#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lml h ASN 21 N 0.00 0.00 0.10 3.42 2.35 -2.03 0.17 115.58 119.60 3lml h ASN 21 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3lml h ASN 21 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3lml h ASN 21 CO 0.00 0.63 -0.05 -0.26 -1.65 0.00 0.00 177.43 176.10 3lml h PHE 22 N 0.00 -0.13 -0.13 1.19 -1.00 -2.00 -3.17 116.94 111.70 3lml h PHE 22 Ca -0.01 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 3lml h PHE 22 Cb 1.32 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.91 3lml h PHE 22 CO 0.00 0.37 -0.07 0.87 -1.61 0.00 0.00 178.31 177.87 3lml h LYS 23 N -0.88 0.19 -0.33 1.51 1.57 -1.87 -2.61 116.57 114.15 3lml h LYS 23 Ca -0.01 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3lml h LYS 23 Cb 0.56 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 3lml h LYS 23 CO 0.02 0.27 -0.04 0.00 -0.57 0.00 0.00 179.45 179.14 3lml h ALA 24 N 1.75 0.26 -0.63 3.86 0.00 -0.68 -2.03 119.26 121.79 3lml h ALA 24 Ca 0.04 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3lml h ALA 24 Cb 0.25 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 3lml h ALA 24 CO 0.01 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.98 3lml h ALA 25 N 1.30 0.77 0.00 0.00 0.00 -1.44 0.20 119.26 120.10 3lml h ALA 25 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3lml h ALA 25 Cb 0.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3lml h ALA 25 CO -0.30 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.66 3lml n ALA 26 N -2.59 1.34 -0.00 0.00 0.00 -0.81 -1.68 120.51 116.77 3lml n ALA 26 Ca 0.10 0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 3lml n ALA 26 Cb 0.34 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 3lml n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lml h ALA 27 N 2.12 0.23 0.00 0.00 0.00 -0.17 -3.28 119.26 118.17 3lml h ALA 27 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 53.74 3lml h ALA 27 Cb 0.18 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3lml h ALA 27 CO 0.00 0.92 -0.04 1.49 0.00 0.00 0.00 179.25 181.61 3lml h GLU 28 N -0.28 0.00 0.01 0.00 4.57 -0.44 0.52 114.58 118.96 3lml h GLU 28 Ca -0.33 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.65 3lml h GLU 28 Cb 1.79 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.36 3lml h GLU 28 CO 0.04 0.04 -0.91 0.00 -1.18 0.00 0.00 179.01 177.01 3lml h ARG 29 N 0.00 0.11 -0.03 1.92 -0.00 -1.41 -3.34 114.38 111.63 3lml h ARG 29 Ca -0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 3lml h ARG 29 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.19 3lml h ARG 29 CO 0.01 0.94 0.00 0.25 0.00 0.00 0.00 179.97 181.17 3lml n THR 30 N -3.57 0.29 -1.90 2.04 -2.24 -0.79 -4.81 114.28 103.31 3lml n THR 30 Ca -0.03 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 3lml n THR 30 Cb 0.84 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3lml n THR 30 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3lml s LYS 31 N -0.45 4.19 0.50 -0.78 2.20 0.18 -4.97 119.74 120.62 3lml s LYS 31 Ca 0.04 2.39 -0.20 0.00 -0.36 0.00 0.00 55.97 57.84 3lml s LYS 31 Cb 0.02 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 3lml s LYS 31 CO 0.03 -0.70 1.04 0.00 -0.36 0.00 0.00 175.35 175.37 3lml s ALA 32 N 1.96 2.85 0.00 3.13 0.00 -1.26 -4.92 121.76 123.53 3lml s ALA 32 Ca 0.73 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3lml s ALA 32 Cb -0.43 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3lml s ALA 32 CO 0.32 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3lml n GLY 33 N -0.35 0.38 3.77 0.00 0.00 -1.26 -5.05 105.19 102.67 3lml n GLY 33 Ca 0.09 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 3lml n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3lml s GLU 34 N -0.20 3.78 0.13 1.61 -1.05 -1.26 -5.00 118.70 116.70 3lml s GLU 34 Ca 0.00 2.21 -0.26 0.00 -0.15 0.00 0.00 54.97 56.78 3lml s GLU 34 Cb 0.00 -2.65 0.07 0.00 -0.44 0.00 0.00 34.13 31.12 3lml s GLU 34 CO 0.00 -0.67 1.02 -0.98 0.95 0.00 0.00 175.26 175.58 3lml s ARG 35 N -2.41 1.08 0.00 -4.83 1.70 -1.26 -4.99 118.95 108.24 3lml s ARG 35 Ca 0.60 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 3lml s ARG 35 Cb -0.39 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 3lml s ARG 35 CO 0.50 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.63 3lml n GLY 36 N -0.49 0.84 2.77 3.88 0.00 -1.23 -2.08 105.19 108.89 3lml n GLY 36 Ca -0.06 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.33 3lml n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 37 N -1.06 -0.22 0.04 2.61 -1.32 -1.25 0.03 115.64 114.47 3lml s THR 37 Ca 0.00 0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.82 3lml s THR 37 Cb 0.00 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 3lml s THR 37 CO 0.00 0.09 -0.13 0.54 -2.21 0.00 0.00 174.62 172.90 3lml s VAL 38 N 2.26 3.15 -0.32 5.08 0.11 -0.30 -1.30 120.40 129.08 3lml s VAL 38 Ca 0.04 -1.06 -0.17 0.00 -2.93 0.00 0.00 61.98 57.85 3lml s VAL 38 Cb -0.13 -2.37 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 3lml s VAL 38 CO -0.06 0.33 0.48 0.00 -3.33 0.00 0.00 175.10 172.52 3lml s ALA 39 N -0.99 3.52 -0.08 1.54 0.00 -0.33 0.46 121.76 125.88 3lml s ALA 39 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3lml s ALA 39 Cb -0.11 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.10 3lml s ALA 39 CO 0.07 -1.02 -0.14 -1.17 0.00 0.00 0.00 175.76 173.50 3lml s LEU 40 N 2.30 1.69 -0.46 0.00 0.20 -0.86 -0.70 118.68 120.86 3lml s LEU 40 Ca 0.18 -0.35 -0.20 0.00 0.69 0.00 0.00 54.13 54.45 3lml s LEU 40 Cb -0.16 -0.94 0.03 0.00 -0.43 0.00 0.00 46.19 44.69 3lml s LEU 40 CO 0.12 0.04 0.62 -2.16 -0.29 0.00 0.00 176.35 174.67 3lml s PRO 41 N 0.73 3.22 0.52 0.98 0.04 -1.26 -1.58 135.00 137.64 3lml s PRO 41 Ca -0.13 -0.54 0.01 0.00 0.04 0.00 0.00 61.00 60.37 3lml s PRO 41 Cb -0.16 -3.99 -0.00 0.00 0.04 0.00 0.00 34.50 30.39 3lml s PRO 41 CO 0.03 -1.05 0.02 -0.51 0.04 0.00 0.00 177.00 175.53 3lml s LEU 42 N 2.71 2.24 -0.15 -3.56 1.43 -1.01 -4.86 118.68 115.49 3lml s LEU 42 Ca 0.20 -1.67 0.01 0.00 -1.03 0.00 0.00 54.13 51.64 3lml s LEU 42 Cb -0.16 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.35 3lml s LEU 42 CO 0.17 -0.91 -0.17 0.00 0.23 0.00 0.00 176.35 175.67 3lml s ALA 43 N -2.89 1.98 0.18 4.21 0.00 -1.26 -0.75 121.76 123.22 3lml s ALA 43 Ca 0.04 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3lml s ALA 43 Cb 0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3lml s ALA 43 CO 0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 175.76 175.29 3lml s ALA 44 N 1.26 2.34 -1.50 0.00 0.00 -1.26 -4.96 121.76 117.64 3lml s ALA 44 Ca 0.01 -1.56 0.08 0.00 0.00 0.00 0.00 51.96 50.48 3lml s ALA 44 Cb -0.14 -0.29 0.28 0.00 0.00 0.00 0.00 23.12 22.97 3lml s ALA 44 CO -0.08 0.39 1.13 0.43 0.00 0.00 0.00 175.76 177.62 3lml n SER 45 N 0.38 2.05 -3.61 0.00 7.64 -1.26 -4.74 113.62 114.09 3lml n SER 45 Ca -0.14 -2.14 -0.09 0.00 1.01 0.00 0.00 58.87 57.51 3lml n SER 45 Cb 0.56 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 3lml n SER 45 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3lml s TRP 46 N -1.64 -0.37 0.00 1.43 -0.11 -1.26 -2.90 118.94 114.09 3lml s TRP 46 Ca 0.20 0.77 0.00 0.00 1.22 0.00 0.00 56.10 58.29 3lml s TRP 46 Cb 0.12 0.42 0.00 0.00 -1.50 0.00 0.00 33.47 32.52 3lml s TRP 46 CO 0.10 -0.26 0.00 0.41 -4.62 0.00 0.00 176.95 172.58 3lml n GLY 47 N 1.34 3.55 0.46 5.86 0.00 -1.26 -4.76 105.19 110.38 3lml n GLY 47 Ca -0.11 -1.67 0.29 0.00 0.00 0.00 0.00 46.02 44.54 3lml n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml h ALA 48 N 0.00 2.63 -3.03 4.61 0.00 -1.88 -3.41 119.26 118.18 3lml h ALA 48 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3lml h ALA 48 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3lml h ALA 48 CO 0.00 -1.05 -0.53 0.00 0.00 0.00 0.00 179.25 177.67 3lml n ALA 49 N -2.59 -2.47 -1.25 0.00 0.00 -1.26 -4.62 120.51 108.33 3lml n ALA 49 Ca 0.27 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 3lml n ALA 49 Cb 1.09 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 3lml n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3lml n LYS 50 N 1.05 -0.85 -4.07 0.00 5.02 -1.06 -4.99 118.16 113.25 3lml n LYS 50 Ca 0.00 0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 56.96 3lml n LYS 50 Cb 0.00 -4.68 -0.10 0.00 -0.02 0.00 0.00 35.03 30.23 3lml n LYS 50 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3lml s GLU 51 N -2.50 0.57 0.62 1.97 2.02 -1.26 -4.98 118.70 115.13 3lml s GLU 51 Ca 0.00 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.81 3lml s GLU 51 Cb 0.00 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.36 3lml s GLU 51 CO 0.00 -0.09 0.97 -0.06 0.02 0.00 0.00 175.26 176.10 3lml s PHE 52 N -3.34 3.40 -0.08 1.61 0.08 -1.26 -2.81 117.98 115.59 3lml s PHE 52 Ca 0.02 0.92 -0.03 0.00 0.12 0.00 0.00 56.93 57.97 3lml s PHE 52 Cb 0.04 -2.77 0.04 0.00 -0.57 0.00 0.00 43.02 39.76 3lml s PHE 52 CO -0.07 -0.82 0.15 0.08 -0.10 0.00 0.00 175.22 174.45 3lml s VAL 53 N -3.10 -0.17 -0.15 -0.44 1.01 0.61 -4.96 120.40 113.20 3lml s VAL 53 Ca 0.54 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 3lml s VAL 53 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3lml s VAL 53 CO 0.49 0.12 0.55 -0.70 0.00 0.00 0.00 175.10 175.55 3lml s GLU 54 N 1.83 4.29 -0.04 2.72 2.12 -1.26 -1.37 118.70 126.99 3lml s GLU 54 Ca -0.02 0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.86 3lml s GLU 54 Cb -0.12 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.79 3lml s GLU 54 CO -0.06 -0.00 -0.08 0.96 -0.54 0.00 0.00 175.26 175.54 3lml s ILE 55 N 1.14 0.75 0.00 -3.70 -4.36 -0.81 -4.97 121.20 109.25 3lml s ILE 55 Ca 0.28 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 3lml s ILE 55 Cb -0.16 -0.70 0.00 0.00 1.25 0.00 0.00 42.46 42.86 3lml s ILE 55 CO 0.11 0.25 0.00 0.59 0.24 0.00 0.00 174.94 176.13 3lml n ASN 56 N 3.59 2.98 -4.32 4.36 3.02 -1.26 -1.98 115.26 121.65 3lml n ASN 56 Ca -0.21 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.07 3lml n ASN 56 Cb 0.53 0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.97 3lml n ASN 56 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3lml s LYS 57 N -1.45 1.32 0.27 3.52 3.01 -1.26 -4.94 119.74 120.21 3lml s LYS 57 Ca 0.00 -1.20 0.01 0.00 -1.01 0.00 0.00 55.97 53.77 3lml s LYS 57 Cb 0.00 -1.64 0.63 0.00 -1.01 0.00 0.00 37.83 35.81 3lml s LYS 57 CO 0.00 0.39 1.71 1.49 0.51 0.00 0.00 175.35 179.46 3lml h GLU 58 N 4.17 0.42 -0.91 1.68 4.81 -2.02 0.92 114.58 123.65 3lml h GLU 58 Ca -0.47 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.88 3lml h GLU 58 Cb 1.17 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 3lml h GLU 58 CO 0.40 0.28 0.59 1.05 -0.73 0.00 0.00 179.01 180.60 3lml h GLU 59 N 0.44 0.70 -0.76 1.92 9.09 -1.99 -1.08 114.58 122.89 3lml h GLU 59 Ca 0.51 -0.04 0.11 0.00 0.05 0.00 0.00 59.36 59.98 3lml h GLU 59 Cb 0.89 -0.16 -0.08 0.00 -1.65 0.00 0.00 28.75 27.75 3lml h GLU 59 CO -0.48 0.46 0.39 -0.44 0.05 0.00 0.00 179.01 178.99 3lml h ASP 60 N 0.72 0.50 0.20 3.06 3.45 -1.21 -1.36 116.42 121.79 3lml h ASP 60 Ca 0.46 0.07 0.01 0.00 0.43 0.00 0.00 57.03 58.00 3lml h ASP 60 Cb 0.72 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.44 3lml h ASP 60 CO -0.22 0.26 -0.49 0.58 -1.57 0.00 0.00 179.24 177.80 3lml h VAL 61 N 0.63 0.06 -0.61 -1.35 2.07 -1.24 -0.07 116.25 115.75 3lml h VAL 61 Ca 0.39 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.86 3lml h VAL 61 Cb 0.45 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3lml h VAL 61 CO -0.30 0.00 0.18 -0.08 0.02 0.00 0.00 177.57 177.39 3lml h GLU 62 N -0.77 0.95 -0.05 1.57 4.81 -1.13 0.37 114.58 120.33 3lml h GLU 62 Ca -0.01 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 3lml h GLU 62 Cb 0.76 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3lml h GLU 62 CO -0.22 0.86 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.40 3lml h LYS 63 N 0.87 0.10 0.00 1.92 3.64 -1.07 0.15 116.57 122.17 3lml h LYS 63 Ca 0.19 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 3lml h LYS 63 Cb 0.31 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3lml h LYS 63 CO -0.00 0.38 -2.17 1.63 -2.27 0.00 0.00 179.45 177.02 3lml n LYS 64 N -4.16 0.70 0.00 1.90 5.02 -0.05 -4.57 118.16 116.99 3lml n LYS 64 Ca -0.02 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3lml n LYS 64 Cb 0.36 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3lml n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3lml n LEU 65 N -2.49 1.40 0.00 -0.35 4.32 0.13 -4.58 117.00 115.43 3lml n LEU 65 Ca -0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 56.01 54.41 3lml n LEU 65 Cb 0.85 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.65 3lml n LEU 65 CO 0.44 0.35 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 3lml n GLY 66 N -0.20 1.84 3.48 -0.72 0.00 0.51 -4.36 105.19 105.73 3lml n GLY 66 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3lml n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lml s LEU 67 N 0.00 2.46 0.36 0.99 2.01 -1.25 -4.96 118.68 118.29 3lml s LEU 67 Ca 0.00 -1.29 -0.24 0.00 0.01 0.00 0.00 54.13 52.60 3lml s LEU 67 Cb 0.00 -0.61 -0.10 0.00 0.01 0.00 0.00 46.19 45.49 3lml s LEU 67 CO 0.00 -0.46 0.95 -0.55 1.01 0.00 0.00 176.35 177.30 3lml s SER 68 N -3.52 7.21 0.63 2.29 0.15 -1.26 -2.16 113.70 117.05 3lml s SER 68 Ca 0.33 1.79 0.42 0.00 0.70 0.00 0.00 55.95 59.19 3lml s SER 68 Cb 0.07 -2.57 2.27 0.00 -1.71 0.00 0.00 66.02 64.08 3lml s SER 68 CO 0.15 -0.16 2.28 0.25 1.20 0.00 0.00 173.24 176.95 3lml h LEU 69 N 2.76 0.00 0.00 3.45 5.85 -1.93 0.13 115.31 125.57 3lml h LEU 69 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3lml h LEU 69 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3lml h LEU 69 CO 0.64 0.00 -0.07 0.00 -0.34 0.00 0.00 178.44 178.67 3lml n ALA 70 N -2.04 2.47 -0.70 1.25 0.00 -1.26 -4.73 120.51 115.50 3lml n ALA 70 Ca -0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 3lml n ALA 70 Cb 0.09 -1.42 0.16 0.00 0.00 0.00 0.00 19.45 18.27 3lml n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3lml n HIS 71 N -1.65 0.38 0.26 0.00 -0.00 0.43 -4.90 115.22 109.74 3lml n HIS 71 Ca 0.06 0.37 0.15 0.00 -0.00 0.00 0.00 57.72 58.31 3lml n HIS 71 Cb 0.36 -1.96 0.51 0.00 -0.00 0.00 0.00 29.99 28.90 3lml n HIS 71 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 3lml h GLN 72 N -1.83 0.00 0.00 1.57 5.75 -1.90 -3.04 115.11 115.66 3lml h GLN 72 Ca -0.43 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.04 3lml h GLN 72 Cb 1.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.82 3lml h GLN 72 CO 0.40 0.00 -0.15 0.77 -2.65 0.00 0.00 178.83 177.19 3lml h SER 73 N 0.00 0.00 -0.71 -0.69 0.02 -1.92 -3.10 113.55 107.15 3lml h SER 73 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 3lml h SER 73 Cb 0.68 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.99 3lml h SER 73 CO 0.00 0.15 0.31 0.49 -1.14 0.00 0.00 176.83 176.64 3lml n PHE 74 N -3.52 2.20 0.18 3.45 0.99 -1.15 -4.71 117.46 114.89 3lml n PHE 74 Ca -0.01 -1.80 -0.14 0.00 -0.00 0.00 0.00 57.45 55.50 3lml n PHE 74 Cb 0.30 -0.76 -0.08 0.00 -1.00 0.00 0.00 39.48 37.94 3lml n PHE 74 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3lml h LEU 75 N 1.06 -1.18 -0.90 4.37 6.46 -1.71 -1.18 115.31 122.22 3lml h LEU 75 Ca 0.45 0.11 0.09 0.00 -0.12 0.00 0.00 57.88 58.41 3lml h LEU 75 Cb 2.23 0.41 -0.07 0.00 -0.73 0.00 0.00 40.66 42.50 3lml h LEU 75 CO 0.80 -0.50 0.55 -0.07 -0.62 0.00 0.00 178.44 178.60 3lml h LEU 76 N -0.73 0.82 -0.29 2.25 3.38 -1.89 -2.16 115.31 116.70 3lml h LEU 76 Ca -0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3lml h LEU 76 Cb 0.66 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3lml h LEU 76 CO -0.13 0.48 -0.10 0.25 0.09 0.00 0.00 178.44 179.03 3lml h LEU 77 N 0.93 -0.36 -0.74 1.67 5.85 -1.77 -0.83 115.31 120.06 3lml h LEU 77 Ca 0.42 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.28 3lml h LEU 77 Cb 0.33 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3lml h LEU 77 CO -0.23 -0.13 0.46 0.03 -0.34 0.00 0.00 178.44 178.23 3lml h ARG 78 N -0.05 0.85 -0.04 1.25 3.08 -0.60 -1.12 114.38 117.75 3lml h ARG 78 Ca 0.14 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3lml h ARG 78 Cb 0.27 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3lml h ARG 78 CO -0.32 0.56 -0.16 0.93 -1.07 0.00 0.00 179.97 179.91 3lml h GLU 79 N 0.88 0.06 -0.05 0.04 4.39 -0.93 -1.89 114.58 117.07 3lml h GLU 79 Ca 0.31 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.93 3lml h GLU 79 Cb 0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3lml h GLU 79 CO -0.13 0.22 -0.23 1.15 -1.16 0.00 0.00 179.01 178.86 3lml h THR 80 N 0.05 1.45 0.00 1.13 2.02 -0.26 -3.08 112.91 114.23 3lml h THR 80 Ca 0.01 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3lml h THR 80 Cb 0.32 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3lml h THR 80 CO 0.02 0.47 0.00 0.18 0.37 0.00 0.00 175.52 176.56 3lml n LEU 81 N -4.52 0.36 0.27 2.58 4.77 -0.51 -1.90 117.00 118.04 3lml n LEU 81 Ca -0.08 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3lml n LEU 81 Cb 0.45 -0.70 0.85 0.00 -2.33 0.00 0.00 43.42 41.69 3lml n LEU 81 CO 0.39 -0.76 1.12 0.11 -1.33 0.00 0.00 177.39 176.93 3lml h LYS 82 N 0.00 0.00 0.00 3.23 1.57 -1.26 -3.32 116.57 116.80 3lml h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lml h LYS 82 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3lml h LYS 82 CO 0.00 0.00 -0.21 1.28 -0.57 0.00 0.00 179.45 179.95 3lml n LEU 83 N -3.98 0.00 -4.76 2.94 4.77 -1.04 -5.06 117.00 109.87 3lml n LEU 83 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 3lml n LEU 83 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3lml n LEU 83 CO 0.29 0.00 0.56 0.00 -1.33 0.00 0.00 177.39 176.91 3lml s ALA 84 N -0.52 3.39 0.03 -1.18 0.00 -0.80 -4.63 121.76 118.04 3lml s ALA 84 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 3lml s ALA 84 Cb 0.00 -3.09 -0.24 0.00 0.00 0.00 0.00 23.12 19.80 3lml s ALA 84 CO 0.00 0.22 1.12 -0.22 0.00 0.00 0.00 175.76 176.88 3lml h LYS 85 N 4.42 0.51 -5.37 0.00 3.64 -0.14 -3.41 116.57 116.21 3lml h LYS 85 Ca -0.46 -0.56 -0.47 0.00 -1.27 0.00 0.00 60.65 57.90 3lml h LYS 85 Cb 1.20 0.16 -0.26 0.00 -0.41 0.00 0.00 32.23 32.92 3lml h LYS 85 CO 0.68 1.19 -0.80 0.99 -2.27 0.00 0.00 179.45 179.23 3lml s THR 86 N -3.21 1.16 -0.09 1.00 2.01 0.10 -4.65 115.64 111.97 3lml s THR 86 Ca -0.12 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3lml s THR 86 Cb 0.04 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.56 3lml s THR 86 CO 0.86 0.13 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.14 3lml s VAL 87 N -0.65 1.01 -0.83 3.82 1.01 -0.84 -1.15 120.40 122.78 3lml s VAL 87 Ca 0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3lml s VAL 87 Cb -0.07 -0.99 0.20 0.00 0.00 0.00 0.00 36.38 35.52 3lml s VAL 87 CO 0.01 0.35 0.82 -0.76 0.00 0.00 0.00 175.10 175.51 3lml s LEU 88 N 1.21 6.40 -0.04 3.92 1.43 0.17 -1.92 118.68 129.86 3lml s LEU 88 Ca -0.05 -2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 50.25 3lml s LEU 88 Cb -0.14 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3lml s LEU 88 CO -0.02 -0.69 0.99 0.54 0.23 0.00 0.00 176.35 177.40 3lml s VAL 89 N 0.74 4.83 -0.22 -1.59 0.11 -0.47 -2.03 120.40 121.77 3lml s VAL 89 Ca 0.20 2.05 -0.06 0.00 -2.93 0.00 0.00 61.98 61.23 3lml s VAL 89 Cb -0.11 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 3lml s VAL 89 CO -0.08 0.10 0.04 -0.47 -3.33 0.00 0.00 175.10 171.36 3lml s TYR 90 N 1.38 3.09 -0.49 1.54 5.04 -0.62 -0.28 117.35 127.01 3lml s TYR 90 Ca 0.51 -0.34 -0.28 0.00 -2.44 0.00 0.00 57.07 54.51 3lml s TYR 90 Cb -0.20 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 39.98 3lml s TYR 90 CO 0.24 -0.21 1.39 0.50 -1.34 0.00 0.00 175.55 176.13 3lml s ARG 91 N 1.12 3.45 0.03 4.97 3.52 -1.12 -2.42 118.95 128.50 3lml s ARG 91 Ca 0.04 0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 56.05 3lml s ARG 91 Cb -0.14 -4.06 -0.18 0.00 -1.56 0.00 0.00 34.95 29.00 3lml s ARG 91 CO 0.02 -1.74 1.44 -0.07 -0.81 0.00 0.00 175.30 174.14 3lml h LEU 92 N 12.58 -0.09 0.00 -0.88 3.38 -1.30 -2.82 115.31 126.17 3lml h LEU 92 Ca -0.27 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3lml h LEU 92 Cb 1.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3lml h LEU 92 CO 1.13 0.20 0.00 -0.46 0.09 0.00 0.00 178.44 179.41 3lml n ASN 93 N -5.01 0.00 -0.82 -0.43 0.23 -1.26 -4.70 115.26 103.27 3lml n ASN 93 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 3lml n ASN 93 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3lml n ASN 93 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3lml n ASP 94 N 0.00 0.00 0.00 0.53 4.64 -1.26 -4.35 116.55 116.11 3lml n ASP 94 Ca 0.00 -0.82 0.00 0.00 -1.38 0.00 0.00 54.79 52.59 3lml n ASP 94 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3lml n ASP 94 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3lml n GLY 95 N 0.00 -0.11 3.77 0.27 0.00 -1.26 -1.55 105.19 106.30 3lml n GLY 95 Ca 0.00 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 3lml n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 96 N -2.00 2.57 -0.15 -0.61 -1.09 0.78 -4.12 121.20 116.57 3lml s ILE 96 Ca 0.00 0.50 -0.19 0.00 -2.23 0.00 0.00 60.65 58.73 3lml s ILE 96 Cb 0.00 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3lml s ILE 96 CO 0.00 0.07 0.52 -0.54 -1.23 0.00 0.00 174.94 173.76 3lml s LYS 97 N -2.30 4.28 0.44 2.79 1.02 -1.26 -1.74 119.74 122.96 3lml s LYS 97 Ca 0.58 0.48 -0.26 0.00 0.02 0.00 0.00 55.97 56.80 3lml s LYS 97 Cb -0.38 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.34 3lml s LYS 97 CO 0.49 -0.01 1.44 0.00 -0.92 0.00 0.00 175.35 176.35 3lml n ALA 98 N 4.25 2.08 -2.43 5.17 0.00 -1.26 -4.63 120.51 123.69 3lml n ALA 98 Ca -0.05 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.41 3lml n ALA 98 Cb 0.51 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 3lml n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 99 N -1.18 0.29 0.00 0.00 2.01 -0.15 -0.40 115.64 116.21 3lml s THR 99 Ca 0.60 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.60 3lml s THR 99 Cb -0.45 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3lml s THR 99 CO 0.58 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 3lml n ALA 100 N -0.84 0.00 -3.10 7.40 0.00 -0.90 -0.24 120.51 122.83 3lml n ALA 100 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3lml n ALA 100 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 3lml n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 101 N -2.00 4.11 0.34 0.00 2.01 -1.26 -0.52 115.64 118.31 3lml s THR 101 Ca 0.00 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 3lml s THR 101 Cb 0.00 -3.13 -0.10 0.00 0.01 0.00 0.00 72.50 69.28 3lml s THR 101 CO 0.00 0.05 0.87 -0.22 -0.69 0.00 0.00 174.62 174.63 3lml s LEU 102 N 1.52 4.15 0.00 4.42 0.20 -0.79 -4.85 118.68 123.33 3lml s LEU 102 Ca 0.03 1.61 0.00 0.00 0.69 0.00 0.00 54.13 56.46 3lml s LEU 102 Cb -0.17 -4.14 0.00 0.00 -0.43 0.00 0.00 46.19 41.45 3lml s LEU 102 CO 0.03 -0.18 0.00 0.00 -0.29 0.00 0.00 176.35 175.92 3lml n ALA 103 N 0.00 0.00 -3.94 5.97 0.00 -1.26 -2.83 120.51 118.45 3lml n ALA 103 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 3lml n ALA 103 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 3lml n ALA 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 104 N 0.00 1.59 -1.09 0.00 2.01 -0.92 -4.88 115.64 112.35 3lml s THR 104 Ca 0.00 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 3lml s THR 104 Cb 0.00 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.62 3lml s THR 104 CO 0.00 -0.19 0.71 0.47 -0.69 0.00 0.00 174.62 174.91 3lml n ASP 105 N 4.63 -4.86 -3.37 3.53 9.92 -1.22 -2.44 116.55 122.74 3lml n ASP 105 Ca -0.10 -1.09 -0.26 0.00 -0.53 0.00 0.00 54.79 52.82 3lml n ASP 105 Cb 0.44 -2.40 -0.08 0.00 -0.64 0.00 0.00 41.12 38.43 3lml n ASP 105 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3lml n VAL 106 N -4.16 0.37 -1.57 2.53 0.31 -1.13 -4.39 118.33 110.30 3lml n VAL 106 Ca -0.14 -4.37 -0.49 0.00 -0.01 0.00 0.00 64.34 59.33 3lml n VAL 106 Cb 0.59 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 3lml n VAL 106 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3lml n VAL 107 N 1.53 0.36 -3.86 2.52 0.31 -1.25 -1.89 118.33 116.06 3lml n VAL 107 Ca 0.25 -0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 63.99 3lml n VAL 107 Cb 0.47 -1.86 -0.13 0.00 -0.91 0.00 0.00 33.84 31.40 3lml n VAL 107 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3lml s VAL 108 N 6.14 3.37 0.06 2.52 1.01 0.32 -1.39 120.40 132.43 3lml s VAL 108 Ca 1.02 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3lml s VAL 108 Cb -0.72 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3lml s VAL 108 CO 0.49 0.08 -0.14 0.42 0.00 0.00 0.00 175.10 175.94 3lml s THR 109 N 1.39 3.06 0.74 3.92 -4.23 -0.91 -2.11 115.64 117.50 3lml s THR 109 Ca 0.00 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.20 3lml s THR 109 Cb -0.17 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.37 3lml s THR 109 CO -0.01 0.27 1.18 0.00 -0.54 0.00 0.00 174.62 175.53 3lml s ALA 110 N -1.02 2.09 -0.01 3.99 0.00 0.46 -0.56 121.76 126.71 3lml s ALA 110 Ca 0.17 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.67 3lml s ALA 110 Cb -0.11 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.39 3lml s ALA 110 CO 0.08 -1.90 1.21 -0.22 0.00 0.00 0.00 175.76 174.93 3lml h LYS 111 N -0.46 -0.21 -6.17 0.00 3.64 -1.62 -3.43 116.57 108.31 3lml h LYS 111 Ca -0.47 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.41 3lml h LYS 111 Cb 1.28 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 3lml h LYS 111 CO 0.49 0.16 -0.31 0.71 -2.27 0.00 0.00 179.45 178.24 3lml s TYR 112 N -4.38 2.21 -0.04 1.91 2.02 -1.26 -5.07 117.35 112.74 3lml s TYR 112 Ca -0.14 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 55.85 3lml s TYR 112 Cb 0.02 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3lml s TYR 112 CO 0.58 -0.38 0.25 0.20 -1.57 0.00 0.00 175.55 174.63 3lml s GLY 113 N -4.26 2.27 0.00 0.71 0.00 -1.26 -4.56 107.32 100.22 3lml s GLY 113 Ca 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3lml s GLY 113 CO 0.28 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.71 3lml n GLY 114 N 1.55 4.28 0.02 0.20 0.00 -0.71 -4.04 105.19 106.49 3lml n GLY 114 Ca -0.15 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.43 3lml n GLY 114 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lml n ILE 115 N -1.92 1.84 0.20 -0.61 -5.35 -1.21 -1.14 119.36 111.17 3lml n ILE 115 Ca 0.00 0.53 0.07 0.00 -0.27 0.00 0.00 62.75 63.07 3lml n ILE 115 Cb 0.00 -1.52 0.40 0.00 -1.74 0.00 0.00 39.64 36.77 3lml n ILE 115 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3lml h VAL 116 N 0.00 0.86 0.00 7.28 2.07 -1.88 -2.35 116.25 122.23 3lml h VAL 116 Ca 0.00 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3lml h VAL 116 Cb 0.01 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3lml h VAL 116 CO 0.00 0.32 -0.07 1.23 0.02 0.00 0.00 177.57 179.08 3lml h GLY 117 N 1.81 0.00 1.14 2.17 0.00 -1.38 -2.22 103.07 104.59 3lml h GLY 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lml h GLY 117 CO 0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.28 3lml n ASN 118 N -3.37 0.00 -0.63 0.19 3.02 -0.88 -2.06 115.26 111.53 3lml n ASN 118 Ca -0.01 -0.61 0.10 0.00 -0.03 0.00 0.00 54.58 54.02 3lml n ASN 118 Cb 0.23 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3lml n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lml n SER 119 N -1.07 2.28 -4.77 6.41 7.64 -0.83 -4.78 113.62 118.50 3lml n SER 119 Ca 0.17 -1.64 -0.40 0.00 1.01 0.00 0.00 58.87 58.02 3lml n SER 119 Cb 0.11 0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 3lml n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3lml s ILE 120 N -1.97 4.47 -0.19 0.44 1.01 -0.87 -2.26 121.20 121.83 3lml s ILE 120 Ca 0.20 1.68 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 3lml s ILE 120 Cb 0.16 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.58 3lml s ILE 120 CO 0.38 0.48 0.42 0.28 0.00 0.00 0.00 174.94 176.50 3lml s THR 121 N -0.86 -0.44 -0.19 2.92 -1.32 -0.70 -1.95 115.64 113.10 3lml s THR 121 Ca 0.36 0.15 -0.13 0.00 -1.21 0.00 0.00 61.69 60.86 3lml s THR 121 Cb -0.22 -0.65 -0.05 0.00 -1.51 0.00 0.00 72.50 70.07 3lml s THR 121 CO 0.25 0.06 0.25 -0.63 -2.21 0.00 0.00 174.62 172.34 3lml s ILE 122 N 2.22 5.33 -0.25 5.08 1.09 -0.95 -0.86 121.20 132.85 3lml s ILE 122 Ca -0.04 0.43 0.02 0.00 -1.10 0.00 0.00 60.65 59.96 3lml s ILE 122 Cb -0.11 -3.59 0.06 0.00 -1.06 0.00 0.00 42.46 37.77 3lml s ILE 122 CO -0.13 0.38 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.25 3lml s LYS 123 N 0.62 2.06 -0.26 2.79 2.20 -0.51 -2.10 119.74 124.54 3lml s LYS 123 Ca 0.14 -1.25 -0.09 0.00 -0.36 0.00 0.00 55.97 54.41 3lml s LYS 123 Cb -0.13 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3lml s LYS 123 CO 0.03 -0.58 0.14 0.54 -0.36 0.00 0.00 175.35 175.12 3lml s VAL 124 N 1.19 4.89 0.25 4.02 0.11 -1.15 -2.22 120.40 127.48 3lml s VAL 124 Ca -0.08 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3lml s VAL 124 Cb -0.20 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 3lml s VAL 124 CO -0.05 0.30 0.04 0.47 -3.33 0.00 0.00 175.10 172.52 3lml n ASP 125 N 4.92 2.49 -4.89 3.54 10.43 -0.90 -0.23 116.55 131.92 3lml n ASP 125 Ca -0.15 -2.03 -0.34 0.00 2.57 0.00 0.00 54.79 54.84 3lml n ASP 125 Cb 0.52 0.13 -0.05 0.00 1.84 0.00 0.00 41.12 43.56 3lml n ASP 125 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3lml s GLU 126 N -2.92 3.53 0.12 -1.24 2.12 -1.26 0.37 118.70 119.42 3lml s GLU 126 Ca 0.03 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3lml s GLU 126 Cb -0.00 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.23 3lml s GLU 126 CO 0.02 0.66 1.24 1.21 -0.54 0.00 0.00 175.26 177.85 3lml s ASN 127 N -1.73 7.02 0.09 -1.70 3.04 0.97 -4.53 114.94 118.10 3lml s ASN 127 Ca 0.27 2.17 0.08 0.00 0.04 0.00 0.00 52.86 55.42 3lml s ASN 127 Cb -0.13 -2.59 -0.21 0.00 -1.54 0.00 0.00 41.25 36.78 3lml s ASN 127 CO 0.16 -0.48 1.15 -0.37 -3.04 0.00 0.00 177.10 174.52 3lml h VAL 128 N 4.17 1.52 -0.39 -5.21 -1.51 -1.97 -3.01 116.25 109.85 3lml h VAL 128 Ca -0.43 -3.25 0.00 0.00 -1.23 0.00 0.00 66.70 61.79 3lml h VAL 128 Cb 1.21 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 33.12 3lml h VAL 128 CO 0.80 0.86 0.00 0.52 -1.23 0.00 0.00 177.57 178.52 3lml n VAL 129 N -3.28 1.08 0.00 7.19 0.31 -1.26 -4.60 118.33 117.77 3lml n VAL 129 Ca -0.04 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 3lml n VAL 129 Cb 0.96 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 3lml n VAL 129 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3lml n ASP 130 N 0.58 0.00 0.13 4.52 4.64 -1.23 -5.03 116.55 120.16 3lml n ASP 130 Ca 0.15 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.61 3lml n ASP 130 Cb 0.58 0.00 0.25 0.00 -1.04 0.00 0.00 41.12 40.90 3lml n ASP 130 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3lml n SER 131 N 0.00 0.24 0.12 1.67 2.88 -1.14 -0.49 113.62 116.89 3lml n SER 131 Ca 0.00 0.46 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 3lml n SER 131 Cb 0.00 -0.39 0.34 0.00 -0.75 0.00 0.00 64.21 63.41 3lml n SER 131 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3lml h SER 132 N 0.00 0.00 -1.70 -3.46 4.64 -1.96 -3.44 113.55 107.63 3lml h SER 132 Ca 0.00 -0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 3lml h SER 132 Cb 0.69 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 3lml h SER 132 CO 0.00 0.01 -0.45 -0.54 -0.87 0.00 0.00 176.83 174.98 3lml s LYS 133 N -3.13 2.52 0.23 4.77 1.02 0.35 -4.76 119.74 120.75 3lml s LYS 133 Ca 0.10 -1.51 0.12 0.00 0.02 0.00 0.00 55.97 54.69 3lml s LYS 133 Cb 0.11 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 3lml s LYS 133 CO 0.62 -0.04 -0.21 0.15 -0.92 0.00 0.00 175.35 174.96 3lml s LYS 134 N -4.00 1.63 -0.92 1.68 3.01 0.38 -0.02 119.74 121.50 3lml s LYS 134 Ca 0.43 -1.62 -0.05 0.00 -1.01 0.00 0.00 55.97 53.72 3lml s LYS 134 Cb -0.03 -1.84 0.23 0.00 -1.01 0.00 0.00 37.83 35.18 3lml s LYS 134 CO 0.26 0.37 0.83 -0.51 0.51 0.00 0.00 175.35 176.81 3lml s ASP 135 N -3.07 6.33 -0.43 2.83 -0.00 0.16 -2.71 116.67 119.77 3lml s ASP 135 Ca 0.25 -3.51 -0.26 0.00 -0.00 0.00 0.00 52.55 49.03 3lml s ASP 135 Cb -0.07 -2.01 0.02 0.00 -0.00 0.00 0.00 42.92 40.87 3lml s ASP 135 CO 0.13 -0.26 0.98 -0.69 -0.00 0.00 0.00 175.17 175.32 3lml s VAL 136 N -1.06 4.44 0.12 -1.27 1.01 -0.58 -2.11 120.40 120.96 3lml s VAL 136 Ca 0.26 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.37 3lml s VAL 136 Cb -0.10 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 3lml s VAL 136 CO -0.10 -0.78 -0.26 0.42 0.00 0.00 0.00 175.10 174.38 3lml s THR 137 N 3.83 2.18 -0.09 3.92 -4.23 -0.94 -0.50 115.64 119.81 3lml s THR 137 Ca 0.40 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 3lml s THR 137 Cb -0.10 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 3lml s THR 137 CO 0.25 0.11 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.42 3lml s THR 138 N -1.03 3.06 0.18 3.99 2.01 0.14 -1.42 115.64 122.56 3lml s THR 138 Ca 0.13 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.53 3lml s THR 138 Cb -0.10 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 3lml s THR 138 CO 0.05 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.10 3lml s TYR 139 N -0.13 2.57 -0.36 4.92 1.51 -0.04 -1.14 117.35 124.68 3lml s TYR 139 Ca -0.01 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 3lml s TYR 139 Cb -0.14 -1.27 0.13 0.00 -0.11 0.00 0.00 41.96 40.58 3lml s TYR 139 CO 0.03 0.50 0.20 -1.17 -1.11 0.00 0.00 175.55 174.01 3lml s LEU 140 N -2.76 1.38 -0.13 -1.29 2.96 -0.39 -1.72 118.68 116.74 3lml s LEU 140 Ca 0.24 -2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 51.96 3lml s LEU 140 Cb -0.09 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.05 3lml s LEU 140 CO 0.14 -0.32 0.11 0.59 -1.32 0.00 0.00 176.35 175.56 3lml n ASN 141 N 4.07 -2.27 -0.35 3.68 5.03 -0.96 -3.67 115.26 120.80 3lml n ASN 141 Ca 0.09 -0.06 -0.05 0.00 0.87 0.00 0.00 54.58 55.44 3lml n ASN 141 Cb 0.37 -0.97 -0.02 0.00 -1.02 0.00 0.00 39.78 38.14 3lml n ASN 141 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3lml n GLU 142 N -1.11 -0.94 -4.14 3.52 4.71 -1.26 -4.99 120.64 116.43 3lml n GLU 142 Ca -0.01 0.52 -0.27 0.00 -0.01 0.00 0.00 57.16 57.39 3lml n GLU 142 Cb 0.51 -4.38 -0.17 0.00 -1.01 0.00 0.00 31.44 26.39 3lml n GLU 142 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3lml s VAL 143 N -1.86 1.20 0.45 2.62 0.11 -1.24 -5.09 120.40 116.59 3lml s VAL 143 Ca 0.00 -0.43 -0.25 0.00 -2.93 0.00 0.00 61.98 58.37 3lml s VAL 143 Cb 0.00 -1.16 -0.09 0.00 -1.53 0.00 0.00 36.38 33.60 3lml s VAL 143 CO 0.00 0.39 1.34 0.00 -3.33 0.00 0.00 175.10 173.50 3lml n ALA 144 N 4.57 1.59 -0.32 1.54 0.00 -1.26 -1.26 120.51 125.37 3lml n ALA 144 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3lml n ALA 144 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3lml n ALA 144 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3lml n VAL 145 N -0.30 0.00 -3.45 0.00 0.24 -0.29 -4.87 118.33 109.67 3lml n VAL 145 Ca 0.06 -0.05 0.01 0.00 -2.04 0.00 0.00 64.34 62.33 3lml n VAL 145 Cb 0.41 1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 34.06 3lml n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3lml s ASP 146 N -0.06 -0.65 -0.08 -1.34 2.15 -1.21 -4.99 116.67 110.49 3lml s ASP 146 Ca 0.00 0.90 0.02 0.00 0.43 0.00 0.00 52.55 53.90 3lml s ASP 146 Cb 0.00 1.72 0.01 0.00 -0.30 0.00 0.00 42.92 44.35 3lml s ASP 146 CO 0.00 -0.13 -0.14 -0.75 -0.17 0.00 0.00 175.17 173.99 3lml s LYS 147 N 2.46 1.95 -0.08 4.34 2.20 -1.26 0.28 119.74 129.62 3lml s LYS 147 Ca -0.03 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 3lml s LYS 147 Cb -0.07 -1.62 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 3lml s LYS 147 CO -0.18 0.00 -0.16 -0.65 -0.36 0.00 0.00 175.35 174.01 3lml s GLN 148 N 0.77 2.16 -0.74 4.03 -0.21 0.35 -5.00 119.66 121.02 3lml s GLN 148 Ca -0.12 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.58 3lml s GLN 148 Cb -0.16 -1.74 0.19 0.00 1.00 0.00 0.00 33.01 32.31 3lml s GLN 148 CO 0.02 0.05 0.65 0.08 -2.12 0.00 0.00 175.29 173.98 3lml s VAL 149 N 0.65 5.12 0.33 1.09 1.01 -1.26 -1.52 120.40 125.82 3lml s VAL 149 Ca -0.14 -2.44 0.10 0.00 0.00 0.00 0.00 61.98 59.49 3lml s VAL 149 Cb -0.16 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3lml s VAL 149 CO 0.04 -0.97 -0.04 0.68 0.00 0.00 0.00 175.10 174.81 3lml s VAL 150 N 0.32 2.60 -0.25 2.92 -7.23 -1.10 -4.90 120.40 112.76 3lml s VAL 150 Ca 0.16 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 3lml s VAL 150 Cb -0.15 -2.71 -0.15 0.00 0.56 0.00 0.00 36.38 33.93 3lml s VAL 150 CO -0.06 -0.24 -0.24 0.61 -0.31 0.00 0.00 175.10 174.86 3lml n GLY 151 N -0.87 -0.35 3.61 2.32 0.00 -1.26 -0.47 105.19 108.16 3lml n GLY 151 Ca -0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3lml n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 152 N -2.49 3.12 0.45 2.61 -1.32 -1.26 -4.78 115.64 111.97 3lml s THR 152 Ca -0.34 -2.03 0.10 0.00 -1.21 0.00 0.00 61.69 58.22 3lml s THR 152 Cb 0.09 -2.72 0.26 0.00 -1.51 0.00 0.00 72.50 68.63 3lml s THR 152 CO 0.55 -0.35 2.09 0.00 -2.21 0.00 0.00 174.62 174.69 3lml h ALA 153 N 1.95 1.81 -0.41 11.08 0.00 -1.95 -2.07 119.26 129.67 3lml h ALA 153 Ca -0.43 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3lml h ALA 153 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3lml h ALA 153 CO 0.61 0.17 -0.01 0.77 0.00 0.00 0.00 179.25 180.80 3lml h SER 154 N 0.34 0.62 0.05 0.00 0.02 -1.97 -2.72 113.55 109.89 3lml h SER 154 Ca 0.09 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3lml h SER 154 Cb -0.02 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3lml h SER 154 CO -0.02 0.70 0.00 -0.62 -1.14 0.00 0.00 176.83 175.75 3lml n GLU 155 N -4.24 0.14 -2.71 3.45 1.02 -0.78 -4.64 120.64 112.88 3lml n GLU 155 Ca 0.02 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 3lml n GLU 155 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3lml n GLU 155 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3lml s LEU 156 N -2.24 4.01 -0.20 -4.62 1.43 -1.03 -4.90 118.68 111.13 3lml s LEU 156 Ca 0.08 1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 54.14 3lml s LEU 156 Cb 0.04 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3lml s LEU 156 CO 0.08 -0.76 0.13 -0.63 0.23 0.00 0.00 176.35 175.40 3lml s ILE 157 N 3.38 5.39 0.40 -0.59 1.01 -1.26 -4.88 121.20 124.65 3lml s ILE 157 Ca 0.42 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 61.01 3lml s ILE 157 Cb -0.13 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 3lml s ILE 157 CO 0.12 0.43 1.10 0.47 0.00 0.00 0.00 174.94 177.06 3lml n ASP 158 N 3.62 1.73 -3.97 3.58 10.43 -1.26 -4.96 116.55 125.72 3lml n ASP 158 Ca -0.16 1.08 -0.23 0.00 2.57 0.00 0.00 54.79 58.05 3lml n ASP 158 Cb 0.52 -1.40 -0.04 0.00 1.84 0.00 0.00 41.12 42.04 3lml n ASP 158 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3lml n SER 159 N 0.53 2.96 -0.29 -2.24 3.41 -0.91 -4.99 113.62 112.09 3lml n SER 159 Ca 0.08 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3lml n SER 159 Cb 0.38 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3lml n SER 159 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lml n ASN 160 N -1.29 0.48 0.00 4.04 5.03 -1.26 -3.44 115.26 118.82 3lml n ASN 160 Ca -0.14 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.63 3lml n ASN 160 Cb 0.47 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3lml n ASN 160 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3lml n TYR 161 N -0.17 0.00 -4.37 3.10 4.01 -1.26 -4.82 117.16 113.64 3lml n TYR 161 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 3lml n TYR 161 Cb 0.12 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.05 3lml n TYR 161 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3lml s VAL 162 N -1.25 0.69 -0.22 -0.72 -7.23 -1.22 -1.77 120.40 108.67 3lml s VAL 162 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3lml s VAL 162 Cb 0.00 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.40 3lml s VAL 162 CO 0.00 0.00 0.19 -0.44 -0.31 0.00 0.00 175.10 174.54 3lml s SER 163 N -3.40 1.96 0.08 4.85 0.01 0.27 -2.15 113.70 115.32 3lml s SER 163 Ca 0.36 -0.55 -0.25 0.00 1.31 0.00 0.00 55.95 56.82 3lml s SER 163 Cb 0.07 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 3lml s SER 163 CO 0.15 -0.36 0.76 -0.36 0.41 0.00 0.00 173.24 173.84 3lml s PHE 164 N 2.26 3.78 -0.45 2.43 0.08 -1.26 -2.14 117.98 122.68 3lml s PHE 164 Ca 0.07 1.51 -0.00 0.00 0.12 0.00 0.00 56.93 58.62 3lml s PHE 164 Cb -0.16 -2.80 0.12 0.00 -0.57 0.00 0.00 43.02 39.61 3lml s PHE 164 CO -0.18 0.34 0.22 0.15 -0.10 0.00 0.00 175.22 175.65 3lml s LYS 165 N -0.36 1.97 -0.07 0.44 1.02 -0.48 -4.95 119.74 117.31 3lml s LYS 165 Ca 0.38 -2.08 -0.30 0.00 0.02 0.00 0.00 55.97 53.99 3lml s LYS 165 Cb -0.21 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 3lml s LYS 165 CO 0.24 -1.06 1.25 -0.08 -0.92 0.00 0.00 175.35 174.78 3lml s THR 166 N 0.66 4.17 0.02 2.17 -1.32 -1.26 -3.81 115.64 116.26 3lml s THR 166 Ca 0.12 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 62.08 3lml s THR 166 Cb -0.22 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 3lml s THR 166 CO -0.04 -0.03 0.01 1.07 -2.21 0.00 0.00 174.62 173.41 3lml n THR 167 N 4.80 0.00 0.21 5.08 5.66 -1.26 -5.05 114.28 123.72 3lml n THR 167 Ca 0.12 -0.08 -0.12 0.00 -3.05 0.00 0.00 64.05 60.92 3lml n THR 167 Cb 0.45 -0.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.95 3lml n THR 167 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3lml h SER 168 N 0.03 -0.49 0.00 1.09 0.02 -1.96 -3.19 113.55 109.06 3lml h SER 168 Ca -0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3lml h SER 168 Cb 0.04 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3lml h SER 168 CO 0.02 -0.08 0.00 0.35 -1.14 0.00 0.00 176.83 175.98 3lml n THR 169 N -5.19 0.50 -2.24 -2.27 -2.24 -1.26 -4.87 114.28 96.71 3lml n THR 169 Ca -0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3lml n THR 169 Cb 0.29 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 3lml n THR 169 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3lml s SER 170 N 0.58 6.67 -0.11 3.42 0.01 -1.21 -4.52 113.70 118.55 3lml s SER 170 Ca 0.00 1.71 -0.03 0.00 1.31 0.00 0.00 55.95 58.94 3lml s SER 170 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.74 3lml s SER 170 CO 0.00 -0.99 0.06 -1.61 0.41 0.00 0.00 173.24 171.11 3lml s GLU 171 N 4.07 0.13 -0.99 12.44 0.41 -1.02 -4.88 118.70 128.86 3lml s GLU 171 Ca 0.64 0.10 -0.23 0.00 -0.41 0.00 0.00 54.97 55.06 3lml s GLU 171 Cb -0.24 -1.22 0.04 0.00 -1.78 0.00 0.00 34.13 30.93 3lml s GLU 171 CO 0.23 -0.48 1.48 -1.17 -0.49 0.00 0.00 175.26 174.84 3lml s LEU 172 N 2.10 3.44 0.22 1.80 0.20 -1.26 -2.17 118.68 123.02 3lml s LEU 172 Ca 0.03 -1.29 -0.16 0.00 0.69 0.00 0.00 54.13 53.40 3lml s LEU 172 Cb -0.14 -2.57 -0.08 0.00 -0.43 0.00 0.00 46.19 42.97 3lml s LEU 172 CO -0.06 -1.65 0.65 -1.10 -0.29 0.00 0.00 176.35 173.90 3lml s GLN 173 N 5.23 4.07 0.35 1.98 1.11 -1.26 -5.00 119.66 126.14 3lml s GLN 173 Ca 0.47 0.64 -0.28 0.00 0.01 0.00 0.00 55.36 56.21 3lml s GLN 173 Cb -0.01 -2.78 -0.11 0.00 -1.01 0.00 0.00 33.01 29.10 3lml s GLN 173 CO -0.07 0.36 1.38 1.14 0.01 0.00 0.00 175.29 178.11 3lml s GLN 174 N -2.27 4.25 -0.02 2.91 1.03 -1.26 -4.48 119.66 119.82 3lml s GLN 174 Ca 0.44 2.35 0.02 0.00 0.04 0.00 0.00 55.36 58.22 3lml s GLN 174 Cb -0.14 -3.02 -0.00 0.00 0.03 0.00 0.00 33.01 29.88 3lml s GLN 174 CO 0.20 -0.33 -0.08 0.45 -2.54 0.00 0.00 175.29 172.99 3lml s SER 175 N -0.36 1.01 0.41 12.60 0.15 0.68 -4.95 113.70 123.24 3lml s SER 175 Ca 0.51 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 57.20 3lml s SER 175 Cb -0.42 -0.20 0.88 0.00 -1.71 0.00 0.00 66.02 64.56 3lml s SER 175 CO 0.57 0.07 1.83 0.77 1.20 0.00 0.00 173.24 177.68 3lml h SER 176 N 6.20 0.00 0.00 5.45 4.64 -1.92 -3.05 113.55 124.86 3lml h SER 176 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3lml h SER 176 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3lml h SER 176 CO 0.49 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 3lml n GLY 177 N -0.11 0.13 3.61 -0.77 0.00 -1.26 -4.86 105.19 101.93 3lml n GLY 177 Ca -0.01 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 3lml n GLY 177 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 178 N 0.00 5.28 0.06 2.61 -1.32 -0.89 -4.96 115.64 116.41 3lml s THR 178 Ca 0.00 0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.73 3lml s THR 178 Cb 0.00 -3.58 -0.05 0.00 -1.51 0.00 0.00 72.50 67.36 3lml s THR 178 CO 0.00 0.24 0.32 0.28 -2.21 0.00 0.00 174.62 173.25 3lml s THR 179 N 1.70 5.23 0.63 5.08 -1.32 -1.26 -2.24 115.64 123.45 3lml s THR 179 Ca 0.10 0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.61 3lml s THR 179 Cb -0.15 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.21 3lml s THR 179 CO 0.09 0.26 1.05 -0.76 -2.21 0.00 0.00 174.62 173.06 3lml s LEU 180 N -2.04 3.35 0.15 9.08 1.02 -0.83 -4.83 118.68 124.59 3lml s LEU 180 Ca 0.32 1.72 -0.18 0.00 0.02 0.00 0.00 54.13 56.01 3lml s LEU 180 Cb -0.13 -4.52 0.04 0.00 0.02 0.00 0.00 46.19 41.61 3lml s LEU 180 CO 0.19 -1.25 0.48 0.54 0.02 0.00 0.00 176.35 176.33 3lml s VAL 181 N -2.71 0.04 0.00 -1.59 0.11 0.66 -4.58 120.40 112.34 3lml s VAL 181 Ca 0.61 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 3lml s VAL 181 Cb -0.15 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 3lml s VAL 181 CO 0.44 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 3lml n GLY 182 N -0.29 0.71 3.73 6.54 0.00 -1.26 -0.98 105.19 113.64 3lml n GLY 182 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3lml n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lml s GLY 183 N -1.12 2.44 0.03 -0.02 0.00 -1.26 -4.52 107.32 102.87 3lml s GLY 183 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 44.72 45.57 3lml s GLY 183 CO 0.00 2.06 0.47 -0.51 0.00 0.00 0.00 173.10 175.12 3lml s THR 184 N 0.26 0.04 -0.12 0.90 -4.23 -1.14 -4.28 115.64 107.07 3lml s THR 184 Ca 0.57 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 3lml s THR 184 Cb -0.35 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3lml s THR 184 CO 0.36 -0.18 -0.16 1.51 -0.54 0.00 0.00 174.62 175.61 3lml s ASP 185 N -1.83 2.56 0.16 3.99 -4.77 -1.26 -0.16 116.67 115.36 3lml s ASP 185 Ca -0.07 -0.46 -0.30 0.00 -3.30 0.00 0.00 52.55 48.42 3lml s ASP 185 Cb -0.01 -1.14 -0.07 0.00 -1.09 0.00 0.00 42.92 40.60 3lml s ASP 185 CO -0.00 0.01 1.10 0.00 0.70 0.00 0.00 175.17 176.98 3lml s GLN 186 N 1.07 4.58 0.80 2.11 -2.07 -0.60 -4.97 119.66 120.59 3lml s GLN 186 Ca -0.04 1.71 -0.15 0.00 -1.82 0.00 0.00 55.36 55.05 3lml s GLN 186 Cb -0.15 -3.29 -0.02 0.00 -1.09 0.00 0.00 33.01 28.46 3lml s GLN 186 CO -0.03 0.05 0.41 -0.35 -1.32 0.00 0.00 175.29 174.04 3lml n PRO 187 N 2.53 0.10 -2.28 9.60 -0.04 -1.26 -4.32 135.00 139.32 3lml n PRO 187 Ca 0.03 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 3lml n PRO 187 Cb 0.46 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3lml n PRO 187 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3lml s VAL 188 N -2.07 3.87 0.06 0.52 1.01 -1.26 -4.93 120.40 117.61 3lml s VAL 188 Ca 0.61 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.82 3lml s VAL 188 Cb -0.30 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3lml s VAL 188 CO 0.62 -0.02 0.18 0.28 0.00 0.00 0.00 175.10 176.17 3lml s THR 189 N 2.52 5.21 0.65 3.92 -1.32 -1.26 -4.97 115.64 120.38 3lml s THR 189 Ca 0.62 -0.47 0.35 0.00 -1.21 0.00 0.00 61.69 60.98 3lml s THR 189 Cb -0.29 -3.53 0.37 0.00 -1.51 0.00 0.00 72.50 67.53 3lml s THR 189 CO 0.25 0.14 2.13 0.78 -2.21 0.00 0.00 174.62 175.71 3lml h ASN 190 N 3.14 0.00 -0.68 8.08 -0.26 -2.02 0.17 115.58 124.01 3lml h ASN 190 Ca -0.45 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.22 3lml h ASN 190 Cb 1.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.39 3lml h ASN 190 CO 0.74 0.00 0.17 -0.07 -1.06 0.00 0.00 177.43 177.20 3lml h LEU 191 N 0.00 1.04 -0.98 1.61 3.38 -2.01 -2.97 115.31 115.39 3lml h LEU 191 Ca 0.02 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.86 3lml h LEU 191 Cb 0.39 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3lml h LEU 191 CO -0.00 1.00 0.62 0.44 0.09 0.00 0.00 178.44 180.59 3lml h ASP 192 N 1.05 0.94 0.30 -0.43 3.45 -0.96 0.21 116.42 120.97 3lml h ASP 192 Ca 0.22 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.67 3lml h ASP 192 Cb 0.37 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3lml h ASP 192 CO 0.00 0.55 -0.19 1.88 -1.57 0.00 0.00 179.24 179.91 3lml h TYR 193 N 1.05 0.00 -0.08 4.55 -1.99 -1.57 -1.12 116.97 117.81 3lml h TYR 193 Ca 0.45 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.11 3lml h TYR 193 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3lml h TYR 193 CO -0.01 0.19 -0.22 1.15 -0.00 0.00 0.00 178.16 179.27 3lml h THR 194 N 0.00 1.41 -0.32 -2.88 2.02 -0.98 -2.93 112.91 109.23 3lml h THR 194 Ca -0.00 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 65.66 3lml h THR 194 Cb 0.40 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3lml h THR 194 CO 0.02 0.45 0.22 1.56 0.37 0.00 0.00 175.52 178.14 3lml h GLN 195 N -0.19 0.21 -0.17 6.66 1.08 -0.79 -1.30 115.11 120.61 3lml h GLN 195 Ca -0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3lml h GLN 195 Cb 0.83 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 3lml h GLN 195 CO 0.05 0.14 0.11 0.35 -0.95 0.00 0.00 178.83 178.52 3lml h PHE 196 N 0.22 0.22 0.00 2.96 -0.00 -1.12 -0.33 116.94 118.88 3lml h PHE 196 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.09 3lml h PHE 196 Cb 0.29 -0.07 -0.00 0.00 -0.00 0.00 0.00 35.95 36.16 3lml h PHE 196 CO -0.00 0.17 -0.12 -0.07 -0.00 0.00 0.00 178.31 178.29 3lml h LEU 197 N 0.21 0.00 -0.03 0.59 3.38 -1.07 0.22 115.31 118.61 3lml h LEU 197 Ca 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3lml h LEU 197 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3lml h LEU 197 CO -0.01 0.12 -0.67 0.58 0.09 0.00 0.00 178.44 178.55 3lml h VAL 198 N 0.00 1.38 0.00 1.22 2.07 -0.88 -3.06 116.25 116.98 3lml h VAL 198 Ca -0.00 -2.06 -0.06 0.00 0.82 0.00 0.00 66.70 65.40 3lml h VAL 198 Cb 0.28 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3lml h VAL 198 CO 0.02 0.61 -0.29 0.28 0.02 0.00 0.00 177.57 178.21 3lml h SER 199 N 0.05 0.00 0.19 0.57 0.02 -0.62 -2.76 113.55 111.00 3lml h SER 199 Ca -0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3lml h SER 199 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 3lml h SER 199 CO 0.13 0.29 -0.03 0.00 -1.14 0.00 0.00 176.83 176.08 3lml h ALA 200 N 1.71 1.20 -0.09 3.77 0.00 -0.47 -2.20 119.26 123.19 3lml h ALA 200 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3lml h ALA 200 Cb 0.89 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3lml h ALA 200 CO 0.04 0.03 -0.20 0.93 0.00 0.00 0.00 179.25 180.05 3lml h GLU 201 N 0.00 0.15 -0.92 0.00 5.08 -1.51 -2.88 114.58 114.49 3lml h GLU 201 Ca -0.00 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 3lml h GLU 201 Cb 0.13 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 29.16 3lml h GLU 201 CO 0.00 0.35 0.42 0.41 -1.00 0.00 0.00 179.01 179.20 3lml n GLY 202 N -0.79 3.77 3.19 -3.84 0.00 -0.83 -4.92 105.19 101.77 3lml n GLY 202 Ca -0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 3lml n GLY 202 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 203 N -2.66 1.00 -0.43 1.61 0.41 -1.09 -5.11 118.70 112.43 3lml s GLU 203 Ca 0.46 -0.90 -0.14 0.00 -0.41 0.00 0.00 54.97 53.99 3lml s GLU 203 Cb 0.38 -1.06 0.05 0.00 -1.78 0.00 0.00 34.13 31.72 3lml s GLU 203 CO 0.10 0.25 0.32 0.71 -0.49 0.00 0.00 175.26 176.15 3lml s TYR 204 N -1.00 3.25 0.10 1.61 4.12 -1.26 -5.04 117.35 119.13 3lml s TYR 204 Ca 0.02 -0.86 -0.03 0.00 0.02 0.00 0.00 57.07 56.22 3lml s TYR 204 Cb -0.09 -2.82 -0.03 0.00 -1.52 0.00 0.00 41.96 37.50 3lml s TYR 204 CO 0.02 -0.70 0.07 -0.59 0.02 0.00 0.00 175.55 174.36 3lml s PHE 205 N 1.62 0.60 -0.17 2.71 -0.12 -1.26 -5.03 117.98 116.33 3lml s PHE 205 Ca 0.04 -1.04 -0.16 0.00 -0.05 0.00 0.00 56.93 55.72 3lml s PHE 205 Cb -0.21 -0.35 -0.22 0.00 -0.63 0.00 0.00 43.02 41.61 3lml s PHE 205 CO 0.07 -0.50 0.29 -0.44 -0.05 0.00 0.00 175.22 174.60 3lml h ASP 206 N 2.92 0.18 -4.41 1.98 5.19 -1.58 -3.48 116.42 117.21 3lml h ASP 206 Ca -0.34 -0.69 -0.44 0.00 -0.62 0.00 0.00 57.03 54.93 3lml h ASP 206 Cb 1.18 -0.06 -0.22 0.00 0.18 0.00 0.00 39.33 40.42 3lml h ASP 206 CO 0.60 1.64 -0.79 -0.89 -3.12 0.00 0.00 179.24 176.68 3lml s THR 207 N -2.44 1.23 -0.08 0.35 2.01 -1.21 -2.37 115.64 113.14 3lml s THR 207 Ca -0.26 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.44 3lml s THR 207 Cb 0.06 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.41 3lml s THR 207 CO 0.67 -0.17 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.74 3lml s ILE 208 N -1.22 1.55 -0.09 1.82 2.07 0.36 -1.18 121.20 124.50 3lml s ILE 208 Ca -0.00 -0.72 -0.06 0.00 -1.41 0.00 0.00 60.65 58.46 3lml s ILE 208 Cb -0.10 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.08 3lml s ILE 208 CO 0.03 0.45 0.15 0.00 -1.91 0.00 0.00 174.94 173.65 3lml s ALA 209 N 0.49 3.88 -0.56 1.50 0.00 0.13 -1.79 121.76 125.41 3lml s ALA 209 Ca -0.16 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3lml s ALA 209 Cb -0.17 -1.93 0.19 0.00 0.00 0.00 0.00 23.12 21.21 3lml s ALA 209 CO 0.06 0.65 0.48 0.34 0.00 0.00 0.00 175.76 177.29 3lml n PHE 210 N 1.71 1.39 0.00 0.00 -0.00 -0.61 -4.37 117.46 115.58 3lml n PHE 210 Ca -0.18 -3.84 0.00 0.00 -0.00 0.00 0.00 57.45 53.43 3lml n PHE 210 Cb 0.54 -0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 3lml n PHE 210 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3lml n PRO 211 N 2.06 0.66 -2.39 -7.13 -0.04 -1.26 -4.53 135.00 122.36 3lml n PRO 211 Ca 0.25 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 3lml n PRO 211 Cb 0.43 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 3lml n PRO 211 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3lml s VAL 212 N 0.57 3.35 0.47 0.52 0.11 -1.26 -4.79 120.40 119.37 3lml s VAL 212 Ca 0.00 1.18 -0.24 0.00 -2.93 0.00 0.00 61.98 59.99 3lml s VAL 212 Cb 0.00 -3.68 -0.08 0.00 -1.53 0.00 0.00 36.38 31.09 3lml s VAL 212 CO 0.00 0.15 1.22 -0.24 -3.33 0.00 0.00 175.10 172.90 3lml n SER 213 N 0.38 2.24 0.00 3.54 2.88 -1.26 -4.81 113.62 116.59 3lml n SER 213 Ca 0.03 1.04 0.02 0.00 -1.33 0.00 0.00 58.87 58.63 3lml n SER 213 Cb 0.46 -1.49 0.08 0.00 -0.75 0.00 0.00 64.21 62.52 3lml n SER 213 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3lml n SER 214 N -0.10 0.00 0.00 -3.46 7.64 -1.26 -3.85 113.62 112.59 3lml n SER 214 Ca 0.08 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.39 3lml n SER 214 Cb 0.41 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3lml n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3lml n SER 215 N -1.44 0.00 -4.59 6.43 7.64 -1.26 -4.58 113.62 115.82 3lml n SER 215 Ca 0.01 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 3lml n SER 215 Cb 0.04 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 3lml n SER 215 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3lml n ASP 216 N -0.31 3.09 0.09 6.43 -0.08 -1.25 -4.85 116.55 119.67 3lml n ASP 216 Ca 0.00 0.10 -0.14 0.00 -1.51 0.00 0.00 54.79 53.24 3lml n ASP 216 Cb 0.00 -1.55 -0.10 0.00 2.34 0.00 0.00 41.12 41.81 3lml n ASP 216 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3lml h VAL 217 N 7.24 1.47 -0.23 5.18 2.07 -1.89 -3.30 116.25 126.78 3lml h VAL 217 Ca -0.38 -2.83 0.06 0.00 0.82 0.00 0.00 66.70 64.37 3lml h VAL 217 Cb 1.25 2.73 -0.07 0.00 -1.52 0.00 0.00 31.29 33.68 3lml h VAL 217 CO 0.99 0.83 -0.24 0.00 0.02 0.00 0.00 177.57 179.17 3lml h ALA 218 N 0.67 -0.13 -0.03 1.67 0.00 -1.99 -1.25 119.26 118.20 3lml h ALA 218 Ca -0.11 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3lml h ALA 218 Cb 1.80 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 20.03 3lml h ALA 218 CO 0.18 -0.67 -0.38 -0.07 0.00 0.00 0.00 179.25 178.32 3lml h LEU 219 N -0.25 -1.15 -0.94 0.00 3.38 -1.98 0.11 115.31 114.48 3lml h LEU 219 Ca 0.13 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.46 3lml h LEU 219 Cb 0.45 0.46 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 3lml h LEU 219 CO -0.37 -0.42 0.49 0.11 0.09 0.00 0.00 178.44 178.34 3lml h LYS 220 N -0.52 0.53 -0.01 1.13 1.57 -1.55 0.16 116.57 117.89 3lml h LYS 220 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3lml h LYS 220 Cb 0.61 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3lml h LYS 220 CO -0.32 0.35 -0.00 1.15 -0.57 0.00 0.00 179.45 180.07 3lml h THR 221 N 0.55 1.25 0.00 -0.16 2.02 0.14 -1.47 112.91 115.25 3lml h THR 221 Ca 0.57 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3lml h THR 221 Cb 1.01 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3lml h THR 221 CO -0.46 0.20 -0.00 0.77 0.37 0.00 0.00 175.52 176.39 3lml h SER 222 N -0.29 0.00 -0.00 4.18 4.64 0.53 -0.97 113.55 121.64 3lml h SER 222 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lml h SER 222 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3lml h SER 222 CO 0.00 0.00 -0.01 0.15 -0.87 0.00 0.00 176.83 176.11 3lml h PHE 223 N 0.00 0.01 -0.72 4.77 3.57 -0.25 -2.05 116.94 122.27 3lml h PHE 223 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3lml h PHE 223 Cb 0.01 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 3lml h PHE 223 CO 0.00 0.74 0.47 0.28 -2.23 0.00 0.00 178.31 177.57 3lml h VAL 224 N -0.73 0.97 -0.02 1.41 2.07 -0.29 -1.27 116.25 118.39 3lml h VAL 224 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3lml h VAL 224 Cb 0.74 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3lml h VAL 224 CO 0.00 0.12 0.00 0.28 0.02 0.00 0.00 177.57 178.00 3lml h SER 225 N 0.67 0.04 -0.62 0.57 0.02 -1.19 -1.31 113.55 111.73 3lml h SER 225 Ca 0.32 -0.25 0.13 0.00 -0.84 0.00 0.00 61.79 61.15 3lml h SER 225 Cb 0.38 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 3lml h SER 225 CO -0.11 0.28 0.02 0.15 -1.14 0.00 0.00 176.83 176.03 3lml h PHE 226 N -0.21 -0.01 -0.58 3.45 3.04 -0.51 -0.20 116.94 121.92 3lml h PHE 226 Ca 0.01 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 3lml h PHE 226 Cb 0.26 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 3lml h PHE 226 CO 0.01 -0.15 0.09 0.28 -2.02 0.00 0.00 178.31 176.51 3lml h VAL 227 N 0.13 1.26 -0.78 1.41 2.07 -1.14 -2.84 116.25 116.37 3lml h VAL 227 Ca 0.33 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3lml h VAL 227 Cb 0.53 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3lml h VAL 227 CO -0.52 0.37 0.47 0.11 0.02 0.00 0.00 177.57 178.01 3lml h LYS 228 N 0.87 0.83 -0.60 1.57 1.57 0.01 -1.53 116.57 119.29 3lml h LYS 228 Ca 0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3lml h LYS 228 Cb 0.43 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3lml h LYS 228 CO 0.01 0.55 0.00 0.54 -0.57 0.00 0.00 179.45 179.98 3lml n ARG 229 N -4.69 0.13 0.00 3.15 1.74 -0.22 -0.79 116.66 115.98 3lml n ARG 229 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3lml n ARG 229 Cb 0.17 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3lml n ARG 229 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3lml n ARG 231 N 0.57 0.00 0.00 5.56 1.74 -0.58 0.57 116.66 124.52 3lml n ARG 231 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3lml n ARG 231 Cb 0.04 0.00 0.67 0.00 -1.02 0.00 0.00 32.46 32.15 3lml n ARG 231 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3lml n ASP 232 N 0.00 0.00 0.00 0.55 8.00 0.03 -2.13 116.55 123.01 3lml n ASP 232 Ca 0.00 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3lml n ASP 232 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3lml n ASP 232 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3lml n GLU 233 N -0.87 0.00 0.02 -1.24 2.13 0.19 -4.79 120.64 116.08 3lml n GLU 233 Ca 0.17 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.10 3lml n GLU 233 Cb 0.08 -0.70 0.02 0.00 0.27 0.00 0.00 31.44 31.11 3lml n GLU 233 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3lml n GLN 234 N -2.42 0.21 -0.71 5.31 -0.06 -0.59 -4.96 117.38 114.15 3lml n GLN 234 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3lml n GLN 234 Cb 0.36 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 3lml n GLN 234 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3lml n GLY 235 N 1.41 0.80 3.41 1.69 0.00 -0.90 -4.99 105.19 106.60 3lml n GLY 235 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3lml n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lml s VAL 236 N -3.02 4.72 -1.12 1.61 1.01 -1.25 -4.81 120.40 117.54 3lml s VAL 236 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 3lml s VAL 236 Cb 0.00 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3lml s VAL 236 CO 0.00 -1.10 1.71 -0.54 0.00 0.00 0.00 175.10 175.17 3lml s LYS 237 N 2.98 3.35 0.41 2.72 -0.14 -1.26 -2.94 119.74 124.86 3lml s LYS 237 Ca 0.15 -1.28 0.08 0.00 -1.36 0.00 0.00 55.97 53.56 3lml s LYS 237 Cb -0.21 -5.35 -0.02 0.00 -1.68 0.00 0.00 37.83 30.57 3lml s LYS 237 CO 0.09 -2.73 0.36 0.96 -0.76 0.00 0.00 175.35 173.26 3lml s ILE 238 N 6.66 2.74 -0.01 2.17 -4.36 -1.26 -4.89 121.20 122.24 3lml s ILE 238 Ca 0.57 -1.37 0.05 0.00 -0.26 0.00 0.00 60.65 59.64 3lml s ILE 238 Cb 0.00 -3.02 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 3lml s ILE 238 CO 0.01 -0.02 -0.17 -0.54 0.24 0.00 0.00 174.94 174.47 3lml s LYS 239 N -4.10 2.31 0.09 0.37 -0.14 -1.00 -4.87 119.74 112.40 3lml s LYS 239 Ca 0.47 -0.82 0.09 0.00 -1.36 0.00 0.00 55.97 54.35 3lml s LYS 239 Cb -0.03 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 3lml s LYS 239 CO 0.27 0.59 -0.20 0.20 -0.76 0.00 0.00 175.35 175.45 3lml s GLY 240 N -0.99 1.62 -0.17 -3.33 0.00 -0.28 -0.49 107.32 103.68 3lml s GLY 240 Ca 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 3lml s GLY 240 CO 0.02 -1.27 0.00 0.14 0.00 0.00 0.00 173.10 171.99 3lml s VAL 241 N -1.05 0.74 0.18 1.40 1.01 -0.74 -0.30 120.40 121.64 3lml s VAL 241 Ca 0.16 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3lml s VAL 241 Cb -0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3lml s VAL 241 CO 0.08 -0.05 -0.13 0.68 0.00 0.00 0.00 175.10 175.68 3lml s VAL 242 N 1.78 1.48 -0.11 2.92 -7.23 -1.06 -1.57 120.40 116.60 3lml s VAL 242 Ca -0.00 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 57.91 3lml s VAL 242 Cb -0.16 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 3lml s VAL 242 CO -0.07 -0.66 0.29 0.00 -0.31 0.00 0.00 175.10 174.35 3lml s ALA 243 N -3.10 3.68 -0.00 1.32 0.00 -1.26 -1.53 121.76 120.86 3lml s ALA 243 Ca 0.20 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 3lml s ALA 243 Cb 0.01 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3lml s ALA 243 CO 0.04 0.30 0.01 0.09 0.00 0.00 0.00 175.76 176.20 3lml n ASN 244 N 2.82 -3.27 -3.12 0.00 3.02 0.05 -4.90 115.26 109.85 3lml n ASN 244 Ca -0.14 1.25 -0.18 0.00 -0.03 0.00 0.00 54.58 55.48 3lml n ASN 244 Cb 0.53 -2.67 -0.05 0.00 -0.61 0.00 0.00 39.78 36.97 3lml n ASN 244 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3lml n PRO 246 N 2.00 0.39 0.00 3.52 -0.04 -1.26 -5.07 135.00 134.54 3lml n PRO 246 Ca -0.02 -2.71 0.09 0.00 -0.04 0.00 0.00 63.50 60.83 3lml n PRO 246 Cb 0.02 -1.55 0.48 0.00 -0.04 0.00 0.00 33.50 32.42 3lml n PRO 246 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lml n ALA 247 N 2.66 2.02 -4.25 0.55 0.00 -1.26 -4.88 120.51 115.35 3lml n ALA 247 Ca 0.24 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 3lml n ALA 247 Cb 0.52 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3lml n ALA 247 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3lml n ASP 248 N -1.29 0.08 -3.82 0.00 -0.08 -1.16 -4.91 116.55 105.38 3lml n ASP 248 Ca 0.09 -1.19 -0.14 0.00 -1.51 0.00 0.00 54.79 52.03 3lml n ASP 248 Cb 0.15 -2.02 -0.15 0.00 2.34 0.00 0.00 41.12 41.44 3lml n ASP 248 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3lml s TYR 249 N -4.09 0.08 -1.89 -0.67 5.04 -1.25 -4.55 117.35 110.01 3lml s TYR 249 Ca 0.14 0.06 0.14 0.00 -2.44 0.00 0.00 57.07 54.97 3lml s TYR 249 Cb -0.08 -0.19 0.79 0.00 0.35 0.00 0.00 41.96 42.83 3lml s TYR 249 CO 0.97 -0.06 1.26 -0.85 -1.34 0.00 0.00 175.55 175.53 3lml n GLU 250 N 3.78 0.38 0.00 4.97 0.00 -1.26 -2.14 120.64 126.37 3lml n GLU 250 Ca -0.22 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.09 3lml n GLU 250 Cb 0.54 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.57 3lml n GLU 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lml n GLY 251 N -0.14 0.59 3.26 -1.84 0.00 -1.26 -4.91 105.19 100.89 3lml n GLY 251 Ca 0.10 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 3lml n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 252 N -2.17 1.81 -0.20 -0.61 1.09 -0.91 -1.12 121.20 119.08 3lml s ILE 252 Ca 0.25 -0.98 -0.09 0.00 -1.10 0.00 0.00 60.65 58.74 3lml s ILE 252 Cb 0.19 -1.51 -0.04 0.00 -1.06 0.00 0.00 42.46 40.04 3lml s ILE 252 CO 0.40 0.51 0.10 -0.63 -0.10 0.00 0.00 174.94 175.22 3lml s ILE 253 N -0.51 5.07 -0.71 2.92 -1.09 0.59 -0.76 121.20 126.71 3lml s ILE 253 Ca 0.08 0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.42 3lml s ILE 253 Cb -0.09 -3.31 0.18 0.00 -1.58 0.00 0.00 42.46 37.66 3lml s ILE 253 CO -0.01 0.42 0.66 0.21 -1.23 0.00 0.00 174.94 175.00 3lml s ASN 254 N 0.58 6.53 0.14 3.58 3.04 -1.26 -2.57 114.94 124.98 3lml s ASN 254 Ca 0.06 -2.33 -0.31 0.00 0.04 0.00 0.00 52.86 50.31 3lml s ASN 254 Cb -0.12 -2.21 -0.09 0.00 -1.54 0.00 0.00 41.25 37.29 3lml s ASN 254 CO 0.01 -0.69 1.48 -0.69 -3.04 0.00 0.00 177.10 174.17 3lml s VAL 255 N 0.73 2.95 -0.09 -5.21 1.01 -0.58 -0.02 120.40 119.19 3lml s VAL 255 Ca 0.12 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 3lml s VAL 255 Cb -0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3lml s VAL 255 CO -0.04 0.06 -0.14 -1.14 0.00 0.00 0.00 175.10 173.84 3lml n ARG 256 N 3.91 0.28 -3.78 2.72 3.00 -0.54 -0.77 116.66 121.48 3lml n ARG 256 Ca 0.12 0.31 -0.25 0.00 -0.00 0.00 0.00 57.85 58.04 3lml n ARG 256 Cb 0.40 -1.21 -0.01 0.00 0.00 0.00 0.00 32.46 31.65 3lml n ARG 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3lml s ASN 257 N -4.90 4.72 0.00 6.15 4.22 -1.26 -4.72 114.94 119.15 3lml s ASN 257 Ca -0.11 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.47 3lml s ASN 257 Cb 0.02 0.22 0.00 0.00 1.28 0.00 0.00 41.25 42.77 3lml s ASN 257 CO 0.17 -1.03 0.00 0.61 -2.04 0.00 0.00 177.10 174.80 3lml n GLY 258 N -1.75 4.96 3.37 0.45 0.00 -0.75 -4.30 105.19 107.17 3lml n GLY 258 Ca 0.01 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 3lml n GLY 258 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lml s VAL 259 N 0.58 0.00 -0.10 1.61 -7.23 -0.71 -1.64 120.40 112.91 3lml s VAL 259 Ca 0.00 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 3lml s VAL 259 Cb 0.00 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.46 3lml s VAL 259 CO 0.00 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.79 3lml s THR 260 N -3.64 1.19 0.72 5.32 2.01 0.22 -0.67 115.64 120.79 3lml s THR 260 Ca 0.34 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 3lml s THR 260 Cb 0.02 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3lml s THR 260 CO 0.18 0.38 1.10 -0.76 -0.69 0.00 0.00 174.62 174.83 3lml s LEU 261 N 1.17 2.86 0.22 4.42 1.43 -0.24 -0.13 118.68 128.40 3lml s LEU 261 Ca -0.05 1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 3lml s LEU 261 Cb -0.14 -3.92 0.34 0.00 0.03 0.00 0.00 46.19 42.50 3lml s LEU 261 CO -0.03 -1.43 1.75 -0.09 0.23 0.00 0.00 176.35 176.78 3lml h ARG 262 N -0.72 0.46 0.00 1.70 2.43 -1.52 0.17 114.38 116.89 3lml h ARG 262 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3lml h ARG 262 Cb 1.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3lml h ARG 262 CO 0.63 0.30 0.00 -0.40 -1.51 0.00 0.00 179.97 178.99 3lml n ASP 263 N -4.96 0.00 0.00 -3.80 5.68 -1.26 -4.80 116.55 107.41 3lml n ASP 263 Ca 0.11 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 3lml n ASP 263 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3lml n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lml n GLY 264 N -0.21 1.51 3.76 6.12 0.00 0.58 -5.03 105.19 111.91 3lml n GLY 264 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3lml n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lml s THR 265 N -2.73 2.23 -0.22 2.61 2.01 -1.25 -4.73 115.64 113.56 3lml s THR 265 Ca 0.00 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 3lml s THR 265 Cb 0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3lml s THR 265 CO 0.00 0.04 0.13 -0.63 -0.69 0.00 0.00 174.62 173.47 3lml s ILE 266 N -0.31 5.19 -0.28 1.82 1.01 -1.26 -1.08 121.20 126.29 3lml s ILE 266 Ca 0.59 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 3lml s ILE 266 Cb -0.46 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3lml s ILE 266 CO 0.50 0.39 0.03 -0.76 0.00 0.00 0.00 174.94 175.10 3lml s LEU 267 N 0.83 3.62 0.62 2.97 1.43 0.16 -5.02 118.68 123.28 3lml s LEU 267 Ca 0.07 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 3lml s LEU 267 Cb -0.13 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3lml s LEU 267 CO 0.02 -0.17 1.12 -1.61 0.23 0.00 0.00 176.35 175.94 3lml s GLU 268 N 1.43 3.00 0.31 1.70 2.02 -1.26 -1.74 118.70 124.15 3lml s GLU 268 Ca 0.01 1.48 0.09 0.00 0.02 0.00 0.00 54.97 56.57 3lml s GLU 268 Cb -0.17 -1.97 0.88 0.00 0.10 0.00 0.00 34.13 32.97 3lml s GLU 268 CO -0.00 -1.11 1.71 -1.00 0.02 0.00 0.00 175.26 174.88 3lml h PRO 269 N 0.45 0.47 0.00 0.39 0.13 -1.86 0.97 132.00 132.55 3lml h PRO 269 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3lml h PRO 269 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3lml h PRO 269 CO 0.55 0.31 0.00 -2.39 -0.23 0.00 0.00 178.00 176.24 3lml n HIS 270 N -4.96 0.15 -0.12 1.56 1.44 -1.26 -1.27 115.22 110.76 3lml n HIS 270 Ca 0.26 0.08 -0.15 0.00 -2.01 0.00 0.00 57.72 55.89 3lml n HIS 270 Cb 0.76 -0.62 -0.13 0.00 0.12 0.00 0.00 29.99 30.12 3lml n HIS 270 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3lml n GLN 271 N -1.65 0.66 0.28 -1.40 6.02 0.33 -4.20 117.38 117.41 3lml n GLN 271 Ca 0.00 0.10 0.16 0.00 -0.01 0.00 0.00 57.00 57.25 3lml n GLN 271 Cb 0.04 -1.52 0.90 0.00 1.02 0.00 0.00 30.24 30.68 3lml n GLN 271 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3lml h VAL 272 N 0.00 0.51 -0.99 5.09 2.07 0.07 -1.45 116.25 121.56 3lml h VAL 272 Ca -0.57 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.13 3lml h VAL 272 Cb 2.01 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 32.65 3lml h VAL 272 CO -0.05 0.00 0.61 -0.37 0.02 0.00 0.00 177.57 177.78 3lml h VAL 273 N 0.00 0.75 -0.44 2.57 -1.51 -1.58 -0.47 116.25 115.57 3lml h VAL 273 Ca 0.02 -0.26 0.09 0.00 -1.23 0.00 0.00 66.70 65.32 3lml h VAL 273 Cb 0.11 -0.08 -0.09 0.00 -2.13 0.00 0.00 31.29 29.10 3lml h VAL 273 CO -0.00 0.14 -0.19 0.00 -1.23 0.00 0.00 177.57 176.29 3lml h ALA 274 N 1.62 0.14 0.59 5.19 0.00 -1.53 0.49 119.26 125.76 3lml h ALA 274 Ca 0.54 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 3lml h ALA 274 Cb 0.84 0.48 0.01 0.00 0.00 0.00 0.00 17.79 19.12 3lml h ALA 274 CO -0.32 -0.54 -0.29 2.35 0.00 0.00 0.00 179.25 180.45 3lml h TRP 275 N -0.10 -0.74 -1.04 0.00 7.01 -1.26 -2.84 115.95 116.98 3lml h TRP 275 Ca 0.21 -0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.46 3lml h TRP 275 Cb 0.43 0.24 -0.10 0.00 -2.10 0.00 0.00 29.16 27.63 3lml h TRP 275 CO -0.45 -0.42 0.66 0.28 -2.79 0.00 0.00 178.44 175.72 3lml h VAL 276 N -0.93 0.51 0.52 2.65 2.07 -0.80 0.48 116.25 120.75 3lml h VAL 276 Ca -0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3lml h VAL 276 Cb 0.65 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3lml h VAL 276 CO 0.13 0.08 -0.29 0.00 0.02 0.00 0.00 177.57 177.52 3lml h ALA 277 N 1.65 -0.75 -0.00 1.67 0.00 0.12 0.55 119.26 122.50 3lml h ALA 277 Ca 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3lml h ALA 277 Cb 1.48 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3lml h ALA 277 CO -0.35 -0.93 0.00 0.78 0.00 0.00 0.00 179.25 178.75 3lml h GLY 278 N -0.75 0.00 0.75 0.00 0.00 -0.15 0.94 103.07 103.85 3lml h GLY 278 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3lml h GLY 278 CO 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.59 3lml h ALA 279 N 2.00 0.19 -0.18 3.60 0.00 0.73 -1.98 119.26 123.61 3lml h ALA 279 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3lml h ALA 279 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3lml h ALA 279 CO -0.00 -0.05 -0.53 0.22 0.00 0.00 0.00 179.25 178.88 3lml h ASP 280 N -0.05 0.59 0.77 0.00 1.82 -0.23 -2.48 116.42 116.84 3lml h ASP 280 Ca 0.03 -0.31 -0.06 0.00 -0.39 0.00 0.00 57.03 56.31 3lml h ASP 280 Cb 0.47 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 3lml h ASP 280 CO 0.01 1.01 -0.29 0.00 -1.61 0.00 0.00 179.24 178.37 3lml h ALA 281 N 1.00 1.07 0.00 -0.78 0.00 -0.80 -3.13 119.26 116.63 3lml h ALA 281 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3lml h ALA 281 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3lml h ALA 281 CO 0.10 0.36 -1.44 -1.13 0.00 0.00 0.00 179.25 177.14 3lml n SER 282 N -3.54 0.47 -4.64 0.00 3.41 -0.75 -3.50 113.62 105.07 3lml n SER 282 Ca -0.00 0.15 -0.45 0.00 -0.26 0.00 0.00 58.87 58.30 3lml n SER 282 Cb 0.44 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.51 3lml n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lml n ALA 283 N -2.19 0.44 -1.00 7.33 0.00 -0.94 -4.72 120.51 119.43 3lml n ALA 283 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3lml n ALA 283 Cb 0.55 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3lml n ALA 283 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3lml n SER 284 N 1.64 0.00 0.00 0.00 2.88 -1.26 -5.00 113.62 111.88 3lml n SER 284 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 3lml n SER 284 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3lml n SER 284 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3lml n LEU 286 N 0.00 0.00 -4.62 2.46 4.77 -1.26 -4.61 117.00 113.74 3lml n LEU 286 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3lml n LEU 286 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3lml n LEU 286 CO 0.00 0.00 -0.34 -0.54 -1.33 0.00 0.00 177.39 175.18 3lml s LYS 287 N 0.00 2.99 0.71 3.23 3.01 -1.26 -5.12 119.74 123.30 3lml s LYS 287 Ca 0.00 -0.48 -0.07 0.00 -1.01 0.00 0.00 55.97 54.41 3lml s LYS 287 Cb 0.00 -2.73 0.15 0.00 -1.01 0.00 0.00 37.83 34.24 3lml s LYS 287 CO 0.00 0.62 0.97 0.45 0.51 0.00 0.00 175.35 177.90 3lml n SER 288 N 2.37 0.61 -0.43 2.83 2.88 -1.26 -4.92 113.62 115.71 3lml n SER 288 Ca -0.18 -1.68 0.05 0.00 -1.33 0.00 0.00 58.87 55.73 3lml n SER 288 Cb 0.53 -0.69 0.05 0.00 -0.75 0.00 0.00 64.21 63.35 3lml n SER 288 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3lml n ASN 289 N -3.32 1.97 -4.76 -3.46 5.03 -1.26 -4.92 115.26 104.54 3lml n ASN 289 Ca 0.14 -1.49 -0.39 0.00 0.87 0.00 0.00 54.58 53.71 3lml n ASN 289 Cb 0.49 -0.02 0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3lml n ASN 289 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3lml s THR 290 N -0.87 2.02 -1.93 3.41 2.01 -1.26 -2.33 115.64 116.70 3lml s THR 290 Ca 0.13 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3lml s THR 290 Cb 0.09 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3lml s THR 290 CO 0.13 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.55 3lml n PHE 291 N -0.63 -0.31 -3.19 4.92 3.72 -0.28 -4.95 117.46 116.74 3lml n PHE 291 Ca 0.08 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 3lml n PHE 291 Cb 0.43 -3.44 -0.05 0.00 -0.94 0.00 0.00 39.48 35.48 3lml n PHE 291 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3lml s VAL 292 N -2.80 5.04 0.31 -4.37 1.01 -0.98 -4.76 120.40 113.85 3lml s VAL 292 Ca 0.00 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.96 3lml s VAL 292 Cb 0.00 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3lml s VAL 292 CO 0.00 0.34 0.90 -0.54 0.00 0.00 0.00 175.10 175.80 3lml s LYS 293 N 0.38 4.50 -0.87 2.72 1.02 -1.26 -1.44 119.74 124.78 3lml s LYS 293 Ca 0.32 1.22 -0.17 0.00 0.02 0.00 0.00 55.97 57.36 3lml s LYS 293 Cb -0.17 -2.78 0.16 0.00 -0.52 0.00 0.00 37.83 34.52 3lml s LYS 293 CO 0.15 0.28 0.97 -0.47 -0.92 0.00 0.00 175.35 175.37 3lml s TYR 294 N -1.63 3.34 0.03 3.18 6.14 -0.12 -4.97 117.35 123.31 3lml s TYR 294 Ca 0.50 -1.57 -0.37 0.00 0.64 0.00 0.00 57.07 56.27 3lml s TYR 294 Cb -0.18 -4.10 -0.16 0.00 0.42 0.00 0.00 41.96 37.95 3lml s TYR 294 CO 0.23 -1.30 1.49 -3.47 0.64 0.00 0.00 175.55 173.14 3lml n ASP 295 N 5.63 2.19 0.00 4.32 2.03 -1.26 -1.66 116.55 127.79 3lml n ASP 295 Ca 0.18 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.58 3lml n ASP 295 Cb 0.48 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 3lml n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lml n GLY 296 N 3.11 0.70 3.71 0.27 0.00 -1.26 -5.05 105.19 106.67 3lml n GLY 296 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3lml n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml s ALA 297 N -2.19 3.64 -1.35 4.61 0.00 -0.67 -1.30 121.76 124.51 3lml s ALA 297 Ca 0.00 -0.73 0.21 0.00 0.00 0.00 0.00 51.96 51.44 3lml s ALA 297 Cb 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 23.12 20.82 3lml s ALA 297 CO 0.00 0.11 0.94 0.44 0.00 0.00 0.00 175.76 177.25 3lml n ILE 298 N 3.64 0.00 -3.62 0.00 -5.35 0.82 -3.96 119.36 110.89 3lml n ILE 298 Ca -0.16 -0.12 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 3lml n ILE 298 Cb 0.52 1.10 -0.06 0.00 -1.74 0.00 0.00 39.64 39.46 3lml n ILE 298 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3lml s ASP 299 N -2.72 -0.36 -0.41 7.28 2.15 -1.09 -4.80 116.67 116.72 3lml s ASP 299 Ca 0.12 0.57 -0.21 0.00 0.43 0.00 0.00 52.55 53.46 3lml s ASP 299 Cb 0.16 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.34 3lml s ASP 299 CO 0.72 -0.21 0.67 0.00 -0.17 0.00 0.00 175.17 176.19 3lml s ALA 300 N -0.37 3.38 -0.18 3.66 0.00 -1.26 0.71 121.76 127.69 3lml s ALA 300 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3lml s ALA 300 Cb -0.03 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3lml s ALA 300 CO -0.04 -1.64 -0.16 0.95 0.00 0.00 0.00 175.76 174.86 3lml s THR 301 N 2.87 2.39 0.73 0.00 -4.23 -0.65 -2.55 115.64 114.20 3lml s THR 301 Ca 0.25 -0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 3lml s THR 301 Cb -0.14 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.73 3lml s THR 301 CO 0.18 0.51 1.08 -2.16 -0.54 0.00 0.00 174.62 173.70 3lml s PRO 302 N 1.25 2.38 0.38 3.99 0.04 -1.26 -1.81 135.00 139.98 3lml s PRO 302 Ca 0.03 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.18 3lml s PRO 302 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3lml s PRO 302 CO -0.09 -1.25 0.60 1.03 0.04 0.00 0.00 177.00 177.33 3lml s ARG 303 N -5.37 3.38 -0.06 4.56 0.52 -1.06 -4.67 118.95 116.25 3lml s ARG 303 Ca 0.59 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 3lml s ARG 303 Cb -0.11 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.75 3lml s ARG 303 CO 0.48 0.02 -0.14 -0.51 0.02 0.00 0.00 175.30 175.17 3lml s LEU 304 N -4.41 1.75 0.93 2.53 1.02 -1.26 -5.09 118.68 114.16 3lml s LEU 304 Ca 0.43 -0.33 -0.12 0.00 0.02 0.00 0.00 54.13 54.13 3lml s LEU 304 Cb -0.10 -0.89 0.15 0.00 0.02 0.00 0.00 46.19 45.37 3lml s LEU 304 CO 0.37 0.07 1.09 0.00 0.02 0.00 0.00 176.35 177.90 3lml s ALA 305 N 0.47 1.29 0.23 4.21 0.00 -1.26 -4.58 121.76 122.11 3lml s ALA 305 Ca -0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 3lml s ALA 305 Cb -0.15 -3.22 0.37 0.00 0.00 0.00 0.00 23.12 20.12 3lml s ALA 305 CO 0.04 -2.58 1.71 -0.91 0.00 0.00 0.00 175.76 174.02 3lml h ASN 306 N -1.71 0.07 -0.51 0.00 4.21 -2.00 0.20 115.58 115.83 3lml h ASN 306 Ca -0.50 0.12 -0.10 0.00 1.21 0.00 0.00 56.30 57.02 3lml h ASN 306 Cb 1.29 0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 38.62 3lml h ASN 306 CO 0.53 0.02 -0.07 -2.24 -1.29 0.00 0.00 177.43 174.38 3lml h ASP 307 N 0.30 0.97 -0.36 5.81 3.04 -1.98 0.09 116.42 124.29 3lml h ASP 307 Ca 0.36 -0.30 -0.06 0.00 -3.24 0.00 0.00 57.03 53.79 3lml h ASP 307 Cb 0.56 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 3lml h ASP 307 CO -0.43 1.07 -0.03 -0.33 -2.04 0.00 0.00 179.24 177.48 3lml h GLU 308 N 0.89 0.65 0.49 4.15 5.08 -1.58 -0.31 114.58 123.95 3lml h GLU 308 Ca 0.15 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3lml h GLU 308 Cb 0.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3lml h GLU 308 CO 0.04 0.78 -0.24 0.00 -1.00 0.00 0.00 179.01 178.59 3lml h ALA 309 N 0.85 -0.66 -1.00 3.43 0.00 -0.54 0.38 119.26 121.71 3lml h ALA 309 Ca 0.10 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.01 3lml h ALA 309 Cb 0.50 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 3lml h ALA 309 CO 0.02 -0.78 0.62 1.49 0.00 0.00 0.00 179.25 180.60 3lml h GLU 310 N -0.86 0.74 0.46 0.00 4.81 -1.00 0.17 114.58 118.91 3lml h GLU 310 Ca -0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3lml h GLU 310 Cb 0.59 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3lml h GLU 310 CO 0.11 0.49 -0.22 1.49 -0.73 0.00 0.00 179.01 180.15 3lml h GLU 311 N 0.76 -0.59 -0.23 1.92 4.57 -0.64 -2.32 114.58 118.06 3lml h GLU 311 Ca 0.56 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.84 3lml h GLU 311 Cb 0.88 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.54 3lml h GLU 311 CO -0.35 -0.36 -0.23 0.00 -1.18 0.00 0.00 179.01 176.89 3lml h ALA 312 N -0.17 -0.12 -0.95 2.92 0.00 0.19 -1.07 119.26 120.07 3lml h ALA 312 Ca -0.06 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3lml h ALA 312 Cb 0.51 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3lml h ALA 312 CO 0.10 -0.66 0.59 -0.07 0.00 0.00 0.00 179.25 179.21 3lml h LEU 313 N -0.24 0.86 -2.09 0.00 3.38 -0.75 0.13 115.31 116.61 3lml h LEU 313 Ca 0.13 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3lml h LEU 313 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3lml h LEU 313 CO -0.37 0.47 0.15 -0.61 0.09 0.00 0.00 178.44 178.18 3lml h GLN 314 N 0.95 0.00 -0.65 1.13 5.75 -0.62 -0.16 115.11 121.51 3lml h GLN 314 Ca 0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 3lml h GLN 314 Cb 0.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 3lml h GLN 314 CO -0.26 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.01 3lml n ASN 315 N -4.29 4.53 -2.75 -0.69 5.03 0.42 -4.94 115.26 112.57 3lml n ASN 315 Ca 0.02 -2.45 -0.14 0.00 0.87 0.00 0.00 54.58 52.88 3lml n ASN 315 Cb 0.29 -0.57 0.06 0.00 -1.02 0.00 0.00 39.78 38.54 3lml n ASN 315 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lml n GLY 316 N 1.05 -0.14 3.56 7.41 0.00 -0.07 -4.90 105.19 112.10 3lml n GLY 316 Ca 0.24 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3lml n GLY 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 317 N -5.25 3.21 -0.67 1.61 2.02 -0.96 -3.64 118.70 115.02 3lml s GLU 317 Ca 0.12 -0.51 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 3lml s GLU 317 Cb -0.05 -2.78 0.05 0.00 0.10 0.00 0.00 34.13 31.45 3lml s GLU 317 CO 0.53 0.48 1.08 0.12 0.02 0.00 0.00 175.26 177.49 3lml s PHE 318 N -0.29 2.55 0.04 1.61 2.19 0.97 -4.44 117.98 120.59 3lml s PHE 318 Ca 0.05 -0.28 0.03 0.00 0.33 0.00 0.00 56.93 57.06 3lml s PHE 318 Cb -0.13 -4.40 -0.04 0.00 -1.31 0.00 0.00 43.02 37.15 3lml s PHE 318 CO 0.02 -1.76 -0.00 0.14 1.83 0.00 0.00 175.22 175.44 3lml s VAL 319 N 4.67 4.06 -0.14 3.12 -7.23 -1.26 -1.47 120.40 122.14 3lml s VAL 319 Ca 0.28 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3lml s VAL 319 Cb -0.13 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 3lml s VAL 319 CO 0.13 0.26 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.37 3lml s LEU 320 N -1.89 3.14 0.06 1.32 1.43 -1.26 -1.01 118.68 120.47 3lml s LEU 320 Ca 0.22 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3lml s LEU 320 Cb -0.12 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3lml s LEU 320 CO 0.14 0.19 -0.26 0.42 0.23 0.00 0.00 176.35 177.06 3lml s THR 321 N 0.25 2.12 -0.23 5.49 -4.23 -0.27 -4.81 115.64 113.97 3lml s THR 321 Ca -0.04 -1.43 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 3lml s THR 321 Cb -0.14 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3lml s THR 321 CO 0.03 0.31 0.42 0.12 -0.54 0.00 0.00 174.62 174.96 3lml s PHE 322 N -0.84 3.33 -0.53 3.99 5.36 -1.26 -1.27 117.98 126.74 3lml s PHE 322 Ca 0.12 0.58 -0.17 0.00 -0.96 0.00 0.00 56.93 56.49 3lml s PHE 322 Cb -0.10 -2.57 0.10 0.00 -0.34 0.00 0.00 43.02 40.11 3lml s PHE 322 CO 0.03 -0.11 0.56 0.34 -1.46 0.00 0.00 175.22 174.58 3lml s ASP 323 N 1.26 6.18 0.62 6.13 2.15 -0.24 -4.91 116.67 127.87 3lml s ASP 323 Ca 0.19 -1.45 0.36 0.00 0.43 0.00 0.00 52.55 52.08 3lml s ASP 323 Cb -0.15 -2.24 2.07 0.00 -0.30 0.00 0.00 42.92 42.30 3lml s ASP 323 CO 0.09 -0.89 2.30 0.00 -0.17 0.00 0.00 175.17 176.50 3lml h ALA 324 N 8.96 1.30 0.88 3.66 0.00 -1.96 0.48 119.26 132.58 3lml h ALA 324 Ca -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3lml h ALA 324 Cb 1.10 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3lml h ALA 324 CO 1.01 0.00 -0.42 -0.09 0.00 0.00 0.00 179.25 179.75 3lml h ARG 325 N 0.00 -1.14 -0.01 0.00 9.65 -1.95 -3.20 114.38 117.73 3lml h ARG 325 Ca -0.00 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3lml h ARG 325 Cb 0.01 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3lml h ARG 325 CO 0.00 -0.76 -0.23 -3.47 2.80 0.00 0.00 179.97 178.31 3lml n ASP 326 N -5.53 1.13 -3.55 -3.80 2.03 -1.14 -4.98 116.55 100.71 3lml n ASP 326 Ca -0.15 -1.00 -0.23 0.00 0.52 0.00 0.00 54.79 53.94 3lml n ASP 326 Cb 0.47 0.13 0.03 0.00 -0.72 0.00 0.00 41.12 41.02 3lml n ASP 326 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lml n LYS 327 N -0.51 -1.34 -3.53 -0.67 5.02 0.17 -5.02 118.16 112.28 3lml n LYS 327 Ca 0.13 0.74 -0.17 0.00 -2.02 0.00 0.00 58.31 57.00 3lml n LYS 327 Cb 0.35 -4.19 -0.06 0.00 -0.02 0.00 0.00 35.03 31.11 3lml n LYS 327 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lml s ALA 328 N -3.28 -1.64 -0.06 7.82 0.00 -1.09 -4.96 121.76 118.56 3lml s ALA 328 Ca 0.29 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 3lml s ALA 328 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3lml s ALA 328 CO 0.84 -0.42 0.09 0.54 0.00 0.00 0.00 175.76 176.81 3lml s VAL 329 N -1.61 4.96 0.18 0.00 0.11 -1.25 -1.07 120.40 121.71 3lml s VAL 329 Ca -0.09 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 3lml s VAL 329 Cb -0.01 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 3lml s VAL 329 CO 0.06 0.50 0.18 -0.72 -3.33 0.00 0.00 175.10 171.79 3lml s TYR 330 N -1.08 0.85 -0.07 1.54 1.13 -0.40 -0.95 117.35 118.37 3lml s TYR 330 Ca 0.18 -1.16 -0.30 0.00 -1.41 0.00 0.00 57.07 54.39 3lml s TYR 330 Cb -0.12 -0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.35 3lml s TYR 330 CO 0.08 -0.66 1.18 0.08 -2.51 0.00 0.00 175.55 173.72 3lml s VAL 331 N -4.08 4.32 0.19 -3.49 1.01 -0.52 -1.12 120.40 116.70 3lml s VAL 331 Ca 0.29 1.63 -0.08 0.00 0.00 0.00 0.00 61.98 63.82 3lml s VAL 331 Cb 0.06 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.42 3lml s VAL 331 CO 0.07 -0.02 1.60 -0.33 0.00 0.00 0.00 175.10 176.42 3lml h GLU 332 N 7.49 0.95 -1.29 2.72 4.39 -1.41 -0.74 114.58 126.69 3lml h GLU 332 Ca -0.33 -0.37 0.14 0.00 0.34 0.00 0.00 59.36 59.15 3lml h GLU 332 Cb 1.15 -0.05 -0.27 0.00 -0.10 0.00 0.00 28.75 29.48 3lml h GLU 332 CO 0.89 1.03 0.38 -1.14 -1.16 0.00 0.00 179.01 179.01 3lml s GLN 333 N -4.75 0.31 -1.15 2.33 0.74 -1.26 -4.69 119.66 111.19 3lml s GLN 333 Ca -0.11 0.60 -0.22 0.00 0.05 0.00 0.00 55.36 55.68 3lml s GLN 333 Cb 0.13 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 3lml s GLN 333 CO 0.86 -0.08 1.88 0.34 -0.55 0.00 0.00 175.29 177.74 3lml s ASP 334 N 1.64 5.44 0.38 6.67 2.15 -1.26 -4.67 116.67 127.02 3lml s ASP 334 Ca -0.07 -1.63 0.08 0.00 0.43 0.00 0.00 52.55 51.36 3lml s ASP 334 Cb -0.04 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.93 3lml s ASP 334 CO -0.15 -2.61 0.02 -0.76 -0.17 0.00 0.00 175.17 171.50 3lml s LEU 335 N 9.37 2.91 0.42 -1.34 1.43 -1.26 -0.54 118.68 129.66 3lml s LEU 335 Ca 0.65 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3lml s LEU 335 Cb -0.01 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 3lml s LEU 335 CO 0.09 -0.37 0.03 0.54 0.23 0.00 0.00 176.35 176.87 3lml s ASN 336 N -3.72 3.54 0.40 2.29 6.03 -0.87 -4.64 114.94 117.96 3lml s ASN 336 Ca 0.35 -1.47 0.26 0.00 -1.03 0.00 0.00 52.86 50.98 3lml s ASN 336 Cb 0.05 -0.04 1.43 0.00 -3.03 0.00 0.00 41.25 39.66 3lml s ASN 336 CO 0.19 -0.62 1.80 0.77 -2.03 0.00 0.00 177.10 177.21 3lml h SER 337 N 1.74 0.00 -2.42 3.54 4.64 -1.01 -3.42 113.55 116.63 3lml h SER 337 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 3lml h SER 337 Cb 1.26 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3lml h SER 337 CO 0.75 0.00 1.14 -0.11 -0.87 0.00 0.00 176.83 177.74 3lml n LEU 338 N -2.43 4.01 0.00 5.97 7.94 -1.17 -2.97 117.00 128.36 3lml n LEU 338 Ca -0.02 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3lml n LEU 338 Cb 0.06 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.48 3lml n LEU 338 CO 0.12 0.16 -0.36 0.35 -1.11 0.00 0.00 177.39 176.54 3lml n THR 339 N 4.93 0.00 -2.70 1.96 -2.24 -1.26 -4.72 114.28 110.25 3lml n THR 339 Ca 0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 3lml n THR 339 Cb 0.37 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3lml n THR 339 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3lml s THR 340 N -1.81 4.71 0.44 4.28 -4.23 -1.26 -5.04 115.64 112.73 3lml s THR 340 Ca 0.00 1.96 0.07 0.00 -1.18 0.00 0.00 61.69 62.54 3lml s THR 340 Cb 0.00 -4.28 -0.02 0.00 1.34 0.00 0.00 72.50 69.54 3lml s THR 340 CO 0.00 -0.16 0.32 -0.36 -0.54 0.00 0.00 174.62 173.89 3lml s PHE 341 N 3.10 2.45 0.00 3.99 0.08 -1.26 -5.06 117.98 121.28 3lml s PHE 341 Ca 0.43 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3lml s PHE 341 Cb -0.15 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 3lml s PHE 341 CO 0.07 -0.10 0.00 -1.13 -0.10 0.00 0.00 175.22 173.95 3lml n SER 342 N -1.50 2.10 -0.12 1.36 3.41 -0.49 -5.04 113.62 113.35 3lml n SER 342 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.37 3lml n SER 342 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.50 3lml n SER 342 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3lml n LYS 343 N 0.00 0.51 -0.13 4.33 2.85 -1.26 -4.37 118.16 120.09 3lml n LYS 343 Ca 0.00 0.22 -0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3lml n LYS 343 Cb 0.00 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 3lml n LYS 343 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3lml h GLU 344 N -0.83 0.66 -3.68 -1.58 3.07 -2.02 -3.33 114.58 106.86 3lml h GLU 344 Ca -0.60 -0.21 -0.75 0.00 -0.50 0.00 0.00 59.36 57.29 3lml h GLU 344 Cb 1.54 -0.06 -0.30 0.00 -0.84 0.00 0.00 28.75 29.09 3lml h GLU 344 CO -0.36 0.76 -0.07 0.21 -1.40 0.00 0.00 179.01 178.16 3lml s LYS 345 N -5.00 3.23 0.00 2.33 2.20 -1.26 -4.98 119.74 116.26 3lml s LYS 345 Ca -0.13 -2.58 0.00 0.00 -0.36 0.00 0.00 55.97 52.90 3lml s LYS 345 Cb 0.10 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 3lml s LYS 345 CO 0.79 -1.24 0.00 -1.13 -0.36 0.00 0.00 175.35 173.40 3lml n SER 346 N 3.62 -0.75 0.00 1.43 3.41 -1.25 -1.39 113.62 118.68 3lml n SER 346 Ca 0.13 -0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.36 3lml n SER 346 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 3lml n SER 346 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3lml h SER 347 N -0.75 0.36 0.00 4.04 0.87 -1.95 -3.32 113.55 112.79 3lml h SER 347 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 3lml h SER 347 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3lml h SER 347 CO 0.00 1.58 0.18 0.29 -0.53 0.00 0.00 176.83 178.35 3lml n LYS 348 N -3.97 0.11 0.25 2.24 4.01 -1.26 -1.21 118.16 118.32 3lml n LYS 348 Ca -0.24 0.59 0.11 0.00 -0.51 0.00 0.00 58.31 58.26 3lml n LYS 348 Cb 0.87 -2.03 0.65 0.00 -0.51 0.00 0.00 35.03 34.02 3lml n LYS 348 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3lml h PHE 349 N 0.00 0.00 -0.11 2.13 0.04 -1.94 -2.48 116.94 114.58 3lml h PHE 349 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3lml h PHE 349 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3lml h PHE 349 CO 0.00 0.15 -0.32 0.07 -0.60 0.00 0.00 178.31 177.61 3lml h ARG 350 N 0.00 0.20 -6.78 1.51 0.11 -1.41 -3.42 114.38 104.59 3lml h ARG 350 Ca -0.00 -0.08 -0.52 0.00 0.10 0.00 0.00 59.98 59.48 3lml h ARG 350 Cb 0.36 -0.01 0.04 0.00 1.11 0.00 0.00 29.97 31.47 3lml h ARG 350 CO 0.02 0.51 0.63 0.15 0.10 0.00 0.00 179.97 181.38 3lml s LYS 351 N -4.32 4.40 0.40 0.08 1.02 -0.93 -2.05 119.74 118.34 3lml s LYS 351 Ca -0.04 2.10 0.22 0.00 0.02 0.00 0.00 55.97 58.26 3lml s LYS 351 Cb 0.14 -3.14 0.42 0.00 -0.52 0.00 0.00 37.83 34.74 3lml s LYS 351 CO 0.75 -0.17 1.62 -0.91 -0.92 0.00 0.00 175.35 175.72 3lml h ASN 352 N 4.37 0.00 -0.52 2.83 2.35 -1.10 -2.73 115.58 120.79 3lml h ASN 352 Ca -0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.19 3lml h ASN 352 Cb 1.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3lml h ASN 352 CO 0.71 0.18 -0.04 0.50 -1.65 0.00 0.00 177.43 177.14 3lml h LYS 353 N 0.00 0.97 0.02 0.81 3.64 -1.92 -0.63 116.57 119.46 3lml h LYS 353 Ca -0.00 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3lml h LYS 353 Cb 1.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3lml h LYS 353 CO 0.02 0.98 -0.01 0.82 -2.27 0.00 0.00 179.45 179.00 3lml h ILE 354 N 0.89 1.36 -0.14 2.00 1.08 -1.82 -3.20 117.51 117.67 3lml h ILE 354 Ca 0.15 -1.16 0.05 0.00 -0.39 0.00 0.00 64.86 63.51 3lml h ILE 354 Cb 0.57 2.13 -0.07 0.00 -3.07 0.00 0.00 36.82 36.39 3lml h ILE 354 CO 0.03 0.30 -0.40 -1.28 -0.69 0.00 0.00 178.15 176.11 3lml h SER 355 N -0.53 -1.26 -0.93 1.72 0.87 -1.27 -2.06 113.55 110.09 3lml h SER 355 Ca -0.00 0.17 0.16 0.00 -1.23 0.00 0.00 61.79 60.89 3lml h SER 355 Cb 0.50 0.52 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 3lml h SER 355 CO 0.00 -0.41 0.53 0.03 -0.53 0.00 0.00 176.83 176.45 3lml h ARG 356 N -0.47 0.70 -0.73 2.24 3.08 -1.21 0.35 114.38 118.34 3lml h ARG 356 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3lml h ARG 356 Cb 0.61 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3lml h ARG 356 CO -0.40 0.46 0.21 0.82 -1.07 0.00 0.00 179.97 180.00 3lml h ILE 357 N 0.72 1.26 0.30 2.04 2.04 -1.43 0.35 117.51 122.80 3lml h ILE 357 Ca 0.51 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3lml h ILE 357 Cb 0.74 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3lml h ILE 357 CO -0.36 0.36 -0.15 -0.07 0.00 0.00 0.00 178.15 177.94 3lml h LEU 358 N 1.10 -0.34 -0.26 1.44 3.38 -0.40 -2.71 115.31 117.52 3lml h LEU 358 Ca 0.23 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3lml h LEU 358 Cb 0.32 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 3lml h LEU 358 CO -0.00 0.13 -0.45 0.44 0.09 0.00 0.00 178.44 178.64 3lml h ASP 359 N -1.07 -1.46 -0.47 -0.43 3.32 -0.41 -1.68 116.42 114.22 3lml h ASP 359 Ca -0.04 0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3lml h ASP 359 Cb 0.39 0.61 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 3lml h ASP 359 CO 0.07 -0.41 -0.28 0.61 -1.72 0.00 0.00 179.24 177.51 3lml n GLY 360 N -1.42 -2.63 0.40 2.75 0.00 0.12 -0.19 105.19 104.23 3lml n GLY 360 Ca -0.03 0.82 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 3lml n GLY 360 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lml h ILE 361 N 0.00 0.11 -0.83 -0.61 2.04 -1.10 0.32 117.51 117.44 3lml h ILE 361 Ca 0.08 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.14 3lml h ILE 361 Cb 0.19 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 3lml h ILE 361 CO -0.44 0.00 0.57 -1.13 0.00 0.00 0.00 178.15 177.15 3lml h ASN 362 N -0.41 0.25 1.26 1.72 -0.73 -0.11 1.37 115.58 118.93 3lml h ASN 362 Ca 0.10 0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.17 3lml h ASN 362 Cb 0.61 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 3lml h ASN 362 CO -0.51 0.10 -0.77 0.78 -0.37 0.00 0.00 177.43 176.67 3lml h ASN 363 N 0.25 0.00 0.90 1.15 2.35 0.14 -3.03 115.58 117.34 3lml h ASN 363 Ca 0.42 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.97 3lml h ASN 363 Cb 1.24 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 3lml h ASN 363 CO -0.10 0.57 -1.18 0.44 -1.65 0.00 0.00 177.43 175.51 3lml h ASP 364 N 0.00 0.00 -0.34 5.81 5.19 0.30 -2.36 116.42 125.03 3lml h ASP 364 Ca -0.04 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.23 3lml h ASP 364 Cb 1.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.97 3lml h ASP 364 CO 0.07 0.78 -0.29 0.74 -3.12 0.00 0.00 179.24 177.41 3lml h THR 365 N 0.00 1.27 0.17 0.35 2.02 0.16 -1.05 112.91 115.83 3lml h THR 365 Ca -0.12 -1.45 -0.25 0.00 0.77 0.00 0.00 66.41 65.36 3lml h THR 365 Cb 1.70 1.28 0.03 0.00 -1.74 0.00 0.00 68.15 69.42 3lml h THR 365 CO 0.08 0.49 -1.09 -0.09 0.37 0.00 0.00 175.52 175.28 3lml h ARG 366 N 0.73 0.43 -0.18 6.66 2.43 -1.60 -3.21 114.38 119.65 3lml h ARG 366 Ca 0.08 -0.70 -0.12 0.00 -0.81 0.00 0.00 59.98 58.43 3lml h ARG 366 Cb 0.85 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3lml h ARG 366 CO 0.07 1.32 -0.36 -0.09 -1.51 0.00 0.00 179.97 179.40 3lml h ARG 367 N -0.10 0.56 -0.98 0.20 2.43 -1.47 -2.38 114.38 112.64 3lml h ARG 367 Ca -0.18 -0.37 0.04 0.00 -0.81 0.00 0.00 59.98 58.66 3lml h ARG 367 Cb 1.84 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.38 3lml h ARG 367 CO 0.21 0.98 0.64 -0.91 -1.51 0.00 0.00 179.97 179.37 3lml h ASN 368 N 0.22 1.07 0.51 -3.80 -0.26 -1.34 -1.88 115.58 110.10 3lml h ASN 368 Ca 0.00 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 3lml h ASN 368 Cb 0.96 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3lml h ASN 368 CO 0.08 0.73 -0.25 0.40 -1.06 0.00 0.00 177.43 177.33 3lml h ILE 369 N 1.24 0.34 -0.83 2.81 1.08 -1.55 -2.73 117.51 117.86 3lml h ILE 369 Ca 0.39 -0.42 0.20 0.00 -0.39 0.00 0.00 64.86 64.64 3lml h ILE 369 Cb 0.01 0.48 -0.12 0.00 -3.07 0.00 0.00 36.82 34.11 3lml h ILE 369 CO -0.13 0.05 0.28 -0.07 -0.69 0.00 0.00 178.15 177.60 3lml h LEU 370 N -1.00 0.16 -0.16 1.44 3.38 -1.28 0.51 115.31 118.35 3lml h LEU 370 Ca -0.07 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3lml h LEU 370 Cb 0.61 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3lml h LEU 370 CO 0.12 -0.04 0.03 0.44 0.09 0.00 0.00 178.44 179.08 3lml h ASP 371 N 0.32 0.00 -0.96 -0.43 3.45 -1.34 -0.62 116.42 116.86 3lml h ASP 371 Ca 0.50 0.03 0.02 0.00 0.43 0.00 0.00 57.03 58.01 3lml h ASP 371 Cb 0.92 0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.68 3lml h ASP 371 CO -0.54 0.03 0.63 0.00 -1.57 0.00 0.00 179.24 177.78 3lml h ALA 372 N 1.12 1.24 0.48 3.45 0.00 -0.70 0.12 119.26 124.98 3lml h ALA 372 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3lml h ALA 372 Cb 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3lml h ALA 372 CO -0.10 0.55 -0.27 0.82 0.00 0.00 0.00 179.25 180.25 3lml h ILE 373 N 1.25 0.00 0.00 0.00 1.08 -0.26 0.49 117.51 120.06 3lml h ILE 373 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 3lml h ILE 373 Cb -0.07 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.68 3lml h ILE 373 CO -0.10 0.00 0.00 2.29 -0.69 0.00 0.00 178.15 179.65 3lml n LYS 374 N -4.03 0.53 -0.08 2.37 2.85 -0.31 -1.72 118.16 117.77 3lml n LYS 374 Ca -0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 3lml n LYS 374 Cb 0.29 -1.20 -0.08 0.00 -0.65 0.00 0.00 35.03 33.39 3lml n LYS 374 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3lml n GLU 375 N -0.70 0.61 0.24 -1.58 0.00 0.02 -4.03 120.64 115.20 3lml n GLU 375 Ca 0.05 0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.42 3lml n GLU 375 Cb 0.02 -1.33 0.54 0.00 0.00 0.00 0.00 31.44 30.67 3lml n GLU 375 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3lml h ARG 376 N 0.00 0.00 -0.00 5.31 9.65 -0.40 -2.28 114.38 126.66 3lml h ARG 376 Ca -0.37 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.33 3lml h ARG 376 Cb 1.60 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.17 3lml h ARG 376 CO -0.05 0.15 -0.82 -0.22 2.80 0.00 0.00 179.97 181.83 3lml h LYS 377 N 0.00 0.11 0.00 0.20 3.64 -1.53 0.82 116.57 119.81 3lml h LYS 377 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3lml h LYS 377 Cb 0.65 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3lml h LYS 377 CO 0.02 0.86 0.00 -0.25 -2.27 0.00 0.00 179.45 177.81 3lml n ASP 378 N -3.65 0.70 -0.86 4.20 10.43 -0.86 -1.62 116.55 124.89 3lml n ASP 378 Ca -0.02 0.64 0.09 0.00 2.57 0.00 0.00 54.79 58.07 3lml n ASP 378 Cb 0.77 -0.80 0.13 0.00 1.84 0.00 0.00 41.12 43.07 3lml n ASP 378 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3lml n ALA 379 N -1.77 2.42 -2.89 2.24 0.00 -1.17 -4.96 120.51 114.38 3lml n ALA 379 Ca 0.03 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 3lml n ALA 379 Cb 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.10 3lml n ALA 379 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3lml n ASN 380 N 1.11 -4.92 -2.08 0.00 4.05 -0.64 -4.92 115.26 107.85 3lml n ASN 380 Ca 0.14 -0.24 -0.07 0.00 0.45 0.00 0.00 54.58 54.86 3lml n ASN 380 Cb 0.50 -3.73 0.06 0.00 1.23 0.00 0.00 39.78 37.83 3lml n ASN 380 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3lml n THR 381 N -4.19 1.64 -0.85 -0.44 -1.04 0.26 -5.02 114.28 104.64 3lml n THR 381 Ca -0.07 -3.14 -0.32 0.00 -2.04 0.00 0.00 64.05 58.48 3lml n THR 381 Cb 0.58 0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 69.28 3lml n THR 381 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3lml n ASP 382 N -0.55 -0.23 -4.60 8.00 9.92 -1.09 -4.72 116.55 123.28 3lml n ASP 382 Ca 0.21 0.67 -0.43 0.00 -0.53 0.00 0.00 54.79 54.71 3lml n ASP 382 Cb 0.89 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 3lml n ASP 382 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3lml s ILE 383 N -0.18 3.38 0.63 0.53 1.01 -1.26 -4.96 121.20 120.35 3lml s ILE 383 Ca 0.48 0.39 -0.19 0.00 0.00 0.00 0.00 60.65 61.34 3lml s ILE 383 Cb -0.68 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3lml s ILE 383 CO 0.33 -0.30 1.29 -2.16 0.00 0.00 0.00 174.94 174.10 3lml s PRO 384 N 5.69 2.66 -0.42 2.79 0.04 -1.26 -4.91 135.00 139.59 3lml s PRO 384 Ca 0.84 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.91 3lml s PRO 384 Cb -0.25 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.51 3lml s PRO 384 CO 0.34 -1.51 2.52 0.00 0.04 0.00 0.00 177.00 178.39 3lml n ALA 385 N -1.77 6.04 -3.00 8.56 0.00 -1.26 -3.75 120.51 125.33 3lml n ALA 385 Ca 0.15 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.96 3lml n ALA 385 Cb 0.48 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3lml n ALA 385 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lml n ASP 386 N 0.66 1.02 0.07 0.00 3.85 -1.26 -4.89 116.55 116.00 3lml n ASP 386 Ca 0.44 0.00 -0.08 0.00 -0.71 0.00 0.00 54.79 54.43 3lml n ASP 386 Cb 0.56 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.37 3lml n ASP 386 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3lml h GLU 387 N 0.00 0.30 -0.21 0.11 4.11 -2.00 -2.86 114.58 114.03 3lml h GLU 387 Ca 0.00 -0.26 -0.10 0.00 0.07 0.00 0.00 59.36 59.07 3lml h GLU 387 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3lml h GLU 387 CO 0.00 0.92 -0.30 -0.91 0.07 0.00 0.00 179.01 178.80 3lml h ASN 388 N 0.19 0.42 -0.15 3.06 4.21 -1.96 -1.38 115.58 119.97 3lml h ASN 388 Ca -0.03 -0.15 -0.04 0.00 1.21 0.00 0.00 56.30 57.29 3lml h ASN 388 Cb 1.33 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3lml h ASN 388 CO 0.12 0.70 -0.05 1.23 -1.29 0.00 0.00 177.43 178.14 3lml h GLY 389 N 1.05 0.32 0.72 2.83 0.00 -1.64 -2.11 103.07 104.25 3lml h GLY 389 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3lml h GLY 389 CO 0.05 0.25 -0.28 -2.08 0.00 0.00 0.00 176.54 174.49 3lml h VAL 390 N -0.02 0.42 -0.65 4.60 2.07 -1.33 -2.00 116.25 119.34 3lml h VAL 390 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 3lml h VAL 390 Cb 0.50 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 3lml h VAL 390 CO 0.02 0.00 0.21 -0.61 0.02 0.00 0.00 177.57 177.21 3lml h GLN 391 N -0.60 0.36 0.34 1.57 -0.00 -1.29 0.19 115.11 115.67 3lml h GLN 391 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3lml h GLN 391 Cb 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.91 3lml h GLN 391 CO -0.04 0.24 -0.51 0.35 0.00 0.00 0.00 178.83 178.86 3lml h PHE 392 N 0.37 -1.44 -0.52 3.99 3.57 -1.00 0.91 116.94 122.81 3lml h PHE 392 Ca 0.34 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.93 3lml h PHE 392 Cb 0.47 0.59 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 3lml h PHE 392 CO -0.19 -0.64 0.21 0.82 -2.23 0.00 0.00 178.31 176.28 3lml h ILE 393 N -0.89 0.86 -0.25 1.41 2.04 -0.80 -2.42 117.51 117.45 3lml h ILE 393 Ca -0.04 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3lml h ILE 393 Cb 0.82 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3lml h ILE 393 CO -0.16 0.07 -0.11 0.25 0.00 0.00 0.00 178.15 178.20 3lml h LEU 394 N 0.41 -0.37 -1.36 1.44 5.85 -0.24 0.39 115.31 121.43 3lml h LEU 394 Ca 0.25 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3lml h LEU 394 Cb 0.24 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3lml h LEU 394 CO -0.23 -0.14 0.00 -0.24 -0.34 0.00 0.00 178.44 177.49 3lml n SER 395 N -5.28 0.00 0.00 1.25 2.88 0.28 -1.08 113.62 111.67 3lml n SER 395 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3lml n SER 395 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3lml n SER 395 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lml n GLN 397 N 0.64 0.00 -0.11 -1.46 1.13 0.13 -2.47 117.38 115.24 3lml n GLN 397 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 3lml n GLN 397 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 3lml n GLN 397 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3lml h THR 398 N 0.00 0.92 -0.70 5.09 2.02 -1.33 0.22 112.91 119.13 3lml h THR 398 Ca 0.00 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 67.17 3lml h THR 398 Cb 0.00 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 3lml h THR 398 CO 0.00 0.06 0.34 0.00 0.37 0.00 0.00 175.52 176.28 3lml h ALA 399 N 1.22 0.97 0.62 6.16 0.00 -1.74 0.66 119.26 127.15 3lml h ALA 399 Ca 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3lml h ALA 399 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3lml h ALA 399 CO -0.15 -0.08 -0.37 -0.92 0.00 0.00 0.00 179.25 177.74 3lml h TYR 400 N 0.57 -0.97 -0.37 0.00 3.20 -1.48 -1.47 116.97 116.44 3lml h TYR 400 Ca 0.35 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.28 3lml h TYR 400 Cb 0.39 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 3lml h TYR 400 CO -0.12 -0.56 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.64 3lml h LEU 401 N -0.93 -0.44 -1.01 2.82 -0.00 0.04 -1.17 115.31 114.62 3lml h LEU 401 Ca -0.08 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.95 3lml h LEU 401 Cb 0.75 0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 41.62 3lml h LEU 401 CO 0.09 -0.16 0.66 0.78 -0.00 0.00 0.00 178.44 179.82 3lml h ASN 402 N -0.05 1.12 -0.56 -0.43 2.35 -0.80 -1.71 115.58 115.51 3lml h ASN 402 Ca 0.18 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3lml h ASN 402 Cb 0.32 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3lml h ASN 402 CO -0.40 0.78 0.30 -0.33 -1.65 0.00 0.00 177.43 176.12 3lml h GLU 403 N 1.30 0.55 0.00 0.81 4.39 -0.14 -0.33 114.58 121.16 3lml h GLU 403 Ca 0.39 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 3lml h GLU 403 Cb -0.04 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3lml h GLU 403 CO -0.11 0.36 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.93 3lml h LEU 404 N 0.57 0.00 -0.11 1.33 3.38 -0.47 -0.70 115.31 119.31 3lml h LEU 404 Ca 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 3lml h LEU 404 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3lml h LEU 404 CO -0.16 0.10 -0.43 -0.61 0.09 0.00 0.00 178.44 177.43 3lml h GLN 405 N 0.00 0.48 -0.80 1.13 4.15 -0.57 0.19 115.11 119.70 3lml h GLN 405 Ca -0.00 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.01 3lml h GLN 405 Cb 0.18 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3lml h GLN 405 CO 0.01 1.00 0.36 -0.44 -1.93 0.00 0.00 178.83 177.83 3lml h ASP 406 N 0.07 1.07 0.39 -0.69 3.45 -0.70 -0.66 116.42 119.35 3lml h ASP 406 Ca -0.02 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3lml h ASP 406 Cb 1.07 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3lml h ASP 406 CO 0.09 0.93 0.00 -1.54 -1.57 0.00 0.00 179.24 177.15 3lml n SER 407 N -4.32 0.00 -0.01 6.45 3.41 -0.32 -4.88 113.62 113.96 3lml n SER 407 Ca 0.07 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3lml n SER 407 Cb 0.16 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3lml n SER 407 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lml n GLY 408 N 0.42 0.49 0.12 5.00 0.00 -0.25 -4.98 105.19 105.98 3lml n GLY 408 Ca 0.09 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3lml n GLY 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml n ALA 409 N -1.02 1.22 -2.75 4.61 0.00 0.65 -4.80 120.51 118.41 3lml n ALA 409 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 3lml n ALA 409 Cb 0.47 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 3lml n ALA 409 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3lml s ILE 410 N -2.55 0.59 0.32 0.00 -4.36 -1.12 -1.96 121.20 112.12 3lml s ILE 410 Ca -0.19 -1.22 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 3lml s ILE 410 Cb 0.07 -0.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.93 3lml s ILE 410 CO 0.76 -0.44 0.04 0.42 0.24 0.00 0.00 174.94 175.95 3lml s THR 411 N -1.70 1.26 -1.40 8.37 -4.23 -0.80 -4.09 115.64 113.05 3lml s THR 411 Ca -0.06 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 3lml s THR 411 Cb -0.08 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.05 3lml s THR 411 CO -0.00 -0.05 0.91 0.59 -0.54 0.00 0.00 174.62 175.53 3lml n ASN 412 N -0.67 -3.52 -4.55 3.99 3.02 -1.26 -4.33 115.26 107.93 3lml n ASN 412 Ca -0.03 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3lml n ASN 412 Cb 0.66 -4.20 -0.07 0.00 -0.61 0.00 0.00 39.78 35.56 3lml n ASN 412 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3lml s PHE 413 N -3.44 3.16 -0.46 3.10 5.36 -1.26 -4.91 117.98 119.52 3lml s PHE 413 Ca 0.37 0.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.36 3lml s PHE 413 Cb -0.18 -3.03 0.09 0.00 -0.34 0.00 0.00 43.02 39.56 3lml s PHE 413 CO 0.80 -0.61 0.36 0.34 -1.46 0.00 0.00 175.22 174.65 3lml s ASP 414 N 1.80 5.95 0.49 6.13 2.15 -1.26 -4.92 116.67 127.01 3lml s ASP 414 Ca 0.20 -1.50 0.08 0.00 0.43 0.00 0.00 52.55 51.76 3lml s ASP 414 Cb -0.15 -2.11 0.43 0.00 -0.30 0.00 0.00 42.92 40.79 3lml s ASP 414 CO 0.14 -0.65 1.14 0.28 -0.17 0.00 0.00 175.17 175.92 3lml h SER 415 N 8.64 0.00 0.00 -0.34 0.02 -1.97 -3.00 113.55 116.90 3lml h SER 415 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3lml h SER 415 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3lml h SER 415 CO 0.86 0.00 0.00 0.41 -1.14 0.00 0.00 176.83 176.96 3lml n THR 416 N -2.24 0.00 -2.75 -2.27 -1.04 -1.26 -4.63 114.28 100.09 3lml n THR 416 Ca -0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 3lml n THR 416 Cb 0.67 -0.12 0.01 0.00 -1.82 0.00 0.00 70.33 69.07 3lml n THR 416 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lml n ALA 417 N -0.74 5.72 -0.28 2.41 0.00 -1.15 -4.24 120.51 122.23 3lml n ALA 417 Ca 0.00 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.78 3lml n ALA 417 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3lml n ALA 417 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lml n ASP 418 N 0.16 0.00 -3.73 0.00 10.43 -1.14 -4.91 116.55 117.36 3lml n ASP 418 Ca 0.41 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.63 3lml n ASP 418 Cb 0.29 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.10 3lml n ASP 418 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3lml s ILE 419 N 0.00 -0.11 -0.02 0.53 1.10 -1.26 -0.80 121.20 120.64 3lml s ILE 419 Ca 0.00 0.24 -0.04 0.00 -0.51 0.00 0.00 60.65 60.34 3lml s ILE 419 Cb 0.00 -0.24 0.00 0.00 0.15 0.00 0.00 42.46 42.37 3lml s ILE 419 CO 0.00 0.10 0.09 0.42 -2.11 0.00 0.00 174.94 173.44 3lml s THR 420 N 1.49 0.03 0.01 4.00 -4.23 0.06 -4.91 115.64 112.09 3lml s THR 420 Ca -0.06 -0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.28 3lml s THR 420 Cb -0.12 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 3lml s THR 420 CO -0.06 -0.13 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.05 3lml s VAL 421 N -0.38 1.26 0.14 2.29 1.01 -1.26 -1.19 120.40 122.27 3lml s VAL 421 Ca -0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3lml s VAL 421 Cb -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3lml s VAL 421 CO 0.00 0.24 0.20 -1.54 0.00 0.00 0.00 175.10 174.00 3lml n SER 422 N 2.38 -0.54 -4.88 3.32 3.41 -0.56 -4.95 113.62 111.79 3lml n SER 422 Ca -0.16 -1.76 -0.33 0.00 -0.26 0.00 0.00 58.87 56.36 3lml n SER 422 Cb 0.54 1.02 -0.05 0.00 -0.26 0.00 0.00 64.21 65.46 3lml n SER 422 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lml s LEU 423 N 0.00 4.27 0.00 1.04 2.01 -1.26 -1.80 118.68 122.94 3lml s LEU 423 Ca 0.12 0.75 0.00 0.00 0.01 0.00 0.00 54.13 55.01 3lml s LEU 423 Cb -0.00 -3.29 0.00 0.00 0.01 0.00 0.00 46.19 42.91 3lml s LEU 423 CO 0.08 0.07 0.07 -3.20 1.01 0.00 0.00 176.35 174.38 3lml n ASN 424 N 0.34 0.10 0.00 2.29 5.15 0.10 -4.73 115.26 118.51 3lml n ASN 424 Ca -0.04 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 3lml n ASN 424 Cb 0.52 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3lml n ASN 424 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3lml n ASN 425 N 0.25 0.00 -0.34 1.20 3.02 -1.26 -4.21 115.26 113.91 3lml n ASN 425 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3lml n ASN 425 Cb 0.02 -0.31 0.10 0.00 -0.61 0.00 0.00 39.78 38.99 3lml n ASN 425 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lml n ASN 426 N 0.04 2.59 -4.08 6.41 3.02 -1.26 -4.98 115.26 117.00 3lml n ASN 426 Ca 0.00 -2.24 -0.35 0.00 -0.03 0.00 0.00 54.58 51.96 3lml n ASN 426 Cb 0.00 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3lml n ASN 426 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3lml n VAL 427 N -0.23 -0.15 -0.45 2.41 0.24 -1.26 -4.71 118.33 114.18 3lml n VAL 427 Ca 0.08 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3lml n VAL 427 Cb 0.43 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3lml n VAL 427 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3lml n ASP 428 N -2.04 1.16 -3.75 -1.34 5.75 -1.26 -4.80 116.55 110.28 3lml n ASP 428 Ca 0.04 -1.60 -0.03 0.00 -0.01 0.00 0.00 54.79 53.18 3lml n ASP 428 Cb 0.42 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 3lml n ASP 428 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3lml s GLY 429 N -0.61 -0.22 -0.01 6.12 0.00 -1.26 -1.78 107.32 109.55 3lml s GLY 429 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.87 3lml s GLY 429 CO 0.00 0.02 -0.10 -1.36 0.00 0.00 0.00 173.10 171.66 3lml s PHE 430 N -3.27 2.79 -0.16 1.90 0.40 -0.49 0.03 117.98 119.19 3lml s PHE 430 Ca 0.12 -0.10 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3lml s PHE 430 Cb -0.01 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.92 3lml s PHE 430 CO 0.02 0.31 -0.14 0.42 0.70 0.00 0.00 175.22 176.53 3lml s ILE 431 N -0.91 2.78 -0.25 0.64 1.01 -0.74 -0.89 121.20 122.84 3lml s ILE 431 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3lml s ILE 431 Cb -0.11 -2.19 0.05 0.00 0.01 0.00 0.00 42.46 40.22 3lml s ILE 431 CO 0.05 0.51 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 3lml s VAL 432 N 0.84 2.42 -0.14 2.92 1.01 0.57 -1.50 120.40 126.53 3lml s VAL 432 Ca -0.04 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 3lml s VAL 432 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3lml s VAL 432 CO -0.00 0.08 0.05 0.20 0.00 0.00 0.00 175.10 175.43 3lml s ASN 433 N 1.19 5.62 -0.13 3.32 0.02 -0.33 -0.77 114.94 123.85 3lml s ASN 433 Ca -0.05 0.17 -0.17 0.00 -1.02 0.00 0.00 52.86 51.79 3lml s ASN 433 Cb -0.18 -1.82 0.04 0.00 0.02 0.00 0.00 41.25 39.31 3lml s ASN 433 CO -0.05 0.29 0.46 0.00 0.02 0.00 0.00 177.10 177.81 3lml s GLN 434 N -0.33 0.62 -0.34 -0.60 -2.07 0.82 -0.76 119.66 116.99 3lml s GLN 434 Ca 0.08 0.46 -0.02 0.00 -1.82 0.00 0.00 55.36 54.06 3lml s GLN 434 Cb -0.12 0.29 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 3lml s GLN 434 CO 0.02 -0.11 0.08 -1.12 -1.32 0.00 0.00 175.29 172.84 3lml s SER 435 N -0.18 5.04 0.21 12.60 0.01 0.02 -0.29 113.70 131.11 3lml s SER 435 Ca -0.04 -1.60 0.07 0.00 1.31 0.00 0.00 55.95 55.70 3lml s SER 435 Cb -0.03 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 3lml s SER 435 CO 0.02 -0.37 0.10 -0.63 0.41 0.00 0.00 173.24 172.77 3lml s ILE 436 N 1.20 4.12 -0.21 1.44 -1.09 -0.54 -4.80 121.20 121.31 3lml s ILE 436 Ca 0.01 -1.41 -0.01 0.00 -2.23 0.00 0.00 60.65 57.01 3lml s ILE 436 Cb -0.21 -3.15 0.06 0.00 -1.58 0.00 0.00 42.46 37.58 3lml s ILE 436 CO -0.02 -0.23 0.01 -0.70 -1.23 0.00 0.00 174.94 172.76 3lml s GLU 437 N -3.40 1.01 0.27 2.79 2.12 -1.26 0.24 118.70 120.47 3lml s GLU 437 Ca 0.31 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 3lml s GLU 437 Cb -0.09 -2.29 -0.10 0.00 0.26 0.00 0.00 34.13 31.92 3lml s GLU 437 CO 0.22 -0.64 1.44 -2.14 -0.54 0.00 0.00 175.26 173.60 3lml s PRO 438 N 1.68 4.25 0.00 4.30 0.02 -1.26 -1.90 135.00 142.10 3lml s PRO 438 Ca -0.02 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3lml s PRO 438 Cb -0.18 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3lml s PRO 438 CO -0.08 -0.42 0.00 1.33 -0.33 0.00 0.00 177.00 177.50 3lml n VAL 439 N 2.04 0.00 -2.83 3.83 0.24 -0.83 -3.04 118.33 117.74 3lml n VAL 439 Ca 0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.92 3lml n VAL 439 Cb 0.40 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 3lml n VAL 439 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3lml s ASP 440 N 0.00 6.79 0.00 -1.34 -0.00 -1.26 -4.74 116.67 116.11 3lml s ASP 440 Ca 0.00 -2.33 0.00 0.00 -0.00 0.00 0.00 52.55 50.22 3lml s ASP 440 Cb 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 3lml s ASP 440 CO 0.00 -1.04 0.00 -1.54 -0.00 0.00 0.00 175.17 172.59 3lml n SER 441 N 6.84 0.00 -3.85 0.27 3.41 -1.17 -5.05 113.62 114.07 3lml n SER 441 Ca 0.33 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.58 3lml n SER 441 Cb 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 3lml n SER 441 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lml n GLY 442 N 0.00 0.46 3.49 5.00 0.00 -1.26 -4.67 105.19 108.21 3lml n GLY 442 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3lml n GLY 442 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lml s GLU 443 N 7.22 0.22 -0.07 1.61 2.12 -1.26 -5.14 118.70 123.41 3lml s GLU 443 Ca 0.71 0.46 -0.21 0.00 0.36 0.00 0.00 54.97 56.30 3lml s GLU 443 Cb 0.09 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 3lml s GLU 443 CO 0.28 -0.06 0.60 0.15 -0.54 0.00 0.00 175.26 175.69 3lml s LYS 444 N 1.75 4.38 -0.05 4.30 1.02 -1.26 -4.50 119.74 125.37 3lml s LYS 444 Ca -0.05 0.71 -0.02 0.00 0.02 0.00 0.00 55.97 56.62 3lml s LYS 444 Cb -0.04 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3lml s LYS 444 CO -0.15 0.17 0.08 -0.06 -0.92 0.00 0.00 175.35 174.47 3lml s PHE 445 N 0.49 3.34 -0.19 3.18 0.40 0.14 -4.89 117.98 120.44 3lml s PHE 445 Ca 0.32 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.79 3lml s PHE 445 Cb -0.17 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 3lml s PHE 445 CO 0.15 0.58 0.33 -0.47 0.70 0.00 0.00 175.22 176.51 3lml s TYR 446 N -1.09 3.40 -0.03 0.36 6.14 -1.26 -1.47 117.35 123.40 3lml s TYR 446 Ca 0.19 0.57 0.02 0.00 0.64 0.00 0.00 57.07 58.49 3lml s TYR 446 Cb -0.12 -2.43 0.01 0.00 0.42 0.00 0.00 41.96 39.84 3lml s TYR 446 CO 0.09 0.09 -0.08 -0.06 0.64 0.00 0.00 175.55 176.24 3lml s PHE 447 N 0.95 0.89 -0.12 4.97 0.40 0.60 -5.00 117.98 120.68 3lml s PHE 447 Ca 0.17 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3lml s PHE 447 Cb -0.14 -0.67 0.03 0.00 0.51 0.00 0.00 43.02 42.76 3lml s PHE 447 CO 0.06 -0.13 -0.03 -0.08 0.70 0.00 0.00 175.22 175.74 3lml s THR 448 N 0.38 0.76 -0.08 0.64 -1.32 -1.26 -0.13 115.64 114.64 3lml s THR 448 Ca -0.06 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.23 3lml s THR 448 Cb -0.10 -0.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 3lml s THR 448 CO 0.01 0.23 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.58 3lml s THR 449 N 1.81 2.71 -0.07 5.08 2.01 0.05 -4.96 115.64 122.27 3lml s THR 449 Ca 0.04 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3lml s THR 449 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3lml s THR 449 CO -0.07 0.56 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.59 3lml s GLU 450 N -0.22 2.73 0.00 4.92 2.12 -1.26 -0.31 118.70 126.67 3lml s GLU 450 Ca -0.00 -0.68 0.06 0.00 0.36 0.00 0.00 54.97 54.71 3lml s GLU 450 Cb -0.13 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 3lml s GLU 450 CO 0.03 0.54 -0.18 0.08 -0.54 0.00 0.00 175.26 175.19 3lml s VAL 451 N -0.50 1.41 0.26 3.70 1.01 -0.07 -5.01 120.40 121.21 3lml s VAL 451 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 3lml s VAL 451 Cb -0.12 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 3lml s VAL 451 CO 0.02 0.33 0.64 -0.54 0.00 0.00 0.00 175.10 175.55 3lml s LYS 452 N -0.60 3.94 0.33 2.72 -0.14 -1.26 -1.40 119.74 123.32 3lml s LYS 452 Ca 0.06 0.51 0.24 0.00 -1.36 0.00 0.00 55.97 55.42 3lml s LYS 452 Cb -0.07 -2.60 0.54 0.00 -1.68 0.00 0.00 37.83 34.02 3lml s LYS 452 CO -0.00 0.27 1.67 1.25 -0.76 0.00 0.00 175.35 177.78 3lml h LEU 453 N 2.58 0.00 0.00 3.17 5.85 -1.73 -3.47 115.31 121.70 3lml h LEU 453 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3lml h LEU 453 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3lml h LEU 453 CO 0.67 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.93