#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 4.02 0.10 0.00 -0.14 0.13 -4.96 119.74 118.89 3iio s LYS 4 Ca 0.00 -0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.14 3iio s LYS 4 Cb 0.00 -3.40 -0.07 0.00 -1.68 0.00 0.00 37.83 32.68 3iio s LYS 4 CO 0.00 0.14 0.55 1.03 -0.76 0.00 0.00 175.35 176.31 3iio s ARG 5 N 0.79 4.08 -0.17 1.68 0.52 -0.87 -4.39 118.95 120.58 3iio s ARG 5 Ca 0.06 0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 55.82 3iio s ARG 5 Cb -0.13 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 3iio s ARG 5 CO 0.02 0.57 0.00 0.42 0.02 0.00 0.00 175.30 176.33 3iio s ILE 6 N -1.27 4.18 -0.02 1.52 -1.09 -1.26 -0.66 121.20 122.60 3iio s ILE 6 Ca 0.32 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 3iio s ILE 6 Cb -0.17 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 3iio s ILE 6 CO 0.18 0.47 -0.21 -1.81 -1.23 0.00 0.00 174.94 172.34 3iio s ASP 7 N 0.49 2.50 -0.13 3.58 1.01 0.23 -1.38 116.67 122.96 3iio s ASP 7 Ca -0.01 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.88 3iio s ASP 7 Cb -0.14 -0.38 0.00 0.00 1.01 0.00 0.00 42.92 43.41 3iio s ASP 7 CO 0.02 0.24 -0.19 0.00 0.21 0.00 0.00 175.17 175.45 3iio s ALA 8 N -0.39 2.36 -0.22 5.23 0.00 -1.03 -1.07 121.76 126.65 3iio s ALA 8 Ca 0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 3iio s ALA 8 Cb -0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3iio s ALA 8 CO 0.00 0.08 0.11 0.00 0.00 0.00 0.00 175.76 175.95 3iio s ALA 9 N 0.64 3.47 -0.41 0.00 0.00 -1.02 -2.23 121.76 122.21 3iio s ALA 9 Ca -0.10 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 3iio s ALA 9 Cb -0.16 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.90 3iio s ALA 9 CO 0.02 -0.10 0.26 -0.51 0.00 0.00 0.00 175.76 175.43 3iio s LEU 10 N 0.88 5.11 0.02 0.00 1.02 0.38 -4.59 118.68 121.50 3iio s LEU 10 Ca 0.06 -1.45 -0.30 0.00 0.02 0.00 0.00 54.13 52.46 3iio s LEU 10 Cb -0.13 -1.99 -0.06 0.00 0.02 0.00 0.00 46.19 44.03 3iio s LEU 10 CO 0.03 -0.52 1.32 -0.63 0.02 0.00 0.00 176.35 176.57 3iio s ILE 11 N 1.44 3.80 -0.04 -0.59 1.09 -1.26 -2.03 121.20 123.61 3iio s ILE 11 Ca 0.03 1.22 -0.02 0.00 -1.10 0.00 0.00 60.65 60.79 3iio s ILE 11 Cb -0.23 -3.79 0.03 0.00 -1.06 0.00 0.00 42.46 37.42 3iio s ILE 11 CO 0.03 0.03 0.07 -0.69 -0.10 0.00 0.00 174.94 174.28 3iio s VAL 12 N 1.87 -0.10 -0.04 2.92 1.01 0.75 -1.61 120.40 125.19 3iio s VAL 12 Ca 0.62 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.96 3iio s VAL 12 Cb -0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3iio s VAL 12 CO 0.27 0.13 -0.20 -0.75 0.00 0.00 0.00 175.10 174.55 3iio s LYS 13 N 1.65 1.92 -1.66 2.72 2.20 -0.29 -1.75 119.74 124.54 3iio s LYS 13 Ca -0.02 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 54.71 3iio s LYS 13 Cb -0.12 -1.70 0.14 0.00 -1.51 0.00 0.00 37.83 34.63 3iio s LYS 13 CO -0.04 0.33 0.82 -0.25 -0.36 0.00 0.00 175.35 175.85 3iio n ASP 14 N 2.94 -3.52 0.00 1.43 8.00 -1.26 -0.06 116.55 124.08 3iio n ASP 14 Ca -0.17 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3iio n ASP 14 Cb 0.53 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 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 -1.48 0.45 3.82 0.44 0.00 -1.26 -5.01 105.19 102.14 3iio n GLY 15 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.59 3.01 -0.35 1.61 1.81 0.91 -4.42 118.95 120.93 3iio s ARG 16 Ca 0.00 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 3iio s ARG 16 Cb 0.00 -2.76 0.02 0.00 -0.45 0.00 0.00 34.95 31.75 3iio s ARG 16 CO 0.00 0.54 1.15 0.08 -0.68 0.00 0.00 175.30 176.39 3iio s VAL 17 N -1.54 4.35 -0.11 3.52 1.01 0.51 -1.13 120.40 127.00 3iio s VAL 17 Ca 0.31 1.51 -0.31 0.00 0.00 0.00 0.00 61.98 63.49 3iio s VAL 17 Cb -0.12 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 3iio s VAL 17 CO 0.24 -0.61 2.06 0.52 0.00 0.00 0.00 175.10 177.31 3iio n VAL 18 N 6.19 0.53 -0.94 2.92 0.31 -0.63 -1.56 118.33 125.15 3iio n VAL 18 Ca 0.13 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3iio n VAL 18 Cb 0.47 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 7.83 0.00 0.00 5.55 5.02 -1.26 -4.88 118.16 130.42 3iio n LYS 19 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3iio n LYS 19 Cb 0.38 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.02 2.26 0.00 0.72 0.00 -0.60 -4.97 105.19 100.58 3iio n GLY 20 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3iio n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iio n SER 21 N -0.34 0.00 -0.46 1.61 3.41 -1.25 -4.87 113.62 111.72 3iio n SER 21 Ca 0.00 -0.88 0.05 0.00 -0.26 0.00 0.00 58.87 57.78 3iio n SER 21 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3iio n SER 21 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iio n ASN 22 N -1.25 2.26 -4.60 4.04 4.13 -0.50 -4.94 115.26 114.39 3iio n ASN 22 Ca 0.00 -1.68 -0.42 0.00 1.68 0.00 0.00 54.58 54.16 3iio n ASN 22 Cb 0.00 -0.09 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 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 -0.89 3.10 -0.33 3.10 0.40 -1.26 -4.93 117.98 117.17 3iio s PHE 23 Ca 0.15 0.68 0.16 0.00 -0.60 0.00 0.00 56.93 57.32 3iio s PHE 23 Cb 0.09 -3.52 0.59 0.00 0.51 0.00 0.00 43.02 40.69 3iio s PHE 23 CO 0.13 -0.77 1.49 0.39 0.70 0.00 0.00 175.22 177.16 3iio n GLU 24 N 6.59 3.40 0.09 0.44 4.71 -1.26 -4.09 120.64 130.52 3iio n GLU 24 Ca 0.05 -2.84 0.04 0.00 -0.01 0.00 0.00 57.16 54.40 3iio n GLU 24 Cb 0.48 -1.89 -0.02 0.00 -1.01 0.00 0.00 31.44 29.01 3iio n GLU 24 CO 0.00 0.00 0.00 -2.95 0.09 0.00 0.00 177.13 174.27 3iio h ASN 25 N 2.45 0.00 -3.99 1.62 -1.07 -2.02 -3.47 115.58 109.10 3iio h ASN 25 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.89 3iio h ASN 25 Cb 1.50 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.76 3iio h ASN 25 CO 0.26 0.37 0.40 -0.76 0.07 0.00 0.00 177.43 177.76 3iio s LEU 26 N -5.87 4.08 0.00 6.14 1.43 -1.26 -5.02 118.68 118.17 3iio s LEU 26 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3iio s LEU 26 Cb 0.08 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 42.02 3iio s LEU 26 CO 0.78 -0.51 0.95 0.54 0.23 0.00 0.00 176.35 178.34 3iio n ARG 27 N -0.26 0.00 -3.62 1.70 1.74 -1.26 -4.56 116.66 110.40 3iio n ARG 27 Ca 0.06 0.53 -0.39 0.00 -0.77 0.00 0.00 57.85 57.28 3iio n ARG 27 Cb 0.51 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.38 3iio n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3iio s ASP 28 N -2.16 5.69 0.45 0.55 2.15 -1.26 -4.98 116.67 117.12 3iio s ASP 28 Ca 0.00 -0.46 0.16 0.00 0.43 0.00 0.00 52.55 52.68 3iio s ASP 28 Cb 0.00 -2.04 1.04 0.00 -0.30 0.00 0.00 42.92 41.62 3iio s ASP 28 CO 0.00 -0.19 2.00 -1.28 -0.17 0.00 0.00 175.17 175.53 3iio h SER 29 N 8.38 0.00 -0.43 -0.34 0.87 -1.82 -3.18 113.55 117.04 3iio h SER 29 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3iio h SER 29 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3iio h SER 29 CO 0.61 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 3iio n GLY 30 N -0.97 3.04 3.66 5.77 0.00 -1.26 -3.90 105.19 111.53 3iio n GLY 30 Ca -0.02 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.20 6.74 0.39 1.61 2.15 -1.20 -0.36 116.67 124.80 3iio s ASP 31 Ca 0.36 0.91 0.07 0.00 0.43 0.00 0.00 52.55 54.32 3iio s ASP 31 Cb 0.23 -2.37 0.80 0.00 -0.30 0.00 0.00 42.92 41.28 3iio s ASP 31 CO 0.18 -0.31 2.01 -0.65 -0.17 0.00 0.00 175.17 176.23 3iio h PRO 32 N 7.47 0.51 -0.01 4.34 0.11 -1.89 -1.91 132.00 140.62 3iio h PRO 32 Ca -0.31 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3iio h PRO 32 Cb 1.14 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3iio h PRO 32 CO 0.79 0.40 -0.40 0.28 -0.21 0.00 0.00 178.00 178.86 3iio h VAL 33 N 0.51 1.48 0.46 3.15 2.07 -1.93 0.05 116.25 122.04 3iio h VAL 33 Ca 0.13 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 3iio h VAL 33 Cb 0.05 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3iio h VAL 33 CO -0.02 0.56 -0.22 -0.33 0.02 0.00 0.00 177.57 177.58 3iio h GLU 34 N -0.30 -0.59 -0.75 1.57 5.08 -1.90 -1.31 114.58 116.38 3iio h GLU 34 Ca -0.05 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3iio h GLU 34 Cb 1.12 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 3iio h GLU 34 CO 0.08 -0.33 0.41 1.25 -1.00 0.00 0.00 179.01 179.42 3iio h LEU 35 N -0.74 0.59 -0.51 1.33 5.85 -1.45 -0.03 115.31 120.35 3iio h LEU 35 Ca -0.06 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3iio h LEU 35 Cb 0.53 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3iio h LEU 35 CO 0.10 0.35 0.31 1.23 -0.34 0.00 0.00 178.44 180.09 3iio h GLY 36 N 0.72 0.74 1.37 3.75 0.00 -0.91 0.17 103.07 108.92 3iio h GLY 36 Ca 0.35 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3iio h GLY 36 CO -0.23 0.30 0.09 1.70 0.00 0.00 0.00 176.54 178.40 3iio h LYS 37 N 0.68 0.78 -0.27 4.80 3.64 -0.73 -1.72 116.57 123.75 3iio h LYS 37 Ca 0.18 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3iio h LYS 37 Cb -0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3iio h LYS 37 CO -0.03 0.73 0.09 0.35 -2.27 0.00 0.00 179.45 178.31 3iio h PHE 38 N 0.75 0.44 -0.85 1.91 3.57 -0.45 -2.92 116.94 119.38 3iio h PHE 38 Ca 0.16 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3iio h PHE 38 Cb 0.33 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3iio h PHE 38 CO 0.02 0.47 0.55 1.88 -2.23 0.00 0.00 178.31 179.00 3iio h TYR 39 N 0.28 1.03 0.00 0.41 0.05 -0.77 -2.25 116.97 115.72 3iio h TYR 39 Ca 0.09 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3iio h TYR 39 Cb 0.24 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3iio h TYR 39 CO 0.00 0.58 0.00 0.66 -1.05 0.00 0.00 178.16 178.36 3iio h SER 40 N 1.06 0.00 0.00 3.88 4.64 -1.24 -2.27 113.55 119.61 3iio h SER 40 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3iio h SER 40 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3iio h SER 40 CO -0.12 0.00 -1.20 -0.62 -0.87 0.00 0.00 176.83 174.02 3iio n GLU 41 N -2.30 1.02 0.00 4.77 1.02 -0.95 -4.38 120.64 119.82 3iio n GLU 41 Ca 0.02 -0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.21 3iio n GLU 41 Cb 0.24 -1.35 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 3iio n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3iio n ILE 42 N -1.68 0.00 0.00 -3.67 -5.35 -0.89 -4.99 119.36 102.77 3iio n ILE 42 Ca 0.01 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3iio n ILE 42 Cb 0.34 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 1.45 1.60 3.75 3.28 0.00 -1.13 -4.04 105.19 110.09 3iio n GLY 43 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 2.98 -0.13 -0.61 -1.09 -0.87 -4.90 121.20 114.58 3iio s ILE 44 Ca 0.00 0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 59.15 3iio s ILE 44 Cb 0.00 -3.57 -0.25 0.00 -1.58 0.00 0.00 42.46 37.06 3iio s ILE 44 CO 0.00 0.17 0.46 0.44 -1.23 0.00 0.00 174.94 174.78 3iio h ASP 45 N 4.40 0.27 -4.99 3.58 3.32 -1.54 -3.41 116.42 118.05 3iio h ASP 45 Ca -0.47 -0.79 -0.17 0.00 0.02 0.00 0.00 57.03 55.62 3iio h ASP 45 Cb 1.22 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 3iio h ASP 45 CO 0.72 1.59 -0.69 -1.61 -1.72 0.00 0.00 179.24 177.53 3iio s GLU 46 N -2.45 0.65 0.10 3.56 2.02 -1.23 -4.25 118.70 117.10 3iio s GLU 46 Ca -0.22 -1.17 0.08 0.00 0.02 0.00 0.00 54.97 53.68 3iio s GLU 46 Cb 0.05 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 3iio s GLU 46 CO 0.72 -0.07 -0.17 -0.51 0.02 0.00 0.00 175.26 175.25 3iio s LEU 47 N -2.74 2.70 -0.03 1.80 1.43 -0.82 -2.45 118.68 118.57 3iio s LEU 47 Ca 0.05 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3iio s LEU 47 Cb 0.04 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3iio s LEU 47 CO -0.07 0.20 -0.08 -0.94 0.23 0.00 0.00 176.35 175.69 3iio s SER 48 N -1.97 1.12 -0.17 2.29 1.04 -0.95 -0.12 113.70 114.93 3iio s SER 48 Ca 0.17 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 3iio s SER 48 Cb -0.11 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.61 3iio s SER 48 CO 0.09 0.03 -0.02 -0.36 0.98 0.00 0.00 173.24 173.96 3iio s PHE 49 N 0.41 3.05 -0.25 5.02 0.08 0.14 -0.47 117.98 125.96 3iio s PHE 49 Ca -0.06 -0.33 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 3iio s PHE 49 Cb -0.10 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3iio s PHE 49 CO 0.01 -0.10 -0.02 -0.46 -0.10 0.00 0.00 175.22 174.54 3iio s TRP 50 N 0.60 3.06 -0.18 0.36 -0.11 -0.86 -0.04 118.94 121.77 3iio s TRP 50 Ca -0.01 -1.27 -0.17 0.00 1.22 0.00 0.00 56.10 55.87 3iio s TRP 50 Cb -0.14 -2.12 -0.04 0.00 -1.50 0.00 0.00 33.47 29.68 3iio s TRP 50 CO 0.02 -0.65 0.44 0.34 -4.62 0.00 0.00 176.95 172.48 3iio s ASP 51 N 1.40 6.53 -0.14 5.86 2.15 -0.37 -0.18 116.67 131.92 3iio s ASP 51 Ca 0.02 0.63 0.18 0.00 0.43 0.00 0.00 52.55 53.81 3iio s ASP 51 Cb -0.16 -2.26 0.30 0.00 -0.30 0.00 0.00 42.92 40.50 3iio s ASP 51 CO -0.03 -0.07 1.16 2.30 -0.17 0.00 0.00 175.17 178.36 3iio n ILE 52 N 4.16 1.92 -1.66 4.11 -5.35 -0.72 -4.51 119.36 117.31 3iio n ILE 52 Ca -0.07 -2.34 -0.48 0.00 -0.27 0.00 0.00 62.75 59.59 3iio n ILE 52 Cb 0.51 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.12 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 -1.41 0.11 -2.24 7.28 -1.04 -1.26 -4.88 114.28 110.84 3iio n THR 53 Ca 0.16 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.73 3iio n THR 53 Cb 0.65 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 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 3.85 5.45 -1.08 2.41 0.00 -1.26 -4.81 120.51 125.07 3iio n ALA 54 Ca 0.18 -4.25 0.12 0.00 0.00 0.00 0.00 53.44 49.50 3iio n ALA 54 Cb 0.26 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.63 3iio n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iio n SER 55 N 4.07 -5.70 -0.41 0.00 7.64 -1.26 -4.88 113.62 113.09 3iio n SER 55 Ca 0.42 0.59 0.12 0.00 1.01 0.00 0.00 58.87 61.01 3iio n SER 55 Cb 0.36 -3.44 0.17 0.00 -1.01 0.00 0.00 64.21 60.29 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 -3.35 0.00 0.17 0.44 0.24 -1.26 -4.39 118.33 110.18 3iio n VAL 56 Ca -0.02 -0.21 0.18 0.00 -2.04 0.00 0.00 64.34 62.26 3iio n VAL 56 Cb 0.62 0.88 0.72 0.00 -1.47 0.00 0.00 33.84 34.60 3iio n VAL 56 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3iio h GLU 57 N 1.99 0.00 -0.45 7.34 4.39 -1.96 -3.24 114.58 122.65 3iio h GLU 57 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3iio h GLU 57 Cb 0.65 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 3iio h GLU 57 CO 0.00 0.00 -0.26 1.17 -1.16 0.00 0.00 179.01 178.76 3iio n LYS 58 N -3.35 -0.20 -0.29 2.33 4.81 -1.26 0.44 118.16 120.64 3iio n LYS 58 Ca 0.05 1.19 0.11 0.00 -0.87 0.00 0.00 58.31 58.79 3iio n LYS 58 Cb 0.60 -1.77 0.35 0.00 0.02 0.00 0.00 35.03 34.23 3iio n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iio h ARG 59 N 0.00 0.73 -0.08 1.64 3.08 -1.97 0.16 114.38 117.94 3iio h ARG 59 Ca 0.07 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3iio h ARG 59 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3iio h ARG 59 CO -0.42 0.48 -0.21 -0.22 -1.07 0.00 0.00 179.97 178.54 3iio h LYS 60 N 0.75 0.28 0.03 0.04 3.64 -1.45 -3.04 116.57 116.83 3iio h LYS 60 Ca 0.47 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3iio h LYS 60 Cb 0.69 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3iio h LYS 60 CO -0.23 0.81 -0.20 1.15 -2.27 0.00 0.00 179.45 178.72 3iio h THR 61 N -0.20 0.54 -0.22 1.00 2.02 0.99 -1.80 112.91 115.24 3iio h THR 61 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3iio h THR 61 Cb 0.82 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3iio h THR 61 CO 0.05 0.00 0.05 0.24 0.37 0.00 0.00 175.52 176.23 3iio h MET 62 N -0.33 0.31 0.00 6.66 2.86 -0.84 0.50 114.93 124.09 3iio h MET 62 Ca 0.05 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3iio h MET 62 Cb 0.39 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3iio h MET 62 CO -0.16 0.30 -0.42 -0.07 1.06 0.00 0.00 176.91 177.61 3iio h LEU 63 N 0.31 0.00 0.00 1.22 3.38 -1.39 -2.98 115.31 115.85 3iio h LEU 63 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3iio h LEU 63 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iio h LEU 63 CO -0.00 0.42 -0.71 -0.33 0.09 0.00 0.00 178.44 177.92 3iio h GLU 64 N 0.00 0.00 -0.14 1.13 5.08 -0.30 -3.11 114.58 117.23 3iio h GLU 64 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3iio h GLU 64 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3iio h GLU 64 CO 0.06 0.59 -0.20 1.25 -1.00 0.00 0.00 179.01 179.71 3iio h LEU 65 N 0.00 0.42 -1.17 1.33 5.85 -0.95 -3.02 115.31 117.76 3iio h LEU 65 Ca -0.02 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.10 3iio h LEU 65 Cb 1.49 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3iio h LEU 65 CO 0.08 0.85 -0.37 -0.37 -0.34 0.00 0.00 178.44 178.29 3iio h VAL 66 N -0.01 1.05 -0.23 1.05 -1.51 -1.61 -1.12 116.25 113.87 3iio h VAL 66 Ca 0.01 -1.37 -0.19 0.00 -1.23 0.00 0.00 66.70 63.92 3iio h VAL 66 Cb 0.76 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 3iio h VAL 66 CO 0.05 0.36 -0.62 -0.33 -1.23 0.00 0.00 177.57 175.80 3iio h GLU 67 N 0.00 0.78 0.00 5.19 5.08 -1.62 -0.84 114.58 123.17 3iio h GLU 67 Ca -0.00 -0.54 -0.16 0.00 -1.00 0.00 0.00 59.36 57.66 3iio h GLU 67 Cb 0.75 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3iio h GLU 67 CO 0.05 1.16 -1.00 -0.22 -1.00 0.00 0.00 179.01 178.00 3iio h LYS 68 N 0.58 0.00 -0.02 2.33 3.64 -1.39 -2.83 116.57 118.88 3iio h LYS 68 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3iio h LYS 68 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3iio h LYS 68 CO 0.13 0.50 -0.22 0.28 -2.27 0.00 0.00 179.45 177.87 3iio h VAL 69 N 0.00 1.51 0.00 2.00 2.07 -1.28 -3.14 116.25 117.42 3iio h VAL 69 Ca -0.08 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3iio h VAL 69 Cb 1.56 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 3iio h VAL 69 CO 0.07 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.16 3iio n ALA 70 N -2.51 1.63 -0.04 1.67 0.00 -0.32 -0.78 120.51 120.15 3iio n ALA 70 Ca -0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3iio n ALA 70 Cb 0.47 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 3iio n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3iio h GLU 71 N 0.00 -0.04 -0.28 0.00 5.08 -1.47 -3.42 114.58 114.45 3iio h GLU 71 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iio h GLU 71 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3iio h GLU 71 CO 0.00 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.64 3iio n GLN 72 N -4.72 2.32 -4.84 2.33 6.02 -0.44 -4.96 117.38 113.09 3iio n GLN 72 Ca -0.07 -1.86 -0.26 0.00 -0.01 0.00 0.00 57.00 54.81 3iio n GLN 72 Cb 0.31 -1.26 -0.16 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.99 1.41 -0.08 5.09 1.09 0.04 -4.79 121.20 122.97 3iio s ILE 73 Ca 0.21 -0.74 0.10 0.00 -1.10 0.00 0.00 60.65 59.13 3iio s ILE 73 Cb 0.12 -1.20 0.16 0.00 -1.06 0.00 0.00 42.46 40.49 3iio s ILE 73 CO 0.16 0.40 1.09 -0.90 -0.10 0.00 0.00 174.94 175.59 3iio n ASP 74 N 2.90 2.21 -4.95 3.58 5.75 -1.26 -4.74 116.55 120.04 3iio n ASP 74 Ca -0.16 -2.59 -0.23 0.00 -0.01 0.00 0.00 54.79 51.79 3iio n ASP 74 Cb 0.53 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 -2.02 5.16 0.60 2.12 -4.36 -1.26 -5.09 121.20 116.35 3iio s ILE 75 Ca 0.18 -0.60 -0.18 0.00 -0.26 0.00 0.00 60.65 59.78 3iio s ILE 75 Cb 0.15 -3.84 -0.03 0.00 1.25 0.00 0.00 42.46 39.99 3iio s ILE 75 CO 0.02 -0.44 1.19 -2.84 0.24 0.00 0.00 174.94 173.11 3iio s PRO 76 N -4.09 2.95 0.01 0.37 0.02 -1.26 -4.92 135.00 128.09 3iio s PRO 76 Ca 0.38 1.78 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 3iio s PRO 76 Cb -0.10 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3iio s PRO 76 CO 0.33 -1.21 0.15 -0.59 -0.33 0.00 0.00 177.00 175.35 3iio s PHE 77 N -1.68 0.06 -0.06 6.54 -0.12 -1.26 -1.94 117.98 119.53 3iio s PHE 77 Ca 0.76 -0.20 0.04 0.00 -0.05 0.00 0.00 56.93 57.48 3iio s PHE 77 Cb -0.29 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.02 3iio s PHE 77 CO 0.33 -0.33 -0.18 0.99 -0.05 0.00 0.00 175.22 175.99 3iio s THR 78 N -1.79 2.75 -0.13 -4.49 2.01 0.83 -2.17 115.64 112.65 3iio s THR 78 Ca -0.12 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 3iio s THR 78 Cb -0.05 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3iio s THR 78 CO -0.00 0.58 0.02 0.68 -0.69 0.00 0.00 174.62 175.20 3iio s VAL 79 N -0.49 4.43 0.26 3.82 -7.23 -0.75 0.24 120.40 120.68 3iio s VAL 79 Ca 0.06 -0.18 -0.07 0.00 -1.81 0.00 0.00 61.98 59.98 3iio s VAL 79 Cb -0.12 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 3iio s VAL 79 CO 0.01 0.55 0.39 -0.83 -0.31 0.00 0.00 175.10 174.91 3iio s GLY 80 N -0.34 1.02 0.00 2.32 0.00 0.94 0.52 107.32 111.79 3iio s GLY 80 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3iio s GLY 80 CO 0.02 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.81 3iio n GLY 81 N -0.40 0.87 3.56 0.20 0.00 -1.26 -1.24 105.19 106.93 3iio n GLY 81 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 0.61 -0.46 3.50 -0.02 0.00 -1.26 -4.69 105.19 102.87 3iio n GLY 82 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.35 4.87 -0.07 -0.61 1.01 -1.26 -4.94 121.20 116.85 3iio s ILE 83 Ca 0.35 -0.05 0.15 0.00 0.00 0.00 0.00 60.65 61.10 3iio s ILE 83 Cb -0.16 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 37.88 3iio s ILE 83 CO 0.74 -0.61 0.35 1.41 0.00 0.00 0.00 174.94 176.82 3iio n HIS 84 N 6.17 0.00 -4.12 3.97 8.25 -1.26 -4.55 115.22 123.68 3iio n HIS 84 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 3iio n HIS 84 Cb 0.47 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.19 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 -3.62 0.21 0.31 0.41 1.47 -1.26 -4.93 116.67 109.26 3iio s ASP 85 Ca -0.05 -1.26 -0.00 0.00 1.18 0.00 0.00 52.55 52.42 3iio s ASP 85 Cb 0.10 0.49 0.48 0.00 -0.34 0.00 0.00 42.92 43.65 3iio s ASP 85 CO 0.62 -1.00 1.92 0.15 0.68 0.00 0.00 175.17 177.54 3iio h PHE 86 N 2.42 0.88 -0.34 2.11 3.57 -1.96 -2.84 116.94 120.79 3iio h PHE 86 Ca -0.31 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.03 3iio h PHE 86 Cb 1.25 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3iio h PHE 86 CO 0.53 0.64 -0.32 0.93 -2.23 0.00 0.00 178.31 177.86 3iio h GLU 87 N 0.90 0.74 0.04 1.11 4.39 -1.98 0.58 114.58 120.35 3iio h GLU 87 Ca 0.22 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3iio h GLU 87 Cb 0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3iio h GLU 87 CO -0.03 0.95 -0.02 1.15 -1.16 0.00 0.00 179.01 179.90 3iio h THR 88 N 0.62 1.12 -0.80 1.13 2.02 -1.97 -2.78 112.91 112.26 3iio h THR 88 Ca 0.07 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3iio h THR 88 Cb 0.84 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 3iio h THR 88 CO 0.07 0.13 0.52 0.00 0.37 0.00 0.00 175.52 176.61 3iio h ALA 89 N 0.68 1.02 -0.27 6.16 0.00 -1.23 -1.84 119.26 123.79 3iio h ALA 89 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iio h ALA 89 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iio h ALA 89 CO 0.01 0.39 0.17 1.03 0.00 0.00 0.00 179.25 180.85 3iio h SER 90 N 1.05 0.29 -0.18 0.00 0.87 0.15 -1.17 113.55 114.56 3iio h SER 90 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3iio h SER 90 Cb -0.08 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3iio h SER 90 CO -0.08 0.21 0.08 -0.33 -0.53 0.00 0.00 176.83 176.19 3iio h GLU 91 N 0.35 0.26 -0.64 2.24 5.08 -1.34 0.13 114.58 120.67 3iio h GLU 91 Ca 0.10 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3iio h GLU 91 Cb -0.03 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 3iio h GLU 91 CO -0.03 0.31 0.25 -0.07 -1.00 0.00 0.00 179.01 178.48 3iio h LEU 92 N 0.15 0.27 0.32 1.33 3.38 -1.18 0.26 115.31 119.84 3iio h LEU 92 Ca 0.06 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3iio h LEU 92 Cb 0.14 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iio h LEU 92 CO -0.01 0.15 -0.15 0.40 0.09 0.00 0.00 178.44 178.92 3iio h ILE 93 N 0.44 0.69 0.00 1.22 2.04 -1.01 -2.87 117.51 118.02 3iio h ILE 93 Ca 0.32 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3iio h ILE 93 Cb 0.39 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3iio h ILE 93 CO -0.31 0.09 -0.00 -0.07 0.00 0.00 0.00 178.15 177.86 3iio h LEU 94 N -0.69 0.00 -0.23 1.44 3.38 -0.51 0.31 115.31 119.01 3iio h LEU 94 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iio h LEU 94 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3iio h LEU 94 CO 0.07 0.00 -0.12 0.54 0.09 0.00 0.00 178.44 179.03 3iio n ARG 95 N -3.29 0.66 0.00 1.13 3.00 0.06 -4.90 116.66 113.33 3iio n ARG 95 Ca -0.03 -0.23 0.00 0.00 -0.01 0.00 0.00 57.85 57.58 3iio n ARG 95 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.05 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 1.29 0.29 3.86 -0.13 0.00 0.08 -3.96 105.19 106.62 3iio n GLY 96 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.12 3.39 -0.17 4.61 0.00 -1.09 -4.68 121.76 122.70 3iio s ALA 97 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 3iio s ALA 97 Cb 0.00 -2.67 -0.22 0.00 0.00 0.00 0.00 23.12 20.23 3iio s ALA 97 CO 0.00 0.36 0.27 -0.25 0.00 0.00 0.00 175.76 176.14 3iio n ASP 98 N -0.36 1.98 -4.14 0.00 8.00 -0.92 -4.54 116.55 116.57 3iio n ASP 98 Ca 0.03 0.33 -0.17 0.00 0.71 0.00 0.00 54.79 55.68 3iio n ASP 98 Cb 0.53 -0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 40.59 3iio n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iio s LYS 99 N -2.45 0.75 -0.03 -1.24 1.02 -0.95 -4.46 119.74 112.38 3iio s LYS 99 Ca -0.26 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 54.86 3iio s LYS 99 Cb 0.06 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 3iio s LYS 99 CO 0.67 0.16 0.01 0.14 -0.92 0.00 0.00 175.35 175.40 3iio s VAL 100 N -1.23 4.25 -0.35 3.17 -7.23 0.01 -1.81 120.40 117.22 3iio s VAL 100 Ca -0.03 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.53 3iio s VAL 100 Cb -0.10 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 3iio s VAL 100 CO 0.02 0.44 0.22 -0.70 -0.31 0.00 0.00 175.10 174.77 3iio s GLU 101 N -1.38 3.27 0.21 4.82 2.12 0.19 -1.29 118.70 126.64 3iio s GLU 101 Ca 0.18 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.80 3iio s GLU 101 Cb -0.11 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 3iio s GLU 101 CO 0.08 -0.52 0.02 0.96 -0.54 0.00 0.00 175.26 175.26 3iio s ILE 102 N 1.67 3.74 0.00 -3.70 -4.36 -0.37 -4.10 121.20 114.07 3iio s ILE 102 Ca 0.05 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 3iio s ILE 102 Cb -0.18 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.60 3iio s ILE 102 CO 0.09 -0.22 0.00 -3.20 0.24 0.00 0.00 174.94 171.85 3iio n ASN 103 N -0.49 0.00 -0.18 4.36 5.15 -1.26 -1.50 115.26 121.34 3iio n ASN 103 Ca -0.08 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.93 3iio n ASN 103 Cb 0.57 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 40.13 3iio n ASN 103 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3iio h THR 104 N 0.00 1.10 0.00 -0.44 2.02 -1.92 0.19 112.91 113.86 3iio h THR 104 Ca 0.00 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3iio h THR 104 Cb 0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3iio h THR 104 CO 0.00 0.16 -0.29 0.00 0.37 0.00 0.00 175.52 175.76 3iio h ALA 105 N 1.59 1.04 0.01 6.16 0.00 -1.92 -2.94 119.26 123.20 3iio h ALA 105 Ca 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iio h ALA 105 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iio h ALA 105 CO -0.08 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 3iio h ALA 106 N 1.71 -0.01 0.00 0.00 0.00 -1.14 -0.14 119.26 119.67 3iio h ALA 106 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3iio h ALA 106 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iio h ALA 106 CO 0.04 -0.14 -0.15 0.28 0.00 0.00 0.00 179.25 179.28 3iio h VAL 107 N -0.76 0.88 0.02 0.00 2.07 -1.29 -0.27 116.25 116.91 3iio h VAL 107 Ca -0.00 -0.58 -0.36 0.00 0.82 0.00 0.00 66.70 66.59 3iio h VAL 107 Cb 0.72 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3iio h VAL 107 CO 0.00 0.15 -2.00 -0.62 0.02 0.00 0.00 177.57 175.13 3iio n GLU 108 N -4.02 0.62 -3.79 1.57 1.02 -1.11 -4.66 120.64 110.27 3iio n GLU 108 Ca -0.02 0.35 -0.33 0.00 -0.02 0.00 0.00 57.16 57.14 3iio n GLU 108 Cb 0.24 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 3iio n GLU 108 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iio s ASN 109 N -7.04 5.16 0.17 1.62 2.47 -0.07 -4.92 114.94 112.33 3iio s ASN 109 Ca -0.32 -3.44 0.25 0.00 0.42 0.00 0.00 52.86 49.77 3iio s ASN 109 Cb 0.09 -1.77 0.91 0.00 -1.45 0.00 0.00 41.25 39.04 3iio s ASN 109 CO 0.59 -0.20 1.76 -2.65 -3.72 0.00 0.00 177.10 172.88 3iio n PRO 110 N 2.62 0.18 0.25 0.43 -0.02 -0.12 -2.28 135.00 136.06 3iio n PRO 110 Ca 0.15 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3iio n PRO 110 Cb 0.36 -1.74 0.64 0.00 -0.02 0.00 0.00 33.50 32.73 3iio n PRO 110 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iio h SER 111 N 0.00 0.00 -0.93 2.55 0.87 -1.91 -2.82 113.55 111.31 3iio h SER 111 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3iio h SER 111 Cb 0.56 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 3iio h SER 111 CO 0.00 0.16 0.61 0.25 -0.53 0.00 0.00 176.83 177.32 3iio h LEU 112 N 0.00 0.97 -0.06 2.23 5.85 -1.77 0.28 115.31 122.81 3iio h LEU 112 Ca -0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3iio h LEU 112 Cb 0.46 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3iio h LEU 112 CO 0.02 0.64 -0.01 0.40 -0.34 0.00 0.00 178.44 179.16 3iio h ILE 113 N 1.11 0.95 -0.44 4.05 2.04 -1.68 -2.37 117.51 121.18 3iio h ILE 113 Ca 0.39 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.20 3iio h ILE 113 Cb 0.11 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3iio h ILE 113 CO -0.13 0.00 0.12 0.74 0.00 0.00 0.00 178.15 178.88 3iio h THR 114 N 0.01 1.23 0.13 -0.27 2.02 -1.21 -1.86 112.91 112.95 3iio h THR 114 Ca 0.03 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3iio h THR 114 Cb 0.04 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3iio h THR 114 CO -0.05 0.28 -0.10 1.56 0.37 0.00 0.00 175.52 177.58 3iio h GLN 115 N 0.58 -0.22 0.13 6.66 4.20 -0.42 -0.79 115.11 125.24 3iio h GLN 115 Ca 0.14 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3iio h GLN 115 Cb 0.30 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3iio h GLN 115 CO -0.00 -0.15 -0.14 0.82 -0.67 0.00 0.00 178.83 178.69 3iio h ILE 116 N -0.23 0.68 -0.98 2.54 2.04 -1.47 -3.06 117.51 117.03 3iio h ILE 116 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3iio h ILE 116 Cb 0.21 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 3iio h ILE 116 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.75 3iio h ALA 117 N 0.54 1.45 0.00 1.87 0.00 -1.25 -0.28 119.26 121.59 3iio h ALA 117 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iio h ALA 117 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iio h ALA 117 CO -0.05 0.24 0.00 1.96 0.00 0.00 0.00 179.25 181.41 3iio h GLN 118 N 1.00 0.00 0.00 0.00 4.20 -1.04 0.11 115.11 119.38 3iio h GLN 118 Ca 0.47 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.84 3iio h GLN 118 Cb 0.42 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3iio h GLN 118 CO -0.25 0.00 -2.27 2.41 -0.67 0.00 0.00 178.83 178.05 3iio n THR 119 N -2.82 1.26 0.07 -0.54 -1.04 -0.75 -4.73 114.28 105.74 3iio n THR 119 Ca -0.00 -0.44 0.05 0.00 -2.04 0.00 0.00 64.05 61.63 3iio n THR 119 Cb 0.21 -1.43 0.11 0.00 -1.82 0.00 0.00 70.33 67.40 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 -3.40 0.27 0.00 -1.42 3.72 -0.19 -5.08 117.46 111.36 3iio n PHE 120 Ca -0.41 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 3iio n PHE 120 Cb 0.89 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.53 -1.93 0.06 1.37 0.00 0.37 -4.47 105.19 101.13 3iio n GLY 121 Ca 0.09 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.80 3iio n GLY 121 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iio n SER 122 N -1.46 0.41 0.19 1.61 3.41 -1.24 -2.63 113.62 113.92 3iio n SER 122 Ca 0.00 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3iio n SER 122 Cb 0.00 -0.66 0.60 0.00 -0.26 0.00 0.00 64.21 63.89 3iio n SER 122 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3iio h GLN 123 N 0.00 0.00 -0.02 4.33 7.50 -1.87 0.23 115.11 125.29 3iio h GLN 123 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3iio h GLN 123 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.07 3iio h GLN 123 CO 0.00 0.00 -0.30 0.00 -1.50 0.00 0.00 178.83 177.03 3iio n ALA 124 N -1.75 3.16 -2.87 3.87 0.00 -1.08 -4.75 120.51 117.08 3iio n ALA 124 Ca -0.01 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 3iio n ALA 124 Cb 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 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 4.49 -0.20 0.00 1.01 -0.93 -0.81 120.40 121.77 3iio s VAL 125 Ca 0.20 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3iio s VAL 125 Cb 0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3iio s VAL 125 CO 0.45 -0.21 0.08 -0.69 0.00 0.00 0.00 175.10 174.74 3iio s VAL 126 N 1.54 4.83 -0.23 2.92 1.01 -0.41 -1.51 120.40 128.55 3iio s VAL 126 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 3iio s VAL 126 Cb -0.19 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3iio s VAL 126 CO 0.06 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.97 3iio s VAL 127 N 0.63 4.53 -0.15 2.92 1.01 -0.96 -1.24 120.40 127.13 3iio s VAL 127 Ca 0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 3iio s VAL 127 Cb -0.13 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3iio s VAL 127 CO 0.01 0.37 0.74 -0.47 0.00 0.00 0.00 175.10 175.76 3iio s TYR 128 N 1.22 3.45 -0.23 5.22 5.04 -0.56 -1.52 117.35 129.97 3iio s TYR 128 Ca 0.05 1.17 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 3iio s TYR 128 Cb -0.14 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.28 3iio s TYR 128 CO 0.04 -0.14 -0.09 0.42 -1.34 0.00 0.00 175.55 174.44 3iio s ILE 129 N 1.74 2.77 -0.01 3.14 1.01 0.47 -4.62 121.20 125.71 3iio s ILE 129 Ca 0.36 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 3iio s ILE 129 Cb -0.17 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 3iio s ILE 129 CO 0.13 0.29 0.46 0.00 0.00 0.00 0.00 174.94 175.82 3iio s ALA 130 N 1.33 3.63 0.00 9.38 0.00 -1.26 -1.46 121.76 133.39 3iio s ALA 130 Ca 0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3iio s ALA 130 Cb -0.16 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3iio s ALA 130 CO -0.06 0.37 0.25 0.00 0.00 0.00 0.00 175.76 176.32 3iio s ALA 131 N -0.75 -0.59 -0.01 0.00 0.00 -0.90 -1.84 121.76 117.66 3iio s ALA 131 Ca 0.25 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 3iio s ALA 131 Cb -0.17 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3iio s ALA 131 CO 0.14 -0.27 0.08 0.21 0.00 0.00 0.00 175.76 175.91 3iio s LYS 132 N -1.61 0.30 -0.07 0.00 2.20 -1.05 -1.04 119.74 118.47 3iio s LYS 132 Ca -0.12 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 3iio s LYS 132 Cb -0.05 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 3iio s LYS 132 CO 0.02 -0.06 1.28 1.03 -0.36 0.00 0.00 175.35 177.25 3iio s ARG 133 N -0.88 4.30 -0.20 4.03 0.52 -1.26 -1.33 118.95 124.13 3iio s ARG 133 Ca -0.10 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 3iio s ARG 133 Cb -0.06 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 31.84 3iio s ARG 133 CO 0.00 -0.55 -0.06 0.08 0.02 0.00 0.00 175.30 174.79 3iio s VAL 134 N 2.63 1.35 0.00 3.52 1.01 0.71 -4.83 120.40 124.79 3iio s VAL 134 Ca 0.58 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3iio s VAL 134 Cb -0.26 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3iio s VAL 134 CO 0.21 0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.81 3iio n ASP 135 N 4.76 -3.61 0.00 3.32 8.00 -1.26 -1.69 116.55 126.08 3iio n ASP 135 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3iio n ASP 135 Cb 0.46 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 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 -0.30 1.44 3.03 0.44 0.00 -1.26 -5.13 105.19 103.41 3iio n GLY 136 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 0.69 -0.22 1.61 0.41 -0.68 -5.12 118.70 115.37 3iio s GLU 137 Ca 0.00 -0.37 -0.29 0.00 -0.41 0.00 0.00 54.97 53.89 3iio s GLU 137 Cb 0.00 -0.66 -0.02 0.00 -1.78 0.00 0.00 34.13 31.68 3iio s GLU 137 CO 0.00 0.18 1.45 -0.06 -0.49 0.00 0.00 175.26 176.34 3iio s PHE 138 N -0.34 2.42 0.11 1.61 0.08 -1.26 -0.21 117.98 120.39 3iio s PHE 138 Ca 0.02 0.70 0.06 0.00 0.12 0.00 0.00 56.93 57.84 3iio s PHE 138 Cb -0.04 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.50 3iio s PHE 138 CO -0.00 -2.39 -0.04 -1.64 -0.10 0.00 0.00 175.22 171.06 3iio s MET 139 N 4.24 2.37 0.23 0.44 -1.94 -0.44 -1.15 119.30 123.04 3iio s MET 139 Ca 0.63 -0.95 -0.24 0.00 -1.71 0.00 0.00 55.69 53.43 3iio s MET 139 Cb -0.22 -2.42 -0.09 0.00 2.01 0.00 0.00 34.83 34.11 3iio s MET 139 CO 0.25 0.51 0.80 0.08 -0.01 0.00 0.00 175.02 176.65 3iio s VAL 140 N -1.35 4.39 0.05 -6.03 1.01 0.02 -2.53 120.40 115.96 3iio s VAL 140 Ca 0.24 1.59 0.07 0.00 0.00 0.00 0.00 61.98 63.89 3iio s VAL 140 Cb -0.11 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3iio s VAL 140 CO 0.17 0.31 -0.20 -0.36 0.00 0.00 0.00 175.10 175.02 3iio s PHE 141 N -1.40 1.71 0.22 5.22 0.40 -0.77 -1.38 117.98 121.97 3iio s PHE 141 Ca 0.42 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3iio s PHE 141 Cb -0.20 -1.01 -0.00 0.00 0.51 0.00 0.00 43.02 42.32 3iio s PHE 141 CO 0.24 0.09 0.04 0.25 0.70 0.00 0.00 175.22 176.54 3iio n THR 142 N 1.78 0.00 -3.60 0.64 -2.24 -0.43 -4.26 114.28 106.17 3iio n THR 142 Ca -0.18 -1.16 -0.28 0.00 -2.27 0.00 0.00 64.05 60.17 3iio n THR 142 Cb 0.54 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.52 -2.41 -1.65 4.78 4.01 -1.26 -1.55 117.16 118.56 3iio n TYR 143 Ca -0.06 0.99 -0.16 0.00 -0.16 0.00 0.00 57.90 58.51 3iio n TYR 143 Cb 0.30 -2.53 -0.06 0.00 -0.31 0.00 0.00 39.34 36.75 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 -1.55 -4.40 -1.70 7.72 7.64 -1.26 -3.36 113.62 116.70 3iio n SER 144 Ca -0.20 0.35 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 3iio n SER 144 Cb 0.67 -3.94 0.03 0.00 -1.01 0.00 0.00 64.21 59.96 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 -0.41 0.21 0.19 0.23 0.00 -0.60 -4.93 105.19 99.88 3iio n GLY 145 Ca -0.17 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.38 2.40 -3.96 1.61 1.02 -1.11 -4.88 120.64 113.34 3iio n GLU 146 Ca -0.02 -0.47 -0.31 0.00 -0.02 0.00 0.00 57.16 56.34 3iio n GLU 146 Cb 0.54 -1.09 -0.15 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.63 1.36 -0.54 3.49 2.20 -1.15 -5.00 119.74 118.46 3iio s LYS 147 Ca 0.08 -1.65 -0.27 0.00 -0.36 0.00 0.00 55.97 53.77 3iio s LYS 147 Cb 0.09 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 3iio s LYS 147 CO 0.33 -0.92 1.98 1.21 -0.36 0.00 0.00 175.35 177.59 3iio s ASN 148 N 1.08 5.16 0.55 1.43 2.47 -1.26 -1.31 114.94 123.06 3iio s ASN 148 Ca 0.09 0.65 0.22 0.00 0.42 0.00 0.00 52.86 54.23 3iio s ASN 148 Cb -0.19 -2.52 1.46 0.00 -1.45 0.00 0.00 41.25 38.55 3iio s ASN 148 CO -0.11 -2.40 2.15 0.71 -3.72 0.00 0.00 177.10 173.73 3iio h THR 149 N 7.06 0.80 0.00 -5.21 1.35 -1.59 -3.46 112.91 111.86 3iio h THR 149 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3iio h THR 149 Cb 1.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3iio h THR 149 CO 1.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 3iio n GLY 150 N -1.49 1.13 3.70 5.82 0.00 -1.26 -5.03 105.19 108.07 3iio n GLY 150 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.03 4.93 0.50 -0.61 1.01 -1.26 -4.96 121.20 117.78 3iio s ILE 151 Ca 0.00 1.75 -0.21 0.00 0.00 0.00 0.00 60.65 62.19 3iio s ILE 151 Cb 0.00 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 3iio s ILE 151 CO 0.00 0.15 1.16 -0.76 0.00 0.00 0.00 174.94 175.49 3iio s LEU 152 N 1.27 3.89 0.20 2.97 1.43 -1.26 -0.80 118.68 126.38 3iio s LEU 152 Ca 0.44 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 3iio s LEU 152 Cb -0.19 -4.40 0.11 0.00 0.03 0.00 0.00 46.19 41.75 3iio s LEU 152 CO 0.20 -1.09 1.71 0.25 0.23 0.00 0.00 176.35 177.66 3iio h LEU 153 N 1.64 1.09 -1.89 1.79 5.85 -1.44 -2.60 115.31 119.73 3iio h LEU 153 Ca -0.50 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 57.96 3iio h LEU 153 Cb 1.26 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3iio h LEU 153 CO 0.59 1.05 -0.13 0.08 -0.34 0.00 0.00 178.44 179.68 3iio h ARG 154 N 1.08 0.00 0.20 1.25 0.11 -1.93 -2.25 114.38 112.84 3iio h ARG 154 Ca 0.22 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.96 3iio h ARG 154 Cb 0.39 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.49 3iio h ARG 154 CO 0.00 0.13 -1.61 -0.44 0.10 0.00 0.00 179.97 178.15 3iio h ASP 155 N 0.00 0.68 -0.12 0.08 3.45 -1.90 -3.33 116.42 115.27 3iio h ASP 155 Ca -0.00 -0.87 -0.13 0.00 0.43 0.00 0.00 57.03 56.46 3iio h ASP 155 Cb 0.31 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3iio h ASP 155 CO 0.02 1.71 -0.43 -0.25 -1.57 0.00 0.00 179.24 178.72 3iio h TRP 156 N 0.12 0.67 -0.34 4.55 -0.00 -1.33 -2.32 115.95 117.31 3iio h TRP 156 Ca -0.29 -0.28 0.07 0.00 -0.00 0.00 0.00 58.89 58.39 3iio h TRP 156 Cb 2.12 -0.11 -0.08 0.00 -0.00 0.00 0.00 29.16 31.09 3iio h TRP 156 CO 0.11 1.04 -0.19 0.28 -0.00 0.00 0.00 178.44 179.68 3iio h VAL 157 N 0.11 0.46 -0.34 2.65 2.07 -1.60 0.36 116.25 119.97 3iio h VAL 157 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3iio h VAL 157 Cb 1.06 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3iio h VAL 157 CO 0.09 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.43 3iio h VAL 158 N -0.14 1.16 -0.59 2.57 2.07 -1.66 -2.45 116.25 117.20 3iio h VAL 158 Ca 0.17 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3iio h VAL 158 Cb 0.40 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3iio h VAL 158 CO -0.43 0.16 0.38 -0.08 0.02 0.00 0.00 177.57 177.63 3iio h GLU 159 N 0.41 0.75 -0.56 1.57 4.57 -1.07 -2.21 114.58 118.04 3iio h GLU 159 Ca 0.12 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3iio h GLU 159 Cb 0.11 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3iio h GLU 159 CO -0.02 0.50 0.36 0.28 -1.18 0.00 0.00 179.01 178.96 3iio h VAL 160 N 0.77 1.12 -0.76 0.32 2.07 -0.06 -0.91 116.25 118.80 3iio h VAL 160 Ca 0.22 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3iio h VAL 160 Cb -0.05 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3iio h VAL 160 CO -0.06 0.13 0.50 -0.08 0.02 0.00 0.00 177.57 178.08 3iio h GLU 161 N 0.73 0.98 -0.25 1.57 4.81 -1.34 -2.73 114.58 118.36 3iio h GLU 161 Ca 0.21 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3iio h GLU 161 Cb -0.05 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3iio h GLU 161 CO -0.06 0.65 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.39 3iio h LYS 162 N 1.01 0.48 0.00 1.92 3.64 -0.73 -2.88 116.57 120.01 3iio h LYS 162 Ca 0.28 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3iio h LYS 162 Cb -0.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3iio h LYS 162 CO -0.07 0.70 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3iio h ARG 163 N 0.42 0.00 0.00 1.90 2.47 -0.89 -3.47 114.38 114.81 3iio h ARG 163 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3iio h ARG 163 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 3iio h ARG 163 CO 0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.99 3iio n GLY 164 N 0.30 1.86 3.75 0.04 0.00 -1.09 -2.77 105.19 107.29 3iio n GLY 164 Ca 0.02 0.00 -0.37 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 s ALA 165 N -2.00 2.73 -0.02 4.61 0.00 -1.11 -4.38 121.76 121.59 3iio s ALA 165 Ca 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 3iio s ALA 165 Cb 0.00 -3.50 -0.27 0.00 0.00 0.00 0.00 23.12 19.35 3iio s ALA 165 CO 0.00 -1.20 0.75 0.78 0.00 0.00 0.00 175.76 176.09 3iio h GLY 166 N 1.34 0.26 -1.84 0.00 0.00 0.56 -3.46 103.07 99.91 3iio h GLY 166 Ca -0.50 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 46.24 3iio h GLY 166 CO 0.57 0.57 0.28 -1.83 0.00 0.00 0.00 176.54 176.13 3iio s GLU 167 N -2.60 1.79 -0.07 4.80 -1.05 -1.12 -4.30 118.70 116.14 3iio s GLU 167 Ca -0.11 -1.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 3iio s GLU 167 Cb 0.07 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.35 3iio s GLU 167 CO 0.84 -0.83 -0.11 0.42 0.95 0.00 0.00 175.26 176.52 3iio s ILE 168 N -3.44 1.10 -0.21 1.83 1.01 -0.46 -2.26 121.20 118.76 3iio s ILE 168 Ca 0.12 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 3iio s ILE 168 Cb -0.05 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3iio s ILE 168 CO 0.07 0.35 0.46 -0.69 0.00 0.00 0.00 174.94 175.13 3iio s VAL 169 N 0.77 5.15 -0.58 2.92 1.01 -0.57 0.12 120.40 129.21 3iio s VAL 169 Ca -0.13 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 3iio s VAL 169 Cb -0.15 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.59 3iio s VAL 169 CO 0.02 0.20 0.42 -0.22 0.00 0.00 0.00 175.10 175.52 3iio s LEU 170 N 1.55 5.48 -0.06 3.92 2.96 0.11 -0.39 118.68 132.25 3iio s LEU 170 Ca 0.21 -2.53 -0.22 0.00 -0.22 0.00 0.00 54.13 51.37 3iio s LEU 170 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3iio s LEU 170 CO 0.09 -0.48 0.62 -0.83 -1.32 0.00 0.00 176.35 174.44 3iio s GLY 171 N 1.38 2.57 -0.14 7.98 0.00 -0.53 -2.09 107.32 116.48 3iio s GLY 171 Ca 0.14 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 3iio s GLY 171 CO -0.04 0.98 0.42 -0.45 0.00 0.00 0.00 173.10 174.01 3iio s SER 172 N 0.52 6.59 0.13 1.64 0.15 -0.85 -2.12 113.70 119.77 3iio s SER 172 Ca 0.33 0.70 0.01 0.00 0.70 0.00 0.00 55.95 57.69 3iio s SER 172 Cb -0.17 -2.25 -0.11 0.00 -1.71 0.00 0.00 66.02 61.78 3iio s SER 172 CO 0.16 0.02 1.30 0.40 1.20 0.00 0.00 173.24 176.32 3iio h ILE 173 N 4.74 1.53 0.00 6.45 2.04 -1.44 -3.01 117.51 127.83 3iio h ILE 173 Ca -0.40 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.60 3iio h ILE 173 Cb 1.17 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 3iio h ILE 173 CO 0.75 0.83 0.00 0.47 0.00 0.00 0.00 178.15 180.20 3iio n ASP 174 N -3.58 0.00 0.00 1.72 8.00 -1.26 -2.63 116.55 118.80 3iio n ASP 174 Ca -0.04 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.97 3iio n ASP 174 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 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 -0.55 -0.10 -2.26 -1.24 5.12 -1.14 -4.96 116.66 111.53 3iio n ARG 175 Ca 0.02 -0.54 -0.42 0.00 -1.93 0.00 0.00 57.85 54.98 3iio n ARG 175 Cb 0.01 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.42 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 -0.15 4.39 0.00 0.55 2.96 -1.08 -2.59 118.68 122.76 3iio s LEU 176 Ca 0.00 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 3iio s LEU 176 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3iio s LEU 176 CO 0.00 -0.55 0.00 0.61 -1.32 0.00 0.00 176.35 175.09 3iio n GLY 177 N 3.03 1.46 3.65 7.98 0.00 -1.26 -5.00 105.19 115.05 3iio n GLY 177 Ca 0.09 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 2.17 0.00 2.61 -4.23 -1.10 -5.02 115.64 109.94 3iio s THR 178 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3iio s THR 178 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3iio s THR 178 CO 0.00 -0.07 0.85 0.29 -0.54 0.00 0.00 174.62 175.15 3iio n LYS 179 N -4.26 0.00 -0.32 3.99 4.76 -1.26 -4.09 118.16 116.98 3iio n LYS 179 Ca 0.05 -0.76 0.06 0.00 -2.87 0.00 0.00 58.31 54.80 3iio n LYS 179 Cb 0.56 -0.40 0.21 0.00 -1.84 0.00 0.00 35.03 33.57 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 0.00 2.83 0.00 4.39 3.41 -1.22 -3.94 113.62 119.09 3iio n SER 180 Ca 0.00 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 3iio n SER 180 Cb 0.64 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.00 3.24 3.80 5.00 0.00 -0.41 -5.02 105.19 112.80 3iio n GLY 181 Ca 0.16 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.49 3.03 -0.96 1.61 2.02 -1.26 -4.08 117.35 115.23 3iio s TYR 182 Ca 0.00 1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 58.02 3iio s TYR 182 Cb 0.00 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.52 3iio s TYR 182 CO 0.00 -0.84 1.78 0.34 -1.57 0.00 0.00 175.55 175.27 3iio s ASP 183 N -2.23 5.60 0.03 2.29 -1.08 -1.26 -4.79 116.67 115.25 3iio s ASP 183 Ca 0.66 -1.00 -0.06 0.00 -0.52 0.00 0.00 52.55 51.63 3iio s ASP 183 Cb -0.16 -2.56 -0.30 0.00 -1.46 0.00 0.00 42.92 38.44 3iio s ASP 183 CO 0.24 -2.33 0.99 0.71 0.52 0.00 0.00 175.17 175.29 3iio h THR 184 N 7.04 1.31 -0.91 1.71 1.35 -1.94 -2.51 112.91 118.95 3iio h THR 184 Ca 0.14 -2.87 0.18 0.00 -0.55 0.00 0.00 66.41 63.31 3iio h THR 184 Cb 1.00 2.89 -0.07 0.00 -1.73 0.00 0.00 68.15 70.23 3iio h THR 184 CO 1.29 0.85 0.59 -0.08 -0.25 0.00 0.00 175.52 177.92 3iio h GLU 185 N 0.09 0.55 -0.03 4.72 4.81 -1.98 0.23 114.58 122.96 3iio h GLU 185 Ca -0.21 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 3iio h GLU 185 Cb 2.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 3iio h GLU 185 CO 0.20 0.36 -0.81 1.98 -0.73 0.00 0.00 179.01 180.01 3iio h MET 186 N 0.56 0.31 -0.32 1.92 4.05 -1.93 -2.54 114.93 116.99 3iio h MET 186 Ca 0.48 -0.29 -0.09 0.00 -0.28 0.00 0.00 59.70 59.52 3iio h MET 186 Cb 0.97 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3iio h MET 186 CO -0.22 0.97 -0.14 0.82 0.23 0.00 0.00 176.91 178.57 3iio h ILE 187 N 0.20 1.29 0.00 1.77 2.04 -0.90 -2.96 117.51 118.94 3iio h ILE 187 Ca -0.04 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3iio h ILE 187 Cb 1.41 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3iio h ILE 187 CO 0.13 0.40 -0.16 0.03 0.00 0.00 0.00 178.15 178.55 3iio h ARG 188 N 0.43 0.00 -0.09 2.37 3.08 -0.61 0.25 114.38 119.81 3iio h ARG 188 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3iio h ARG 188 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3iio h ARG 188 CO 0.04 0.16 -0.31 0.35 -1.07 0.00 0.00 179.97 179.14 3iio h PHE 189 N 0.00 0.48 -0.02 3.04 3.57 -1.44 -3.34 116.94 119.23 3iio h PHE 189 Ca -0.00 -0.20 -0.23 0.00 3.53 0.00 0.00 57.97 61.07 3iio h PHE 189 Cb 0.57 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.24 3iio h PHE 189 CO 0.00 0.93 -0.91 0.28 -2.23 0.00 0.00 178.31 176.37 3iio h VAL 190 N -0.10 1.37 -0.62 1.41 2.07 -1.31 -3.39 116.25 115.67 3iio h VAL 190 Ca -0.01 -2.33 0.12 0.00 0.82 0.00 0.00 66.70 65.29 3iio h VAL 190 Cb 0.95 2.33 -0.12 0.00 -1.52 0.00 0.00 31.29 32.93 3iio h VAL 190 CO 0.07 0.70 -0.24 -0.09 0.02 0.00 0.00 177.57 178.03 3iio h ARG 191 N 0.29 -0.07 0.00 1.57 9.65 -0.63 0.17 114.38 125.35 3iio h ARG 191 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3iio h ARG 191 Cb 1.54 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.14 3iio h ARG 191 CO 0.16 -0.05 0.00 -0.35 2.80 0.00 0.00 179.97 182.54 3iio n PRO 192 N -5.44 1.00 0.09 0.20 -0.04 -1.26 -3.17 135.00 126.37 3iio n PRO 192 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 3iio n PRO 192 Cb 0.35 -1.40 0.08 0.00 -0.04 0.00 0.00 33.50 32.49 3iio n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iio h LEU 193 N 0.00 0.00 -7.61 1.53 3.38 -0.88 -3.47 115.31 108.26 3iio h LEU 193 Ca 0.00 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 3iio h LEU 193 Cb 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 3iio h LEU 193 CO 0.00 0.05 -0.51 0.28 0.09 0.00 0.00 178.44 178.35 3iio s THR 194 N -3.26 0.02 -1.31 0.22 -1.32 -1.19 -4.63 115.64 104.17 3iio s THR 194 Ca 0.03 -0.19 0.27 0.00 -1.21 0.00 0.00 61.69 60.59 3iio s THR 194 Cb 0.11 -0.29 0.24 0.00 -1.51 0.00 0.00 72.50 71.04 3iio s THR 194 CO 0.75 -0.10 1.69 0.35 -2.21 0.00 0.00 174.62 175.10 3iio n THR 195 N 2.56 0.00 -2.33 5.08 -2.24 -1.26 -4.90 114.28 111.19 3iio n THR 195 Ca -0.15 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 3iio n THR 195 Cb 0.58 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.76 3.83 0.27 3.22 1.43 -1.26 -4.98 118.68 118.43 3iio s LEU 196 Ca 0.19 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 3iio s LEU 196 Cb 0.19 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.80 3iio s LEU 196 CO 0.57 -1.05 1.53 -2.84 0.23 0.00 0.00 176.35 174.79 3iio s PRO 197 N -3.13 4.19 -0.23 1.29 0.02 -1.26 -4.87 135.00 131.00 3iio s PRO 197 Ca 0.69 2.45 -0.08 0.00 0.02 0.00 0.00 61.00 64.08 3iio s PRO 197 Cb -0.23 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3iio s PRO 197 CO 0.27 -0.54 0.10 0.42 -0.33 0.00 0.00 177.00 176.92 3iio s ILE 198 N 0.05 4.72 0.00 2.83 1.01 -1.26 -1.35 121.20 127.20 3iio s ILE 198 Ca 0.62 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 3iio s ILE 198 Cb -0.45 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 3iio s ILE 198 CO 0.45 0.36 0.45 -0.63 0.00 0.00 0.00 174.94 175.57 3iio s ILE 199 N 1.24 4.98 -0.10 2.92 -1.09 0.33 -1.10 121.20 128.38 3iio s ILE 199 Ca 0.05 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.26 3iio s ILE 199 Cb -0.14 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 3iio s ILE 199 CO 0.04 0.54 0.37 0.00 -1.23 0.00 0.00 174.94 174.67 3iio s ALA 200 N -0.88 3.60 -0.03 9.38 0.00 -0.18 0.07 121.76 133.73 3iio s ALA 200 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3iio s ALA 200 Cb -0.17 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.53 3iio s ALA 200 CO 0.14 0.20 -0.00 -1.58 0.00 0.00 0.00 175.76 174.52 3iio s HIS 201 N -0.00 0.30 0.00 0.00 2.46 -0.89 -2.10 115.29 115.06 3iio s HIS 201 Ca 0.21 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.74 3iio s HIS 201 Cb -0.15 -0.37 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 3iio s HIS 201 CO 0.08 -0.11 0.00 0.54 -2.47 0.00 0.00 174.74 172.78 3iio n ARG 202 N 4.01 0.00 0.00 2.88 1.74 -1.26 -2.00 116.66 122.03 3iio n ARG 202 Ca -0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3iio n ARG 202 Cb 0.51 0.00 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 -0.07 2.00 3.62 -0.13 0.00 -1.07 -4.10 105.19 105.45 3iio n GLY 203 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.32 0.28 0.00 4.61 0.00 -1.26 -1.29 120.51 122.52 3iio n ALA 204 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3iio n ALA 204 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 4.95 0.00 3.43 0.00 0.00 -1.25 -4.75 105.19 107.56 3iio n GLY 205 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.93 1.55 0.34 1.61 -2.85 -1.26 -4.91 119.74 112.30 3iio s LYS 206 Ca 0.00 -1.79 0.14 0.00 -1.00 0.00 0.00 55.97 53.31 3iio s LYS 206 Cb 0.00 -1.12 1.03 0.00 -2.06 0.00 0.00 37.83 35.69 3iio s LYS 206 CO 0.00 0.01 1.69 0.52 0.10 0.00 0.00 175.35 177.68 3iio h MET 207 N 2.27 0.40 0.00 1.78 2.86 -1.98 -1.62 114.93 118.64 3iio h MET 207 Ca -0.40 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.16 3iio h MET 207 Cb 1.23 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3iio h MET 207 CO 0.67 0.26 -0.25 0.93 1.06 0.00 0.00 176.91 179.59 3iio h GLU 208 N 0.41 0.00 -0.23 1.72 3.07 -1.98 -2.40 114.58 115.17 3iio h GLU 208 Ca 0.70 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.55 3iio h GLU 208 Cb 1.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.44 3iio h GLU 208 CO -0.53 0.25 0.09 0.45 -1.40 0.00 0.00 179.01 177.87 3iio h HIS 209 N 0.00 0.31 -0.07 4.33 3.86 -1.71 -0.05 115.15 121.83 3iio h HIS 209 Ca -0.00 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3iio h HIS 209 Cb 0.44 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3iio h HIS 209 CO 0.00 0.26 -0.15 0.74 0.86 0.00 0.00 177.93 179.63 3iio h PHE 210 N 0.33 0.30 -0.13 2.45 0.04 -1.53 -2.04 116.94 116.36 3iio h PHE 210 Ca 0.08 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.79 3iio h PHE 210 Cb 0.07 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 3iio h PHE 210 CO 0.00 0.76 -0.20 1.25 -0.60 0.00 0.00 178.31 179.52 3iio h LEU 211 N -0.25 -0.61 -0.95 1.54 5.85 -1.33 -0.15 115.31 119.41 3iio h LEU 211 Ca 0.00 0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.02 3iio h LEU 211 Cb 0.74 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 3iio h LEU 211 CO 0.03 -0.25 0.53 -0.33 -0.34 0.00 0.00 178.44 178.09 3iio h GLU 212 N -0.25 0.63 -0.53 1.25 5.08 -1.07 -1.49 114.58 118.20 3iio h GLU 212 Ca 0.10 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3iio h GLU 212 Cb 0.40 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3iio h GLU 212 CO -0.28 0.42 -0.07 0.00 -1.00 0.00 0.00 179.01 178.08 3iio h ALA 213 N 1.65 0.72 0.00 3.43 0.00 -0.32 -1.93 119.26 122.81 3iio h ALA 213 Ca 0.56 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3iio h ALA 213 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3iio h ALA 213 CO -0.41 0.60 -0.41 0.74 0.00 0.00 0.00 179.25 179.77 3iio h PHE 214 N 0.86 0.00 -0.19 0.00 0.04 -0.65 -2.47 116.94 114.52 3iio h PHE 214 Ca 0.14 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.76 3iio h PHE 214 Cb 0.62 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3iio h PHE 214 CO 0.04 0.41 -0.52 -0.07 -0.60 0.00 0.00 178.31 177.58 3iio h LEU 215 N 0.00 0.61 -0.32 1.54 3.38 -0.75 -2.60 115.31 117.15 3iio h LEU 215 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3iio h LEU 215 Cb 0.82 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3iio h LEU 215 CO 0.05 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.60 3iio n ALA 216 N -2.51 1.70 0.00 1.53 0.00 -0.77 -4.87 120.51 115.57 3iio n ALA 216 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iio n ALA 216 Cb 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.07 1.12 3.75 0.00 0.00 -0.98 -3.97 105.19 105.18 3iio n GLY 217 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 2.61 -0.39 4.61 0.00 -0.94 -4.83 121.76 120.83 3iio s ALA 218 Ca 0.00 1.08 0.17 0.00 0.00 0.00 0.00 51.96 53.22 3iio s ALA 218 Cb 0.00 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 3iio s ALA 218 CO 0.00 -1.20 0.54 -0.25 0.00 0.00 0.00 175.76 174.85 3iio n ASP 219 N -1.42 0.92 -3.71 0.00 8.00 -0.25 -4.57 116.55 115.51 3iio n ASP 219 Ca 0.13 -0.42 -0.14 0.00 0.71 0.00 0.00 54.79 55.07 3iio n ASP 219 Cb 0.48 1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 42.92 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 -2.92 -1.12 -0.13 2.24 0.00 -1.12 -2.04 121.76 116.68 3iio s ALA 220 Ca -0.00 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3iio s ALA 220 Cb 0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3iio s ALA 220 CO 0.71 -0.24 -0.17 0.00 0.00 0.00 0.00 175.76 176.06 3iio s ALA 221 N -0.20 2.45 -0.10 0.00 0.00 0.16 -1.01 121.76 123.06 3iio s ALA 221 Ca -0.04 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3iio s ALA 221 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3iio s ALA 221 CO 0.02 0.19 -0.16 0.21 0.00 0.00 0.00 175.76 176.02 3iio s LYS 222 N 0.46 3.01 0.14 0.00 2.20 -0.89 0.74 119.74 125.40 3iio s LYS 222 Ca -0.12 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 3iio s LYS 222 Cb -0.16 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 3iio s LYS 222 CO 0.05 0.35 0.22 0.00 -0.36 0.00 0.00 175.35 175.61 3iio s ALA 223 N -0.02 0.12 0.00 3.13 0.00 -0.23 -4.46 121.76 120.29 3iio s ALA 223 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3iio s ALA 223 Cb -0.14 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3iio s ALA 223 CO 0.04 -0.59 0.00 -0.40 0.00 0.00 0.00 175.76 174.81 3iio n ASP 224 N -0.16 0.00 -0.20 0.00 5.75 -1.26 -2.43 116.55 118.24 3iio n ASP 224 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.73 3iio n ASP 224 Cb 0.63 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 41.01 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 0.78 -0.66 -1.12 4.64 -1.96 -0.19 113.55 115.04 3iio h SER 225 Ca 0.00 -0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.45 3iio h SER 225 Cb 0.00 -0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 61.80 3iio h SER 225 CO 0.00 0.54 0.06 0.58 -0.87 0.00 0.00 176.83 177.14 3iio h VAL 226 N 0.91 0.50 0.22 0.95 2.07 -1.92 -0.61 116.25 118.36 3iio h VAL 226 Ca 0.29 -0.06 -0.34 0.00 0.82 0.00 0.00 66.70 67.42 3iio h VAL 226 Cb 0.05 0.32 0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3iio h VAL 226 CO -0.08 0.03 -1.58 -0.26 0.02 0.00 0.00 177.57 175.70 3iio h PHE 227 N 0.17 0.84 -0.19 1.57 0.04 -1.51 -2.15 116.94 115.71 3iio h PHE 227 Ca 0.35 -0.61 -0.04 0.00 2.80 0.00 0.00 57.97 60.47 3iio h PHE 227 Cb 0.58 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3iio h PHE 227 CO -0.33 1.58 -0.04 0.45 -0.60 0.00 0.00 178.31 179.38 3iio h HIS 228 N 0.13 0.40 -0.58 -0.55 3.86 -0.92 -2.64 115.15 114.85 3iio h HIS 228 Ca -0.28 -0.08 -0.38 0.00 -1.16 0.00 0.00 60.37 58.46 3iio h HIS 228 Cb 2.13 -0.10 -0.16 0.00 1.06 0.00 0.00 27.41 30.34 3iio h HIS 228 CO 0.11 0.61 0.48 1.19 0.86 0.00 0.00 177.93 181.18 3iio n PHE 229 N -4.65 1.78 -1.02 2.45 0.99 -0.25 -1.41 117.46 115.35 3iio n PHE 229 Ca -0.05 -2.12 -0.06 0.00 -0.00 0.00 0.00 57.45 55.22 3iio n PHE 229 Cb 0.27 -1.04 -0.03 0.00 -1.00 0.00 0.00 39.48 37.68 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 0.19 -1.42 0.23 -1.08 1.74 -1.00 -4.80 116.66 110.52 3iio n ARG 230 Ca 0.35 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.98 3iio n ARG 230 Cb 0.59 -4.36 0.44 0.00 -1.02 0.00 0.00 32.46 28.10 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 0.00 0.00 -3.21 5.56 5.08 -1.64 -3.42 114.58 116.96 3iio h GLU 231 Ca -0.13 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.82 3iio h GLU 231 Cb 0.53 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.38 3iio h GLU 231 CO 0.19 0.19 -0.75 0.42 -1.00 0.00 0.00 179.01 178.06 3iio s ILE 232 N -3.56 -0.08 -0.23 3.13 1.01 -0.90 -5.02 121.20 115.55 3iio s ILE 232 Ca 0.02 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 3iio s ILE 232 Cb 0.09 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.21 3iio s ILE 232 CO 0.63 -0.03 1.12 -0.62 0.00 0.00 0.00 174.94 176.05 3iio s ASP 233 N 2.15 7.00 0.24 3.58 2.15 -1.26 -4.52 116.67 126.01 3iio s ASP 233 Ca 0.04 1.39 -0.07 0.00 0.43 0.00 0.00 52.55 54.34 3iio s ASP 233 Cb -0.14 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.38 3iio s ASP 233 CO -0.06 -0.76 1.64 0.58 -0.17 0.00 0.00 175.17 176.40 3iio h VAL 234 N 5.55 0.36 -0.07 1.11 2.07 -1.95 0.65 116.25 123.97 3iio h VAL 234 Ca -0.22 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 3iio h VAL 234 Cb 1.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3iio h VAL 234 CO 0.99 0.02 -0.46 -0.09 0.02 0.00 0.00 177.57 178.05 3iio h ARG 235 N 0.12 0.17 -0.28 1.57 9.65 -1.92 -2.93 114.38 120.76 3iio h ARG 235 Ca 0.41 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 59.04 3iio h ARG 235 Cb 0.72 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3iio h ARG 235 CO -0.64 0.60 -0.48 0.93 2.80 0.00 0.00 179.97 183.19 3iio h GLU 236 N 0.14 0.82 -0.60 0.20 5.08 -1.42 -3.13 114.58 115.66 3iio h GLU 236 Ca 0.01 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3iio h GLU 236 Cb 0.87 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3iio h GLU 236 CO 0.07 1.14 0.30 1.25 -1.00 0.00 0.00 179.01 180.76 3iio h LEU 237 N 0.58 0.76 -0.31 1.33 5.85 -0.80 -1.26 115.31 121.46 3iio h LEU 237 Ca 0.02 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 3iio h LEU 237 Cb 1.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3iio h LEU 237 CO 0.11 0.64 -0.85 0.11 -0.34 0.00 0.00 178.44 178.11 3iio h LYS 238 N 0.85 0.08 -0.41 1.25 1.57 -1.62 -1.59 116.57 116.69 3iio h LYS 238 Ca 0.21 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3iio h LYS 238 Cb 0.08 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3iio h LYS 238 CO -0.03 0.88 0.22 0.93 -0.57 0.00 0.00 179.45 180.89 3iio h GLU 239 N 0.04 0.44 -0.31 3.15 5.08 -1.41 -2.16 114.58 119.41 3iio h GLU 239 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3iio h GLU 239 Cb 1.49 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 3iio h GLU 239 CO 0.12 0.29 0.15 -0.92 -1.00 0.00 0.00 179.01 177.65 3iio h TYR 240 N 0.45 0.28 -0.04 4.33 3.20 -1.09 -2.44 116.97 121.66 3iio h TYR 240 Ca 0.17 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3iio h TYR 240 Cb 0.05 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.24 3iio h TYR 240 CO -0.09 0.15 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.04 3iio h LEU 241 N 0.32 0.49 -0.33 2.82 3.38 -1.18 -2.79 115.31 118.02 3iio h LEU 241 Ca 0.13 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 3iio h LEU 241 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3iio h LEU 241 CO -0.09 1.12 0.09 0.50 0.09 0.00 0.00 178.44 180.16 3iio h LYS 242 N -0.10 0.52 -0.88 1.13 1.63 -1.48 0.24 116.57 117.63 3iio h LYS 242 Ca -0.05 -0.12 0.15 0.00 -0.85 0.00 0.00 60.65 59.79 3iio h LYS 242 Cb 1.16 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 3iio h LYS 242 CO 0.10 0.57 0.57 -0.22 -3.45 0.00 0.00 179.45 177.01 3iio h LYS 243 N 0.38 0.62 -0.65 1.90 3.64 -1.39 -1.18 116.57 119.90 3iio h LYS 243 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3iio h LYS 243 Cb 0.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3iio h LYS 243 CO -0.00 0.41 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 3iio n HIS 244 N -4.56 1.16 0.00 1.91 8.25 -0.94 -4.95 115.22 116.10 3iio n HIS 244 Ca 0.17 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3iio n HIS 244 Cb 0.50 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.24 0.63 3.72 -1.41 0.00 -0.44 -5.06 105.19 103.87 3iio n GLY 245 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 3.78 -1.30 1.61 1.01 0.01 -4.92 120.40 118.58 3iio s VAL 246 Ca 0.00 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.19 3iio s VAL 246 Cb 0.00 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.63 3iio s VAL 246 CO 0.00 0.14 1.79 -3.20 0.00 0.00 0.00 175.10 173.83 3iio n ASN 247 N 3.44 4.83 -4.90 3.32 5.15 -1.26 -3.97 115.26 121.86 3iio n ASN 247 Ca 0.08 -2.96 -0.27 0.00 -0.60 0.00 0.00 54.58 50.82 3iio n ASN 247 Cb 0.45 -1.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.04 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 2.42 5.13 -0.13 3.44 -7.23 -1.26 0.18 120.40 122.94 3iio s VAL 248 Ca 0.46 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.68 3iio s VAL 248 Cb 0.05 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 3iio s VAL 248 CO 0.01 -0.04 0.74 -0.60 -0.31 0.00 0.00 175.10 174.90 3iio s ARG 249 N -3.03 4.34 0.00 4.82 3.52 -1.26 -4.96 118.95 122.38 3iio s ARG 249 Ca 0.34 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3iio s ARG 249 Cb -0.11 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3iio s ARG 249 CO 0.27 -0.14 0.00 -0.11 -0.81 0.00 0.00 175.30 174.51