0.00 179.01 177.94 3iio h LYS 68 N 0.21 0.62 -0.14 1.92 1.63 -0.46 -2.99 116.57 117.36 3iio h LYS 68 Ca 0.07 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 3iio h LYS 68 Cb 0.44 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3iio h LYS 68 CO 0.02 1.15 0.03 0.28 -3.45 0.00 0.00 179.45 177.48 3iio h VAL 69 N 0.41 1.21 0.00 2.00 2.07 -0.28 -3.19 116.25 118.46 3iio h VAL 69 Ca -0.06 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3iio h VAL 69 Cb 1.42 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3iio h VAL 69 CO 0.15 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.83 3iio h ALA 70 N 0.82 1.59 -0.71 1.67 0.00 -1.09 -1.67 119.26 119.87 3iio h ALA 70 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iio h ALA 70 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3iio h ALA 70 CO 0.00 0.14 0.37 1.49 0.00 0.00 0.00 179.25 181.25 3iio h GLU 71 N 0.00 1.01 -0.30 0.00 4.81 -1.51 -3.34 114.58 115.25 3iio h GLU 71 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3iio h GLU 71 Cb 0.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3iio h GLU 71 CO 0.01 0.78 0.00 1.04 -0.73 0.00 0.00 179.01 180.11 3iio n GLN 72 N -4.45 2.89 -3.74 1.92 6.02 -0.65 -4.98 117.38 114.38 3iio n GLN 72 Ca 0.06 -2.33 -0.12 0.00 -0.01 0.00 0.00 57.00 54.60 3iio n GLN 72 Cb 0.11 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.77 3iio n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iio s ILE 73 N -1.69 -0.03 -0.27 5.09 1.01 -1.06 -4.78 121.20 119.47 3iio s ILE 73 Ca 0.30 0.11 0.11 0.00 0.00 0.00 0.00 60.65 61.16 3iio s ILE 73 Cb 0.20 -0.38 -0.14 0.00 0.01 0.00 0.00 42.46 42.15 3iio s ILE 73 CO 0.13 0.04 0.35 0.47 0.00 0.00 0.00 174.94 175.93 3iio n ASP 74 N 3.91 1.44 -4.89 3.58 8.00 -1.26 -4.75 116.55 122.57 3iio n ASP 74 Ca -0.22 -0.40 -0.29 0.00 0.71 0.00 0.00 54.79 54.59 3iio n ASP 74 Cb 0.54 1.23 -0.00 0.00 -0.02 0.00 0.00 41.12 42.87 3iio n ASP 74 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3iio s ILE 75 N -2.35 4.82 0.46 0.53 -4.36 -1.26 -5.05 121.20 114.00 3iio s ILE 75 Ca 0.00 0.48 -0.24 0.00 -0.26 0.00 0.00 60.65 60.64 3iio s ILE 75 Cb 0.07 -3.85 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 3iio s ILE 75 CO 0.44 -0.93 1.28 -2.84 0.24 0.00 0.00 174.94 173.14 3iio s PRO 76 N -4.81 3.66 0.03 0.37 0.02 -1.26 -4.92 135.00 128.10 3iio s PRO 76 Ca 0.50 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.62 3iio s PRO 76 Cb -0.11 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 3iio s PRO 76 CO 0.47 -0.72 -0.06 -0.59 -0.33 0.00 0.00 177.00 175.77 3iio s PHE 77 N -1.36 0.54 -0.03 6.54 -0.12 -1.26 -1.89 117.98 120.40 3iio s PHE 77 Ca 0.63 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 3iio s PHE 77 Cb -0.36 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 3iio s PHE 77 CO 0.45 -0.11 -0.07 0.99 -0.05 0.00 0.00 175.22 176.42 3iio s THR 78 N -1.33 3.63 0.01 -4.49 2.01 -0.13 -2.36 115.64 112.98 3iio s THR 78 Ca -0.11 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.26 3iio s THR 78 Cb -0.10 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3iio s THR 78 CO -0.00 0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 3iio s VAL 79 N -0.91 4.05 0.36 3.82 1.01 -0.69 -1.53 120.40 126.52 3iio s VAL 79 Ca 0.15 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3iio s VAL 79 Cb -0.11 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3iio s VAL 79 CO 0.05 0.36 0.51 -0.83 0.00 0.00 0.00 175.10 175.19 3iio s GLY 80 N -1.59 1.48 0.00 4.51 0.00 0.44 -1.25 107.32 110.90 3iio s GLY 80 Ca 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3iio s GLY 80 CO 0.10 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.86 3iio n GLY 81 N -0.59 0.66 2.06 0.20 0.00 -1.26 -1.07 105.19 105.19 3iio n GLY 81 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 3iio n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iio n GLY 82 N 0.77 0.41 3.55 -0.02 0.00 -1.26 -4.64 105.19 104.00 3iio n GLY 82 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3iio n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 83 N -2.11 4.78 -0.96 -0.61 1.01 -1.26 -4.91 121.20 117.13 3iio s ILE 83 Ca 0.00 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.17 3iio s ILE 83 Cb 0.00 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.31 3iio s ILE 83 CO 0.00 -0.53 0.70 1.41 0.00 0.00 0.00 174.94 176.52 3iio n HIS 84 N 6.36 0.00 -3.72 3.97 8.25 -1.26 -4.68 115.22 124.15 3iio n HIS 84 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3iio n HIS 84 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 3iio n HIS 84 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3iio s ASP 85 N -0.88 -0.36 0.21 0.41 1.47 -1.26 -4.95 116.67 111.32 3iio s ASP 85 Ca 0.09 -0.41 -0.09 0.00 1.18 0.00 0.00 52.55 53.32 3iio s ASP 85 Cb 0.07 0.68 0.26 0.00 -0.34 0.00 0.00 42.92 43.60 3iio s ASP 85 CO 0.14 -1.22 1.79 0.15 0.68 0.00 0.00 175.17 176.71 3iio h PHE 86 N 2.00 0.60 -0.70 2.11 3.57 -1.96 -2.46 116.94 120.11 3iio h PHE 86 Ca -0.24 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.22 3iio h PHE 86 Cb 1.27 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3iio h PHE 86 CO 0.36 0.25 0.19 0.93 -2.23 0.00 0.00 178.31 177.82 3iio h GLU 87 N 0.60 1.10 -0.11 1.11 3.07 -1.98 0.88 114.58 119.25 3iio h GLU 87 Ca 0.31 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3iio h GLU 87 Cb 0.26 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3iio h GLU 87 CO -0.22 0.96 0.06 1.15 -1.40 0.00 0.00 179.01 179.56 3iio h THR 88 N 1.04 1.09 -0.27 1.13 2.02 -1.96 -2.26 112.91 113.70 3iio h THR 88 Ca 0.22 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3iio h THR 88 Cb 0.34 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3iio h THR 88 CO -0.00 0.08 0.07 0.00 0.37 0.00 0.00 175.52 176.04 3iio h ALA 89 N 0.95 0.36 -0.58 6.16 0.00 -0.95 -2.53 119.26 122.68 3iio h ALA 89 Ca 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iio h ALA 89 Cb 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3iio h ALA 89 CO -0.01 0.02 0.22 1.03 0.00 0.00 0.00 179.25 180.51 3iio h SER 90 N 0.28 0.22 -0.53 0.00 0.87 0.76 -0.98 113.55 114.16 3iio h SER 90 Ca 0.09 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 3iio h SER 90 Cb 0.28 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3iio h SER 90 CO 0.00 0.14 0.01 -0.33 -0.53 0.00 0.00 176.83 176.12 3iio h GLU 91 N 0.40 0.93 -0.41 2.24 4.39 -1.37 0.41 114.58 121.16 3iio h GLU 91 Ca 0.29 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3iio h GLU 91 Cb 0.34 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3iio h GLU 91 CO -0.29 0.94 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.31 3iio h LEU 92 N 0.81 0.74 -0.24 1.33 3.38 -1.22 -0.26 115.31 119.85 3iio h LEU 92 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3iio h LEU 92 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3iio h LEU 92 CO 0.03 0.88 -0.13 0.40 0.09 0.00 0.00 178.44 179.71 3iio h ILE 93 N 0.68 1.30 0.00 1.22 2.04 -1.04 -2.14 117.51 119.56 3iio h ILE 93 Ca 0.11 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 3iio h ILE 93 Cb 0.60 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3iio h ILE 93 CO 0.04 0.38 -0.16 -0.07 0.00 0.00 0.00 178.15 178.34 3iio h LEU 94 N 0.23 0.00 0.00 1.44 3.38 -0.80 -1.49 115.31 118.07 3iio h LEU 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iio h LEU 94 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3iio h LEU 94 CO 0.04 0.16 0.00 -1.14 0.09 0.00 0.00 178.44 177.59 3iio n ARG 95 N -4.00 0.20 0.00 1.13 3.00 -0.12 -4.91 116.66 111.97 3iio n ARG 95 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3iio n ARG 95 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.20 3iio n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iio n GLY 96 N 1.18 0.91 3.74 5.14 0.00 -0.56 -3.97 105.19 111.62 3iio n GLY 96 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3iio n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 97 N -1.80 3.45 0.09 4.61 0.00 -0.82 -4.74 121.76 122.56 3iio s ALA 97 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3iio s ALA 97 Cb 0.00 -3.42 -0.25 0.00 0.00 0.00 0.00 23.12 19.44 3iio s ALA 97 CO 0.00 -0.40 1.20 -0.44 0.00 0.00 0.00 175.76 176.12 3iio h ASP 98 N 5.23 0.25 -5.11 0.00 3.32 -1.78 -3.39 116.42 114.93 3iio h ASP 98 Ca -0.45 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.21 3iio h ASP 98 Cb 1.21 -0.08 -0.17 0.00 0.22 0.00 0.00 39.33 40.51 3iio h ASP 98 CO 0.75 1.21 -0.57 -0.54 -1.72 0.00 0.00 179.24 178.37 3iio s LYS 99 N -2.68 0.57 0.08 3.56 1.02 -1.05 -4.33 119.74 116.92 3iio s LYS 99 Ca -0.02 -0.84 0.10 0.00 0.02 0.00 0.00 55.97 55.23 3iio s LYS 99 Cb 0.08 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.58 3iio s LYS 99 CO 0.86 -0.14 -0.25 0.14 -0.92 0.00 0.00 175.35 175.04 3iio s VAL 100 N -2.80 2.08 -0.15 3.17 -7.23 0.07 -1.71 120.40 113.85 3iio s VAL 100 Ca -0.03 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 3iio s VAL 100 Cb -0.00 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3iio s VAL 100 CO -0.06 0.20 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.20 3iio s GLU 101 N -1.61 3.61 0.05 4.82 2.12 -0.38 -1.26 118.70 126.05 3iio s GLU 101 Ca 0.12 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 54.99 3iio s GLU 101 Cb -0.10 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 3iio s GLU 101 CO 0.04 0.29 -0.15 0.96 -0.54 0.00 0.00 175.26 175.85 3iio s ILE 102 N 0.23 1.22 0.00 -3.70 -4.36 -0.51 -4.33 121.20 109.75 3iio s ILE 102 Ca -0.02 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 3iio s ILE 102 Cb -0.14 -1.12 0.00 0.00 1.25 0.00 0.00 42.46 42.45 3iio s ILE 102 CO 0.03 -0.04 0.00 -3.20 0.24 0.00 0.00 174.94 171.97 3iio n ASN 103 N 1.66 0.00 -0.24 4.36 2.85 -1.26 -1.49 115.26 121.13 3iio n ASN 103 Ca -0.19 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.31 3iio n ASN 103 Cb 0.54 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.72 3iio n ASN 103 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3iio h THR 104 N 0.00 0.72 -0.08 -0.44 2.02 -1.93 -1.38 112.91 111.82 3iio h THR 104 Ca 0.00 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3iio h THR 104 Cb 0.00 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3iio h THR 104 CO 0.00 0.08 -0.30 0.00 0.37 0.00 0.00 175.52 175.68 3iio h ALA 105 N 1.49 1.36 -0.24 6.16 0.00 -1.92 0.33 119.26 126.43 3iio h ALA 105 Ca 0.38 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3iio h ALA 105 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iio h ALA 105 CO -0.36 0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 3iio h ALA 106 N 1.57 0.34 -0.27 0.00 0.00 -1.51 -0.57 119.26 118.81 3iio h ALA 106 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3iio h ALA 106 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3iio h ALA 106 CO 0.04 0.20 0.07 0.28 0.00 0.00 0.00 179.25 179.84 3iio h VAL 107 N 0.23 1.21 0.00 0.00 2.07 -0.84 -2.44 116.25 116.48 3iio h VAL 107 Ca 0.05 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 3iio h VAL 107 Cb 0.62 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3iio h VAL 107 CO 0.04 0.23 -0.64 -0.33 0.02 0.00 0.00 177.57 176.89 3iio h GLU 108 N 0.28 0.00 -2.39 1.57 5.08 -0.98 -3.39 114.58 114.75 3iio h GLU 108 Ca 0.09 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.86 3iio h GLU 108 Cb 0.28 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.15 3iio h GLU 108 CO 0.00 0.64 -0.96 1.21 -1.00 0.00 0.00 179.01 178.89 3iio s ASN 109 N -6.81 1.60 0.56 1.42 2.47 -0.22 -4.98 114.94 108.98 3iio s ASN 109 Ca -0.01 -2.95 0.38 0.00 0.42 0.00 0.00 52.86 50.70 3iio s ASN 109 Cb 0.12 -0.43 2.02 0.00 -1.45 0.00 0.00 41.25 41.52 3iio s ASN 109 CO 0.76 -0.19 2.15 -0.65 -3.72 0.00 0.00 177.10 175.45 3iio h PRO 110 N 5.82 0.00 -0.41 0.43 0.11 -1.64 -1.54 132.00 134.77 3iio h PRO 110 Ca 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3iio h PRO 110 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3iio h PRO 110 CO 0.36 0.00 0.13 0.77 -0.21 0.00 0.00 178.00 179.05 3iio h SER 111 N 0.00 0.54 -0.98 -2.05 0.02 -1.92 -2.53 113.55 106.64 3iio h SER 111 Ca 0.00 -0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.04 3iio h SER 111 Cb 0.03 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 62.34 3iio h SER 111 CO 0.00 0.52 0.61 0.25 -1.14 0.00 0.00 176.83 177.07 3iio h LEU 112 N 0.59 0.78 0.08 5.07 5.85 -1.61 0.28 115.31 126.36 3iio h LEU 112 Ca 0.14 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3iio h LEU 112 Cb 0.17 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3iio h LEU 112 CO -0.01 0.35 -0.34 0.40 -0.34 0.00 0.00 178.44 178.50 3iio h ILE 113 N 0.80 0.28 -0.47 4.05 2.04 -1.63 -2.42 117.51 120.16 3iio h ILE 113 Ca 0.52 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.37 3iio h ILE 113 Cb 0.76 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3iio h ILE 113 CO -0.29 0.00 0.27 0.74 0.00 0.00 0.00 178.15 178.86 3iio h THR 114 N -0.55 1.16 -0.18 -0.27 2.02 -1.14 -0.96 112.91 112.99 3iio h THR 114 Ca 0.04 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.87 3iio h THR 114 Cb 0.59 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 3iio h THR 114 CO -0.22 0.17 -0.41 1.56 0.37 0.00 0.00 175.52 176.98 3iio h GLN 115 N 0.63 -0.44 -0.35 6.66 4.20 -0.43 0.58 115.11 125.95 3iio h GLN 115 Ca 0.17 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3iio h GLN 115 Cb 0.03 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3iio h GLN 115 CO -0.03 -0.29 0.11 0.82 -0.67 0.00 0.00 178.83 178.77 3iio h ILE 116 N -0.46 1.21 -0.39 2.54 2.04 -1.43 -3.00 117.51 118.02 3iio h ILE 116 Ca 0.09 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3iio h ILE 116 Cb 0.61 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3iio h ILE 116 CO -0.42 0.24 0.10 0.00 0.00 0.00 0.00 178.15 178.07 3iio h ALA 117 N 0.95 1.45 -0.03 1.87 0.00 -0.82 -0.08 119.26 122.59 3iio h ALA 117 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3iio h ALA 117 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iio h ALA 117 CO -0.00 0.41 -0.64 1.96 0.00 0.00 0.00 179.25 180.97 3iio h GLN 118 N 0.57 0.13 0.00 0.00 4.20 -0.83 0.19 115.11 119.37 3iio h GLN 118 Ca 0.13 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3iio h GLN 118 Cb 0.20 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3iio h GLN 118 CO -0.01 0.73 -0.32 1.15 -0.67 0.00 0.00 178.83 179.71 3iio h THR 119 N 0.09 1.09 0.00 -0.54 2.02 -1.37 -3.42 112.91 110.78 3iio h THR 119 Ca -0.01 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3iio h THR 119 Cb 1.15 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3iio h THR 119 CO 0.09 0.37 -1.20 0.49 0.37 0.00 0.00 175.52 175.64 3iio n PHE 120 N -4.61 0.00 0.00 3.16 3.72 -0.06 -5.09 117.46 114.59 3iio n PHE 120 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3iio n PHE 120 Cb 0.41 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3iio n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iio n GLY 121 N 1.45 1.55 0.37 1.37 0.00 0.67 -4.64 105.19 105.95 3iio n GLY 121 Ca 0.02 -1.66 0.17 0.00 0.00 0.00 0.00 46.02 44.55 3iio n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3iio h SER 122 N 0.00 0.17 0.27 1.61 0.02 -1.77 -2.04 113.55 111.81 3iio h SER 122 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3iio h SER 122 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3iio h SER 122 CO 0.00 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 3iio n GLN 123 N -4.43 0.15 0.00 3.45 -0.00 -1.26 -1.40 117.38 113.89 3iio n GLN 123 Ca 0.11 0.19 0.11 0.00 -0.00 0.00 0.00 57.00 57.40 3iio n GLN 123 Cb 0.52 -1.50 0.01 0.00 -0.00 0.00 0.00 30.24 29.27 3iio n GLN 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3iio n ALA 124 N -1.32 3.69 -3.25 2.61 0.00 -0.77 -4.71 120.51 116.76 3iio n ALA 124 Ca 0.05 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 3iio n ALA 124 Cb 0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 3iio n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iio s VAL 125 N -2.55 3.77 -0.17 0.00 1.01 -0.49 -0.75 120.40 121.23 3iio s VAL 125 Ca 0.17 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3iio s VAL 125 Cb 0.18 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3iio s VAL 125 CO 0.61 -0.07 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 3iio s VAL 126 N 1.43 3.97 -0.29 2.92 1.01 -0.39 -1.02 120.40 128.03 3iio s VAL 126 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 3iio s VAL 126 Cb -0.19 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3iio s VAL 126 CO 0.02 0.48 0.12 -0.69 0.00 0.00 0.00 175.10 175.03 3iio s VAL 127 N 0.49 4.47 -0.33 2.92 1.01 -0.37 -1.43 120.40 127.16 3iio s VAL 127 Ca -0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3iio s VAL 127 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3iio s VAL 127 CO 0.02 0.15 1.20 -0.47 0.00 0.00 0.00 175.10 176.01 3iio s TYR 128 N 1.60 2.86 -0.38 5.22 5.04 -0.56 -0.76 117.35 130.37 3iio s TYR 128 Ca 0.05 0.96 -0.09 0.00 -2.44 0.00 0.00 57.07 55.55 3iio s TYR 128 Cb -0.17 -3.91 0.05 0.00 0.35 0.00 0.00 41.96 38.28 3iio s TYR 128 CO 0.05 -1.33 0.20 0.42 -1.34 0.00 0.00 175.55 173.55 3iio s ILE 129 N 4.16 4.25 -0.20 3.14 1.01 0.18 -4.55 121.20 129.18 3iio s ILE 129 Ca 0.51 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 3iio s ILE 129 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3iio s ILE 129 CO 0.22 -0.32 0.74 0.00 0.00 0.00 0.00 174.94 175.58 3iio s ALA 130 N 1.47 3.56 0.10 9.38 0.00 -1.26 -1.41 121.76 133.59 3iio s ALA 130 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3iio s ALA 130 Cb -0.21 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3iio s ALA 130 CO 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 175.76 175.03 3iio s ALA 131 N 2.19 1.16 -0.09 0.00 0.00 -0.56 -0.82 121.76 123.65 3iio s ALA 131 Ca 0.33 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 3iio s ALA 131 Cb -0.16 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.02 3iio s ALA 131 CO 0.10 -0.04 0.34 0.21 0.00 0.00 0.00 175.76 176.38 3iio s LYS 132 N -2.88 0.52 0.02 0.00 2.20 -0.65 -0.77 119.74 118.18 3iio s LYS 132 Ca 0.07 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 3iio s LYS 132 Cb -0.02 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3iio s LYS 132 CO 0.00 -0.10 1.24 1.03 -0.36 0.00 0.00 175.35 177.15 3iio s ARG 133 N -0.40 4.38 -0.08 4.03 0.52 -1.26 -0.34 118.95 125.80 3iio s ARG 133 Ca -0.05 1.79 -0.03 0.00 -0.52 0.00 0.00 55.73 56.92 3iio s ARG 133 Cb -0.03 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 32.04 3iio s ARG 133 CO 0.02 -0.36 0.06 0.08 0.02 0.00 0.00 175.30 175.12 3iio s VAL 134 N 1.56 -0.05 -1.38 3.52 1.01 0.89 -4.89 120.40 121.06 3iio s VAL 134 Ca 0.59 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 3iio s VAL 134 Cb -0.29 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3iio s VAL 134 CO 0.27 0.05 0.36 0.47 0.00 0.00 0.00 175.10 176.25 3iio n ASP 135 N 5.28 -1.70 0.00 3.32 8.00 -1.26 -1.34 116.55 128.85 3iio n ASP 135 Ca -0.05 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3iio n ASP 135 Cb 0.50 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 3iio n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iio n GLY 136 N -2.33 1.68 3.57 0.44 0.00 -1.26 -5.00 105.19 102.29 3iio n GLY 136 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3iio n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iio s GLU 137 N -0.09 2.99 -0.09 1.61 0.41 -0.45 -5.09 118.70 118.00 3iio s GLU 137 Ca 0.00 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 3iio s GLU 137 Cb 0.00 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.63 3iio s GLU 137 CO 0.00 0.57 1.49 -0.06 -0.49 0.00 0.00 175.26 176.76 3iio s PHE 138 N -0.54 2.39 0.04 1.61 0.08 -1.26 -0.08 117.98 120.22 3iio s PHE 138 Ca 0.08 0.55 0.08 0.00 0.12 0.00 0.00 56.93 57.76 3iio s PHE 138 Cb -0.12 -3.74 -0.02 0.00 -0.57 0.00 0.00 43.02 38.56 3iio s PHE 138 CO 0.02 -2.93 -0.22 -1.64 -0.10 0.00 0.00 175.22 170.35 3iio s MET 139 N 3.64 1.50 0.01 0.44 -1.94 0.54 -1.95 119.30 121.54 3iio s MET 139 Ca 0.66 -0.95 -0.30 0.00 -1.71 0.00 0.00 55.69 53.38 3iio s MET 139 Cb -0.29 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 3iio s MET 139 CO 0.24 0.42 1.02 0.08 -0.01 0.00 0.00 175.02 176.76 3iio s VAL 140 N -0.77 4.73 0.04 -6.03 1.01 -0.20 -1.64 120.40 117.53 3iio s VAL 140 Ca 0.08 1.96 0.09 0.00 0.00 0.00 0.00 61.98 64.11 3iio s VAL 140 Cb -0.09 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3iio s VAL 140 CO 0.02 0.15 -0.25 -0.36 0.00 0.00 0.00 175.10 174.66 3iio s PHE 141 N 1.02 2.37 0.19 5.22 0.40 0.00 -1.84 117.98 125.35 3iio s PHE 141 Ca 0.53 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3iio s PHE 141 Cb -0.22 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 41.89 3iio s PHE 141 CO 0.28 0.15 0.04 0.25 0.70 0.00 0.00 175.22 176.64 3iio n THR 142 N 1.75 0.00 -3.57 0.64 -2.24 -0.32 -4.34 114.28 106.20 3iio n THR 142 Ca -0.17 -1.03 -0.24 0.00 -2.27 0.00 0.00 64.05 60.35 3iio n THR 142 Cb 0.52 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3iio n THR 142 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iio n TYR 143 N -0.46 -2.16 -3.82 4.78 4.01 -1.26 -1.62 117.16 116.64 3iio n TYR 143 Ca -0.05 0.67 -0.25 0.00 -0.16 0.00 0.00 57.90 58.10 3iio n TYR 143 Cb 0.27 -3.45 0.02 0.00 -0.31 0.00 0.00 39.34 35.87 3iio n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3iio n SER 144 N -2.50 -2.44 0.00 7.72 7.64 -1.26 -1.98 113.62 120.80 3iio n SER 144 Ca -0.12 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.93 3iio n SER 144 Cb 0.59 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 3iio n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iio n GLY 145 N -1.66 0.36 0.03 0.23 0.00 -1.10 -4.88 105.19 98.17 3iio n GLY 145 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3iio n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iio n GLU 146 N -1.53 0.18 -3.96 1.61 1.02 -0.84 -4.83 120.64 112.29 3iio n GLU 146 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 3iio n GLU 146 Cb 0.16 -1.57 -0.17 0.00 -0.02 0.00 0.00 31.44 29.84 3iio n GLU 146 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iio s LYS 147 N -3.12 1.87 0.03 3.49 2.20 -0.64 -4.98 119.74 118.59 3iio s LYS 147 Ca 0.07 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 3iio s LYS 147 Cb 0.15 -1.91 -0.07 0.00 -1.51 0.00 0.00 37.83 34.50 3iio s LYS 147 CO 0.77 -0.29 1.55 1.21 -0.36 0.00 0.00 175.35 178.23 3iio s ASN 148 N 1.59 6.71 0.16 1.43 3.84 -1.26 -1.18 114.94 126.22 3iio s ASN 148 Ca 0.04 2.31 0.24 0.00 0.21 0.00 0.00 52.86 55.66 3iio s ASN 148 Cb -0.13 -2.56 0.32 0.00 -0.55 0.00 0.00 41.25 38.33 3iio s ASN 148 CO -0.09 -0.83 1.32 0.71 -2.79 0.00 0.00 177.10 175.43 3iio h THR 149 N 4.94 0.00 0.00 -5.21 1.35 -1.74 -3.48 112.91 108.77 3iio h THR 149 Ca -0.40 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3iio h THR 149 Cb 1.19 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3iio h THR 149 CO 0.92 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 3iio n GLY 150 N 1.30 0.89 3.67 5.82 0.00 -1.26 -5.04 105.19 110.58 3iio n GLY 150 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3iio n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 151 N -3.55 5.12 0.26 -0.61 1.01 -1.26 -4.99 121.20 117.18 3iio s ILE 151 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 3iio s ILE 151 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 3iio s ILE 151 CO 0.00 0.21 1.47 -0.76 0.00 0.00 0.00 174.94 175.86 3iio s LEU 152 N 1.44 4.38 0.28 2.97 1.43 -1.26 -1.04 118.68 126.87 3iio s LEU 152 Ca 0.24 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 3iio s LEU 152 Cb -0.15 -3.63 0.58 0.00 0.03 0.00 0.00 46.19 43.02 3iio s LEU 152 CO 0.10 -0.75 1.78 0.25 0.23 0.00 0.00 176.35 177.96 3iio h LEU 153 N 4.91 0.67 -1.26 1.79 5.85 -1.72 -1.67 115.31 123.88 3iio h LEU 153 Ca -0.46 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3iio h LEU 153 Cb 1.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3iio h LEU 153 CO 0.77 0.29 -0.17 0.08 -0.34 0.00 0.00 178.44 179.07 3iio h ARG 154 N 0.73 0.30 -0.06 1.25 0.11 -1.91 -2.20 114.38 112.60 3iio h ARG 154 Ca 0.50 -0.08 -0.22 0.00 0.10 0.00 0.00 59.98 60.27 3iio h ARG 154 Cb 0.68 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.73 3iio h ARG 154 CO -0.35 0.47 -0.86 -0.44 0.10 0.00 0.00 179.97 178.89 3iio h ASP 155 N 0.28 0.67 0.01 0.08 3.45 -1.71 -3.27 116.42 115.94 3iio h ASP 155 Ca 0.05 -0.49 -0.16 0.00 0.43 0.00 0.00 57.03 56.86 3iio h ASP 155 Cb 0.47 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 3iio h ASP 155 CO 0.03 1.27 -0.55 -0.25 -1.57 0.00 0.00 179.24 178.17 3iio h TRP 156 N 0.34 0.72 -0.72 4.55 -0.00 -1.16 -1.67 115.95 118.00 3iio h TRP 156 Ca -0.07 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.89 58.54 3iio h TRP 156 Cb 1.48 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 30.47 3iio h TRP 156 CO 0.07 0.99 0.34 0.28 -0.00 0.00 0.00 178.44 180.12 3iio h VAL 157 N 0.44 1.24 -0.09 2.65 2.07 -1.52 0.22 116.25 121.25 3iio h VAL 157 Ca 0.01 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3iio h VAL 157 Cb 1.10 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3iio h VAL 157 CO 0.10 0.28 -0.06 0.58 0.02 0.00 0.00 177.57 178.50 3iio h VAL 158 N 1.01 1.33 -0.14 2.57 2.07 -1.60 -2.73 116.25 118.78 3iio h VAL 158 Ca 0.25 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3iio h VAL 158 Cb 0.13 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3iio h VAL 158 CO -0.03 0.31 -0.10 -0.08 0.02 0.00 0.00 177.57 177.69 3iio h GLU 159 N -0.18 -0.10 -0.38 1.57 4.57 -0.90 -1.72 114.58 117.44 3iio h GLU 159 Ca 0.02 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3iio h GLU 159 Cb 0.52 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.06 3iio h GLU 159 CO 0.02 -0.07 -0.16 0.28 -1.18 0.00 0.00 179.01 177.90 3iio h VAL 160 N -0.11 0.49 -0.35 0.32 2.07 -0.62 0.62 116.25 118.67 3iio h VAL 160 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3iio h VAL 160 Cb 0.23 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3iio h VAL 160 CO -0.20 0.00 0.21 -0.08 0.02 0.00 0.00 177.57 177.51 3iio h GLU 161 N -0.09 0.48 -0.38 1.57 4.81 -1.34 -2.65 114.58 116.98 3iio h GLU 161 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3iio h GLU 161 Cb 0.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3iio h GLU 161 CO -0.44 0.38 0.15 -0.22 -0.73 0.00 0.00 179.01 178.15 3iio h LYS 162 N 0.45 0.54 0.00 1.92 3.64 -0.62 -1.19 116.57 121.31 3iio h LYS 162 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iio h LYS 162 Cb 0.03 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3iio h LYS 162 CO -0.02 0.45 0.00 0.54 -2.27 0.00 0.00 179.45 178.15 3iio n ARG 163 N -4.38 0.09 0.00 1.90 5.12 0.15 -4.91 116.66 114.63 3iio n ARG 163 Ca 0.02 0.28 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3iio n ARG 163 Cb 0.14 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 3iio n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iio n GLY 164 N 0.31 1.08 3.73 -0.13 0.00 -0.45 -2.86 105.19 106.87 3iio n GLY 164 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3iio n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio n ALA 165 N -1.77 1.52 -0.01 4.61 0.00 -1.01 -4.43 120.51 119.41 3iio n ALA 165 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 3iio n ALA 165 Cb 0.00 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 16.98 3iio n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iio n GLY 166 N 0.77 -0.71 3.46 0.00 0.00 -0.18 -4.81 105.19 103.72 3iio n GLY 166 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3iio n GLY 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iio s GLU 167 N -2.57 1.32 -0.11 1.61 -1.05 -1.12 -4.26 118.70 112.52 3iio s GLU 167 Ca -0.16 -1.06 0.02 0.00 -0.15 0.00 0.00 54.97 53.62 3iio s GLU 167 Cb 0.07 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 3iio s GLU 167 CO 0.78 -0.53 -0.18 0.42 0.95 0.00 0.00 175.26 176.70 3iio s ILE 168 N -3.94 1.68 -0.26 1.83 1.01 -0.66 -1.23 121.20 119.63 3iio s ILE 168 Ca 0.15 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 3iio s ILE 168 Cb 0.01 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3iio s ILE 168 CO 0.01 0.48 0.71 -0.69 0.00 0.00 0.00 174.94 175.44 3iio s VAL 169 N 0.82 4.92 -0.45 2.92 1.01 0.06 0.08 120.40 129.76 3iio s VAL 169 Ca -0.09 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 3iio s VAL 169 Cb -0.16 -4.02 0.08 0.00 0.00 0.00 0.00 36.38 32.29 3iio s VAL 169 CO 0.00 -0.04 0.34 -0.22 0.00 0.00 0.00 175.10 175.18 3iio s LEU 170 N 2.66 5.44 -0.24 3.92 2.96 0.20 0.47 118.68 134.08 3iio s LEU 170 Ca 0.29 -1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 3iio s LEU 170 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3iio s LEU 170 CO 0.09 -0.61 0.08 -0.83 -1.32 0.00 0.00 176.35 173.76 3iio s GLY 171 N 2.43 1.79 -0.42 7.98 0.00 -0.50 -1.38 107.32 117.22 3iio s GLY 171 Ca 0.04 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.45 3iio s GLY 171 CO 0.04 0.49 0.75 -0.45 0.00 0.00 0.00 173.10 173.93 3iio s SER 172 N 1.49 6.43 0.44 1.64 0.15 -1.14 -1.49 113.70 121.21 3iio s SER 172 Ca 0.06 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.81 3iio s SER 172 Cb -0.15 -2.37 0.96 0.00 -1.71 0.00 0.00 66.02 62.75 3iio s SER 172 CO 0.04 -0.82 1.99 0.40 1.20 0.00 0.00 173.24 176.05 3iio h ILE 173 N 5.88 1.13 0.00 6.45 2.04 -1.31 -0.07 117.51 131.63 3iio h ILE 173 Ca -0.25 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3iio h ILE 173 Cb 1.09 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3iio h ILE 173 CO 0.93 0.17 0.00 0.47 0.00 0.00 0.00 178.15 179.72 3iio n ASP 174 N -4.34 0.46 -0.49 1.72 8.00 -1.26 -1.87 116.55 118.76 3iio n ASP 174 Ca -0.02 0.69 0.06 0.00 0.71 0.00 0.00 54.79 56.23 3iio n ASP 174 Cb 0.22 -0.76 0.07 0.00 -0.02 0.00 0.00 41.12 40.63 3iio n ASP 174 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iio n ARG 175 N -2.10 1.15 -1.83 -1.24 5.12 -0.06 -4.97 116.66 112.73 3iio n ARG 175 Ca -0.00 -1.39 -0.42 0.00 -1.93 0.00 0.00 57.85 54.10 3iio n ARG 175 Cb 0.07 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.11 3iio n ARG 175 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iio s LEU 176 N -0.94 4.37 0.00 0.55 2.96 -0.78 -1.36 118.68 123.48 3iio s LEU 176 Ca 0.16 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 3iio s LEU 176 Cb 0.10 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.20 3iio s LEU 176 CO 0.14 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 3iio n GLY 177 N 3.93 0.29 3.96 7.98 0.00 -1.26 -5.01 105.19 115.08 3iio n GLY 177 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3iio n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iio s THR 178 N -1.76 4.58 -0.09 2.61 -4.23 -0.46 -5.03 115.64 111.25 3iio s THR 178 Ca 0.00 -0.62 0.17 0.00 -1.18 0.00 0.00 61.69 60.06 3iio s THR 178 Cb 0.00 -3.66 0.37 0.00 1.34 0.00 0.00 72.50 70.55 3iio s THR 178 CO 0.00 -0.39 1.17 0.29 -0.54 0.00 0.00 174.62 175.15 3iio n LYS 179 N -1.82 0.73 -0.10 3.99 4.76 -1.24 -3.73 118.16 120.76 3iio n LYS 179 Ca -0.02 -2.46 0.09 0.00 -2.87 0.00 0.00 58.31 53.04 3iio n LYS 179 Cb 0.57 -0.81 0.13 0.00 -1.84 0.00 0.00 35.03 33.08 3iio n LYS 179 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3iio n SER 180 N -0.35 2.85 0.00 4.39 3.41 -0.88 -3.87 113.62 119.17 3iio n SER 180 Ca 0.11 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 3iio n SER 180 Cb 0.88 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3iio n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iio n GLY 181 N 1.07 3.95 3.74 5.00 0.00 -0.08 -5.00 105.19 113.87 3iio n GLY 181 Ca 0.13 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3iio n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iio s TYR 182 N -2.24 2.23 -1.28 1.61 2.02 -1.26 -4.34 117.35 114.09 3iio s TYR 182 Ca 0.00 1.61 -0.18 0.00 -0.37 0.00 0.00 57.07 58.12 3iio s TYR 182 Cb 0.00 -3.30 0.04 0.00 -0.40 0.00 0.00 41.96 38.29 3iio s TYR 182 CO 0.00 -2.25 1.82 -3.47 -1.57 0.00 0.00 175.55 170.08 3iio n ASP 183 N -2.96 4.49 0.11 2.29 -0.08 -1.26 -4.77 116.55 114.36 3iio n ASP 183 Ca 0.12 -2.87 0.02 0.00 -1.51 0.00 0.00 54.79 50.54 3iio n ASP 183 Cb 0.51 -1.73 0.37 0.00 2.34 0.00 0.00 41.12 42.62 3iio n ASP 183 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3iio h THR 184 N 5.50 1.18 -0.68 5.18 1.35 -1.92 -1.01 112.91 122.52 3iio h THR 184 Ca 0.42 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 3iio h THR 184 Cb 0.86 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 3iio h THR 184 CO 1.47 0.26 0.36 -0.08 -0.25 0.00 0.00 175.52 177.27 3iio h GLU 185 N 0.25 0.95 -0.27 4.72 4.81 -1.99 0.13 114.58 123.18 3iio h GLU 185 Ca 0.05 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3iio h GLU 185 Cb 0.39 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3iio h GLU 185 CO 0.02 0.73 -0.17 1.98 -0.73 0.00 0.00 179.01 180.84 3iio h MET 186 N 0.93 0.59 -0.16 1.92 4.05 -1.79 -0.66 114.93 119.81 3iio h MET 186 Ca 0.24 -0.28 0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3iio h MET 186 Cb 0.06 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 3iio h MET 186 CO -0.04 0.86 -0.11 0.82 0.23 0.00 0.00 176.91 178.68 3iio h ILE 187 N 0.32 0.68 -0.81 1.77 2.04 -1.14 -1.15 117.51 119.23 3iio h ILE 187 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3iio h ILE 187 Cb 0.70 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3iio h ILE 187 CO 0.05 0.00 0.54 0.03 0.00 0.00 0.00 178.15 178.76 3iio h ARG 188 N -0.11 1.05 -0.52 2.37 3.08 -0.70 0.10 114.38 119.65 3iio h ARG 188 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3iio h ARG 188 Cb 0.25 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3iio h ARG 188 CO -0.23 0.70 0.30 0.35 -1.07 0.00 0.00 179.97 180.02 3iio h PHE 189 N 1.08 0.70 0.02 3.04 3.57 -0.76 -3.23 116.94 121.37 3iio h PHE 189 Ca 0.30 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.57 3iio h PHE 189 Cb -0.10 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 3iio h PHE 189 CO -0.00 0.50 -0.96 0.28 -2.23 0.00 0.00 178.31 175.90 3iio h VAL 190 N 0.70 1.48 -0.77 1.41 2.07 -0.85 -3.38 116.25 116.91 3iio h VAL 190 Ca 0.19 -2.68 0.15 0.00 0.82 0.00 0.00 66.70 65.18 3iio h VAL 190 Cb 0.01 2.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.23 3iio h VAL 190 CO -0.03 0.78 0.31 -0.09 0.02 0.00 0.00 177.57 178.56 3iio h ARG 191 N 0.13 0.43 0.00 1.57 9.65 -0.82 0.38 114.38 125.73 3iio h ARG 191 Ca -0.07 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3iio h ARG 191 Cb 1.61 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 3iio h ARG 191 CO 0.15 0.29 0.00 -1.35 2.80 0.00 0.00 179.97 181.86 3iio h PRO 192 N 0.45 0.00 0.00 0.20 0.11 -1.74 -3.27 132.00 127.75 3iio h PRO 192 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3iio h PRO 192 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3iio h PRO 192 CO -0.41 0.00 -0.39 1.28 -0.21 0.00 0.00 178.00 178.27 3iio n LEU 193 N -2.51 0.59 -3.78 2.35 4.77 0.12 -4.91 117.00 113.63 3iio n LEU 193 Ca 0.02 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3iio n LEU 193 Cb 0.25 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 3iio n LEU 193 CO 0.22 -0.04 -0.01 0.28 -1.33 0.00 0.00 177.39 176.51 3iio s THR 194 N -3.10 0.08 -1.92 -5.08 -1.32 -1.23 -4.64 115.64 98.43 3iio s THR 194 Ca 0.09 -0.63 0.19 0.00 -1.21 0.00 0.00 61.69 60.13 3iio s THR 194 Cb 0.15 -0.76 0.04 0.00 -1.51 0.00 0.00 72.50 70.42 3iio s THR 194 CO 0.66 -0.35 1.00 0.35 -2.21 0.00 0.00 174.62 174.07 3iio n THR 195 N 0.95 0.00 -2.46 5.08 -2.24 -1.26 -4.88 114.28 109.47 3iio n THR 195 Ca -0.20 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 3iio n THR 195 Cb 0.58 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 3iio n THR 195 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iio s LEU 196 N -2.04 3.79 0.23 3.22 1.43 -1.26 -5.00 118.68 119.05 3iio s LEU 196 Ca 0.18 1.92 -0.31 0.00 -1.03 0.00 0.00 54.13 54.88 3iio s LEU 196 Cb 0.15 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.68 3iio s LEU 196 CO 0.40 -0.85 1.46 -2.65 0.23 0.00 0.00 176.35 174.94 3iio n PRO 197 N -1.14 2.14 -4.16 1.29 -0.02 -1.26 -4.88 135.00 126.98 3iio n PRO 197 Ca 0.09 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 3iio n PRO 197 Cb 0.52 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3iio n PRO 197 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iio s ILE 198 N 0.11 3.19 -0.31 4.25 1.01 -1.26 -1.66 121.20 126.53 3iio s ILE 198 Ca 0.69 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 3iio s ILE 198 Cb -0.63 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3iio s ILE 198 CO 0.47 0.46 0.25 -0.63 0.00 0.00 0.00 174.94 175.50 3iio s ILE 199 N 1.13 5.27 0.17 2.92 -1.09 0.11 -0.26 121.20 129.45 3iio s ILE 199 Ca 0.01 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.16 3iio s ILE 199 Cb -0.14 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 3iio s ILE 199 CO -0.02 0.09 1.11 0.00 -1.23 0.00 0.00 174.94 174.89 3iio s ALA 200 N 1.81 3.37 -0.05 9.38 0.00 0.45 0.58 121.76 137.30 3iio s ALA 200 Ca 0.08 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 3iio s ALA 200 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3iio s ALA 200 CO 0.11 -0.23 0.14 -1.58 0.00 0.00 0.00 175.76 174.20 3iio s HIS 201 N -0.14 -0.15 0.00 0.00 5.04 -0.48 -0.56 115.29 119.00 3iio s HIS 201 Ca 0.50 0.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.41 3iio s HIS 201 Cb -0.29 0.03 0.00 0.00 0.04 0.00 0.00 32.58 32.36 3iio s HIS 201 CO 0.35 -0.09 0.00 0.54 -2.34 0.00 0.00 174.74 173.20 3iio n ARG 202 N 3.22 0.00 0.00 2.88 1.74 -1.26 -2.89 116.66 120.35 3iio n ARG 202 Ca -0.15 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3iio n ARG 202 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 3iio n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iio n GLY 203 N 1.26 2.17 3.73 -0.13 0.00 -1.23 -4.24 105.19 106.75 3iio n GLY 203 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iio n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 204 N -2.17 3.87 0.00 4.61 0.00 -1.26 -0.90 121.76 125.91 3iio s ALA 204 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3iio s ALA 204 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3iio s ALA 204 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3iio n GLY 205 N 3.45 0.00 3.23 0.00 0.00 -1.25 -4.70 105.19 105.91 3iio n GLY 205 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3iio n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iio s LYS 206 N -0.73 1.11 0.23 1.61 -2.85 -1.26 -4.89 119.74 112.96 3iio s LYS 206 Ca 0.00 -1.47 -0.06 0.00 -1.00 0.00 0.00 55.97 53.44 3iio s LYS 206 Cb 0.00 0.29 0.32 0.00 -2.06 0.00 0.00 37.83 36.38 3iio s LYS 206 CO 0.00 -0.36 1.82 0.52 0.10 0.00 0.00 175.35 177.43 3iio h MET 207 N 2.68 0.79 -0.29 1.78 2.86 -1.98 -2.47 114.93 118.30 3iio h MET 207 Ca -0.34 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.33 3iio h MET 207 Cb 1.23 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3iio h MET 207 CO 0.53 0.52 0.22 0.93 1.06 0.00 0.00 176.91 180.18 3iio h GLU 208 N 0.81 0.00 -0.68 1.72 3.07 -1.99 -2.01 114.58 115.50 3iio h GLU 208 Ca 0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 3iio h GLU 208 Cb 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3iio h GLU 208 CO -0.20 0.00 0.22 0.45 -1.40 0.00 0.00 179.01 178.09 3iio h HIS 209 N 0.00 1.06 -0.53 4.33 3.86 -1.86 -1.71 115.15 120.30 3iio h HIS 209 Ca 0.14 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 3iio h HIS 209 Cb 0.57 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3iio h HIS 209 CO 0.00 0.84 -0.06 0.74 0.86 0.00 0.00 177.93 180.31 3iio h PHE 210 N 1.00 1.08 -0.47 2.45 0.04 -1.45 -2.45 116.94 117.14 3iio h PHE 210 Ca 0.22 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3iio h PHE 210 Cb 0.26 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3iio h PHE 210 CO 0.02 1.00 0.31 1.25 -0.60 0.00 0.00 178.31 180.29 3iio h LEU 211 N 0.84 0.54 -1.49 1.54 5.85 -1.42 -2.67 115.31 118.51 3iio h LEU 211 Ca 0.14 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3iio h LEU 211 Cb 0.61 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3iio h LEU 211 CO 0.04 0.39 0.24 -0.33 -0.34 0.00 0.00 178.44 178.44 3iio h GLU 212 N 0.63 0.58 -0.02 1.25 5.08 -1.05 -2.30 114.58 118.75 3iio h GLU 212 Ca 0.17 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 3iio h GLU 212 Cb -0.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3iio h GLU 212 CO -0.04 0.42 -0.86 0.00 -1.00 0.00 0.00 179.01 177.54 3iio h ALA 213 N 1.68 0.47 -0.10 3.43 0.00 -1.11 -2.29 119.26 121.34 3iio h ALA 213 Ca 0.15 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 3iio h ALA 213 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iio h ALA 213 CO -0.03 0.82 -0.66 0.74 0.00 0.00 0.00 179.25 180.13 3iio h PHE 214 N 0.21 0.54 -0.22 0.00 0.04 -1.25 -1.74 116.94 114.51 3iio h PHE 214 Ca -0.06 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.40 3iio h PHE 214 Cb 1.47 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 3iio h PHE 214 CO 0.05 0.95 -0.25 -0.07 -0.60 0.00 0.00 178.31 178.38 3iio h LEU 215 N 0.30 0.42 -0.95 1.54 3.38 -1.33 -2.67 115.31 116.00 3iio h LEU 215 Ca -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3iio h LEU 215 Cb 1.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3iio h LEU 215 CO 0.11 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.32 3iio n ALA 216 N -2.48 1.50 0.00 1.53 0.00 -0.87 -4.85 120.51 115.34 3iio n ALA 216 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3iio n ALA 216 Cb 0.40 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3iio n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iio n GLY 217 N -0.34 1.07 3.77 0.00 0.00 -1.00 -3.81 105.19 104.88 3iio n GLY 217 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3iio n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 218 N -1.93 2.99 -0.07 4.61 0.00 -0.67 -4.78 121.76 121.90 3iio s ALA 218 Ca 0.00 1.00 0.21 0.00 0.00 0.00 0.00 51.96 53.17 3iio s ALA 218 Cb 0.00 -3.41 -0.29 0.00 0.00 0.00 0.00 23.12 19.42 3iio s ALA 218 CO 0.00 -0.73 0.47 -0.25 0.00 0.00 0.00 175.76 175.25 3iio n ASP 219 N -0.47 0.10 -3.83 0.00 8.00 0.64 -4.54 116.55 116.44 3iio n ASP 219 Ca 0.07 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3iio n ASP 219 Cb 0.47 1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 43.18 3iio n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iio s ALA 220 N -3.33 -0.34 -0.09 2.24 0.00 -0.74 -1.71 121.76 117.78 3iio s ALA 220 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3iio s ALA 220 Cb 0.12 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3iio s ALA 220 CO 0.89 -0.57 -0.12 0.00 0.00 0.00 0.00 175.76 175.96 3iio s ALA 221 N -3.87 1.37 -0.06 0.00 0.00 -0.76 -0.41 121.76 118.03 3iio s ALA 221 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3iio s ALA 221 Cb 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3iio s ALA 221 CO -0.09 -0.05 -0.08 0.21 0.00 0.00 0.00 175.76 175.76 3iio s LYS 222 N 0.97 2.70 0.29 0.00 2.20 0.28 -0.36 119.74 125.82 3iio s LYS 222 Ca -0.08 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 54.85 3iio s LYS 222 Cb -0.15 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 3iio s LYS 222 CO -0.00 0.66 0.50 0.00 -0.36 0.00 0.00 175.35 176.15 3iio s ALA 223 N -0.82 0.02 0.00 3.13 0.00 -1.04 -4.29 121.76 118.77 3iio s ALA 223 Ca 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3iio s ALA 223 Cb -0.11 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.07 3iio s ALA 223 CO 0.02 -0.85 0.00 -0.40 0.00 0.00 0.00 175.76 174.53 3iio n ASP 224 N -0.79 0.00 -0.15 0.00 5.75 -1.26 -1.34 116.55 118.76 3iio n ASP 224 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.91 3iio n ASP 224 Cb 0.62 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.21 3iio n ASP 224 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3iio h SER 225 N 0.00 0.38 -0.91 -1.12 4.64 -1.97 -0.07 113.55 114.49 3iio h SER 225 Ca 0.00 0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.50 3iio h SER 225 Cb 0.00 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 61.93 3iio h SER 225 CO 0.00 0.20 0.50 1.62 -0.87 0.00 0.00 176.83 178.29 3iio h VAL 226 N 0.41 0.72 0.00 0.95 3.04 -1.93 0.47 116.25 119.92 3iio h VAL 226 Ca 0.35 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.80 3iio h VAL 226 Cb 0.79 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 3iio h VAL 226 CO -0.11 0.12 -0.03 -0.26 -1.01 0.00 0.00 177.57 176.28 3iio h PHE 227 N 0.68 0.02 -0.84 3.17 0.04 -1.38 0.33 116.94 118.97 3iio h PHE 227 Ca 0.51 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.31 3iio h PHE 227 Cb 0.73 -0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 3iio h PHE 227 CO -0.06 0.96 0.52 0.45 -0.60 0.00 0.00 178.31 179.58 3iio h HIS 228 N -0.91 0.97 -0.41 -0.55 3.86 -0.74 -1.48 115.15 115.89 3iio h HIS 228 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3iio h HIS 228 Cb 0.97 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3iio h HIS 228 CO 0.26 0.52 0.00 1.19 0.86 0.00 0.00 177.93 180.75 3iio n PHE 229 N -4.61 0.54 -2.52 2.45 0.99 0.16 -1.32 117.46 113.15 3iio n PHE 229 Ca 0.11 -0.27 -0.19 0.00 -0.00 0.00 0.00 57.45 57.10 3iio n PHE 229 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.62 3iio n PHE 229 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3iio n ARG 230 N 0.78 -2.26 0.04 -1.08 1.74 -0.56 -4.88 116.66 110.44 3iio n ARG 230 Ca 0.15 0.90 -0.08 0.00 -0.77 0.00 0.00 57.85 58.05 3iio n ARG 230 Cb 0.38 -5.58 0.08 0.00 -1.02 0.00 0.00 32.46 26.33 3iio n ARG 230 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3iio h GLU 231 N -0.20 0.43 -4.94 5.56 5.08 -1.23 -3.42 114.58 115.86 3iio h GLU 231 Ca -0.46 -0.28 -0.62 0.00 -1.00 0.00 0.00 59.36 57.01 3iio h GLU 231 Cb 1.33 0.04 -0.34 0.00 0.50 0.00 0.00 28.75 30.28 3iio h GLU 231 CO 0.53 0.88 -0.85 0.42 -1.00 0.00 0.00 179.01 179.00 3iio s ILE 232 N -3.90 1.70 0.01 3.13 1.01 -0.52 -5.04 121.20 117.59 3iio s ILE 232 Ca -0.06 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 3iio s ILE 232 Cb 0.11 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 3iio s ILE 232 CO 0.82 0.48 0.70 -0.62 0.00 0.00 0.00 174.94 176.32 3iio s ASP 233 N 0.81 7.10 0.13 3.58 2.15 -1.26 -4.40 116.67 124.77 3iio s ASP 233 Ca -0.10 1.31 -0.13 0.00 0.43 0.00 0.00 52.55 54.06 3iio s ASP 233 Cb -0.16 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 3iio s ASP 233 CO 0.01 0.03 1.52 0.58 -0.17 0.00 0.00 175.17 177.14 3iio h VAL 234 N 4.20 1.28 0.39 1.11 2.07 -1.95 0.13 116.25 123.47 3iio h VAL 234 Ca -0.44 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 3iio h VAL 234 Cb 1.20 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3iio h VAL 234 CO 0.71 0.41 -0.19 -0.09 0.02 0.00 0.00 177.57 178.44 3iio h ARG 235 N 0.61 -0.50 -0.68 1.57 9.65 -1.94 -0.37 114.38 122.71 3iio h ARG 235 Ca 0.10 0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.11 3iio h ARG 235 Cb 0.66 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.28 3iio h ARG 235 CO 0.05 -0.33 0.31 0.93 2.80 0.00 0.00 179.97 183.73 3iio h GLU 236 N -0.53 0.51 -0.39 0.20 5.08 -1.94 -0.88 114.58 116.62 3iio h GLU 236 Ca -0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3iio h GLU 236 Cb 0.41 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3iio h GLU 236 CO 0.09 0.34 0.20 1.25 -1.00 0.00 0.00 179.01 179.89 3iio h LEU 237 N 0.53 0.31 -0.92 1.33 5.85 -0.53 0.10 115.31 121.98 3iio h LEU 237 Ca 0.34 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 3iio h LEU 237 Cb 0.40 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3iio h LEU 237 CO -0.29 0.23 -0.40 0.11 -0.34 0.00 0.00 178.44 177.74 3iio h LYS 238 N 0.42 0.28 -0.22 1.25 1.57 -0.35 -0.54 116.57 118.97 3iio h LYS 238 Ca 0.16 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3iio h LYS 238 Cb 0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3iio h LYS 238 CO -0.10 0.64 -0.53 0.93 -0.57 0.00 0.00 179.45 179.82 3iio h GLU 239 N 0.24 0.65 0.23 3.15 5.08 -0.93 -0.63 114.58 122.36 3iio h GLU 239 Ca 0.02 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3iio h GLU 239 Cb 0.82 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3iio h GLU 239 CO 0.06 1.01 -0.11 -0.92 -1.00 0.00 0.00 179.01 178.06 3iio h TYR 240 N 0.50 -0.29 -0.23 4.33 3.20 -0.69 -0.22 116.97 123.58 3iio h TYR 240 Ca 0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3iio h TYR 240 Cb 1.09 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 3iio h TYR 240 CO 0.05 -0.10 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.38 3iio h LEU 241 N -0.41 -0.12 -0.86 2.82 3.38 -1.09 -2.31 115.31 116.72 3iio h LEU 241 Ca -0.03 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3iio h LEU 241 Cb 0.31 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3iio h LEU 241 CO 0.05 -0.03 0.56 0.50 0.09 0.00 0.00 178.44 179.61 3iio h LYS 242 N 0.05 1.08 -0.95 1.13 1.63 -1.09 -1.12 116.57 117.31 3iio h LYS 242 Ca 0.11 -0.07 0.15 0.00 -0.85 0.00 0.00 60.65 59.99 3iio h LYS 242 Cb 0.15 -0.24 -0.09 0.00 -0.60 0.00 0.00 32.23 31.44 3iio h LYS 242 CO -0.20 0.72 0.56 -0.22 -3.45 0.00 0.00 179.45 176.86 3iio h LYS 243 N 1.11 0.79 -0.91 1.90 3.64 -0.61 -2.03 116.57 120.47 3iio h LYS 243 Ca 0.33 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.33 3iio h LYS 243 Cb -0.06 -0.18 -0.20 0.00 -0.41 0.00 0.00 32.23 31.39 3iio h LYS 243 CO -0.09 0.52 0.42 0.72 -2.27 0.00 0.00 179.45 178.75 3iio n HIS 244 N -4.74 2.42 -0.90 1.91 8.25 -0.91 -4.90 115.22 116.36 3iio n HIS 244 Ca 0.19 -1.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 3iio n HIS 244 Cb 0.43 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.80 3iio n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iio n GLY 245 N -0.53 0.50 3.75 -1.41 0.00 -0.76 -5.04 105.19 101.69 3iio n GLY 245 Ca 0.44 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3iio n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iio s VAL 246 N -2.00 5.12 -1.32 1.61 1.01 -0.46 -5.01 120.40 119.35 3iio s VAL 246 Ca 0.00 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 3iio s VAL 246 Cb 0.00 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.63 3iio s VAL 246 CO 0.00 0.38 1.80 -3.20 0.00 0.00 0.00 175.10 174.08 3iio n ASN 247 N 3.22 4.79 -4.94 3.32 5.15 -1.26 -3.88 115.26 121.67 3iio n ASN 247 Ca -0.08 -2.91 -0.27 0.00 -0.60 0.00 0.00 54.58 50.72 3iio n ASN 247 Cb 0.52 -1.73 -0.03 0.00 -0.53 0.00 0.00 39.78 38.01 3iio n ASN 247 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3iio s VAL 248 N 3.93 5.33 -0.16 3.44 -7.23 -1.26 0.34 120.40 124.78 3iio s VAL 248 Ca 0.52 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 3iio s VAL 248 Cb 0.05 -3.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 3iio s VAL 248 CO 0.05 -0.05 1.27 -0.13 -0.31 0.00 0.00 175.10 175.93 3iio s ARG 249 N -3.10 4.23 0.00 4.82 0.52 -1.26 -4.94 118.95 119.22 3iio s ARG 249 Ca 0.35 1.67 0.01 0.00 -0.52 0.00 0.00 55.73 57.24 3iio s ARG 249 Cb -0.11 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.60 3iio s ARG 249 CO 0.28 -0.71 0.53 1.28 0.02 0.00 0.00 175.30 176.70