#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrx s VAL 2 N 0.00 0.74 0.26 1.12 1.01 -1.26 0.57 120.40 122.85 3hrx s VAL 2 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3hrx s VAL 2 Cb 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3hrx s VAL 2 CO 0.00 -0.02 1.09 -0.22 0.00 0.00 0.00 175.10 175.95 3hrx s LEU 3 N 1.78 4.55 -0.17 3.92 2.96 -0.07 -4.85 118.68 126.80 3hrx s LEU 3 Ca 0.00 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.15 3hrx s LEU 3 Cb -0.16 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.93 3hrx s LEU 3 CO -0.07 -0.13 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.10 3hrx s LYS 4 N -1.29 2.78 0.09 1.98 1.02 -1.26 -1.32 119.74 121.75 3hrx s LYS 4 Ca 0.45 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.75 3hrx s LYS 4 Cb -0.31 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 3hrx s LYS 4 CO 0.40 -0.21 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.24 3hrx s GLU 5 N 1.33 0.97 -0.03 1.68 2.02 -0.01 -4.98 118.70 119.69 3hrx s GLU 5 Ca 0.05 -1.08 0.06 0.00 0.02 0.00 0.00 54.97 54.01 3hrx s GLU 5 Cb -0.13 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.02 3hrx s GLU 5 CO -0.12 0.24 -0.20 1.03 0.02 0.00 0.00 175.26 176.22 3hrx s ARG 6 N -1.96 1.79 -0.25 1.61 0.52 -1.26 0.62 118.95 120.02 3hrx s ARG 6 Ca 0.03 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.42 3hrx s ARG 6 Cb -0.09 -1.66 0.11 0.00 0.52 0.00 0.00 34.95 33.82 3hrx s ARG 6 CO 0.03 0.40 0.54 -0.65 0.02 0.00 0.00 175.30 175.64 3hrx s GLN 7 N -0.35 0.47 -1.25 3.54 -0.21 -0.24 -4.98 119.66 116.65 3hrx s GLN 7 Ca 0.04 1.23 -0.17 0.00 0.02 0.00 0.00 55.36 56.49 3hrx s GLN 7 Cb -0.09 0.54 0.02 0.00 1.00 0.00 0.00 33.01 34.48 3hrx s GLN 7 CO 0.00 -0.21 0.31 -0.25 -2.12 0.00 0.00 175.29 173.02 3hrx n ASP 8 N 5.26 -1.46 0.00 5.90 8.00 -1.26 0.28 116.55 133.28 3hrx n ASP 8 Ca -0.12 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3hrx n ASP 8 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3hrx n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrx n GLY 9 N -2.21 1.36 3.59 0.44 0.00 -1.26 -4.85 105.19 102.25 3hrx n GLY 9 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3hrx n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 10 N -3.82 4.70 -0.34 1.61 1.01 0.14 -0.24 120.40 123.47 3hrx s VAL 10 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3hrx s VAL 10 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3hrx s VAL 10 CO 0.00 0.42 0.36 -0.22 0.00 0.00 0.00 175.10 175.67 3hrx s LEU 11 N 0.70 4.45 -0.28 3.92 2.96 -0.07 -1.08 118.68 129.28 3hrx s LEU 11 Ca 0.04 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.58 3hrx s LEU 11 Cb -0.13 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3hrx s LEU 11 CO 0.02 -0.34 0.25 -0.69 -1.32 0.00 0.00 176.35 174.26 3hrx s VAL 12 N 2.02 5.27 -0.18 1.68 1.01 0.20 -1.04 120.40 129.35 3hrx s VAL 12 Ca 0.12 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 3hrx s VAL 12 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3hrx s VAL 12 CO 0.12 0.19 -0.04 -0.76 0.00 0.00 0.00 175.10 174.60 3hrx s LEU 13 N 1.85 3.08 -0.18 3.92 1.43 0.10 -0.83 118.68 128.06 3hrx s LEU 13 Ca 0.09 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3hrx s LEU 13 Cb -0.16 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3hrx s LEU 13 CO 0.11 0.09 -0.19 -0.89 0.23 0.00 0.00 176.35 175.70 3hrx s THR 14 N 0.82 2.16 0.10 5.49 2.01 -0.44 -1.65 115.64 124.13 3hrx s THR 14 Ca -0.01 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 3hrx s THR 14 Cb -0.15 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.36 3hrx s THR 14 CO 0.02 0.53 1.74 -0.76 -0.69 0.00 0.00 174.62 175.46 3hrx s LEU 15 N 1.26 4.38 -0.72 4.42 1.43 -0.22 -0.89 118.68 128.34 3hrx s LEU 15 Ca 0.04 2.62 0.05 0.00 -1.03 0.00 0.00 54.13 55.81 3hrx s LEU 15 Cb -0.13 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.70 3hrx s LEU 15 CO -0.11 -0.94 0.53 -3.20 0.23 0.00 0.00 176.35 172.85 3hrx n ASN 16 N 5.61 3.14 -2.72 2.29 4.05 0.19 -1.46 115.26 126.37 3hrx n ASN 16 Ca 0.17 -3.22 -0.08 0.00 0.45 0.00 0.00 54.58 51.89 3hrx n ASN 16 Cb 0.39 -0.78 0.09 0.00 1.23 0.00 0.00 39.78 40.71 3hrx n ASN 16 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hrx n ARG 17 N 1.94 1.15 -0.34 1.20 1.74 -1.26 -4.28 116.66 116.81 3hrx n ARG 17 Ca 0.20 -2.27 0.14 0.00 -0.77 0.00 0.00 57.85 55.16 3hrx n ARG 17 Cb 0.35 -0.53 0.33 0.00 -1.02 0.00 0.00 32.46 31.59 3hrx n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hrx h PRO 18 N 2.41 0.61 0.00 5.56 0.13 -1.85 0.27 132.00 139.13 3hrx h PRO 18 Ca -0.20 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3hrx h PRO 18 Cb 1.23 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hrx h PRO 18 CO 0.12 0.41 -0.03 1.05 -0.23 0.00 0.00 178.00 179.32 3hrx h GLU 19 N 0.63 0.00 -0.31 0.86 9.09 -1.95 -0.96 114.58 121.95 3hrx h GLU 19 Ca 0.59 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.93 3hrx h GLU 19 Cb 1.02 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.08 3hrx h GLU 19 CO -0.44 0.03 0.00 1.63 0.05 0.00 0.00 179.01 180.28 3hrx n LYS 20 N -3.85 2.53 -3.83 1.06 5.02 -0.08 -4.94 118.16 114.07 3hrx n LYS 20 Ca -0.03 -2.95 -0.30 0.00 -2.02 0.00 0.00 58.31 53.01 3hrx n LYS 20 Cb 0.12 -1.85 0.02 0.00 -0.02 0.00 0.00 35.03 33.30 3hrx n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrx n LEU 21 N -0.74 -2.37 -4.09 -0.35 4.77 -0.36 -1.42 117.00 112.44 3hrx n LEU 21 Ca 0.26 -0.72 -0.33 0.00 -0.03 0.00 0.00 56.01 55.19 3hrx n LEU 21 Cb 0.96 -2.49 -0.01 0.00 -2.33 0.00 0.00 43.42 39.56 3hrx n LEU 21 CO 0.18 0.41 0.01 0.59 -1.33 0.00 0.00 177.39 177.25 3hrx n ASN 22 N -2.74 -3.68 -4.66 -1.43 3.02 0.76 -1.54 115.26 104.99 3hrx n ASN 22 Ca 0.03 -0.92 -0.40 0.00 -0.03 0.00 0.00 54.58 53.26 3hrx n ASN 22 Cb 0.53 -3.22 0.02 0.00 -0.61 0.00 0.00 39.78 36.50 3hrx n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hrx n ALA 23 N -4.50 0.71 -2.68 5.41 0.00 -0.51 -4.32 120.51 114.63 3hrx n ALA 23 Ca 0.04 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 3hrx n ALA 23 Cb 0.52 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 3hrx n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrx s ILE 24 N -1.29 4.99 0.29 0.00 1.01 0.12 -4.74 121.20 121.59 3hrx s ILE 24 Ca 0.65 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.70 3hrx s ILE 24 Cb -0.50 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 3hrx s ILE 24 CO 0.55 0.12 0.03 0.42 0.00 0.00 0.00 174.94 176.06 3hrx s THR 25 N 1.70 1.17 0.36 2.92 -4.23 -1.26 -0.96 115.64 115.33 3hrx s THR 25 Ca 0.33 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 3hrx s THR 25 Cb -0.16 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.24 3hrx s THR 25 CO 0.13 -0.13 1.92 1.23 -0.54 0.00 0.00 174.62 177.23 3hrx h GLY 26 N 2.25 0.53 0.91 3.99 0.00 -1.98 -0.17 103.07 108.60 3hrx h GLY 26 Ca -0.40 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 3hrx h GLY 26 CO 0.67 0.27 0.04 -2.09 0.00 0.00 0.00 176.54 175.44 3hrx h GLU 27 N 0.48 0.60 -0.59 4.80 4.81 -1.99 -1.11 114.58 121.57 3hrx h GLU 27 Ca 0.11 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3hrx h GLU 27 Cb 0.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3hrx h GLU 27 CO 0.00 0.68 0.27 1.25 -0.73 0.00 0.00 179.01 180.48 3hrx h LEU 28 N 0.43 0.79 -0.79 1.64 5.85 -1.80 -2.17 115.31 119.26 3hrx h LEU 28 Ca 0.11 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3hrx h LEU 28 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3hrx h LEU 28 CO 0.01 0.71 0.08 -0.07 -0.34 0.00 0.00 178.44 178.83 3hrx h LEU 29 N 0.81 0.95 -0.80 2.25 3.38 -0.85 -0.35 115.31 120.71 3hrx h LEU 29 Ca 0.20 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3hrx h LEU 29 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hrx h LEU 29 CO -0.02 0.96 -0.23 0.44 0.09 0.00 0.00 178.44 179.69 3hrx h ASP 30 N 0.93 0.66 -0.47 -0.43 3.32 -1.04 -0.16 116.42 119.23 3hrx h ASP 30 Ca 0.19 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 3hrx h ASP 30 Cb 0.43 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3hrx h ASP 30 CO 0.01 0.88 -0.20 0.00 -1.72 0.00 0.00 179.24 178.21 3hrx h ALA 31 N 1.18 0.66 -0.46 3.45 0.00 -1.07 -1.19 119.26 121.84 3hrx h ALA 31 Ca 0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3hrx h ALA 31 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hrx h ALA 31 CO 0.05 0.64 0.05 1.25 0.00 0.00 0.00 179.25 181.25 3hrx h LEU 32 N 0.82 0.74 -0.80 0.00 5.85 -0.81 -1.71 115.31 119.41 3hrx h LEU 32 Ca 0.11 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3hrx h LEU 32 Cb 0.78 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3hrx h LEU 32 CO 0.06 0.83 0.45 0.22 -0.34 0.00 0.00 178.44 179.67 3hrx h TYR 33 N 0.63 1.08 -0.58 1.25 5.03 -0.90 0.44 116.97 123.92 3hrx h TYR 33 Ca 0.14 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 3hrx h TYR 33 Cb 0.42 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3hrx h TYR 33 CO 0.03 0.75 0.28 0.00 -1.32 0.00 0.00 178.16 177.90 3hrx h ALA 34 N 1.24 0.75 -0.42 1.82 0.00 -0.97 0.13 119.26 121.81 3hrx h ALA 34 Ca 0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hrx h ALA 34 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hrx h ALA 34 CO -0.05 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 3hrx h ALA 35 N 1.12 0.57 -0.77 0.00 0.00 -0.90 -1.30 119.26 117.98 3hrx h ALA 35 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 35 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hrx h ALA 35 CO -0.03 0.38 0.29 -0.07 0.00 0.00 0.00 179.25 179.83 3hrx h LEU 36 N 0.59 1.07 -0.55 0.00 3.38 -0.69 0.89 115.31 120.00 3hrx h LEU 36 Ca 0.12 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3hrx h LEU 36 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3hrx h LEU 36 CO 0.03 0.96 0.08 0.50 0.09 0.00 0.00 178.44 180.09 3hrx h LYS 37 N 1.12 0.92 -0.25 1.13 3.64 -0.79 0.63 116.57 122.97 3hrx h LYS 37 Ca 0.25 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hrx h LYS 37 Cb 0.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3hrx h LYS 37 CO -0.02 0.89 0.10 1.49 -2.27 0.00 0.00 179.45 179.64 3hrx h GLU 38 N 0.81 0.37 -0.56 1.90 4.81 -0.78 -1.28 114.58 119.85 3hrx h GLU 38 Ca 0.17 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3hrx h GLU 38 Cb 0.43 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3hrx h GLU 38 CO 0.01 0.41 0.22 0.78 -0.73 0.00 0.00 179.01 179.70 3hrx h GLY 39 N 0.25 0.90 1.00 1.92 0.00 -0.65 -0.56 103.07 105.93 3hrx h GLY 39 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3hrx h GLY 39 CO -0.01 0.47 0.45 -2.09 0.00 0.00 0.00 176.54 175.36 3hrx h GLU 40 N 0.76 0.90 0.00 4.80 4.57 -0.73 -2.86 114.58 122.02 3hrx h GLU 40 Ca 0.18 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3hrx h GLU 40 Cb 0.21 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3hrx h GLU 40 CO -0.01 0.60 -0.07 0.93 -1.18 0.00 0.00 179.01 179.27 3hrx h GLU 41 N 0.93 0.00 -6.63 1.92 5.08 -1.01 -3.44 114.58 111.43 3hrx h GLU 41 Ca 0.25 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.05 3hrx h GLU 41 Cb -0.11 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 3hrx h GLU 41 CO -0.06 0.07 0.98 0.34 -1.00 0.00 0.00 179.01 179.34 3hrx s ASP 42 N -6.20 6.50 0.59 1.42 -1.08 -0.24 -4.88 116.67 112.78 3hrx s ASP 42 Ca 0.06 0.41 0.30 0.00 -0.52 0.00 0.00 52.55 52.80 3hrx s ASP 42 Cb 0.06 -2.55 1.82 0.00 -1.46 0.00 0.00 42.92 40.79 3hrx s ASP 42 CO 0.67 -1.38 2.25 0.08 0.52 0.00 0.00 175.17 177.30 3hrx h ARG 43 N 9.70 0.00 0.00 4.34 -0.00 -1.85 -1.03 114.38 125.54 3hrx h ARG 43 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 3hrx h ARG 43 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 3hrx h ARG 43 CO 1.14 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 181.50 3hrx n GLU 44 N -3.83 0.13 -3.26 0.08 1.02 -1.26 -4.61 120.64 108.91 3hrx n GLU 44 Ca -0.03 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 3hrx n GLU 44 Cb 0.10 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 3hrx n GLU 44 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hrx s VAL 45 N -2.87 5.03 -0.85 2.62 1.01 -0.39 -4.42 120.40 120.52 3hrx s VAL 45 Ca 0.18 0.25 0.19 0.00 0.00 0.00 0.00 61.98 62.60 3hrx s VAL 45 Cb 0.19 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 32.40 3hrx s VAL 45 CO 0.50 -0.24 0.78 0.54 0.00 0.00 0.00 175.10 176.68 3hrx n ARG 46 N 5.72 0.83 -3.47 2.72 5.12 0.67 -4.92 116.66 123.33 3hrx n ARG 46 Ca -0.05 -0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.74 3hrx n ARG 46 Cb 0.49 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 3hrx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hrx s ALA 47 N -2.78 -1.70 0.12 7.54 0.00 -0.99 -4.16 121.76 119.79 3hrx s ALA 47 Ca 0.07 0.83 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3hrx s ALA 47 Cb 0.14 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3hrx s ALA 47 CO 0.77 -0.64 -0.20 -0.51 0.00 0.00 0.00 175.76 175.17 3hrx s LEU 48 N -2.27 2.34 -0.08 0.00 1.02 -0.51 -0.89 118.68 118.29 3hrx s LEU 48 Ca -0.01 -0.74 -0.00 0.00 0.02 0.00 0.00 54.13 53.40 3hrx s LEU 48 Cb -0.01 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.35 3hrx s LEU 48 CO -0.06 0.03 -0.04 -0.22 0.02 0.00 0.00 176.35 176.08 3hrx s LEU 49 N -2.13 1.01 -0.12 1.79 2.96 -0.21 -0.52 118.68 121.47 3hrx s LEU 49 Ca 0.09 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3hrx s LEU 49 Cb -0.09 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 3hrx s LEU 49 CO 0.05 -0.12 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.57 3hrx s LEU 50 N 1.57 2.52 0.35 -0.68 2.96 0.28 0.02 118.68 125.69 3hrx s LEU 50 Ca 0.00 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 3hrx s LEU 50 Cb -0.13 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.02 3hrx s LEU 50 CO -0.04 0.15 0.53 0.28 -1.32 0.00 0.00 176.35 175.95 3hrx s THR 51 N 0.40 0.00 0.10 3.68 -1.32 -0.66 -1.00 115.64 116.84 3hrx s THR 51 Ca -0.13 -1.49 0.09 0.00 -1.21 0.00 0.00 61.69 58.95 3hrx s THR 51 Cb -0.16 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.13 3hrx s THR 51 CO 0.06 0.00 -0.21 -0.83 -2.21 0.00 0.00 174.62 171.43 3hrx s GLY 52 N -3.20 1.62 0.20 6.08 0.00 -1.26 -1.06 107.32 109.71 3hrx s GLY 52 Ca 0.28 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 3hrx s GLY 52 CO 0.18 -1.29 0.61 0.00 0.00 0.00 0.00 173.10 172.60 3hrx s ALA 53 N -1.06 3.51 0.00 3.20 0.00 -0.53 -4.80 121.76 122.07 3hrx s ALA 53 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3hrx s ALA 53 Cb -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3hrx s ALA 53 CO 0.08 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.67 3hrx n GLY 54 N 0.46 -0.83 0.19 0.00 0.00 -1.26 -4.30 105.19 99.44 3hrx n GLY 54 Ca -0.02 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.56 3hrx n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hrx h ARG 55 N 0.00 0.00 -5.34 1.61 2.43 -1.91 -3.47 114.38 107.70 3hrx h ARG 55 Ca 0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 3hrx h ARG 55 Cb 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.41 3hrx h ARG 55 CO 0.00 0.32 -0.71 0.00 -1.51 0.00 0.00 179.97 178.07 3hrx s ALA 56 N -3.36 1.83 -0.06 2.80 0.00 -1.26 -4.06 121.76 117.65 3hrx s ALA 56 Ca 0.02 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.17 3hrx s ALA 56 Cb 0.09 0.04 -0.13 0.00 0.00 0.00 0.00 23.12 23.12 3hrx s ALA 56 CO 0.68 -0.03 0.71 0.35 0.00 0.00 0.00 175.76 177.47 3hrx h PHE 57 N 2.60 -0.23 -0.82 0.00 3.57 -1.42 -3.37 116.94 117.27 3hrx h PHE 57 Ca -0.38 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.33 3hrx h PHE 57 Cb 1.21 0.08 -0.30 0.00 2.79 0.00 0.00 35.95 39.73 3hrx h PHE 57 CO 0.68 0.14 0.58 0.45 -2.23 0.00 0.00 178.31 177.93 3hrx s SER 58 N -5.41 -0.17 0.00 0.41 0.15 -0.46 -4.44 113.70 103.77 3hrx s SER 58 Ca -0.10 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.04 3hrx s SER 58 Cb 0.00 1.13 1.37 0.00 -1.71 0.00 0.00 66.02 66.81 3hrx s SER 58 CO 0.38 -0.04 1.89 0.00 1.20 0.00 0.00 173.24 176.67 3hrx n ALA 59 N 3.81 2.63 0.00 5.45 0.00 -0.59 -1.52 120.51 130.29 3hrx n ALA 59 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3hrx n ALA 59 Cb 0.56 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3hrx n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrx n GLY 60 N 0.90 -1.75 3.64 0.00 0.00 -1.03 -4.52 105.19 102.44 3hrx n GLY 60 Ca 0.18 -2.02 -0.48 0.00 0.00 0.00 0.00 46.02 43.70 3hrx n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrx n GLN 61 N 0.00 1.81 -2.50 1.61 -0.06 -1.26 0.12 117.38 117.10 3hrx n GLN 61 Ca 0.00 0.65 -0.43 0.00 -2.00 0.00 0.00 57.00 55.23 3hrx n GLN 61 Cb 0.00 -2.37 -0.02 0.00 -4.06 0.00 0.00 30.24 23.79 3hrx n GLN 61 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3hrx s ASP 62 N 0.71 7.04 0.00 1.69 -1.08 -0.14 -4.68 116.67 120.21 3hrx s ASP 62 Ca 0.80 1.67 0.21 0.00 -0.52 0.00 0.00 52.55 54.71 3hrx s ASP 62 Cb -0.77 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 38.88 3hrx s ASP 62 CO 0.42 -0.65 1.54 0.18 0.52 0.00 0.00 175.17 177.18 3hrx n LEU 63 N 5.87 1.75 -0.23 -1.34 4.77 -1.26 -4.49 117.00 122.07 3hrx n LEU 63 Ca 0.12 -0.73 0.03 0.00 -0.03 0.00 0.00 56.01 55.40 3hrx n LEU 63 Cb 0.46 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.58 3hrx n LEU 63 CO 0.55 0.36 0.98 0.71 -1.33 0.00 0.00 177.39 178.66 3hrx h THR 64 N 2.32 0.68 0.00 -5.08 1.35 -1.99 -2.03 112.91 108.17 3hrx h THR 64 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3hrx h THR 64 Cb 0.51 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3hrx h THR 64 CO 0.00 0.07 0.00 -0.62 -0.25 0.00 0.00 175.52 174.72 3hrx n GLU 65 N -5.03 0.66 -2.10 4.72 1.02 -1.26 -4.86 120.64 113.79 3hrx n GLU 65 Ca 0.11 0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 3hrx n GLU 65 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 3hrx n GLU 65 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3hrx s PHE 66 N -2.16 3.03 0.00 -0.32 5.36 -0.77 -2.48 117.98 120.64 3hrx s PHE 66 Ca 0.34 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 3hrx s PHE 66 Cb 0.17 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 3hrx s PHE 66 CO 0.31 -1.92 0.00 0.41 -1.46 0.00 0.00 175.22 172.56 3hrx n GLY 67 N 0.83 3.28 0.31 13.12 0.00 -1.26 -4.88 105.19 116.59 3hrx n GLY 67 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3hrx n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hrx h ASP 68 N 0.00 0.00 -5.52 1.61 5.19 -1.83 -3.46 116.42 112.41 3hrx h ASP 68 Ca 0.00 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.62 3hrx h ASP 68 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 3hrx h ASP 68 CO 0.00 0.02 0.66 -0.13 -3.12 0.00 0.00 179.24 176.67 3hrx s ARG 69 N -4.35 1.04 0.02 3.56 3.00 -1.26 -5.12 118.95 115.85 3hrx s ARG 69 Ca -0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 55.73 54.73 3hrx s ARG 69 Cb 0.14 0.30 -0.09 0.00 0.00 0.00 0.00 34.95 35.30 3hrx s ARG 69 CO 0.50 -0.49 1.98 -1.59 0.00 0.00 0.00 175.30 175.71 3hrx s LYS 70 N -2.24 4.08 -0.19 3.54 0.00 -1.26 -4.87 119.74 118.81 3hrx s LYS 70 Ca 0.22 2.58 -0.30 0.00 0.00 0.00 0.00 55.97 58.47 3hrx s LYS 70 Cb -0.02 -4.17 -0.07 0.00 0.00 0.00 0.00 37.83 33.57 3hrx s LYS 70 CO 0.03 -1.02 2.16 -2.30 0.00 0.00 0.00 175.35 174.22 3hrx n PRO 71 N 7.61 1.97 -3.55 1.78 -0.02 -1.26 -4.92 135.00 136.61 3hrx n PRO 71 Ca 0.20 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 3hrx n PRO 71 Cb 0.41 -3.05 -0.08 0.00 -0.02 0.00 0.00 33.50 30.76 3hrx n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hrx n ASP 72 N 10.51 3.92 0.21 2.55 -0.08 -1.26 -4.90 116.55 127.50 3hrx n ASP 72 Ca 0.30 -3.33 0.06 0.00 -1.51 0.00 0.00 54.79 50.31 3hrx n ASP 72 Cb 0.40 -0.82 0.48 0.00 2.34 0.00 0.00 41.12 43.51 3hrx n ASP 72 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3hrx h TYR 73 N 4.95 0.00 -0.24 -0.67 -1.99 -1.99 -1.96 116.97 115.06 3hrx h TYR 73 Ca 0.18 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 3hrx h TYR 73 Cb 0.71 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 3hrx h TYR 73 CO 0.74 0.27 -0.03 1.49 -0.00 0.00 0.00 178.16 180.64 3hrx h GLU 74 N 0.00 0.45 -0.48 4.88 4.81 -1.99 0.18 114.58 122.43 3hrx h GLU 74 Ca -0.00 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3hrx h GLU 74 Cb 0.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3hrx h GLU 74 CO 0.04 0.65 0.12 0.00 -0.73 0.00 0.00 179.01 179.09 3hrx h ALA 75 N 0.78 0.64 0.15 2.92 0.00 -1.94 0.14 119.26 121.94 3hrx h ALA 75 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hrx h ALA 75 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hrx h ALA 75 CO 0.02 0.33 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 3hrx h HIS 76 N 0.66 -0.18 -0.61 0.00 -0.00 -1.24 -1.69 115.15 112.08 3hrx h HIS 76 Ca 0.15 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3hrx h HIS 76 Cb 0.33 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 3hrx h HIS 76 CO 0.02 -0.09 0.04 -0.07 -0.00 0.00 0.00 177.93 177.84 3hrx h LEU 77 N -0.23 1.02 -1.91 0.26 3.38 -0.90 -0.94 115.31 116.00 3hrx h LEU 77 Ca -0.02 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hrx h LEU 77 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hrx h LEU 77 CO 0.03 1.05 0.02 0.03 0.09 0.00 0.00 178.44 179.66 3hrx h ARG 78 N 0.95 0.07 0.16 1.13 3.08 -0.85 0.53 114.38 119.46 3hrx h ARG 78 Ca 0.18 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.92 3hrx h ARG 78 Cb 0.50 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.57 3hrx h ARG 78 CO 0.02 0.07 -1.28 -0.09 -1.07 0.00 0.00 179.97 177.62 3hrx h ARG 79 N 0.07 0.58 -0.02 0.04 2.43 -0.74 -3.37 114.38 113.38 3hrx h ARG 79 Ca 0.02 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.35 3hrx h ARG 79 Cb 0.03 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3hrx h ARG 79 CO -0.00 1.39 -0.27 0.66 -1.51 0.00 0.00 179.97 180.24 3hrx n TYR 80 N -3.80 0.00 0.27 2.20 4.01 -0.41 -4.21 117.16 115.22 3hrx n TYR 80 Ca -0.15 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.74 3hrx n TYR 80 Cb 1.01 -0.01 0.73 0.00 -0.31 0.00 0.00 39.34 40.76 3hrx n TYR 80 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hrx h ASN 81 N 3.15 0.00 0.26 7.72 2.35 -0.10 -1.24 115.58 127.71 3hrx h ASN 81 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hrx h ASN 81 Cb 0.81 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 3hrx h ASN 81 CO 0.00 0.00 -0.06 0.08 -1.65 0.00 0.00 177.43 175.80 3hrx h ARG 82 N 0.00 0.00 -0.20 0.81 0.11 -1.82 -0.67 114.38 112.61 3hrx h ARG 82 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3hrx h ARG 82 Cb 0.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 3hrx h ARG 82 CO 0.00 0.06 -0.24 0.28 0.10 0.00 0.00 179.97 180.17 3hrx h VAL 83 N 0.00 1.33 -0.48 0.08 2.07 -1.54 -0.88 116.25 116.83 3hrx h VAL 83 Ca -0.00 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 3hrx h VAL 83 Cb 0.20 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3hrx h VAL 83 CO 0.01 0.43 0.12 0.58 0.02 0.00 0.00 177.57 178.73 3hrx h VAL 84 N 0.18 1.24 -0.58 2.57 2.07 -1.44 0.31 116.25 120.61 3hrx h VAL 84 Ca 0.03 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.78 3hrx h VAL 84 Cb 0.80 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3hrx h VAL 84 CO 0.06 0.30 0.28 -0.33 0.02 0.00 0.00 177.57 177.90 3hrx h GLU 85 N 0.64 0.51 -0.29 1.57 4.39 -1.09 0.19 114.58 120.49 3hrx h GLU 85 Ca 0.15 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 3hrx h GLU 85 Cb 0.33 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3hrx h GLU 85 CO 0.00 0.34 0.10 0.00 -1.16 0.00 0.00 179.01 178.29 3hrx h ALA 86 N 1.33 0.38 0.13 3.43 0.00 -0.72 -1.29 119.26 122.52 3hrx h ALA 86 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hrx h ALA 86 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hrx h ALA 86 CO -0.20 0.00 -0.19 -0.07 0.00 0.00 0.00 179.25 178.78 3hrx h LEU 87 N 0.32 -0.54 -1.78 0.00 3.38 -0.38 -2.43 115.31 113.88 3hrx h LEU 87 Ca 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hrx h LEU 87 Cb 0.22 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hrx h LEU 87 CO -0.01 -0.28 -0.16 0.77 0.09 0.00 0.00 178.44 178.86 3hrx h SER 88 N -0.38 0.00 -0.04 -0.43 4.64 -0.92 -2.95 113.55 113.47 3hrx h SER 88 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hrx h SER 88 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hrx h SER 88 CO -0.09 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3hrx n GLY 89 N -0.84 0.37 3.64 -0.77 0.00 -0.50 -4.93 105.19 102.16 3hrx n GLY 89 Ca -0.02 -0.52 -0.53 0.00 0.00 0.00 0.00 46.02 44.94 3hrx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hrx n LEU 90 N 0.57 2.13 -2.12 0.99 4.77 -0.94 -4.81 117.00 117.59 3hrx n LEU 90 Ca 0.17 1.09 -0.22 0.00 -0.03 0.00 0.00 56.01 57.03 3hrx n LEU 90 Cb 0.43 -1.20 0.01 0.00 -2.33 0.00 0.00 43.42 40.33 3hrx n LEU 90 CO 0.16 -0.71 1.35 -0.62 -1.33 0.00 0.00 177.39 176.24 3hrx n GLU 91 N 3.82 2.07 -3.52 3.23 1.02 -1.26 -4.77 120.64 121.23 3hrx n GLU 91 Ca 0.21 -1.97 -0.13 0.00 -0.02 0.00 0.00 57.16 55.25 3hrx n GLU 91 Cb 0.18 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 3hrx n GLU 91 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3hrx s LYS 92 N -1.98 0.90 0.36 3.49 -2.85 -1.26 -4.54 119.74 113.86 3hrx s LYS 92 Ca 0.43 0.05 -0.28 0.00 -1.00 0.00 0.00 55.97 55.17 3hrx s LYS 92 Cb 0.31 0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 36.40 3hrx s LYS 92 CO -0.07 -0.32 1.32 -1.25 0.10 0.00 0.00 175.35 175.13 3hrx s PRO 93 N -1.77 4.20 -0.17 1.78 0.04 -1.26 -4.86 135.00 132.97 3hrx s PRO 93 Ca -0.04 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3hrx s PRO 93 Cb -0.00 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3hrx s PRO 93 CO 0.02 -0.32 -0.15 -1.17 0.04 0.00 0.00 177.00 175.41 3hrx s LEU 94 N -2.04 2.43 -0.10 -3.56 2.96 -1.26 -1.42 118.68 115.68 3hrx s LEU 94 Ca 0.52 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3hrx s LEU 94 Cb -0.40 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3hrx s LEU 94 CO 0.53 0.06 0.01 -0.69 -1.32 0.00 0.00 176.35 174.93 3hrx s VAL 95 N 0.98 4.35 -0.08 1.68 1.01 0.33 -0.49 120.40 128.18 3hrx s VAL 95 Ca -0.02 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3hrx s VAL 95 Cb -0.15 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3hrx s VAL 95 CO -0.03 0.58 -0.22 -0.69 0.00 0.00 0.00 175.10 174.74 3hrx s VAL 96 N -0.66 2.27 -0.31 2.92 1.01 -0.69 -0.55 120.40 124.38 3hrx s VAL 96 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3hrx s VAL 96 Cb -0.12 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.48 3hrx s VAL 96 CO 0.02 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.69 3hrx s ALA 97 N 0.06 2.80 -0.62 5.51 0.00 -0.17 -0.94 121.76 128.40 3hrx s ALA 97 Ca -0.09 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 49.45 3hrx s ALA 97 Cb -0.15 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.14 3hrx s ALA 97 CO 0.06 -1.48 0.99 0.08 0.00 0.00 0.00 175.76 175.41 3hrx s VAL 98 N 1.04 4.28 -0.86 0.00 1.01 0.23 -4.23 120.40 121.87 3hrx s VAL 98 Ca 0.02 0.05 0.27 0.00 0.00 0.00 0.00 61.98 62.32 3hrx s VAL 98 Cb -0.20 -4.64 0.22 0.00 0.00 0.00 0.00 36.38 31.76 3hrx s VAL 98 CO -0.06 -1.34 1.77 -0.46 0.00 0.00 0.00 175.10 175.01 3hrx n ASN 99 N 7.79 0.43 0.00 3.32 6.94 -1.26 -1.18 115.26 131.30 3hrx n ASN 99 Ca -0.00 0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 3hrx n ASN 99 Cb 0.47 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 3hrx n ASN 99 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrx n GLY 100 N 1.41 1.64 3.72 4.83 0.00 -1.26 -4.68 105.19 110.85 3hrx n GLY 100 Ca 0.06 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3hrx n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 101 N 1.38 2.98 -0.24 1.61 1.01 -1.26 -2.13 120.40 123.76 3hrx s VAL 101 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3hrx s VAL 101 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.99 3hrx s VAL 101 CO 0.00 0.06 0.02 0.00 0.00 0.00 0.00 175.10 175.18 3hrx s ALA 102 N 1.02 1.53 0.05 5.51 0.00 -0.32 -1.33 121.76 128.22 3hrx s ALA 102 Ca 0.66 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3hrx s ALA 102 Cb -0.40 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3hrx s ALA 102 CO 0.32 -1.31 -0.07 0.00 0.00 0.00 0.00 175.76 174.70 3hrx s ALA 103 N 1.61 0.60 0.00 0.00 0.00 -0.58 -1.90 121.76 121.49 3hrx s ALA 103 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3hrx s ALA 103 Cb -0.18 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3hrx s ALA 103 CO -0.11 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3hrx n GLY 104 N 1.17 3.20 0.28 0.00 0.00 -0.78 0.07 105.19 109.14 3hrx n GLY 104 Ca -0.21 -0.12 0.19 0.00 0.00 0.00 0.00 46.02 45.88 3hrx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx h ALA 105 N -0.75 1.00 -0.29 4.61 0.00 -1.88 0.72 119.26 122.66 3hrx h ALA 105 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3hrx h ALA 105 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hrx h ALA 105 CO 0.00 0.00 -0.46 0.78 0.00 0.00 0.00 179.25 179.57 3hrx h GLY 106 N 0.19 0.84 1.15 0.00 0.00 -0.57 -1.32 103.07 103.36 3hrx h GLY 106 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 47.33 46.25 3hrx h GLY 106 CO 0.00 0.81 -0.51 1.98 0.00 0.00 0.00 176.54 178.82 3hrx h MET 107 N 0.61 0.90 -0.10 4.80 4.05 -0.78 -2.20 114.93 122.22 3hrx h MET 107 Ca 0.04 -0.55 0.03 0.00 -0.28 0.00 0.00 59.70 58.94 3hrx h MET 107 Cb 1.02 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.85 3hrx h MET 107 CO 0.10 1.19 -0.08 0.77 0.23 0.00 0.00 176.91 179.12 3hrx h SER 108 N 0.70 -0.25 -0.65 1.39 0.02 -1.18 -1.48 113.55 112.10 3hrx h SER 108 Ca 0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3hrx h SER 108 Cb 1.12 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3hrx h SER 108 CO 0.12 -0.11 0.36 -0.07 -1.14 0.00 0.00 176.83 175.98 3hrx h LEU 109 N -0.09 0.80 -1.06 5.07 3.38 -1.21 -2.80 115.31 119.40 3hrx h LEU 109 Ca 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 109 Cb 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3hrx h LEU 109 CO -0.16 0.67 0.44 0.00 0.09 0.00 0.00 178.44 179.48 3hrx h ALA 110 N 1.17 1.28 0.00 1.53 0.00 -1.06 -2.44 119.26 119.75 3hrx h ALA 110 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hrx h ALA 110 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hrx h ALA 110 CO -0.04 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.08 3hrx n LEU 111 N -4.35 0.00 -0.00 0.00 4.77 -0.59 -2.52 117.00 114.31 3hrx n LEU 111 Ca 0.08 0.36 0.14 0.00 -0.03 0.00 0.00 56.01 56.56 3hrx n LEU 111 Cb 0.09 -0.36 0.66 0.00 -2.33 0.00 0.00 43.42 41.48 3hrx n LEU 111 CO 0.38 -0.16 0.97 0.79 -1.33 0.00 0.00 177.39 178.04 3hrx n TRP 112 N -1.36 0.00 -2.03 -1.77 7.02 -0.92 -4.84 117.44 113.53 3hrx n TRP 112 Ca 0.06 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.17 3hrx n TRP 112 Cb 0.15 -0.43 0.01 0.00 -2.42 0.00 0.00 31.31 28.62 3hrx n TRP 112 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3hrx s GLY 113 N -2.87 2.84 0.07 6.99 0.00 -1.05 -4.90 107.32 108.40 3hrx s GLY 113 Ca 0.18 1.13 -0.16 0.00 0.00 0.00 0.00 44.72 45.88 3hrx s GLY 113 CO 0.51 1.63 1.26 -0.55 0.00 0.00 0.00 173.10 175.95 3hrx h ASP 114 N 1.83 0.76 -3.47 1.64 3.32 -1.11 -3.43 116.42 115.96 3hrx h ASP 114 Ca -0.50 -0.64 -0.60 0.00 0.02 0.00 0.00 57.03 55.31 3hrx h ASP 114 Cb 1.27 -0.23 -0.33 0.00 0.22 0.00 0.00 39.33 40.27 3hrx h ASP 114 CO 0.59 1.28 -0.85 -0.76 -1.72 0.00 0.00 179.24 177.78 3hrx s LEU 115 N -8.51 1.88 -0.07 1.55 2.01 -1.13 -5.05 118.68 109.36 3hrx s LEU 115 Ca -0.12 -0.42 0.03 0.00 0.01 0.00 0.00 54.13 53.63 3hrx s LEU 115 Cb 0.07 -1.11 0.01 0.00 0.01 0.00 0.00 46.19 45.17 3hrx s LEU 115 CO 0.86 0.11 -0.16 -0.13 1.01 0.00 0.00 176.35 178.04 3hrx s ARG 116 N 0.42 2.10 0.06 1.70 0.52 -1.26 -1.70 118.95 120.78 3hrx s ARG 116 Ca -0.15 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 3hrx s ARG 116 Cb -0.16 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 3hrx s ARG 116 CO 0.06 0.09 -0.25 -0.51 0.02 0.00 0.00 175.30 174.70 3hrx s LEU 117 N 0.53 2.28 0.01 2.53 1.02 -0.12 0.61 118.68 125.55 3hrx s LEU 117 Ca -0.15 -0.58 0.05 0.00 0.02 0.00 0.00 54.13 53.47 3hrx s LEU 117 Cb -0.16 -1.32 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 3hrx s LEU 117 CO 0.05 0.25 -0.16 0.00 0.02 0.00 0.00 176.35 176.51 3hrx s ALA 118 N -0.87 1.33 0.45 4.21 0.00 -0.23 -0.60 121.76 126.06 3hrx s ALA 118 Ca 0.13 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 3hrx s ALA 118 Cb -0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 3hrx s ALA 118 CO 0.03 0.30 0.90 0.00 0.00 0.00 0.00 175.76 176.99 3hrx s ALA 119 N -0.58 3.16 0.35 0.00 0.00 -0.33 -1.51 121.76 122.84 3hrx s ALA 119 Ca 0.05 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 3hrx s ALA 119 Cb -0.07 -2.98 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 3hrx s ALA 119 CO 0.00 -0.06 1.54 0.08 0.00 0.00 0.00 175.76 177.32 3hrx s VAL 120 N -2.42 2.03 0.00 0.00 1.01 0.13 -1.13 120.40 120.02 3hrx s VAL 120 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3hrx s VAL 120 Cb -0.10 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3hrx s VAL 120 CO 0.27 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3hrx n GLY 121 N 1.12 1.32 3.78 4.51 0.00 -1.26 -4.44 105.19 110.23 3hrx n GLY 121 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hrx n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx s ALA 122 N -2.31 2.44 0.04 4.61 0.00 -0.29 -4.79 121.76 121.46 3hrx s ALA 122 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 3hrx s ALA 122 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3hrx s ALA 122 CO 0.00 -1.45 0.13 -1.54 0.00 0.00 0.00 175.76 172.90 3hrx s SER 123 N -3.23 0.13 -0.12 0.00 1.04 -0.90 -2.02 113.70 108.61 3hrx s SER 123 Ca 0.62 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 3hrx s SER 123 Cb -0.17 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3hrx s SER 123 CO 0.51 -0.53 -0.09 -0.36 0.98 0.00 0.00 173.24 173.74 3hrx s PHE 124 N -2.66 1.65 -0.11 5.02 0.08 -0.08 -1.17 117.98 120.72 3hrx s PHE 124 Ca -0.04 -0.85 -0.01 0.00 0.12 0.00 0.00 56.93 56.14 3hrx s PHE 124 Cb -0.01 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3hrx s PHE 124 CO -0.05 -0.54 -0.02 0.99 -0.10 0.00 0.00 175.22 175.50 3hrx s THR 125 N 1.60 0.66 0.26 0.64 2.01 -0.80 -0.69 115.64 119.33 3hrx s THR 125 Ca 0.04 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 3hrx s THR 125 Cb -0.13 -0.82 0.25 0.00 0.01 0.00 0.00 72.50 71.81 3hrx s THR 125 CO -0.08 0.22 1.83 0.71 -0.69 0.00 0.00 174.62 176.61 3hrx h THR 126 N 6.31 0.93 0.00 -0.82 1.35 -1.80 -2.07 112.91 116.82 3hrx h THR 126 Ca -0.23 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3hrx h THR 126 Cb 1.12 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3hrx h THR 126 CO 0.33 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 3hrx n ALA 127 N -2.36 0.00 -0.24 6.62 0.00 -1.26 -2.37 120.51 120.90 3hrx n ALA 127 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 3hrx n ALA 127 Cb 0.30 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.81 3hrx n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3hrx h PHE 128 N 0.00 -0.55 -0.23 0.00 -1.00 -1.86 -0.35 116.94 112.95 3hrx h PHE 128 Ca 0.00 0.07 0.07 0.00 2.81 0.00 0.00 57.97 60.91 3hrx h PHE 128 Cb 0.00 0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3hrx h PHE 128 CO 0.00 -0.33 0.20 -0.24 -1.61 0.00 0.00 178.31 176.32 3hrx h VAL 129 N -0.05 0.66 0.00 -0.55 3.04 -1.77 -1.47 116.25 116.11 3hrx h VAL 129 Ca 0.32 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.00 3hrx h VAL 129 Cb 0.54 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3hrx h VAL 129 CO -0.73 0.00 -0.05 0.03 -1.01 0.00 0.00 177.57 175.81 3hrx h ARG 130 N 0.00 0.00 -0.15 4.17 3.08 -1.36 -1.74 114.38 118.37 3hrx h ARG 130 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3hrx h ARG 130 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3hrx h ARG 130 CO -0.00 0.05 -0.15 0.44 -1.07 0.00 0.00 179.97 179.24 3hrx n ILE 131 N -3.57 2.23 -1.69 2.04 -5.35 -0.64 -4.97 119.36 107.41 3hrx n ILE 131 Ca -0.02 -2.58 -0.10 0.00 -0.27 0.00 0.00 62.75 59.78 3hrx n ILE 131 Cb 0.15 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.76 3hrx n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hrx n GLY 132 N -1.09 0.62 3.75 3.28 0.00 -0.66 -5.03 105.19 106.07 3hrx n GLY 132 Ca 0.23 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3hrx n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrx s LEU 133 N -2.58 3.19 0.34 0.99 1.43 -0.71 -4.97 118.68 116.38 3hrx s LEU 133 Ca 0.00 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 3hrx s LEU 133 Cb 0.00 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3hrx s LEU 133 CO 0.00 -0.47 0.46 0.68 0.23 0.00 0.00 176.35 177.24 3hrx s VAL 134 N -2.53 3.91 0.26 -1.59 -7.23 -1.26 -2.89 120.40 109.07 3hrx s VAL 134 Ca 0.41 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 3hrx s VAL 134 Cb 0.01 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.51 3hrx s VAL 134 CO 0.23 -0.14 1.20 -2.16 -0.31 0.00 0.00 175.10 173.92 3hrx s PRO 135 N -4.17 4.50 0.00 4.82 0.04 -1.26 -4.86 135.00 134.07 3hrx s PRO 135 Ca 0.46 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3hrx s PRO 135 Cb -0.09 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3hrx s PRO 135 CO 0.31 -0.01 0.00 -0.40 0.04 0.00 0.00 177.00 176.93 3hrx n ASP 136 N 1.54 0.70 -2.48 6.66 5.68 -1.26 -4.42 116.55 122.97 3hrx n ASP 136 Ca 0.01 -0.88 -0.21 0.00 -0.50 0.00 0.00 54.79 53.22 3hrx n ASP 136 Cb 0.44 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3hrx n ASP 136 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hrx n SER 137 N -2.02 -5.81 0.00 -1.12 7.64 -1.26 -1.81 113.62 109.24 3hrx n SER 137 Ca 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3hrx n SER 137 Cb 0.00 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.38 3hrx n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hrx n GLY 138 N -1.06 1.07 0.36 0.23 0.00 -1.26 -4.69 105.19 99.84 3hrx n GLY 138 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 3hrx n GLY 138 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 139 N 0.00 0.96 -1.68 0.99 5.85 -1.65 0.11 115.31 119.89 3hrx h LEU 139 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hrx h LEU 139 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3hrx h LEU 139 CO 0.00 0.71 -0.08 0.77 -0.34 0.00 0.00 178.44 179.50 3hrx h SER 140 N 1.12 0.00 0.00 1.25 4.64 -1.81 -0.62 113.55 118.13 3hrx h SER 140 Ca 0.30 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.49 3hrx h SER 140 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3hrx h SER 140 CO -0.06 0.08 -0.72 0.15 -0.87 0.00 0.00 176.83 175.40 3hrx h PHE 141 N 0.00 0.00 -0.13 4.77 3.04 -1.65 -3.41 116.94 119.56 3hrx h PHE 141 Ca -0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 3hrx h PHE 141 Cb 0.46 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 3hrx h PHE 141 CO 0.00 1.20 -0.17 -0.07 -2.02 0.00 0.00 178.31 177.25 3hrx h LEU 142 N -1.00 0.37 -0.04 0.59 3.38 -0.74 -3.34 115.31 114.53 3hrx h LEU 142 Ca -0.19 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.30 3hrx h LEU 142 Cb 1.12 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3hrx h LEU 142 CO -0.12 0.81 -0.33 0.25 0.09 0.00 0.00 178.44 179.14 3hrx h LEU 143 N -0.05 -0.99 -0.93 1.67 5.85 -1.34 0.39 115.31 119.90 3hrx h LEU 143 Ca 0.02 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3hrx h LEU 143 Cb 0.72 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3hrx h LEU 143 CO 0.04 -0.38 0.60 -0.65 -0.34 0.00 0.00 178.44 177.71 3hrx h PRO 144 N -0.45 1.12 -0.61 5.25 0.11 -1.78 -0.05 132.00 135.58 3hrx h PRO 144 Ca 0.07 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3hrx h PRO 144 Cb 0.56 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3hrx h PRO 144 CO -0.30 0.74 0.06 0.00 -0.21 0.00 0.00 178.00 178.30 3hrx h ARG 145 N 1.16 1.04 0.01 1.05 3.08 -1.57 0.25 114.38 119.40 3hrx h ARG 145 Ca 0.37 -0.30 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 3hrx h ARG 145 Cb 0.02 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 29.98 3hrx h ARG 145 CO -0.13 0.99 -1.06 -0.07 -1.07 0.00 0.00 179.97 178.63 3hrx h LEU 146 N 0.94 0.92 -0.65 3.04 3.38 -0.44 -3.39 115.31 119.12 3hrx h LEU 146 Ca 0.18 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3hrx h LEU 146 Cb 0.48 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hrx h LEU 146 CO 0.02 1.55 -0.06 1.33 0.09 0.00 0.00 178.44 181.36 3hrx n VAL 147 N -3.85 0.00 0.00 1.22 0.24 -0.07 -4.72 118.33 111.15 3hrx n VAL 147 Ca -0.11 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3hrx n VAL 147 Cb 0.89 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.30 3hrx n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrx n GLY 148 N 0.57 1.12 0.29 7.63 0.00 0.87 -4.44 105.19 111.22 3hrx n GLY 148 Ca 0.01 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3hrx n GLY 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 149 N 0.00 0.88 -0.07 0.99 5.85 -1.90 -1.34 115.31 119.73 3hrx h LEU 149 Ca 0.00 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3hrx h LEU 149 Cb 0.00 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3hrx h LEU 149 CO 0.00 0.75 -0.20 0.00 -0.34 0.00 0.00 178.44 178.65 3hrx h ALA 150 N 1.17 -0.19 -0.28 1.25 0.00 -1.94 0.11 119.26 119.37 3hrx h ALA 150 Ca 0.24 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3hrx h ALA 150 Cb 0.08 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hrx h ALA 150 CO -0.03 -0.67 -0.38 0.87 0.00 0.00 0.00 179.25 179.03 3hrx h LYS 151 N -0.28 0.65 -0.64 0.00 1.79 -1.76 -2.91 116.57 113.43 3hrx h LYS 151 Ca 0.08 -0.33 0.02 0.00 -2.18 0.00 0.00 60.65 58.25 3hrx h LYS 151 Cb 0.39 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 3hrx h LYS 151 CO -0.23 0.93 0.41 0.00 -1.08 0.00 0.00 179.45 179.47 3hrx h ALA 152 N 1.04 0.83 -0.14 3.86 0.00 -0.78 0.90 119.26 124.97 3hrx h ALA 152 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hrx h ALA 152 Cb 0.90 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3hrx h ALA 152 CO 0.08 0.18 -0.06 1.96 0.00 0.00 0.00 179.25 181.41 3hrx h GLN 153 N 0.81 -0.04 -0.05 0.00 4.20 -0.87 -0.50 115.11 118.65 3hrx h GLN 153 Ca 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3hrx h GLN 153 Cb -0.01 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hrx h GLN 153 CO -0.09 -0.03 0.02 1.49 -0.67 0.00 0.00 178.83 179.55 3hrx h GLU 154 N -0.04 0.08 -0.76 1.46 4.81 -1.27 -0.82 114.58 118.03 3hrx h GLU 154 Ca 0.08 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3hrx h GLU 154 Cb 0.16 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3hrx h GLU 154 CO -0.17 0.24 0.41 -0.07 -0.73 0.00 0.00 179.01 178.69 3hrx h LEU 155 N -0.10 0.95 0.13 1.64 4.07 -0.69 -0.91 115.31 120.40 3hrx h LEU 155 Ca 0.02 -0.08 -0.23 0.00 0.08 0.00 0.00 57.88 57.67 3hrx h LEU 155 Cb 0.19 -0.24 0.02 0.00 1.08 0.00 0.00 40.66 41.72 3hrx h LEU 155 CO -0.00 0.77 -0.96 -0.07 -1.08 0.00 0.00 178.44 177.09 3hrx h LEU 156 N 1.07 0.63 -0.03 1.67 3.38 -1.05 -1.52 115.31 119.46 3hrx h LEU 156 Ca 0.27 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 57.10 3hrx h LEU 156 Cb 0.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hrx h LEU 156 CO -0.04 1.45 -1.09 -0.07 0.09 0.00 0.00 178.44 178.78 3hrx h LEU 157 N -0.10 0.64 0.00 1.67 3.38 -1.14 -3.35 115.31 116.41 3hrx h LEU 157 Ca -0.16 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3hrx h LEU 157 Cb 1.71 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3hrx h LEU 157 CO 0.18 1.38 -1.53 0.18 0.09 0.00 0.00 178.44 178.75 3hrx n LEU 158 N -3.73 0.44 -3.99 1.67 4.77 -0.35 -5.00 117.00 110.81 3hrx n LEU 158 Ca -0.09 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.37 3hrx n LEU 158 Cb 0.92 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.99 3hrx n LEU 158 CO 0.54 0.09 -0.22 -0.24 -1.33 0.00 0.00 177.39 176.23 3hrx n SER 159 N -1.96 -2.36 -4.80 -1.43 2.88 -0.57 -4.95 113.62 100.42 3hrx n SER 159 Ca -0.00 -1.14 -0.31 0.00 -1.33 0.00 0.00 58.87 56.09 3hrx n SER 159 Cb 0.47 -2.48 0.07 0.00 -0.75 0.00 0.00 64.21 61.52 3hrx n SER 159 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hrx s PRO 160 N -6.81 2.47 -0.49 -1.46 0.04 -1.26 -4.74 135.00 122.75 3hrx s PRO 160 Ca 0.26 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 3hrx s PRO 160 Cb -0.12 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3hrx s PRO 160 CO 0.93 -1.41 0.66 0.50 0.04 0.00 0.00 177.00 177.72 3hrx s ARG 161 N -5.06 3.19 0.06 4.56 3.52 -1.26 -4.45 118.95 119.51 3hrx s ARG 161 Ca 0.60 -0.67 -0.24 0.00 -0.13 0.00 0.00 55.73 55.28 3hrx s ARG 161 Cb -0.15 -4.05 -0.06 0.00 -1.56 0.00 0.00 34.95 29.14 3hrx s ARG 161 CO 0.55 -1.17 0.73 -0.51 -0.81 0.00 0.00 175.30 174.09 3hrx s LEU 162 N 2.80 4.48 0.81 -0.88 1.43 0.14 -4.90 118.68 122.57 3hrx s LEU 162 Ca 0.19 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 3hrx s LEU 162 Cb -0.17 -3.18 0.08 0.00 0.03 0.00 0.00 46.19 42.95 3hrx s LEU 162 CO 0.15 0.08 1.16 -0.94 0.23 0.00 0.00 176.35 177.02 3hrx s SER 163 N -0.35 4.44 0.24 2.29 1.04 -1.26 -0.90 113.70 119.20 3hrx s SER 163 Ca 0.36 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.63 3hrx s SER 163 Cb -0.21 -1.45 0.24 0.00 0.10 0.00 0.00 66.02 64.70 3hrx s SER 163 CO 0.23 -1.96 1.79 0.00 0.98 0.00 0.00 173.24 174.28 3hrx h ALA 164 N -1.09 1.10 -0.67 5.32 0.00 -1.72 -0.85 119.26 121.34 3hrx h ALA 164 Ca -0.47 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3hrx h ALA 164 Cb 1.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3hrx h ALA 164 CO 0.65 0.63 0.13 0.93 0.00 0.00 0.00 179.25 181.58 3hrx h GLU 165 N 1.05 1.10 -0.52 0.00 3.07 -1.93 -0.87 114.58 116.50 3hrx h GLU 165 Ca 0.24 -0.29 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 3hrx h GLU 165 Cb 0.24 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3hrx h GLU 165 CO -0.02 1.00 -0.12 0.93 -1.40 0.00 0.00 179.01 179.40 3hrx h GLU 166 N 1.03 1.00 -0.85 2.33 5.08 -1.85 -2.38 114.58 118.95 3hrx h GLU 166 Ca 0.21 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3hrx h GLU 166 Cb 0.42 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3hrx h GLU 166 CO 0.01 1.07 0.49 0.00 -1.00 0.00 0.00 179.01 179.58 3hrx h ALA 167 N 0.91 1.28 -0.49 3.43 0.00 -0.85 -1.60 119.26 121.94 3hrx h ALA 167 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hrx h ALA 167 Cb 0.69 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hrx h ALA 167 CO 0.05 0.61 0.23 1.25 0.00 0.00 0.00 179.25 181.39 3hrx h LEU 168 N 1.17 0.65 -0.99 0.00 5.85 -0.90 -0.16 115.31 120.94 3hrx h LEU 168 Ca 0.30 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3hrx h LEU 168 Cb -0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3hrx h LEU 168 CO -0.05 0.61 0.38 0.00 -0.34 0.00 0.00 178.44 179.03 3hrx h ALA 169 N 1.07 1.21 0.00 1.25 0.00 -0.90 -2.85 119.26 119.05 3hrx h ALA 169 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hrx h ALA 169 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hrx h ALA 169 CO -0.02 0.61 -0.32 -0.07 0.00 0.00 0.00 179.25 179.44 3hrx h LEU 170 N 1.09 0.00 0.00 0.00 3.38 -1.01 -3.47 115.31 115.30 3hrx h LEU 170 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3hrx h LEU 170 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hrx h LEU 170 CO -0.04 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3hrx n GLY 171 N 0.82 0.84 0.22 0.83 0.00 -0.48 -4.44 105.19 102.99 3hrx n GLY 171 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3hrx n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hrx h LEU 172 N 0.00 0.04 -8.34 0.99 3.38 -1.33 -3.43 115.31 106.61 3hrx h LEU 172 Ca 0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3hrx h LEU 172 Cb 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 40.57 3hrx h LEU 172 CO 0.00 0.25 -0.70 0.68 0.09 0.00 0.00 178.44 178.76 3hrx s VAL 173 N -4.59 0.59 -0.27 1.22 -7.23 -1.21 -4.88 120.40 104.04 3hrx s VAL 173 Ca -0.04 -1.70 0.22 0.00 -1.81 0.00 0.00 61.98 58.65 3hrx s VAL 173 Cb 0.15 -1.38 -0.19 0.00 0.56 0.00 0.00 36.38 35.52 3hrx s VAL 173 CO 0.71 -0.77 0.78 1.41 -0.31 0.00 0.00 175.10 176.92 3hrx n HIS 174 N 0.36 0.33 -3.64 2.82 8.25 0.20 -4.48 115.22 119.07 3hrx n HIS 174 Ca -0.15 0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 3hrx n HIS 174 Cb 0.59 -0.59 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 3hrx n HIS 174 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hrx s ARG 175 N -3.38 0.88 -0.08 -0.41 0.52 -1.11 -5.04 118.95 110.34 3hrx s ARG 175 Ca -0.02 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 3hrx s ARG 175 Cb 0.13 0.40 0.01 0.00 0.52 0.00 0.00 34.95 36.01 3hrx s ARG 175 CO 0.85 -0.27 -0.17 0.08 0.02 0.00 0.00 175.30 175.80 3hrx s VAL 176 N -1.55 1.52 0.08 3.52 1.01 -1.26 -1.06 120.40 122.66 3hrx s VAL 176 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hrx s VAL 176 Cb -0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3hrx s VAL 176 CO 0.05 0.44 -0.04 0.68 0.00 0.00 0.00 175.10 176.23 3hrx s VAL 177 N 0.50 0.44 0.34 2.92 -7.23 -0.57 -4.96 120.40 111.84 3hrx s VAL 177 Ca -0.16 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 57.86 3hrx s VAL 177 Cb -0.17 -1.64 -0.13 0.00 0.56 0.00 0.00 36.38 35.01 3hrx s VAL 177 CO 0.06 -0.90 1.12 -2.65 -0.31 0.00 0.00 175.10 172.41 3hrx n PRO 178 N 0.02 1.64 -0.33 4.82 -0.02 -1.26 -0.69 135.00 139.18 3hrx n PRO 178 Ca -0.13 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3hrx n PRO 178 Cb 0.61 -2.07 0.28 0.00 -0.02 0.00 0.00 33.50 32.31 3hrx n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrx h ALA 179 N 2.10 1.52 0.00 3.55 0.00 -1.90 0.65 119.26 125.18 3hrx h ALA 179 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hrx h ALA 179 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hrx h ALA 179 CO 0.60 -0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.95 3hrx n GLU 180 N -4.80 0.17 0.00 0.00 0.00 -1.26 -2.90 120.64 111.84 3hrx n GLU 180 Ca 0.21 0.14 0.02 0.00 0.00 0.00 0.00 57.16 57.52 3hrx n GLU 180 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.46 3hrx n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hrx n LYS 181 N -1.36 1.71 0.05 3.44 5.02 0.14 -4.79 118.16 122.35 3hrx n LYS 181 Ca 0.07 -0.46 -0.12 0.00 -2.02 0.00 0.00 58.31 55.78 3hrx n LYS 181 Cb 0.17 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3hrx n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hrx h LEU 182 N 0.44 -1.14 -1.26 -0.35 5.85 -1.20 -0.28 115.31 117.36 3hrx h LEU 182 Ca 0.00 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3hrx h LEU 182 Cb 0.12 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3hrx h LEU 182 CO 0.00 -0.42 -0.08 0.24 -0.34 0.00 0.00 178.44 177.84 3hrx h MET 183 N -0.52 0.41 -0.27 1.25 2.86 -1.87 0.11 114.93 116.90 3hrx h MET 183 Ca 0.06 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3hrx h MET 183 Cb 0.61 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3hrx h MET 183 CO -0.31 0.50 0.04 1.49 1.06 0.00 0.00 176.91 179.69 3hrx h GLU 184 N 0.39 0.44 -0.19 1.72 4.81 -1.77 -0.02 114.58 119.97 3hrx h GLU 184 Ca 0.08 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3hrx h GLU 184 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3hrx h GLU 184 CO 0.02 0.56 -0.01 0.93 -0.73 0.00 0.00 179.01 179.78 3hrx h GLU 185 N 0.26 0.34 -0.53 1.92 4.39 -0.74 -1.38 114.58 118.84 3hrx h GLU 185 Ca 0.08 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3hrx h GLU 185 Cb 0.33 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3hrx h GLU 185 CO 0.01 0.57 0.26 0.00 -1.16 0.00 0.00 179.01 178.69 3hrx h ALA 186 N 0.76 0.68 -0.43 3.43 0.00 -0.76 -1.37 119.26 121.58 3hrx h ALA 186 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hrx h ALA 186 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hrx h ALA 186 CO 0.01 0.24 -0.13 1.25 0.00 0.00 0.00 179.25 180.62 3hrx h LEU 187 N 0.71 0.77 -0.46 0.00 5.85 -0.99 0.11 115.31 121.31 3hrx h LEU 187 Ca 0.18 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hrx h LEU 187 Cb 0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hrx h LEU 187 CO -0.02 0.92 0.26 -1.28 -0.34 0.00 0.00 178.44 177.97 3hrx h SER 188 N 0.70 0.57 -0.25 1.25 0.87 -0.93 0.97 113.55 116.74 3hrx h SER 188 Ca 0.12 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3hrx h SER 188 Cb 0.61 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3hrx h SER 188 CO 0.04 0.49 0.07 0.25 -0.53 0.00 0.00 176.83 177.15 3hrx h LEU 189 N 0.61 0.37 -0.65 2.23 5.85 -0.98 -2.12 115.31 120.61 3hrx h LEU 189 Ca 0.16 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hrx h LEU 189 Cb 0.04 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3hrx h LEU 189 CO -0.03 0.49 0.40 0.00 -0.34 0.00 0.00 178.44 178.97 3hrx h ALA 190 N 0.89 0.85 -0.47 1.25 0.00 -0.70 -1.08 119.26 120.00 3hrx h ALA 190 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hrx h ALA 190 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hrx h ALA 190 CO -0.00 0.15 0.10 0.87 0.00 0.00 0.00 179.25 180.37 3hrx h LYS 191 N 0.79 0.71 -0.29 0.00 1.57 -0.69 0.48 116.57 119.14 3hrx h LYS 191 Ca 0.26 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3hrx h LYS 191 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hrx h LYS 191 CO -0.11 0.66 0.06 0.93 -0.57 0.00 0.00 179.45 180.42 3hrx h GLU 192 N 0.69 0.46 -0.39 3.15 5.08 -0.68 -2.66 114.58 120.23 3hrx h GLU 192 Ca 0.15 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hrx h GLU 192 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3hrx h GLU 192 CO -0.00 0.55 0.12 -0.07 -1.00 0.00 0.00 179.01 178.61 3hrx h LEU 193 N 0.30 0.52 0.00 1.33 3.38 -0.71 -1.61 115.31 118.51 3hrx h LEU 193 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hrx h LEU 193 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hrx h LEU 193 CO 0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3hrx n ALA 194 N -2.47 1.61 0.84 1.53 0.00 0.12 -1.00 120.51 121.14 3hrx n ALA 194 Ca 0.02 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3hrx n ALA 194 Cb 0.17 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 3hrx n ALA 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hrx n GLN 195 N -1.45 1.34 -2.10 0.00 1.13 -0.62 -4.76 117.38 110.92 3hrx n GLN 195 Ca 0.04 -0.56 -0.28 0.00 -1.94 0.00 0.00 57.00 54.25 3hrx n GLN 195 Cb 0.14 -1.36 0.18 0.00 0.11 0.00 0.00 30.24 29.32 3hrx n GLN 195 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hrx n GLY 196 N 1.33 -0.94 3.58 1.08 0.00 -0.17 -4.17 105.19 105.90 3hrx n GLY 196 Ca 0.06 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 3hrx n GLY 196 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hrx s PRO 197 N -5.73 3.23 0.36 1.61 0.04 -1.26 -4.37 135.00 128.88 3hrx s PRO 197 Ca 0.74 -1.54 0.16 0.00 0.04 0.00 0.00 61.00 60.40 3hrx s PRO 197 Cb -0.02 -5.38 1.08 0.00 0.04 0.00 0.00 34.50 30.21 3hrx s PRO 197 CO 0.51 -3.10 1.70 1.15 0.04 0.00 0.00 177.00 177.30 3hrx h THR 198 N 5.94 0.39 -0.36 1.26 2.02 -1.86 0.12 112.91 120.41 3hrx h THR 198 Ca 0.32 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 3hrx h THR 198 Cb 0.91 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3hrx h THR 198 CO 1.34 0.07 -0.29 0.03 0.37 0.00 0.00 175.52 177.05 3hrx h ARG 199 N 0.38 0.76 -0.58 6.66 2.47 -1.87 -0.25 114.38 121.96 3hrx h ARG 199 Ca 0.69 -0.34 -0.07 0.00 -1.26 0.00 0.00 59.98 59.00 3hrx h ARG 199 Cb 1.62 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.90 3hrx h ARG 199 CO -0.48 0.95 0.09 0.00 0.56 0.00 0.00 179.97 181.10 3hrx h ALA 200 N 1.03 0.77 -0.00 0.04 0.00 -1.21 -0.92 119.26 118.97 3hrx h ALA 200 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hrx h ALA 200 Cb 0.81 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hrx h ALA 200 CO 0.07 0.52 0.00 1.88 0.00 0.00 0.00 179.25 181.72 3hrx h TYR 201 N 0.86 0.00 -0.23 0.00 0.99 -1.14 -0.80 116.97 116.66 3hrx h TYR 201 Ca 0.18 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.95 3hrx h TYR 201 Cb 0.42 -0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.10 3hrx h TYR 201 CO 0.03 0.09 -0.08 0.00 -0.00 0.00 0.00 178.16 178.20 3hrx h ALA 202 N 0.92 0.13 -0.01 3.88 0.00 -0.80 -1.08 119.26 122.30 3hrx h ALA 202 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hrx h ALA 202 Cb 0.08 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hrx h ALA 202 CO -0.00 -0.49 -0.50 -0.07 0.00 0.00 0.00 179.25 178.19 3hrx h LEU 203 N -0.03 0.02 -0.49 0.00 3.38 -1.11 -2.26 115.31 114.82 3hrx h LEU 203 Ca 0.11 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 203 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hrx h LEU 203 CO -0.25 0.52 -0.32 0.74 0.09 0.00 0.00 178.44 179.22 3hrx h THR 204 N 0.02 1.27 -0.51 0.22 2.02 -0.74 -2.15 112.91 113.04 3hrx h THR 204 Ca -0.00 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.64 3hrx h THR 204 Cb 0.89 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3hrx h THR 204 CO 0.07 0.50 0.10 0.11 0.37 0.00 0.00 175.52 176.66 3hrx h LYS 205 N 0.76 0.79 -0.58 6.66 1.57 -0.95 -1.73 116.57 123.09 3hrx h LYS 205 Ca 0.08 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3hrx h LYS 205 Cb 0.89 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3hrx h LYS 205 CO 0.08 0.73 0.24 -0.22 -0.57 0.00 0.00 179.45 179.71 3hrx h LYS 206 N 0.76 0.86 -0.55 3.15 3.64 -1.11 -2.22 116.57 121.09 3hrx h LYS 206 Ca 0.17 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3hrx h LYS 206 Cb 0.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3hrx h LYS 206 CO 0.00 0.73 0.14 -0.07 -2.27 0.00 0.00 179.45 177.98 3hrx h LEU 207 N 0.79 0.82 -1.08 5.20 3.38 -0.93 -3.01 115.31 120.48 3hrx h LEU 207 Ca 0.19 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hrx h LEU 207 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3hrx h LEU 207 CO -0.02 0.84 0.20 -0.07 0.09 0.00 0.00 178.44 179.48 3hrx h LEU 208 N 0.77 0.78 -1.82 1.67 3.38 -1.13 -1.43 115.31 117.53 3hrx h LEU 208 Ca 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hrx h LEU 208 Cb 0.33 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hrx h LEU 208 CO 0.00 0.73 -0.14 0.25 0.09 0.00 0.00 178.44 179.37 3hrx h LEU 209 N 0.83 0.00 -0.48 1.67 5.85 -1.27 -2.94 115.31 118.98 3hrx h LEU 209 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hrx h LEU 209 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hrx h LEU 209 CO -0.01 0.14 -0.51 -0.62 -0.34 0.00 0.00 178.44 177.09 3hrx n GLU 210 N -3.67 1.80 -0.28 1.25 -0.58 -1.01 -4.75 120.64 113.40 3hrx n GLU 210 Ca -0.02 -0.44 0.08 0.00 -0.42 0.00 0.00 57.16 56.37 3hrx n GLU 210 Cb 0.26 -1.25 0.20 0.00 -0.57 0.00 0.00 31.44 30.08 3hrx n GLU 210 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hrx h THR 211 N 0.97 0.26 0.00 2.62 1.03 -1.08 -2.72 112.91 113.99 3hrx h THR 211 Ca 0.00 -0.03 -0.18 0.00 -0.01 0.00 0.00 66.41 66.19 3hrx h THR 211 Cb 0.46 0.15 -0.02 0.00 -1.07 0.00 0.00 68.15 67.67 3hrx h THR 211 CO 0.00 0.02 -0.85 1.88 -0.01 0.00 0.00 175.52 176.56 3hrx h TYR 212 N 0.10 0.03 0.00 0.00 -1.99 -1.85 -3.32 116.97 109.93 3hrx h TYR 212 Ca 0.47 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.19 3hrx h TYR 212 Cb 0.89 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 3hrx h TYR 212 CO -0.43 0.86 -0.33 2.89 -0.00 0.00 0.00 178.16 181.15 3hrx n ARG 213 N -3.54 0.24 -3.38 4.88 1.85 -1.04 -4.89 116.66 110.77 3hrx n ARG 213 Ca -0.01 0.12 -0.31 0.00 -1.00 0.00 0.00 57.85 56.65 3hrx n ARG 213 Cb 0.81 -1.70 -0.05 0.00 -1.05 0.00 0.00 32.46 30.47 3hrx n ARG 213 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hrx s LEU 214 N -4.15 4.13 0.71 2.89 1.43 -1.13 -5.08 118.68 117.48 3hrx s LEU 214 Ca 0.09 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3hrx s LEU 214 Cb 0.14 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.73 3hrx s LEU 214 CO 0.66 -0.11 1.09 -0.94 0.23 0.00 0.00 176.35 177.27 3hrx s SER 215 N -2.60 5.41 0.20 2.29 1.04 -1.26 -4.82 113.70 113.97 3hrx s SER 215 Ca 0.46 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.99 3hrx s SER 215 Cb -0.11 -2.03 0.22 0.00 0.10 0.00 0.00 66.02 64.21 3hrx s SER 215 CO 0.24 -1.37 1.78 0.25 0.98 0.00 0.00 173.24 175.12 3hrx h LEU 216 N -0.67 0.40 -0.66 2.42 5.85 -1.98 -0.17 115.31 120.50 3hrx h LEU 216 Ca -0.45 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.35 3hrx h LEU 216 Cb 1.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3hrx h LEU 216 CO 0.63 0.26 0.40 0.74 -0.34 0.00 0.00 178.44 180.13 3hrx h THR 217 N 0.55 1.07 -0.50 1.05 2.02 -1.99 0.70 112.91 115.81 3hrx h THR 217 Ca 0.28 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3hrx h THR 217 Cb 0.23 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3hrx h THR 217 CO -0.21 0.14 -0.02 -0.33 0.37 0.00 0.00 175.52 175.47 3hrx h GLU 218 N 0.79 0.85 -0.37 6.66 5.08 -1.76 -1.62 114.58 124.20 3hrx h GLU 218 Ca 0.27 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3hrx h GLU 218 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hrx h GLU 218 CO -0.11 0.87 0.03 0.00 -1.00 0.00 0.00 179.01 178.80 3hrx h ALA 219 N 1.19 0.50 -0.52 3.43 0.00 -0.29 -0.95 119.26 122.62 3hrx h ALA 219 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hrx h ALA 219 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hrx h ALA 219 CO 0.03 0.24 0.16 -0.07 0.00 0.00 0.00 179.25 179.60 3hrx h LEU 220 N 0.47 0.71 -0.24 0.00 3.38 -0.71 0.50 115.31 119.42 3hrx h LEU 220 Ca 0.11 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hrx h LEU 220 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hrx h LEU 220 CO 0.01 0.68 -0.07 0.00 0.09 0.00 0.00 178.44 179.15 3hrx h ALA 221 N 1.42 0.33 -0.57 1.53 0.00 -1.04 -1.73 119.26 119.20 3hrx h ALA 221 Ca 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hrx h ALA 221 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hrx h ALA 221 CO -0.01 0.13 0.01 1.25 0.00 0.00 0.00 179.25 180.64 3hrx h LEU 222 N 0.19 0.95 -0.56 0.00 5.85 -0.82 -1.29 115.31 119.64 3hrx h LEU 222 Ca 0.06 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hrx h LEU 222 Cb 0.54 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3hrx h LEU 222 CO 0.03 1.00 0.37 -0.33 -0.34 0.00 0.00 178.44 179.16 3hrx h GLU 223 N 0.91 0.72 -0.53 1.25 5.08 -0.83 -0.51 114.58 120.67 3hrx h GLU 223 Ca 0.17 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3hrx h GLU 223 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3hrx h GLU 223 CO 0.02 0.48 0.23 0.00 -1.00 0.00 0.00 179.01 178.74 3hrx h ALA 224 N 1.21 0.68 -0.20 3.43 0.00 -0.94 0.91 119.26 124.34 3hrx h ALA 224 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hrx h ALA 224 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hrx h ALA 224 CO -0.05 0.27 0.10 0.28 0.00 0.00 0.00 179.25 179.86 3hrx h VAL 225 N 0.71 1.12 -0.05 0.00 2.07 -0.94 -1.39 116.25 117.77 3hrx h VAL 225 Ca 0.18 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3hrx h VAL 225 Cb 0.17 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hrx h VAL 225 CO -0.02 0.12 -0.52 -0.07 0.02 0.00 0.00 177.57 177.11 3hrx h LEU 226 N 0.21 0.15 -0.90 2.57 3.38 -0.95 -2.56 115.31 117.20 3hrx h LEU 226 Ca 0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3hrx h LEU 226 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hrx h LEU 226 CO -0.01 0.64 -0.48 -0.61 0.09 0.00 0.00 178.44 178.07 3hrx h GLN 227 N 0.11 0.17 -0.85 1.13 5.75 -0.68 0.88 115.11 121.61 3hrx h GLN 227 Ca 0.00 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3hrx h GLN 227 Cb 0.95 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 3hrx h GLN 227 CO 0.07 0.61 0.41 0.78 -2.65 0.00 0.00 178.83 178.06 3hrx h GLY 228 N 1.36 1.32 0.54 2.39 0.00 -0.86 0.20 103.07 108.01 3hrx h GLY 228 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3hrx h GLY 228 CO 0.07 0.62 -0.06 1.46 0.00 0.00 0.00 176.54 178.64 3hrx h GLN 229 N 1.22 -0.15 -0.99 4.80 1.08 -1.09 -3.18 115.11 116.80 3hrx h GLN 229 Ca 0.29 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.55 3hrx h GLN 229 Cb 0.12 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 3hrx h GLN 229 CO -0.04 0.26 0.65 0.00 -0.95 0.00 0.00 178.83 178.75 3hrx h ALA 230 N 0.16 1.39 0.00 3.87 0.00 -0.69 -1.68 119.26 122.30 3hrx h ALA 230 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hrx h ALA 230 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hrx h ALA 230 CO 0.03 0.49 0.00 0.78 0.00 0.00 0.00 179.25 180.55 3hrx h GLY 231 N 1.21 0.00 0.28 0.00 0.00 -0.61 -1.98 103.07 101.95 3hrx h GLY 231 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3hrx h GLY 231 CO -0.14 0.00 -0.44 -1.06 0.00 0.00 0.00 176.54 174.90 3hrx n GLN 232 N -3.00 0.55 -1.82 4.80 6.02 -0.64 -4.75 117.38 118.54 3hrx n GLN 232 Ca -0.02 -0.36 -0.33 0.00 -0.01 0.00 0.00 57.00 56.28 3hrx n GLN 232 Cb 0.13 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 29.94 3hrx n GLN 232 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3hrx s THR 233 N -2.70 3.20 0.24 5.09 -4.23 -0.75 -4.93 115.64 111.56 3hrx s THR 233 Ca 0.18 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 3hrx s THR 233 Cb 0.18 -3.11 0.12 0.00 1.34 0.00 0.00 72.50 71.03 3hrx s THR 233 CO 0.62 -0.32 1.76 0.06 -0.54 0.00 0.00 174.62 176.20 3hrx h GLN 234 N 0.19 0.93 -0.91 3.99 -0.00 -1.77 -2.78 115.11 114.76 3hrx h GLN 234 Ca -0.47 -0.23 0.05 0.00 -0.00 0.00 0.00 58.65 58.00 3hrx h GLN 234 Cb 1.25 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.48 28.55 3hrx h GLN 234 CO 0.54 0.87 0.58 -0.44 -0.00 0.00 0.00 178.83 180.38 3hrx h ASP 235 N 0.88 0.95 -0.53 0.06 3.45 -0.95 -0.56 116.42 119.73 3hrx h ASP 235 Ca 0.18 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 3hrx h ASP 235 Cb 0.39 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3hrx h ASP 235 CO 0.01 0.64 0.13 -0.74 -1.57 0.00 0.00 179.24 177.70 3hrx h HIS 236 N 1.11 0.89 -0.48 4.55 2.76 -1.73 0.30 115.15 122.56 3hrx h HIS 236 Ca 0.38 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 3hrx h HIS 236 Cb 0.07 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 3hrx h HIS 236 CO -0.02 0.78 0.24 0.93 -1.30 0.00 0.00 177.93 178.56 3hrx h GLU 237 N 0.74 0.46 -0.61 5.26 3.07 -1.23 -1.12 114.58 121.15 3hrx h GLU 237 Ca 0.17 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 3hrx h GLU 237 Cb 0.34 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3hrx h GLU 237 CO 0.00 0.31 0.09 1.49 -1.40 0.00 0.00 179.01 179.49 3hrx h GLU 238 N 0.48 1.02 -0.88 2.33 4.57 -0.77 -1.10 114.58 120.23 3hrx h GLU 238 Ca 0.21 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3hrx h GLU 238 Cb 0.11 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3hrx h GLU 238 CO -0.14 0.96 0.57 0.78 -1.18 0.00 0.00 179.01 180.00 3hrx h GLY 239 N 0.92 1.26 1.29 1.92 0.00 0.28 0.25 103.07 109.00 3hrx h GLY 239 Ca 0.18 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 3hrx h GLY 239 CO 0.01 0.40 -0.80 -2.08 0.00 0.00 0.00 176.54 174.07 3hrx h VAL 240 N 1.13 1.30 -0.35 4.60 2.07 -1.06 -2.24 116.25 121.70 3hrx h VAL 240 Ca 0.34 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 3hrx h VAL 240 Cb -0.04 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3hrx h VAL 240 CO -0.10 0.64 0.10 0.03 0.02 0.00 0.00 177.57 178.26 3hrx h ARG 241 N 0.46 0.55 -0.56 1.57 -0.00 -0.79 -1.39 114.38 114.22 3hrx h ARG 241 Ca -0.06 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.98 59.25 3hrx h ARG 241 Cb 1.42 -0.08 -0.03 0.00 0.00 0.00 0.00 29.97 31.29 3hrx h ARG 241 CO 0.16 0.59 0.16 0.00 0.00 0.00 0.00 179.97 180.88 3hrx h ALA 242 N 0.94 1.22 0.10 0.04 0.00 -0.53 0.53 119.26 121.57 3hrx h ALA 242 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hrx h ALA 242 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hrx h ALA 242 CO -0.00 0.54 -0.05 0.35 0.00 0.00 0.00 179.25 180.09 3hrx h PHE 243 N 0.83 -0.13 -0.23 0.00 3.57 -1.14 0.13 116.94 119.97 3hrx h PHE 243 Ca 0.19 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3hrx h PHE 243 Cb 0.27 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3hrx h PHE 243 CO 0.02 0.14 -0.03 0.00 -2.23 0.00 0.00 178.31 176.20 3hrx h ARG 244 N -0.39 0.34 -0.51 1.11 3.08 -1.08 -1.68 114.38 115.25 3hrx h ARG 244 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hrx h ARG 244 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hrx h ARG 244 CO 0.02 0.40 0.00 0.39 -1.07 0.00 0.00 179.97 179.71 3hrx n GLU 245 N -4.32 2.22 -4.26 0.04 1.02 0.16 -4.92 120.64 110.58 3hrx n GLU 245 Ca 0.00 -1.42 -0.31 0.00 -0.02 0.00 0.00 57.16 55.40 3hrx n GLU 245 Cb 0.22 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 3hrx n GLU 245 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hrx n LYS 246 N 0.51 -1.58 -4.15 3.49 -0.00 -0.63 -4.94 118.16 110.85 3hrx n LYS 246 Ca 0.13 0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 58.53 3hrx n LYS 246 Cb 0.45 -4.02 -0.10 0.00 -0.00 0.00 0.00 35.03 31.36 3hrx n LYS 246 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hrx s ARG 247 N -7.16 0.87 0.32 -1.58 1.70 0.37 -5.04 118.95 108.45 3hrx s ARG 247 Ca 0.14 -1.40 -0.28 0.00 -0.47 0.00 0.00 55.73 53.73 3hrx s ARG 247 Cb -0.08 0.13 -0.09 0.00 -0.57 0.00 0.00 34.95 34.33 3hrx s ARG 247 CO 0.97 -0.19 1.12 -1.25 -1.08 0.00 0.00 175.30 174.87 3hrx s PRO 248 N -3.98 4.45 0.54 3.89 0.04 -1.26 -4.23 135.00 134.45 3hrx s PRO 248 Ca 0.19 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3hrx s PRO 248 Cb 0.07 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 3hrx s PRO 248 CO -0.01 0.04 1.01 -1.25 0.04 0.00 0.00 177.00 176.83 3hrx s PRO 249 N -1.78 3.74 -0.67 0.56 0.04 -1.26 -4.91 135.00 130.71 3hrx s PRO 249 Ca 0.49 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.61 3hrx s PRO 249 Cb -0.31 -2.10 0.16 0.00 0.04 0.00 0.00 34.50 32.30 3hrx s PRO 249 CO 0.39 -0.45 0.45 1.03 0.04 0.00 0.00 177.00 178.47 3hrx s ARG 250 N -4.10 2.35 0.46 4.56 0.52 -1.26 -5.09 118.95 116.38 3hrx s ARG 250 Ca 0.60 -3.21 -0.23 0.00 -0.52 0.00 0.00 55.73 52.38 3hrx s ARG 250 Cb -0.12 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 3hrx s ARG 250 CO 0.34 -1.26 1.13 -0.06 0.02 0.00 0.00 175.30 175.47 3hrx s PHE 251 N -1.24 2.93 -0.03 -0.53 2.99 -1.26 -4.97 117.98 115.87 3hrx s PHE 251 Ca 0.24 1.56 0.00 0.00 0.00 0.00 0.00 56.93 58.73 3hrx s PHE 251 Cb -0.08 -3.31 -0.00 0.00 0.00 0.00 0.00 43.02 39.63 3hrx s PHE 251 CO -0.14 -1.32 0.05 1.04 -0.00 0.00 0.00 175.22 174.85 3hrx n GLN 252 N -0.53 6.39 -0.92 0.44 1.13 -1.26 -4.83 117.38 117.79 3hrx n GLN 252 Ca 0.07 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3hrx n GLN 252 Cb 0.49 -0.55 0.00 0.00 0.11 0.00 0.00 30.24 30.29 3hrx n GLN 252 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hrx n GLY 253 N 0.95 0.97 0.00 1.08 0.00 -1.26 -4.95 105.19 101.99 3hrx n GLY 253 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3hrx n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36