#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iio s LYS 4 N 0.00 4.48 -0.09 0.00 -0.14 0.32 -4.97 119.74 119.33 3iio s LYS 4 Ca 0.00 1.48 0.02 0.00 -1.36 0.00 0.00 55.97 56.10 3iio s LYS 4 Cb 0.00 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.32 3iio s LYS 4 CO 0.00 0.15 -0.14 0.50 -0.76 0.00 0.00 175.35 175.10 3iio s ARG 5 N -2.03 2.98 -0.25 1.68 3.52 -0.86 -4.33 118.95 119.65 3iio s ARG 5 Ca 0.51 -0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 55.33 3iio s ARG 5 Cb -0.22 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 3iio s ARG 5 CO 0.28 0.41 0.12 0.42 -0.81 0.00 0.00 175.30 175.72 3iio s ILE 6 N -0.16 4.75 -0.10 4.11 -1.09 -1.26 -2.22 121.20 125.23 3iio s ILE 6 Ca -0.01 -0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 3iio s ILE 6 Cb -0.13 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3iio s ILE 6 CO 0.03 0.32 -0.03 -1.81 -1.23 0.00 0.00 174.94 172.22 3iio s ASP 7 N 1.54 4.92 -0.17 3.58 1.11 -0.29 -1.24 116.67 126.12 3iio s ASP 7 Ca 0.06 0.01 -0.06 0.00 0.18 0.00 0.00 52.55 52.75 3iio s ASP 7 Cb -0.15 -1.46 -0.04 0.00 1.07 0.00 0.00 42.92 42.34 3iio s ASP 7 CO 0.06 0.31 0.03 0.00 1.18 0.00 0.00 175.17 176.76 3iio s ALA 8 N -0.50 3.31 -0.17 5.23 0.00 -0.96 -1.69 121.76 126.98 3iio s ALA 8 Ca 0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 3iio s ALA 8 Cb -0.12 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3iio s ALA 8 CO 0.02 0.22 0.15 0.00 0.00 0.00 0.00 175.76 176.15 3iio s ALA 9 N 0.26 3.75 -0.19 0.00 0.00 -0.08 -0.85 121.76 124.65 3iio s ALA 9 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3iio s ALA 9 Cb -0.13 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.90 3iio s ALA 9 CO 0.01 0.31 -0.15 -0.51 0.00 0.00 0.00 175.76 175.42 3iio s LEU 10 N -0.11 2.25 -0.17 0.00 1.02 0.56 -4.43 118.68 117.79 3iio s LEU 10 Ca 0.11 -0.77 -0.24 0.00 0.02 0.00 0.00 54.13 53.25 3iio s LEU 10 Cb -0.12 -1.37 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 3iio s LEU 10 CO 0.01 -0.07 0.76 -0.63 0.02 0.00 0.00 176.35 176.43 3iio s ILE 11 N 1.33 4.93 -0.05 -0.59 1.01 -1.26 -0.51 121.20 126.06 3iio s ILE 11 Ca 0.02 1.48 0.05 0.00 0.00 0.00 0.00 60.65 62.20 3iio s ILE 11 Cb -0.15 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3iio s ILE 11 CO -0.10 0.07 -0.21 -0.69 0.00 0.00 0.00 174.94 174.00 3iio s VAL 12 N 1.99 1.76 -0.04 2.92 1.01 0.17 -0.39 120.40 127.82 3iio s VAL 12 Ca 0.35 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3iio s VAL 12 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.75 3iio s VAL 12 CO 0.12 0.50 0.07 -0.75 0.00 0.00 0.00 175.10 175.03 3iio s LYS 13 N -0.10 -0.03 -1.00 2.72 2.20 0.48 -0.23 119.74 123.78 3iio s LYS 13 Ca -0.03 0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 55.81 3iio s LYS 13 Cb -0.12 -0.32 0.06 0.00 -1.51 0.00 0.00 37.83 35.94 3iio s LYS 13 CO 0.03 -0.23 0.30 -0.25 -0.36 0.00 0.00 175.35 174.84 3iio n ASP 14 N 4.61 -2.81 0.00 1.43 8.00 -1.26 -0.72 116.55 125.79 3iio n ASP 14 Ca -0.19 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3iio n ASP 14 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 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 -0.92 0.76 3.46 0.44 0.00 -1.26 -5.07 105.19 102.61 3iio n GLY 15 Ca -0.02 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.58 1.98 -0.15 1.61 1.81 0.10 -4.48 118.95 119.25 3iio s ARG 16 Ca 0.00 -1.04 -0.29 0.00 -1.72 0.00 0.00 55.73 52.68 3iio s ARG 16 Cb 0.00 -2.16 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 3iio s ARG 16 CO 0.00 0.52 1.46 0.08 -0.68 0.00 0.00 175.30 176.68 3iio s VAL 17 N -0.99 3.93 -0.27 3.52 1.01 0.10 -0.39 120.40 127.31 3iio s VAL 17 Ca 0.15 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 3iio s VAL 17 Cb -0.10 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3iio s VAL 17 CO 0.07 -0.16 1.94 -0.69 0.00 0.00 0.00 175.10 176.26 3iio s VAL 18 N 4.03 3.31 -0.06 2.92 1.01 0.47 -1.70 120.40 130.39 3iio s VAL 18 Ca 0.64 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3iio s VAL 18 Cb -0.26 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3iio s VAL 18 CO 0.23 -0.25 0.00 0.29 0.00 0.00 0.00 175.10 175.37 3iio n LYS 19 N 8.49 -0.12 0.00 2.72 5.02 -1.26 -4.88 118.16 128.13 3iio n LYS 19 Ca 0.25 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 3iio n LYS 19 Cb 0.46 -3.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.97 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 -2.77 0.97 3.50 0.72 0.00 -0.69 -4.95 105.19 101.96 3iio n GLY 20 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 0.23 -0.14 1.61 1.04 -1.07 -4.81 113.70 106.57 3iio s SER 21 Ca 0.00 -1.17 0.17 0.00 0.48 0.00 0.00 55.95 55.44 3iio s SER 21 Cb 0.00 0.58 0.72 0.00 0.10 0.00 0.00 66.02 67.42 3iio s SER 21 CO 0.00 -1.15 1.64 0.59 0.98 0.00 0.00 173.24 175.30 3iio n ASN 22 N -0.67 4.90 -4.46 7.02 4.13 -0.04 -4.85 115.26 121.28 3iio n ASN 22 Ca -0.00 -2.58 -0.44 0.00 1.68 0.00 0.00 54.58 53.24 3iio n ASN 22 Cb 0.62 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 3iio n ASN 22 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3iio s PHE 23 N -2.09 3.05 -0.65 3.10 0.40 -1.26 -4.82 117.98 115.70 3iio s PHE 23 Ca 0.51 -1.33 0.24 0.00 -0.60 0.00 0.00 56.93 55.75 3iio s PHE 23 Cb 0.35 -4.33 0.91 0.00 0.51 0.00 0.00 43.02 40.45 3iio s PHE 23 CO 0.22 -1.54 1.72 0.39 0.70 0.00 0.00 175.22 176.71 3iio n GLU 24 N 6.82 0.19 0.00 0.44 1.02 -1.26 -2.02 120.64 125.83 3iio n GLU 24 Ca 0.25 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.78 3iio n GLU 24 Cb 0.49 -1.79 0.42 0.00 -0.02 0.00 0.00 31.44 30.54 3iio n GLU 24 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3iio n ASN 25 N -2.13 0.00 -4.91 1.62 6.94 -1.26 -4.79 115.26 110.74 3iio n ASN 25 Ca 0.04 0.11 -0.32 0.00 -0.02 0.00 0.00 54.58 54.38 3iio n ASN 25 Cb 0.30 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 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 -2.63 4.35 0.14 -4.53 1.43 -0.86 -5.02 118.68 111.56 3iio s LEU 26 Ca 0.15 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 3iio s LEU 26 Cb 0.11 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.44 3iio s LEU 26 CO 0.27 0.18 1.72 0.03 0.23 0.00 0.00 176.35 178.77 3iio h ARG 27 N 3.33 0.09 -3.14 1.70 3.08 -1.88 -3.41 114.38 114.15 3iio h ARG 27 Ca -0.47 -0.01 -0.46 0.00 0.07 0.00 0.00 59.98 59.12 3iio h ARG 27 Cb 1.17 -0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.80 3iio h ARG 27 CO 0.72 0.06 -0.75 0.34 -1.07 0.00 0.00 179.97 179.27 3iio s ASP 28 N -5.25 2.33 0.00 7.04 2.15 -1.26 -5.02 116.67 116.65 3iio s ASP 28 Ca -0.13 -0.59 0.26 0.00 0.43 0.00 0.00 52.55 52.52 3iio s ASP 28 Cb 0.11 -0.28 1.14 0.00 -0.30 0.00 0.00 42.92 43.59 3iio s ASP 28 CO 0.69 -0.34 1.84 -1.20 -0.17 0.00 0.00 175.17 176.00 3iio n SER 29 N 5.25 0.00 -0.69 -0.34 7.64 -1.26 -2.42 113.62 121.80 3iio n SER 29 Ca -0.07 0.43 0.08 0.00 1.01 0.00 0.00 58.87 60.32 3iio n SER 29 Cb 0.49 -0.48 0.10 0.00 -1.01 0.00 0.00 64.21 63.32 3iio n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iio n GLY 30 N 1.16 0.78 3.60 0.23 0.00 -1.26 -2.59 105.19 107.11 3iio n GLY 30 Ca 0.07 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.22 6.57 0.42 1.61 2.15 -1.01 0.02 116.67 125.21 3iio s ASP 31 Ca 0.22 0.49 0.20 0.00 0.43 0.00 0.00 52.55 53.89 3iio s ASP 31 Cb 0.14 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 41.15 3iio s ASP 31 CO 0.20 -1.30 1.87 1.55 -0.17 0.00 0.00 175.17 177.31 3iio h PRO 32 N 9.48 0.00 -0.03 4.34 0.13 -1.89 -0.48 132.00 143.56 3iio h PRO 32 Ca -0.24 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.68 3iio h PRO 32 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3iio h PRO 32 CO 1.13 0.28 -0.87 0.28 -0.23 0.00 0.00 178.00 178.59 3iio h VAL 33 N 0.00 1.38 -0.07 1.56 2.07 -1.93 -0.21 116.25 119.06 3iio h VAL 33 Ca -0.00 -2.32 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 3iio h VAL 33 Cb 0.66 2.30 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3iio h VAL 33 CO 0.04 0.70 -0.72 -0.08 0.02 0.00 0.00 177.57 177.53 3iio h GLU 34 N 0.27 0.60 0.21 1.57 4.81 -1.86 -2.58 114.58 117.60 3iio h GLU 34 Ca -0.07 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3iio h GLU 34 Cb 1.49 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.01 3iio h GLU 34 CO 0.15 1.18 -0.10 1.25 -0.73 0.00 0.00 179.01 180.76 3iio h LEU 35 N 0.23 -0.23 -1.30 1.64 5.85 -1.14 -1.43 115.31 118.93 3iio h LEU 35 Ca -0.07 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3iio h LEU 35 Cb 1.38 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 3iio h LEU 35 CO 0.14 -0.10 0.53 1.23 -0.34 0.00 0.00 178.44 179.90 3iio h GLY 36 N -0.35 1.10 0.97 3.75 0.00 -1.13 0.20 103.07 107.61 3iio h GLY 36 Ca -0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3iio h GLY 36 CO 0.05 0.21 -0.49 1.70 0.00 0.00 0.00 176.54 178.01 3iio h LYS 37 N 0.80 0.64 -0.32 4.80 3.64 -1.33 -1.44 116.57 123.36 3iio h LYS 37 Ca 0.36 -0.45 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3iio h LYS 37 Cb 0.36 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 3iio h LYS 37 CO -0.14 1.07 0.11 0.35 -2.27 0.00 0.00 179.45 178.57 3iio h PHE 38 N 0.31 0.20 -0.76 1.91 3.57 -0.83 -2.52 116.94 118.82 3iio h PHE 38 Ca -0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3iio h PHE 38 Cb 1.10 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 3iio h PHE 38 CO 0.09 0.08 0.48 1.88 -2.23 0.00 0.00 178.31 178.61 3iio h TYR 39 N 0.25 0.89 0.00 0.41 0.05 -0.86 -1.34 116.97 116.37 3iio h TYR 39 Ca 0.15 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3iio h TYR 39 Cb 0.12 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 3iio h TYR 39 CO -0.14 0.49 -0.07 0.66 -1.05 0.00 0.00 178.16 178.05 3iio h SER 40 N 0.92 0.00 0.66 3.88 4.64 -0.99 -1.59 113.55 121.06 3iio h SER 40 Ca 0.31 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.41 3iio h SER 40 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3iio h SER 40 CO -0.13 0.07 -1.49 -0.33 -0.87 0.00 0.00 176.83 174.09 3iio h GLU 41 N 0.00 0.00 -0.00 4.77 5.08 -0.86 -3.37 114.58 120.20 3iio h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iio h GLU 41 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3iio h GLU 41 CO 0.01 0.44 -0.35 0.44 -1.00 0.00 0.00 179.01 178.55 3iio n ILE 42 N -3.01 0.00 0.00 3.13 -5.35 -0.62 -4.95 119.36 108.56 3iio n ILE 42 Ca -0.12 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3iio n ILE 42 Cb 0.94 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 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 1.41 0.62 3.73 3.28 0.00 -1.01 -4.24 105.19 108.99 3iio n GLY 43 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.40 2.91 -0.06 -0.61 -1.09 -0.63 -4.88 121.20 115.44 3iio s ILE 44 Ca 0.00 0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 58.97 3iio s ILE 44 Cb 0.00 -3.45 -0.30 0.00 -1.58 0.00 0.00 42.46 37.13 3iio s ILE 44 CO 0.00 0.08 0.70 0.44 -1.23 0.00 0.00 174.94 174.93 3iio h ASP 45 N 5.99 0.54 -5.07 3.58 3.32 -1.50 -3.41 116.42 119.88 3iio h ASP 45 Ca -0.44 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 55.56 3iio h ASP 45 Cb 1.21 -0.18 -0.19 0.00 0.22 0.00 0.00 39.33 40.40 3iio h ASP 45 CO 0.83 1.66 -0.66 -1.61 -1.72 0.00 0.00 179.24 177.75 3iio s GLU 46 N -2.52 0.44 -0.01 3.56 2.02 -1.21 -4.23 118.70 116.75 3iio s GLU 46 Ca -0.16 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.08 3iio s GLU 46 Cb 0.04 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 3iio s GLU 46 CO 0.83 -0.08 -0.12 -0.51 0.02 0.00 0.00 175.26 175.40 3iio s LEU 47 N -1.95 2.90 -0.07 1.80 1.43 -0.61 -2.26 118.68 119.92 3iio s LEU 47 Ca -0.08 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3iio s LEU 47 Cb -0.04 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3iio s LEU 47 CO -0.04 0.30 -0.12 -0.44 0.23 0.00 0.00 176.35 176.28 3iio s SER 48 N -1.15 4.18 -0.17 2.29 0.01 -0.03 -0.80 113.70 118.03 3iio s SER 48 Ca 0.14 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3iio s SER 48 Cb -0.11 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.05 3iio s SER 48 CO 0.04 0.31 -0.15 -0.36 0.41 0.00 0.00 173.24 173.49 3iio s PHE 49 N -0.52 2.79 -0.22 2.43 0.08 0.09 -0.32 117.98 122.31 3iio s PHE 49 Ca 0.07 -1.15 -0.01 0.00 0.12 0.00 0.00 56.93 55.95 3iio s PHE 49 Cb -0.12 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3iio s PHE 49 CO 0.02 -0.55 -0.09 -0.46 -0.10 0.00 0.00 175.22 174.03 3iio s TRP 50 N 0.97 2.96 -0.20 0.36 -0.11 0.33 -1.66 118.94 121.59 3iio s TRP 50 Ca -0.02 -1.40 -0.14 0.00 1.22 0.00 0.00 56.10 55.75 3iio s TRP 50 Cb -0.15 -2.03 -0.04 0.00 -1.50 0.00 0.00 33.47 29.75 3iio s TRP 50 CO -0.03 -0.70 0.32 0.34 -4.62 0.00 0.00 176.95 172.26 3iio s ASP 51 N 1.36 6.36 -0.19 5.86 2.15 -0.62 0.41 116.67 132.00 3iio s ASP 51 Ca 0.03 0.42 0.15 0.00 0.43 0.00 0.00 52.55 53.58 3iio s ASP 51 Cb -0.15 -2.19 0.44 0.00 -0.30 0.00 0.00 42.92 40.72 3iio s ASP 51 CO -0.06 -0.00 1.33 2.30 -0.17 0.00 0.00 175.17 178.56 3iio n ILE 52 N 4.14 2.22 -1.68 4.11 -5.35 0.68 -4.46 119.36 119.02 3iio n ILE 52 Ca -0.11 -2.36 -0.49 0.00 -0.27 0.00 0.00 62.75 59.52 3iio n ILE 52 Cb 0.51 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.10 3iio n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3iio n THR 53 N -1.01 0.49 -2.09 7.28 -1.04 -1.26 -4.85 114.28 111.80 3iio n THR 53 Ca 0.22 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.74 3iio n THR 53 Cb 0.83 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.58 3iio n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iio n ALA 54 N 6.17 6.39 0.00 2.41 0.00 -1.26 -4.71 120.51 129.50 3iio n ALA 54 Ca 0.23 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.52 3iio n ALA 54 Cb 0.27 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.88 3iio n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iio n SER 55 N 2.37 0.00 0.00 0.00 3.41 -1.26 -4.75 113.62 113.38 3iio n SER 55 Ca 0.56 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 59.21 3iio n SER 55 Cb 0.28 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.49 3iio n SER 55 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3iio n VAL 56 N 0.00 0.00 1.30 -3.33 0.24 -1.26 -4.53 118.33 110.75 3iio n VAL 56 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 3iio n VAL 56 Cb 0.00 -0.48 0.22 0.00 -1.47 0.00 0.00 33.84 32.11 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 -0.75 1.55 0.28 7.34 -0.58 -1.26 -4.51 120.64 122.70 3iio n GLU 57 Ca 0.06 -0.84 -0.15 0.00 -0.42 0.00 0.00 57.16 55.81 3iio n GLU 57 Cb 0.03 -1.25 -0.08 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.47 -0.69 -0.70 3.49 3.64 -1.84 -0.12 116.57 121.83 3iio h LYS 58 Ca 0.00 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 3iio h LYS 58 Cb 0.33 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 3iio h LYS 58 CO 0.00 -0.38 0.13 -0.09 -2.27 0.00 0.00 179.45 176.84 3iio h ARG 59 N -0.94 0.23 -0.05 1.90 2.43 -1.96 0.09 114.38 116.09 3iio h ARG 59 Ca -0.07 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.84 3iio h ARG 59 Cb 0.62 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3iio h ARG 59 CO 0.12 0.15 -0.94 -0.22 -1.51 0.00 0.00 179.97 177.58 3iio h LYS 60 N 0.24 0.67 -0.78 0.20 3.11 -1.86 -1.93 116.57 116.21 3iio h LYS 60 Ca 0.38 -0.66 -0.03 0.00 -2.81 0.00 0.00 60.65 57.54 3iio h LYS 60 Cb 0.64 0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 32.00 3iio h LYS 60 CO -0.50 1.26 0.39 1.15 -2.81 0.00 0.00 179.45 178.93 3iio h THR 61 N 0.41 1.24 -0.19 1.00 2.02 -0.25 -0.91 112.91 116.23 3iio h THR 61 Ca -0.09 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 3iio h THR 61 Cb 1.57 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3iio h THR 61 CO 0.18 0.28 -0.23 0.24 0.37 0.00 0.00 175.52 176.36 3iio h MET 62 N 1.10 0.49 -0.61 6.66 2.86 -1.02 -1.50 114.93 122.91 3iio h MET 62 Ca 0.27 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3iio h MET 62 Cb 0.09 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3iio h MET 62 CO -0.04 0.86 0.14 -0.07 1.06 0.00 0.00 176.91 178.86 3iio h LEU 63 N 0.16 0.90 -0.69 1.22 3.38 -1.12 -2.09 115.31 117.06 3iio h LEU 63 Ca 0.02 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3iio h LEU 63 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3iio h LEU 63 CO 0.06 0.88 -0.14 -0.33 0.09 0.00 0.00 178.44 178.99 3iio h GLU 64 N 0.91 0.87 0.36 1.13 5.08 -1.21 -2.77 114.58 118.95 3iio h GLU 64 Ca 0.19 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3iio h GLU 64 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3iio h GLU 64 CO 0.00 0.95 -0.17 1.25 -1.00 0.00 0.00 179.01 180.04 3iio h LEU 65 N 0.77 -0.41 -0.77 1.33 5.85 -0.87 -1.56 115.31 119.65 3iio h LEU 65 Ca 0.12 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3iio h LEU 65 Cb 0.66 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3iio h LEU 65 CO 0.05 -0.27 0.09 -0.37 -0.34 0.00 0.00 178.44 177.59 3iio h VAL 66 N -0.51 1.26 -0.13 1.05 -1.51 -1.46 0.33 116.25 115.29 3iio h VAL 66 Ca -0.05 -1.01 0.04 0.00 -1.23 0.00 0.00 66.70 64.45 3iio h VAL 66 Cb 0.39 0.68 -0.04 0.00 -2.13 0.00 0.00 31.29 30.19 3iio h VAL 66 CO 0.08 0.38 -0.14 -0.08 -1.23 0.00 0.00 177.57 176.58 3iio h GLU 67 N 0.95 -0.17 -0.43 5.19 4.81 -1.42 0.49 114.58 124.00 3iio h GLU 67 Ca 0.19 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3iio h GLU 67 Cb 0.43 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3iio h GLU 67 CO 0.01 -0.11 0.17 -0.22 -0.73 0.00 0.00 179.01 178.13 3iio h LYS 68 N -0.17 0.65 -0.46 1.92 3.64 -0.92 -2.21 116.57 119.02 3iio h LYS 68 Ca 0.09 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3iio h LYS 68 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3iio h LYS 68 CO -0.23 0.61 0.19 0.28 -2.27 0.00 0.00 179.45 178.03 3iio h VAL 69 N 0.56 1.20 -0.11 2.00 2.07 -0.08 -3.16 116.25 118.73 3iio h VAL 69 Ca 0.14 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3iio h VAL 69 Cb 0.21 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3iio h VAL 69 CO -0.01 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.88 3iio h ALA 70 N 1.04 1.92 -0.08 1.67 0.00 0.22 -1.30 119.26 122.72 3iio h ALA 70 Ca 0.15 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3iio h ALA 70 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iio h ALA 70 CO -0.01 0.07 -0.71 1.49 0.00 0.00 0.00 179.25 180.09 3iio h GLU 71 N 0.14 0.40 0.00 0.00 4.81 -1.38 -3.38 114.58 115.16 3iio h GLU 71 Ca 0.04 -0.32 -0.27 0.00 -0.13 0.00 0.00 59.36 58.68 3iio h GLU 71 Cb -0.01 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3iio h GLU 71 CO -0.01 0.95 -2.22 1.04 -0.73 0.00 0.00 179.01 178.05 3iio n GLN 72 N -3.84 0.87 -4.58 1.92 6.02 -0.79 -4.99 117.38 111.98 3iio n GLN 72 Ca -0.04 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.57 3iio n GLN 72 Cb 0.70 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 30.35 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 -2.65 3.66 -1.59 5.09 1.01 -0.56 -5.01 121.20 121.15 3iio s ILE 73 Ca -0.09 -0.47 0.20 0.00 0.00 0.00 0.00 60.65 60.29 3iio s ILE 73 Cb 0.07 -2.54 0.62 0.00 0.01 0.00 0.00 42.46 40.62 3iio s ILE 73 CO 0.78 0.55 1.52 -0.90 0.00 0.00 0.00 174.94 176.90 3iio n ASP 74 N 2.86 4.03 -4.60 3.58 5.75 -1.26 -4.82 116.55 122.08 3iio n ASP 74 Ca -0.18 -2.13 -0.24 0.00 -0.01 0.00 0.00 54.79 52.24 3iio n ASP 74 Cb 0.53 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 3iio n ASP 74 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3iio s ILE 75 N -1.24 3.24 0.34 2.12 -4.36 -1.26 -5.09 121.20 114.95 3iio s ILE 75 Ca 0.46 -1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 58.60 3iio s ILE 75 Cb 0.26 -2.71 -0.12 0.00 1.25 0.00 0.00 42.46 41.13 3iio s ILE 75 CO 0.29 -0.35 1.31 -2.65 0.24 0.00 0.00 174.94 173.78 3iio n PRO 76 N -0.73 2.17 -4.08 0.37 -0.02 -1.26 -4.85 135.00 126.60 3iio n PRO 76 Ca -0.07 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 3iio n PRO 76 Cb 0.59 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 3iio n PRO 76 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3iio s PHE 77 N -1.05 0.75 -0.07 6.00 -0.12 -1.26 -1.57 117.98 120.67 3iio s PHE 77 Ca 0.56 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 3iio s PHE 77 Cb -0.56 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 3iio s PHE 77 CO 0.62 -0.06 -0.08 0.99 -0.05 0.00 0.00 175.22 176.64 3iio s THR 78 N -1.33 3.61 -0.07 -4.49 2.01 0.02 -2.33 115.64 113.06 3iio s THR 78 Ca -0.08 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.41 3iio s THR 78 Cb -0.10 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3iio s THR 78 CO 0.01 0.59 -0.06 0.68 -0.69 0.00 0.00 174.62 175.15 3iio s VAL 79 N -0.76 3.74 0.24 3.82 -7.23 -0.98 -0.73 120.40 118.50 3iio s VAL 79 Ca 0.12 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.80 3iio s VAL 79 Cb -0.11 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3iio s VAL 79 CO 0.01 0.59 0.34 0.61 -0.31 0.00 0.00 175.10 176.34 3iio n GLY 80 N 2.19 2.41 0.00 2.32 0.00 -0.66 -0.34 105.19 111.11 3iio n GLY 80 Ca -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3iio n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iio n GLY 81 N -0.39 0.53 2.23 -0.02 0.00 -1.26 -1.58 105.19 104.68 3iio n GLY 81 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 0.09 0.39 3.50 -0.02 0.00 -1.26 -4.66 105.19 103.23 3iio n GLY 82 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.03 5.13 -0.24 -0.61 1.01 -1.26 -4.91 121.20 117.30 3iio s ILE 83 Ca 0.18 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3iio s ILE 83 Cb -0.08 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 3iio s ILE 83 CO 0.23 -0.29 0.22 1.41 0.00 0.00 0.00 174.94 176.51 3iio n HIS 84 N 5.48 0.00 -3.94 3.97 8.25 -1.26 -4.62 115.22 123.10 3iio n HIS 84 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 3iio n HIS 84 Cb 0.48 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.62 -0.15 0.11 0.41 1.47 -1.26 -4.85 116.67 110.78 3iio s ASP 85 Ca 0.02 -0.81 -0.21 0.00 1.18 0.00 0.00 52.55 52.72 3iio s ASP 85 Cb 0.04 0.63 -0.09 0.00 -0.34 0.00 0.00 42.92 43.16 3iio s ASP 85 CO 0.23 -1.20 1.73 0.15 0.68 0.00 0.00 175.17 176.75 3iio h PHE 86 N 2.18 -0.03 -0.96 2.11 3.57 -1.97 -2.82 116.94 119.02 3iio h PHE 86 Ca -0.24 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.39 3iio h PHE 86 Cb 1.25 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.94 3iio h PHE 86 CO 0.41 -0.03 0.58 0.93 -2.23 0.00 0.00 178.31 177.97 3iio h GLU 87 N 0.02 0.89 -0.45 1.11 5.08 -1.98 0.42 114.58 119.66 3iio h GLU 87 Ca 0.05 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3iio h GLU 87 Cb 0.07 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3iio h GLU 87 CO -0.09 0.59 0.15 1.15 -1.00 0.00 0.00 179.01 179.80 3iio h THR 88 N 0.92 1.22 -0.44 1.13 2.02 -1.94 -2.38 112.91 113.43 3iio h THR 88 Ca 0.48 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3iio h THR 88 Cb 0.49 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3iio h THR 88 CO -0.27 0.26 0.23 0.00 0.37 0.00 0.00 175.52 176.11 3iio h ALA 89 N 1.00 0.57 0.26 6.16 0.00 -1.07 -2.92 119.26 123.26 3iio h ALA 89 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iio h ALA 89 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iio h ALA 89 CO -0.01 0.11 -0.22 1.03 0.00 0.00 0.00 179.25 180.16 3iio h SER 90 N 0.57 -0.59 -0.78 0.00 0.87 -0.15 -1.48 113.55 111.99 3iio h SER 90 Ca 0.15 0.05 0.17 0.00 -1.23 0.00 0.00 61.79 60.94 3iio h SER 90 Cb 0.09 0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 62.10 3iio h SER 90 CO -0.02 -0.34 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.54 3iio h GLU 91 N -0.50 0.05 -0.29 2.24 5.08 -1.47 0.16 114.58 119.84 3iio h GLU 91 Ca -0.01 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3iio h GLU 91 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3iio h GLU 91 CO -0.03 0.03 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.57 3iio h LEU 92 N 0.05 0.83 -0.01 1.33 3.38 -1.27 -2.06 115.31 117.57 3iio h LEU 92 Ca 0.41 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iio h LEU 92 Cb 0.71 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3iio h LEU 92 CO -0.74 1.17 -0.01 0.40 0.09 0.00 0.00 178.44 179.35 3iio h ILE 93 N 0.52 1.43 -0.19 1.22 2.04 -0.93 -2.38 117.51 119.22 3iio h ILE 93 Ca 0.03 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.66 3iio h ILE 93 Cb 0.97 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3iio h ILE 93 CO 0.09 0.34 0.23 -0.07 0.00 0.00 0.00 178.15 178.73 3iio h LEU 94 N -0.52 0.00 -0.22 1.44 3.38 -0.77 0.18 115.31 118.81 3iio h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iio h LEU 94 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iio h LEU 94 CO 0.00 0.00 -0.14 -1.14 0.09 0.00 0.00 178.44 177.26 3iio n ARG 95 N -3.73 0.60 0.00 1.13 3.00 -0.78 -4.93 116.66 111.95 3iio n ARG 95 Ca 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 3iio n ARG 95 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.32 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 1.31 1.01 3.75 5.14 0.00 0.65 -4.05 105.19 113.00 3iio n GLY 96 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.53 0.10 4.61 0.00 -0.93 -4.72 121.76 122.35 3iio s ALA 97 Ca 0.00 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 3iio s ALA 97 Cb 0.00 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.43 3iio s ALA 97 CO 0.00 -0.57 1.20 -0.44 0.00 0.00 0.00 175.76 175.95 3iio h ASP 98 N 4.81 0.45 -5.09 0.00 3.32 -1.82 -3.40 116.42 114.69 3iio h ASP 98 Ca -0.46 -0.44 -0.15 0.00 0.02 0.00 0.00 57.03 56.01 3iio h ASP 98 Cb 1.22 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 3iio h ASP 98 CO 0.74 1.30 -0.67 -0.54 -1.72 0.00 0.00 179.24 178.35 3iio s LYS 99 N -2.87 0.46 0.04 3.56 1.02 -0.98 -4.33 119.74 116.63 3iio s LYS 99 Ca -0.04 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.15 3iio s LYS 99 Cb 0.08 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 3iio s LYS 99 CO 0.88 -0.08 -0.19 0.14 -0.92 0.00 0.00 175.35 175.17 3iio s VAL 100 N -2.55 2.73 -0.20 3.17 -7.23 0.65 -2.33 120.40 114.65 3iio s VAL 100 Ca -0.06 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 3iio s VAL 100 Cb -0.02 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 3iio s VAL 100 CO -0.05 0.34 0.00 -0.70 -0.31 0.00 0.00 175.10 174.39 3iio s GLU 101 N -1.41 3.65 0.05 4.82 2.12 0.54 -1.07 118.70 127.41 3iio s GLU 101 Ca 0.14 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 55.03 3iio s GLU 101 Cb -0.10 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 3iio s GLU 101 CO 0.05 0.05 -0.16 0.96 -0.54 0.00 0.00 175.26 175.62 3iio s ILE 102 N 0.90 1.27 0.00 -3.70 -4.36 -0.48 -4.42 121.20 110.42 3iio s ILE 102 Ca 0.01 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 3iio s ILE 102 Cb -0.14 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.41 3iio s ILE 102 CO 0.02 -0.02 0.00 -3.20 0.24 0.00 0.00 174.94 171.98 3iio n ASN 103 N 1.65 0.00 -0.21 4.36 2.85 -1.26 -1.34 115.26 121.31 3iio n ASN 103 Ca -0.19 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.28 3iio n ASN 103 Cb 0.54 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.67 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 0.79 -0.25 -0.44 2.02 -1.92 -0.57 112.91 112.54 3iio h THR 104 Ca 0.00 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3iio h THR 104 Cb 0.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3iio h THR 104 CO 0.00 0.08 0.17 0.00 0.37 0.00 0.00 175.52 176.14 3iio h ALA 105 N 1.41 2.01 -0.15 6.16 0.00 -1.89 -1.53 119.26 125.28 3iio h ALA 105 Ca 0.31 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 3iio h ALA 105 Cb 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iio h ALA 105 CO -0.29 -0.06 -0.77 0.00 0.00 0.00 0.00 179.25 178.13 3iio h ALA 106 N 1.86 0.35 -0.19 0.00 0.00 -1.37 -3.08 119.26 116.83 3iio h ALA 106 Ca 0.11 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3iio h ALA 106 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iio h ALA 106 CO -0.02 0.69 -0.45 0.28 0.00 0.00 0.00 179.25 179.76 3iio h VAL 107 N 0.52 1.31 -0.27 0.00 2.07 -0.89 -2.48 116.25 116.51 3iio h VAL 107 Ca -0.05 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3iio h VAL 107 Cb 1.39 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3iio h VAL 107 CO 0.16 0.51 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 3iio n GLU 108 N -4.00 1.64 -2.65 1.57 1.02 -0.65 -4.38 120.64 113.19 3iio n GLU 108 Ca -0.02 -0.99 -0.03 0.00 -0.02 0.00 0.00 57.16 56.10 3iio n GLU 108 Cb 0.53 -1.22 0.11 0.00 -0.02 0.00 0.00 31.44 30.83 3iio n GLU 108 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iio n ASN 109 N 0.30 -1.03 0.32 1.62 5.15 -1.17 -5.02 115.26 115.44 3iio n ASN 109 Ca 0.10 -1.54 0.19 0.00 -0.60 0.00 0.00 54.58 52.72 3iio n ASN 109 Cb 0.24 0.85 0.98 0.00 -0.53 0.00 0.00 39.78 41.31 3iio n ASN 109 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iio h PRO 110 N 2.37 0.00 0.00 1.20 0.11 -1.64 0.85 132.00 134.89 3iio h PRO 110 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3iio h PRO 110 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iio h PRO 110 CO -0.11 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 178.22 3iio h SER 111 N 0.00 0.00 -0.94 -2.05 4.64 -1.93 -2.71 113.55 110.55 3iio h SER 111 Ca 0.01 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.48 3iio h SER 111 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.40 3iio h SER 111 CO -0.00 0.11 0.55 0.25 -0.87 0.00 0.00 176.83 176.87 3iio h LEU 112 N 0.00 0.74 0.07 5.97 5.85 -1.15 0.15 115.31 126.95 3iio h LEU 112 Ca -0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3iio h LEU 112 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3iio h LEU 112 CO 0.01 0.33 -0.43 0.40 -0.34 0.00 0.00 178.44 178.42 3iio h ILE 113 N 0.79 0.15 -0.97 4.05 2.04 -1.64 -2.07 117.51 119.86 3iio h ILE 113 Ca 0.50 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.47 3iio h ILE 113 Cb 0.65 0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 3iio h ILE 113 CO -0.33 0.00 0.60 0.74 0.00 0.00 0.00 178.15 179.16 3iio h THR 114 N -0.63 0.95 -0.49 -0.27 2.02 -1.24 -0.67 112.91 112.59 3iio h THR 114 Ca 0.03 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 3iio h THR 114 Cb 0.67 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3iio h THR 114 CO -0.27 0.18 0.10 -0.61 0.37 0.00 0.00 175.52 175.29 3iio h GLN 115 N 0.99 0.80 -0.36 6.66 4.15 -0.74 0.21 115.11 126.82 3iio h GLN 115 Ca 0.46 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 3iio h GLN 115 Cb 0.40 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3iio h GLN 115 CO -0.24 0.79 -0.11 0.82 -1.93 0.00 0.00 178.83 178.15 3iio h ILE 116 N 0.68 1.28 -0.54 2.39 2.04 -1.17 -2.93 117.51 119.26 3iio h ILE 116 Ca 0.15 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 3iio h ILE 116 Cb 0.36 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3iio h ILE 116 CO 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.45 3iio h ALA 117 N 0.81 0.74 0.00 1.87 0.00 -0.88 -0.25 119.26 121.56 3iio h ALA 117 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3iio h ALA 117 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iio h ALA 117 CO 0.04 0.65 -0.24 1.96 0.00 0.00 0.00 179.25 181.66 3iio h GLN 118 N 0.90 0.00 0.06 0.00 4.20 -0.64 0.12 115.11 119.75 3iio h GLN 118 Ca 0.14 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.55 3iio h GLN 118 Cb 0.66 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3iio h GLN 118 CO 0.05 0.24 -1.63 2.41 -0.67 0.00 0.00 178.83 179.22 3iio n THR 119 N -4.01 1.65 0.32 -0.54 -1.04 -1.09 -4.64 114.28 104.92 3iio n THR 119 Ca -0.02 -0.32 0.04 0.00 -2.04 0.00 0.00 64.05 61.71 3iio n THR 119 Cb 0.31 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3iio n THR 119 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iio n PHE 120 N -4.00 0.00 0.00 -1.42 3.72 -0.12 -5.10 117.46 110.53 3iio n PHE 120 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3iio n PHE 120 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 0.75 0.58 0.45 1.37 0.00 0.42 -4.57 105.19 104.19 3iio n GLY 121 Ca 0.03 -1.46 0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 0.32 0.27 1.61 0.02 -1.77 -1.21 113.55 112.80 3iio h SER 122 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3iio h SER 122 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3iio h SER 122 CO 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 3iio n GLN 123 N -4.59 0.12 0.00 3.45 6.02 -1.26 -1.45 117.38 119.67 3iio n GLN 123 Ca 0.30 0.52 0.13 0.00 -0.01 0.00 0.00 57.00 57.93 3iio n GLN 123 Cb 1.14 -1.82 0.34 0.00 1.02 0.00 0.00 30.24 30.92 3iio n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iio n ALA 124 N -1.71 2.80 -3.46 -1.58 0.00 -0.45 -4.70 120.51 111.41 3iio n ALA 124 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 3iio n ALA 124 Cb 0.10 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.19 3.37 -0.21 0.00 1.01 -0.78 -0.25 120.40 121.34 3iio s VAL 125 Ca 0.30 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 3iio s VAL 125 Cb 0.20 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3iio s VAL 125 CO 0.40 -0.16 0.05 -0.69 0.00 0.00 0.00 175.10 174.70 3iio s VAL 126 N 1.32 4.33 -0.25 2.92 1.01 -0.23 -1.44 120.40 128.06 3iio s VAL 126 Ca -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3iio s VAL 126 Cb -0.20 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3iio s VAL 126 CO 0.01 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.85 3iio s VAL 127 N 1.08 4.01 -0.21 2.92 1.01 -0.79 -1.38 120.40 127.04 3iio s VAL 127 Ca 0.04 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 3iio s VAL 127 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3iio s VAL 127 CO 0.03 0.33 0.97 -0.47 0.00 0.00 0.00 175.10 175.96 3iio s TYR 128 N 1.56 3.36 -0.27 5.22 5.04 -0.45 -1.70 117.35 130.11 3iio s TYR 128 Ca 0.06 1.39 -0.06 0.00 -2.44 0.00 0.00 57.07 56.02 3iio s TYR 128 Cb -0.15 -3.19 0.01 0.00 0.35 0.00 0.00 41.96 38.98 3iio s TYR 128 CO 0.02 -0.41 0.04 0.42 -1.34 0.00 0.00 175.55 174.28 3iio s ILE 129 N 2.88 3.75 -0.25 3.14 1.01 0.69 -4.48 121.20 127.94 3iio s ILE 129 Ca 0.42 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3iio s ILE 129 Cb -0.16 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3iio s ILE 129 CO 0.08 0.16 0.15 0.00 0.00 0.00 0.00 174.94 175.33 3iio s ALA 130 N 1.48 3.53 0.07 9.38 0.00 -1.26 -1.25 121.76 133.71 3iio s ALA 130 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3iio s ALA 130 Cb -0.17 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 3iio s ALA 130 CO 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 175.76 175.43 3iio s ALA 131 N 1.23 0.76 0.03 0.00 0.00 -0.41 -1.40 121.76 121.96 3iio s ALA 131 Ca 0.07 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 3iio s ALA 131 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3iio s ALA 131 CO 0.06 -0.18 0.26 0.21 0.00 0.00 0.00 175.76 176.11 3iio s LYS 132 N -3.01 0.74 -0.18 0.00 2.20 -0.29 -1.53 119.74 117.67 3iio s LYS 132 Ca 0.03 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3iio s LYS 132 Cb -0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 3iio s LYS 132 CO -0.04 -0.22 1.15 1.03 -0.36 0.00 0.00 175.35 176.91 3iio s ARG 133 N -2.39 4.26 -0.33 4.03 0.52 -1.26 -0.28 118.95 123.51 3iio s ARG 133 Ca -0.06 1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 56.67 3iio s ARG 133 Cb -0.02 -3.69 0.10 0.00 0.52 0.00 0.00 34.95 31.87 3iio s ARG 133 CO -0.03 -0.63 0.11 0.08 0.02 0.00 0.00 175.30 174.85 3iio s VAL 134 N 3.20 1.05 -1.35 3.52 1.01 0.80 -4.91 120.40 123.72 3iio s VAL 134 Ca 0.50 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3iio s VAL 134 Cb -0.19 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3iio s VAL 134 CO 0.12 -0.69 1.10 0.47 0.00 0.00 0.00 175.10 176.10 3iio n ASP 135 N 4.66 -5.11 0.00 3.32 8.00 -1.26 -2.16 116.55 124.01 3iio n ASP 135 Ca -0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3iio n ASP 135 Cb 0.41 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 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 -1.78 1.53 3.47 0.44 0.00 -1.26 -5.07 105.19 102.52 3iio n GLY 136 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.90 1.90 -0.26 1.61 0.41 -0.92 -5.10 118.70 115.45 3iio s GLU 137 Ca 0.00 -1.09 -0.27 0.00 -0.41 0.00 0.00 54.97 53.20 3iio s GLU 137 Cb 0.00 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 3iio s GLU 137 CO 0.00 0.51 0.93 -0.06 -0.49 0.00 0.00 175.26 176.15 3iio s PHE 138 N -1.04 3.29 0.08 1.61 0.08 -1.26 -0.14 117.98 120.60 3iio s PHE 138 Ca 0.16 1.23 0.09 0.00 0.12 0.00 0.00 56.93 58.53 3iio s PHE 138 Cb -0.10 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 3iio s PHE 138 CO 0.08 -0.50 -0.24 -1.64 -0.10 0.00 0.00 175.22 172.82 3iio s MET 139 N 3.09 1.75 -0.13 0.44 -1.94 0.62 -0.83 119.30 122.29 3iio s MET 139 Ca 0.39 -1.16 -0.20 0.00 -1.71 0.00 0.00 55.69 53.02 3iio s MET 139 Cb -0.15 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 3iio s MET 139 CO 0.08 0.50 0.55 0.08 -0.01 0.00 0.00 175.02 176.22 3iio s VAL 140 N -0.94 5.12 -0.06 -6.03 1.01 -0.25 -1.13 120.40 118.12 3iio s VAL 140 Ca 0.14 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.25 3iio s VAL 140 Cb -0.10 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3iio s VAL 140 CO 0.05 0.26 -0.21 -0.36 0.00 0.00 0.00 175.10 174.84 3iio s PHE 141 N 1.00 2.54 0.47 5.22 0.40 -0.49 -2.25 117.98 124.87 3iio s PHE 141 Ca 0.28 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.16 3iio s PHE 141 Cb -0.16 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 3iio s PHE 141 CO 0.12 -0.08 0.31 0.95 0.70 0.00 0.00 175.22 177.22 3iio s THR 142 N -0.32 2.12 -0.99 0.64 -4.23 0.24 -4.38 115.64 108.71 3iio s THR 142 Ca 0.02 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3iio s THR 142 Cb -0.13 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 3iio s THR 142 CO 0.02 0.00 0.85 0.00 -0.54 0.00 0.00 174.62 174.96 3iio n TYR 143 N -1.52 -2.12 -3.78 3.99 9.36 -1.26 -1.32 117.16 120.50 3iio n TYR 143 Ca -0.01 0.80 -0.26 0.00 3.32 0.00 0.00 57.90 61.76 3iio n TYR 143 Cb 0.64 -4.27 0.04 0.00 -0.63 0.00 0.00 39.34 35.11 3iio n TYR 143 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3iio n SER 144 N -3.00 -3.44 -0.34 2.98 7.64 -1.26 -2.40 113.62 113.80 3iio n SER 144 Ca -0.14 -0.76 -0.04 0.00 1.01 0.00 0.00 58.87 58.93 3iio n SER 144 Cb 0.62 -4.12 -0.02 0.00 -1.01 0.00 0.00 64.21 59.68 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 0.65 0.09 0.23 0.00 -1.05 -4.89 105.19 98.56 3iio n GLY 145 Ca -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.74 0.63 -3.77 1.61 1.02 -0.65 -4.82 120.64 112.93 3iio n GLU 146 Ca -0.04 0.23 -0.36 0.00 -0.02 0.00 0.00 57.16 56.96 3iio n GLU 146 Cb 0.29 -1.79 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.81 3.77 -0.62 3.49 2.20 -0.44 -4.97 119.74 120.36 3iio s LYS 147 Ca -0.04 -0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 54.87 3iio s LYS 147 Cb 0.08 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3iio s LYS 147 CO 0.82 -0.11 1.18 1.21 -0.36 0.00 0.00 175.35 178.09 3iio s ASN 148 N 1.45 6.36 0.56 1.43 3.84 -1.26 -0.60 114.94 126.72 3iio s ASN 148 Ca 0.06 -0.11 0.34 0.00 0.21 0.00 0.00 52.86 53.35 3iio s ASN 148 Cb -0.15 -2.54 1.58 0.00 -0.55 0.00 0.00 41.25 39.59 3iio s ASN 148 CO 0.05 -1.55 2.08 0.71 -2.79 0.00 0.00 177.10 175.60 3iio h THR 149 N 6.11 0.20 0.00 -5.21 1.35 -1.83 -3.46 112.91 110.06 3iio h THR 149 Ca -0.26 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3iio h THR 149 Cb 1.06 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3iio h THR 149 CO 1.20 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 177.13 3iio n GLY 150 N -0.37 2.24 3.73 5.82 0.00 -1.26 -5.03 105.19 110.32 3iio n GLY 150 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.55 4.86 0.37 -0.61 1.01 -1.26 -4.97 121.20 118.05 3iio s ILE 151 Ca 0.00 1.61 -0.26 0.00 0.00 0.00 0.00 60.65 62.00 3iio s ILE 151 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3iio s ILE 151 CO 0.00 0.30 1.17 -0.76 0.00 0.00 0.00 174.94 175.65 3iio s LEU 152 N 0.36 4.29 0.21 2.97 1.43 -1.26 -1.09 118.68 125.59 3iio s LEU 152 Ca 0.40 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.76 3iio s LEU 152 Cb -0.20 -3.90 0.26 0.00 0.03 0.00 0.00 46.19 42.38 3iio s LEU 152 CO 0.22 -0.54 1.77 0.25 0.23 0.00 0.00 176.35 178.28 3iio h LEU 153 N 2.96 0.34 -1.25 1.79 5.85 -1.30 -1.73 115.31 121.97 3iio h LEU 153 Ca -0.48 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3iio h LEU 153 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3iio h LEU 153 CO 0.64 0.21 0.51 0.08 -0.34 0.00 0.00 178.44 179.53 3iio h ARG 154 N 0.50 1.00 -0.15 1.25 0.11 -1.93 -1.46 114.38 113.69 3iio h ARG 154 Ca 0.30 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 60.21 3iio h ARG 154 Cb 0.30 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3iio h ARG 154 CO -0.25 0.66 -0.34 -0.44 0.10 0.00 0.00 179.97 179.70 3iio h ASP 155 N 1.03 0.56 -0.45 0.08 3.45 -1.83 -3.20 116.42 116.05 3iio h ASP 155 Ca 0.28 -0.57 -0.09 0.00 0.43 0.00 0.00 57.03 57.08 3iio h ASP 155 Cb -0.11 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 3iio h ASP 155 CO -0.06 1.03 -0.07 -0.25 -1.57 0.00 0.00 179.24 178.31 3iio h TRP 156 N 0.12 0.94 -0.33 4.55 -0.00 -1.01 -2.29 115.95 117.93 3iio h TRP 156 Ca 0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 58.89 58.76 3iio h TRP 156 Cb 0.94 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.16 29.81 3iio h TRP 156 CO 0.10 0.93 -0.03 0.28 -0.00 0.00 0.00 178.44 179.72 3iio h VAL 157 N 0.69 0.73 -0.46 2.65 2.07 -1.38 0.25 116.25 120.79 3iio h VAL 157 Ca 0.12 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3iio h VAL 157 Cb 0.60 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3iio h VAL 157 CO 0.04 0.01 0.26 0.58 0.02 0.00 0.00 177.57 178.47 3iio h VAL 158 N 0.06 1.16 -0.29 2.57 2.07 -1.52 -2.24 116.25 118.07 3iio h VAL 158 Ca 0.16 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3iio h VAL 158 Cb 0.23 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3iio h VAL 158 CO -0.29 0.17 -0.16 -0.08 0.02 0.00 0.00 177.57 177.22 3iio h GLU 159 N 0.61 0.51 0.21 1.57 4.57 -1.08 -0.93 114.58 120.03 3iio h GLU 159 Ca 0.16 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3iio h GLU 159 Cb 0.05 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3iio h GLU 159 CO -0.03 0.66 -0.10 0.28 -1.18 0.00 0.00 179.01 178.64 3iio h VAL 160 N 0.46 0.85 -0.17 0.32 2.07 -0.61 0.16 116.25 119.34 3iio h VAL 160 Ca 0.08 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3iio h VAL 160 Cb 0.55 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3iio h VAL 160 CO 0.04 0.09 -0.12 -0.08 0.02 0.00 0.00 177.57 177.52 3iio h GLU 161 N -0.47 -0.11 -0.81 1.57 4.81 -1.30 -2.57 114.58 115.68 3iio h GLU 161 Ca -0.03 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3iio h GLU 161 Cb 0.36 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 3iio h GLU 161 CO 0.05 -0.08 0.53 -0.22 -0.73 0.00 0.00 179.01 178.56 3iio h LYS 162 N -0.12 0.74 0.00 1.92 3.64 -0.94 0.67 116.57 122.48 3iio h LYS 162 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iio h LYS 162 Cb 0.27 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3iio h LYS 162 CO -0.24 0.49 0.00 0.54 -2.27 0.00 0.00 179.45 177.97 3iio n ARG 163 N -4.51 0.22 0.00 1.90 5.12 0.02 -4.94 116.66 114.47 3iio n ARG 163 Ca 0.14 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 3iio n ARG 163 Cb 0.32 -1.84 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 0.54 1.51 3.74 -0.13 0.00 0.23 -2.99 105.19 108.10 3iio n GLY 164 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3iio n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 165 N -2.00 2.60 -0.14 4.61 0.00 -0.99 -4.42 121.76 121.43 3iio s ALA 165 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.27 3iio s ALA 165 Cb 0.00 -3.55 -0.23 0.00 0.00 0.00 0.00 23.12 19.33 3iio s ALA 165 CO 0.00 -1.46 0.29 0.41 0.00 0.00 0.00 175.76 175.00 3iio n GLY 166 N 0.79 -0.72 3.54 0.00 0.00 -0.52 -4.79 105.19 103.49 3iio n GLY 166 Ca 0.13 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.55 1.52 -0.15 1.61 -1.05 -1.09 -4.12 118.70 112.86 3iio s GLU 167 Ca -0.18 -1.32 0.01 0.00 -0.15 0.00 0.00 54.97 53.33 3iio s GLU 167 Cb 0.07 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3iio s GLU 167 CO 0.76 -0.62 -0.16 0.42 0.95 0.00 0.00 175.26 176.62 3iio s ILE 168 N -4.00 1.70 -0.37 1.83 1.01 -0.26 -1.88 121.20 119.23 3iio s ILE 168 Ca 0.25 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 3iio s ILE 168 Cb 0.00 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3iio s ILE 168 CO 0.10 0.48 0.86 -0.69 0.00 0.00 0.00 174.94 175.68 3iio s VAL 169 N 1.40 4.65 -0.53 2.92 1.01 -0.69 0.11 120.40 129.26 3iio s VAL 169 Ca 0.04 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 3iio s VAL 169 Cb -0.13 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.07 3iio s VAL 169 CO -0.11 -0.51 0.53 -0.22 0.00 0.00 0.00 175.10 174.79 3iio s LEU 170 N 3.31 5.74 -0.22 3.92 2.96 0.12 -0.23 118.68 134.28 3iio s LEU 170 Ca 0.35 -1.49 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 3iio s LEU 170 Cb -0.12 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 3iio s LEU 170 CO 0.18 -0.86 0.13 -0.83 -1.32 0.00 0.00 176.35 173.66 3iio s GLY 171 N 3.23 1.97 -0.48 7.98 0.00 -0.38 -2.40 107.32 117.24 3iio s GLY 171 Ca 0.06 -0.83 -0.19 0.00 0.00 0.00 0.00 44.72 43.76 3iio s GLY 171 CO 0.06 0.28 0.61 -0.45 0.00 0.00 0.00 173.10 173.60 3iio s SER 172 N 0.80 6.25 0.38 1.64 0.15 -1.13 -1.29 113.70 120.49 3iio s SER 172 Ca 0.07 -0.70 0.10 0.00 0.70 0.00 0.00 55.95 56.12 3iio s SER 172 Cb -0.13 -2.29 0.87 0.00 -1.71 0.00 0.00 66.02 62.75 3iio s SER 172 CO 0.02 -0.83 1.92 0.40 1.20 0.00 0.00 173.24 175.95 3iio h ILE 173 N 5.85 0.88 0.00 6.45 2.04 -1.64 -0.05 117.51 131.05 3iio h ILE 173 Ca -0.27 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3iio h ILE 173 Cb 1.10 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3iio h ILE 173 CO 0.92 0.11 0.00 0.47 0.00 0.00 0.00 178.15 179.66 3iio n ASP 174 N -4.51 0.00 -0.02 1.72 8.00 -1.26 -1.88 116.55 118.59 3iio n ASP 174 Ca 0.14 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3iio n ASP 174 Cb 0.41 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.27 1.42 -1.76 -1.24 5.12 -0.05 -4.98 116.66 113.91 3iio n ARG 175 Ca 0.03 -1.12 -0.42 0.00 -1.93 0.00 0.00 57.85 54.40 3iio n ARG 175 Cb 0.04 -1.01 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 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 -0.62 4.40 0.00 0.55 2.96 -0.79 -1.84 118.68 123.35 3iio s LEU 176 Ca 0.01 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3iio s LEU 176 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3iio s LEU 176 CO 0.01 -1.00 0.00 0.61 -1.32 0.00 0.00 176.35 174.64 3iio n GLY 177 N 4.34 0.70 3.94 7.98 0.00 -1.26 -5.02 105.19 115.87 3iio n GLY 177 Ca 0.18 0.00 -0.26 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 -2.80 5.26 -0.18 2.61 -4.23 -0.76 -5.01 115.64 110.52 3iio s THR 178 Ca 0.00 -0.61 0.15 0.00 -1.18 0.00 0.00 61.69 60.05 3iio s THR 178 Cb 0.00 -3.76 0.44 0.00 1.34 0.00 0.00 72.50 70.51 3iio s THR 178 CO 0.00 -0.19 1.19 0.29 -0.54 0.00 0.00 174.62 175.38 3iio n LYS 179 N -0.80 1.62 0.00 3.99 4.76 -1.25 -3.98 118.16 122.50 3iio n LYS 179 Ca -0.06 -3.19 0.08 0.00 -2.87 0.00 0.00 58.31 52.27 3iio n LYS 179 Cb 0.54 -1.38 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.64 1.32 0.00 4.39 3.41 -1.06 -3.97 113.62 117.07 3iio n SER 180 Ca 0.20 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3iio n SER 180 Cb 0.85 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 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 1.31 4.10 3.76 5.00 0.00 -0.19 -4.98 105.19 114.19 3iio n GLY 181 Ca 0.06 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 2.47 -1.22 1.61 2.02 -1.26 -4.18 117.35 114.79 3iio s TYR 182 Ca 0.00 1.57 -0.20 0.00 -0.37 0.00 0.00 57.07 58.07 3iio s TYR 182 Cb 0.00 -3.23 0.03 0.00 -0.40 0.00 0.00 41.96 38.36 3iio s TYR 182 CO 0.00 -1.92 1.73 0.34 -1.57 0.00 0.00 175.55 174.14 3iio s ASP 183 N -2.51 6.40 0.41 2.29 -1.08 -1.26 -4.80 116.67 116.12 3iio s ASP 183 Ca 0.68 -2.07 0.17 0.00 -0.52 0.00 0.00 52.55 50.81 3iio s ASP 183 Cb -0.22 -2.58 0.90 0.00 -1.46 0.00 0.00 42.92 39.56 3iio s ASP 183 CO 0.43 -1.62 1.89 0.71 0.52 0.00 0.00 175.17 177.10 3iio h THR 184 N 5.96 1.06 -0.52 1.71 1.35 -1.93 -1.57 112.91 118.97 3iio h THR 184 Ca 0.35 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 65.10 3iio h THR 184 Cb 0.91 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 3iio h THR 184 CO 1.40 0.29 0.15 -0.08 -0.25 0.00 0.00 175.52 177.03 3iio h GLU 185 N 0.00 0.83 -0.41 4.72 4.81 -1.98 0.97 114.58 123.51 3iio h GLU 185 Ca -0.00 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 3iio h GLU 185 Cb 0.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3iio h GLU 185 CO 0.04 0.78 -0.27 1.98 -0.73 0.00 0.00 179.01 180.80 3iio h MET 186 N 0.73 0.87 0.18 1.92 4.05 -1.87 -0.86 114.93 119.94 3iio h MET 186 Ca 0.17 -0.39 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 3iio h MET 186 Cb 0.31 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3iio h MET 186 CO -0.00 1.03 -0.09 0.82 0.23 0.00 0.00 176.91 178.90 3iio h ILE 187 N 0.74 0.84 -0.43 1.77 2.04 -1.06 -2.66 117.51 118.75 3iio h ILE 187 Ca 0.09 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3iio h ILE 187 Cb 0.83 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3iio h ILE 187 CO 0.07 0.02 0.29 0.03 0.00 0.00 0.00 178.15 178.57 3iio h ARG 188 N -0.29 0.29 -0.58 2.37 3.08 -0.80 -0.23 114.38 118.22 3iio h ARG 188 Ca -0.02 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3iio h ARG 188 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3iio h ARG 188 CO 0.04 0.19 -0.01 0.35 -1.07 0.00 0.00 179.97 179.47 3iio h PHE 189 N 0.30 1.12 0.06 3.04 3.57 -0.98 -3.27 116.94 120.77 3iio h PHE 189 Ca 0.19 -0.20 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 3iio h PHE 189 Cb 0.38 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3iio h PHE 189 CO -0.00 1.00 -1.37 0.28 -2.23 0.00 0.00 178.31 176.00 3iio h VAL 190 N 0.92 1.31 -0.50 1.41 2.07 -1.02 -3.40 116.25 117.03 3iio h VAL 190 Ca 0.16 -3.01 0.10 0.00 0.82 0.00 0.00 66.70 64.77 3iio h VAL 190 Cb 0.56 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 32.97 3iio h VAL 190 CO 0.03 0.81 -0.26 -0.09 0.02 0.00 0.00 177.57 178.09 3iio h ARG 191 N 0.03 -0.13 0.00 1.57 9.65 -1.12 0.18 114.38 124.56 3iio h ARG 191 Ca -0.17 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3iio h ARG 191 Cb 1.93 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.54 3iio h ARG 191 CO 0.14 -0.09 0.00 -0.35 2.80 0.00 0.00 179.97 182.47 3iio n PRO 192 N -5.42 0.13 0.01 0.20 -0.04 -1.26 -3.48 135.00 125.13 3iio n PRO 192 Ca 0.04 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3iio n PRO 192 Cb 0.33 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 3iio n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iio n LEU 193 N -1.30 0.55 -3.90 1.53 4.77 0.64 -4.93 117.00 114.35 3iio n LEU 193 Ca 0.04 -0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 3iio n LEU 193 Cb 0.08 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3iio n LEU 193 CO 0.07 0.08 -0.28 0.28 -1.33 0.00 0.00 177.39 176.22 3iio s THR 194 N -3.24 0.06 -2.09 -5.08 -1.32 -1.22 -4.65 115.64 98.11 3iio s THR 194 Ca 0.01 -0.52 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 3iio s THR 194 Cb 0.15 -0.25 0.18 0.00 -1.51 0.00 0.00 72.50 71.07 3iio s THR 194 CO 0.85 -0.29 1.36 0.35 -2.21 0.00 0.00 174.62 174.69 3iio n THR 195 N 2.08 0.00 -1.96 5.08 -2.24 -1.26 -4.88 114.28 111.10 3iio n THR 195 Ca -0.19 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 3iio n THR 195 Cb 0.57 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.38 3.45 0.25 3.22 1.43 -1.26 -4.99 118.68 118.39 3iio s LEU 196 Ca 0.24 1.82 -0.31 0.00 -1.03 0.00 0.00 54.13 54.85 3iio s LEU 196 Cb 0.19 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.75 3iio s LEU 196 CO 0.50 -1.25 1.52 -2.65 0.23 0.00 0.00 176.35 174.70 3iio n PRO 197 N -2.19 2.37 -4.18 1.29 -0.02 -1.26 -4.88 135.00 126.13 3iio n PRO 197 Ca 0.09 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 62.07 3iio n PRO 197 Cb 0.53 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.15 3.71 -0.29 4.25 1.01 -1.26 -1.10 121.20 127.66 3iio s ILE 198 Ca 0.68 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 3iio s ILE 198 Cb -0.58 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3iio s ILE 198 CO 0.47 0.45 0.09 -0.63 0.00 0.00 0.00 174.94 175.32 3iio s ILE 199 N 0.91 4.12 0.02 2.92 1.09 0.12 -0.63 121.20 129.75 3iio s ILE 199 Ca -0.00 -0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 58.65 3iio s ILE 199 Cb -0.15 -3.10 -0.05 0.00 -1.06 0.00 0.00 42.46 38.11 3iio s ILE 199 CO 0.01 0.10 1.15 0.00 -0.10 0.00 0.00 174.94 176.11 3iio s ALA 200 N 1.53 3.37 0.00 9.38 0.00 -0.34 0.11 121.76 135.81 3iio s ALA 200 Ca 0.03 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 3iio s ALA 200 Cb -0.17 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 3iio s ALA 200 CO 0.03 -0.46 -0.00 -1.58 0.00 0.00 0.00 175.76 173.75 3iio s HIS 201 N 1.30 0.02 0.00 0.00 5.04 -1.01 -0.61 115.29 120.03 3iio s HIS 201 Ca 0.57 -0.04 0.00 0.00 -1.54 0.00 0.00 55.06 54.05 3iio s HIS 201 Cb -0.27 -0.01 0.00 0.00 0.04 0.00 0.00 32.58 32.34 3iio s HIS 201 CO 0.27 -0.01 0.00 0.54 -2.34 0.00 0.00 174.74 173.20 3iio n ARG 202 N 2.97 0.00 0.00 2.88 1.74 -1.26 -2.86 116.66 120.13 3iio n ARG 202 Ca -0.13 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3iio n ARG 202 Cb 0.60 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 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 0.64 1.27 3.62 -0.13 0.00 -1.24 -4.16 105.19 105.19 3iio n GLY 203 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3iio n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio n ALA 204 N 0.00 -0.06 0.00 4.61 0.00 -1.26 -1.02 120.51 122.78 3iio n ALA 204 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3iio n ALA 204 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3iio n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iio n GLY 205 N 2.83 0.00 3.25 0.00 0.00 -1.25 -4.63 105.19 105.39 3iio n GLY 205 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.22 0.93 0.28 1.61 -2.85 -1.26 -4.85 119.74 112.38 3iio s LYS 206 Ca 0.00 -0.93 -0.00 0.00 -1.00 0.00 0.00 55.97 54.04 3iio s LYS 206 Cb 0.00 0.38 0.65 0.00 -2.06 0.00 0.00 37.83 36.79 3iio s LYS 206 CO 0.00 -0.32 1.64 0.52 0.10 0.00 0.00 175.35 177.29 3iio h MET 207 N 2.64 0.18 -0.26 1.78 2.86 -1.99 -0.48 114.93 119.66 3iio h MET 207 Ca -0.34 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3iio h MET 207 Cb 1.22 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3iio h MET 207 CO 0.53 0.12 0.19 0.93 1.06 0.00 0.00 176.91 179.74 3iio h GLU 208 N 0.18 0.00 -0.30 1.72 3.07 -1.99 -2.35 114.58 114.91 3iio h GLU 208 Ca 0.52 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 3iio h GLU 208 Cb 1.02 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 3iio h GLU 208 CO -0.66 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 177.40 3iio h HIS 209 N 0.00 0.47 -0.43 4.33 3.86 -1.50 -2.15 115.15 119.74 3iio h HIS 209 Ca 0.12 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 3iio h HIS 209 Cb 0.50 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3iio h HIS 209 CO 0.00 0.47 -0.21 0.74 0.86 0.00 0.00 177.93 179.79 3iio h PHE 210 N 0.45 1.04 0.15 2.45 0.04 -1.54 -2.05 116.94 117.47 3iio h PHE 210 Ca 0.10 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 3iio h PHE 210 Cb 0.29 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3iio h PHE 210 CO 0.01 1.05 -0.10 1.25 -0.60 0.00 0.00 178.31 179.92 3iio h LEU 211 N 0.73 -0.25 -0.62 1.54 5.85 -1.45 -1.77 115.31 119.33 3iio h LEU 211 Ca 0.09 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.95 3iio h LEU 211 Cb 0.78 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 3iio h LEU 211 CO 0.06 -0.16 0.12 -0.33 -0.34 0.00 0.00 178.44 177.80 3iio h GLU 212 N -0.25 0.24 -0.76 1.25 5.08 -1.40 -0.59 114.58 118.15 3iio h GLU 212 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3iio h GLU 212 Cb 0.21 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3iio h GLU 212 CO 0.00 0.16 0.26 0.00 -1.00 0.00 0.00 179.01 178.43 3iio h ALA 213 N 1.51 1.00 -0.26 3.43 0.00 -1.11 -1.47 119.26 122.35 3iio h ALA 213 Ca 0.33 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3iio h ALA 213 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iio h ALA 213 CO -0.43 0.66 -0.48 0.74 0.00 0.00 0.00 179.25 179.74 3iio h PHE 214 N 1.13 0.88 -0.92 0.00 0.04 -0.92 -1.86 116.94 115.29 3iio h PHE 214 Ca 0.25 -0.29 0.07 0.00 2.80 0.00 0.00 57.97 60.80 3iio h PHE 214 Cb 0.28 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 3iio h PHE 214 CO 0.02 1.06 0.58 -0.07 -0.60 0.00 0.00 178.31 179.30 3iio h LEU 215 N 0.57 0.92 -1.12 1.54 3.38 -0.94 -1.67 115.31 117.99 3iio h LEU 215 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iio h LEU 215 Cb 1.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3iio h LEU 215 CO 0.10 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3iio h ALA 216 N 1.43 1.00 0.00 1.53 0.00 -1.08 -3.46 119.26 118.68 3iio h ALA 216 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3iio h ALA 216 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iio h ALA 216 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 3iio n GLY 217 N -0.23 1.34 3.75 0.00 0.00 -0.63 -3.77 105.19 105.65 3iio n GLY 217 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.52 -0.26 4.61 0.00 -0.73 -4.80 121.76 122.10 3iio s ALA 218 Ca 0.00 1.17 0.22 0.00 0.00 0.00 0.00 51.96 53.34 3iio s ALA 218 Cb 0.00 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.70 3iio s ALA 218 CO 0.00 -0.56 1.15 -0.44 0.00 0.00 0.00 175.76 175.91 3iio h ASP 219 N 4.52 0.00 -5.08 0.00 3.32 -1.21 -3.41 116.42 114.56 3iio h ASP 219 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3iio h ASP 219 Cb 1.22 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 3iio h ASP 219 CO 0.72 0.09 -0.28 0.00 -1.72 0.00 0.00 179.24 178.06 3iio s ALA 220 N -3.26 -0.57 -0.07 3.45 0.00 -0.77 -2.03 121.76 118.52 3iio s ALA 220 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3iio s ALA 220 Cb 0.08 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3iio s ALA 220 CO 0.77 -0.45 -0.05 0.00 0.00 0.00 0.00 175.76 176.03 3iio s ALA 221 N -2.97 0.89 -0.13 0.00 0.00 -0.94 -1.20 121.76 117.42 3iio s ALA 221 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 3iio s ALA 221 Cb 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3iio s ALA 221 CO -0.06 -0.22 0.02 0.21 0.00 0.00 0.00 175.76 175.71 3iio s LYS 222 N 1.38 3.40 0.24 0.00 2.20 0.22 -1.14 119.74 126.04 3iio s LYS 222 Ca -0.03 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3iio s LYS 222 Cb -0.13 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3iio s LYS 222 CO -0.03 0.52 0.26 0.00 -0.36 0.00 0.00 175.35 175.74 3iio s ALA 223 N -0.37 0.95 0.00 3.13 0.00 -0.68 -4.47 121.76 120.31 3iio s ALA 223 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3iio s ALA 223 Cb -0.12 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.32 3iio s ALA 223 CO 0.02 -0.67 0.00 -0.40 0.00 0.00 0.00 175.76 174.71 3iio n ASP 224 N -0.59 0.00 -0.02 0.00 3.85 -1.26 -0.90 116.55 117.63 3iio n ASP 224 Ca 0.02 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 54.13 3iio n ASP 224 Cb 0.64 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.80 3iio n ASP 224 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3iio h SER 225 N 0.00 0.51 -1.03 -1.12 4.64 -1.97 0.98 113.55 115.55 3iio h SER 225 Ca 0.00 -0.03 0.26 0.00 -0.47 0.00 0.00 61.79 61.56 3iio h SER 225 Cb 0.00 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 61.87 3iio h SER 225 CO 0.00 0.40 0.67 0.58 -0.87 0.00 0.00 176.83 177.61 3iio h VAL 226 N 0.59 0.53 0.09 0.95 2.07 -1.93 0.78 116.25 119.33 3iio h VAL 226 Ca 0.15 -0.13 -0.30 0.00 0.82 0.00 0.00 66.70 67.25 3iio h VAL 226 Cb -0.00 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3iio h VAL 226 CO -0.03 0.07 -1.59 -0.26 0.02 0.00 0.00 177.57 175.78 3iio h PHE 227 N 0.37 0.35 -0.67 1.57 0.04 -1.06 -0.70 116.94 116.84 3iio h PHE 227 Ca 0.58 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 3iio h PHE 227 Cb 1.51 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.62 3iio h PHE 227 CO -0.00 1.62 0.30 0.45 -0.60 0.00 0.00 178.31 180.08 3iio h HIS 228 N -0.35 0.99 -0.38 -0.55 3.86 -1.04 -2.54 115.15 115.14 3iio h HIS 228 Ca -0.36 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3iio h HIS 228 Cb 1.74 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.91 3iio h HIS 228 CO 0.10 0.75 0.00 1.19 0.86 0.00 0.00 177.93 180.84 3iio n PHE 229 N -4.43 0.73 -2.86 2.45 0.99 0.27 -0.86 117.46 113.74 3iio n PHE 229 Ca 0.05 -0.31 -0.20 0.00 -0.00 0.00 0.00 57.45 56.99 3iio n PHE 229 Cb 0.15 -0.10 0.01 0.00 -1.00 0.00 0.00 39.48 38.54 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 0.59 -3.39 0.03 -1.08 1.74 -0.96 -4.88 116.66 108.71 3iio n ARG 230 Ca 0.14 0.77 -0.09 0.00 -0.77 0.00 0.00 57.85 57.90 3iio n ARG 230 Cb 0.47 -5.51 0.05 0.00 -1.02 0.00 0.00 32.46 26.46 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 -0.74 0.47 -4.70 5.56 5.08 -1.43 -3.42 114.58 115.39 3iio h GLU 231 Ca -0.45 -0.33 -0.58 0.00 -1.00 0.00 0.00 59.36 57.00 3iio h GLU 231 Cb 1.32 0.05 -0.35 0.00 0.50 0.00 0.00 28.75 30.28 3iio h GLU 231 CO 0.52 0.95 -0.83 0.42 -1.00 0.00 0.00 179.01 179.06 3iio s ILE 232 N -3.82 1.44 -0.01 3.13 1.01 -0.53 -5.00 121.20 117.43 3iio s ILE 232 Ca -0.06 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 3iio s ILE 232 Cb 0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3iio s ILE 232 CO 0.84 0.43 0.83 -0.62 0.00 0.00 0.00 174.94 176.41 3iio s ASP 233 N 0.97 7.20 0.18 3.58 2.15 -1.26 -4.41 116.67 125.08 3iio s ASP 233 Ca -0.07 1.45 -0.12 0.00 0.43 0.00 0.00 52.55 54.24 3iio s ASP 233 Cb -0.15 -2.49 0.08 0.00 -0.30 0.00 0.00 42.92 40.06 3iio s ASP 233 CO -0.01 -0.13 1.77 0.58 -0.17 0.00 0.00 175.17 177.21 3iio h VAL 234 N 4.58 1.21 0.10 1.11 2.07 -1.95 0.55 116.25 123.91 3iio h VAL 234 Ca -0.42 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3iio h VAL 234 Cb 1.21 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3iio h VAL 234 CO 0.74 0.24 -0.05 -0.09 0.02 0.00 0.00 177.57 178.43 3iio h ARG 235 N 0.83 -0.12 -0.67 1.57 9.65 -1.95 -1.21 114.38 122.48 3iio h ARG 235 Ca 0.21 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.23 3iio h ARG 235 Cb 0.11 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.62 3iio h ARG 235 CO -0.03 0.11 0.18 0.93 2.80 0.00 0.00 179.97 183.96 3iio h GLU 236 N -0.34 0.31 -0.05 0.20 5.08 -1.93 -1.13 114.58 116.72 3iio h GLU 236 Ca -0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3iio h GLU 236 Cb 0.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3iio h GLU 236 CO 0.02 0.20 -0.13 1.25 -1.00 0.00 0.00 179.01 179.35 3iio h LEU 237 N 0.31 -0.40 -0.92 1.33 5.85 -0.74 -0.61 115.31 120.15 3iio h LEU 237 Ca 0.36 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 59.07 3iio h LEU 237 Cb 0.55 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3iio h LEU 237 CO -0.42 -0.18 0.03 0.11 -0.34 0.00 0.00 178.44 177.64 3iio h LYS 238 N -0.20 0.83 -0.46 1.25 1.57 -0.72 -0.63 116.57 118.20 3iio h LYS 238 Ca 0.06 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3iio h LYS 238 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3iio h LYS 238 CO -0.17 0.81 0.21 0.93 -0.57 0.00 0.00 179.45 180.66 3iio h GLU 239 N 0.78 0.68 -0.55 3.15 5.08 -0.98 -0.95 114.58 121.79 3iio h GLU 239 Ca 0.16 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3iio h GLU 239 Cb 0.42 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3iio h GLU 239 CO 0.02 0.60 0.33 -0.92 -1.00 0.00 0.00 179.01 178.03 3iio h TYR 240 N 0.60 0.61 -0.31 4.33 3.20 -0.64 0.06 116.97 124.82 3iio h TYR 240 Ca 0.16 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3iio h TYR 240 Cb 0.15 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3iio h TYR 240 CO -0.00 0.34 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.73 3iio h LEU 241 N 0.64 0.59 -0.61 2.82 3.38 -0.90 -2.70 115.31 118.53 3iio h LEU 241 Ca 0.22 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3iio h LEU 241 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3iio h LEU 241 CO -0.11 0.80 0.37 0.50 0.09 0.00 0.00 178.44 180.09 3iio h LYS 242 N 0.36 0.83 -0.95 1.13 1.63 -1.04 -0.67 116.57 117.86 3iio h LYS 242 Ca 0.08 -0.08 0.18 0.00 -0.85 0.00 0.00 60.65 59.98 3iio h LYS 242 Cb 0.53 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 31.90 3iio h LYS 242 CO 0.03 0.60 0.60 -0.22 -3.45 0.00 0.00 179.45 177.01 3iio h LYS 243 N 0.83 0.62 -0.52 1.90 3.64 -0.85 -2.77 116.57 119.42 3iio h LYS 243 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3iio h LYS 243 Cb -0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3iio h LYS 243 CO -0.04 0.41 0.00 0.72 -2.27 0.00 0.00 179.45 178.27 3iio n HIS 244 N -4.62 1.87 -0.14 1.91 8.25 -0.93 -4.93 115.22 116.62 3iio n HIS 244 Ca 0.20 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3iio n HIS 244 Cb 0.58 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 0.41 0.87 3.77 -1.41 0.00 -1.04 -5.06 105.19 102.73 3iio n GLY 245 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.05 4.93 -0.85 1.61 1.01 -0.30 -5.00 120.40 119.74 3iio s VAL 246 Ca 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 3iio s VAL 246 Cb 0.00 -3.89 0.17 0.00 0.00 0.00 0.00 36.38 32.66 3iio s VAL 246 CO 0.00 0.45 0.93 0.21 0.00 0.00 0.00 175.10 176.69 3iio s ASN 247 N -0.34 6.65 0.08 3.32 2.47 -1.26 -3.84 114.94 122.02 3iio s ASN 247 Ca 0.29 -2.28 0.07 0.00 0.42 0.00 0.00 52.86 51.37 3iio s ASN 247 Cb -0.18 -2.31 -0.04 0.00 -1.45 0.00 0.00 41.25 37.28 3iio s ASN 247 CO 0.16 -0.85 -0.15 0.68 -3.72 0.00 0.00 177.10 173.22 3iio s VAL 248 N 1.57 3.05 -0.44 -5.21 -7.23 -1.26 0.12 120.40 111.00 3iio s VAL 248 Ca 0.24 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 3iio s VAL 248 Cb -0.09 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.49 3iio s VAL 248 CO -0.08 0.19 1.36 -0.60 -0.31 0.00 0.00 175.10 175.67 3iio s ARG 249 N -1.90 3.57 0.00 4.82 3.00 -1.26 -4.97 118.95 122.20 3iio s ARG 249 Ca 0.18 0.81 0.21 0.00 -1.00 0.00 0.00 55.73 55.92 3iio s ARG 249 Cb -0.11 -4.01 0.16 0.00 0.00 0.00 0.00 34.95 30.99 3iio s ARG 249 CO 0.10 -1.58 1.15 1.28 0.00 0.00 0.00 175.30 176.25