#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lml n PHE 22 N 0.00 0.93 0.34 -2.53 7.35 -1.26 -4.05 117.46 118.25 3lml n PHE 22 Ca 0.00 0.24 0.12 0.00 -0.76 0.00 0.00 57.45 57.05 3lml n PHE 22 Cb 0.00 -1.14 0.23 0.00 0.35 0.00 0.00 39.48 38.92 3lml n PHE 22 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3lml h LYS 23 N 0.04 0.00 -0.70 -4.13 2.10 -1.94 -3.26 116.57 108.68 3lml h LYS 23 Ca -0.42 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.34 3lml h LYS 23 Cb 2.03 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.31 3lml h LYS 23 CO 0.06 0.00 0.47 0.00 -2.00 0.00 0.00 179.45 177.97 3lml h ALA 24 N 2.16 1.97 -0.59 0.07 0.00 -1.98 -1.31 119.26 119.58 3lml h ALA 24 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3lml h ALA 24 Cb 0.92 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3lml h ALA 24 CO 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 179.25 179.31 3lml h ALA 25 N 1.65 1.24 -0.51 0.00 0.00 -1.76 -2.00 119.26 117.87 3lml h ALA 25 Ca 0.33 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3lml h ALA 25 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3lml h ALA 25 CO -0.11 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3lml h ALA 26 N 1.36 1.00 0.00 0.00 0.00 -1.45 -1.12 119.26 119.04 3lml h ALA 26 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3lml h ALA 26 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lml h ALA 26 CO -0.01 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3lml n ALA 27 N -2.48 1.75 -0.09 0.00 0.00 -0.79 -2.73 120.51 116.18 3lml n ALA 27 Ca 0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 3lml n ALA 27 Cb 0.33 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3lml n ALA 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3lml n GLU 28 N -1.31 0.64 0.04 0.00 -0.58 -0.45 -1.95 120.64 117.04 3lml n GLU 28 Ca 0.06 0.33 0.08 0.00 -0.42 0.00 0.00 57.16 57.21 3lml n GLU 28 Cb 0.11 -1.63 0.36 0.00 -0.57 0.00 0.00 31.44 29.70 3lml n GLU 28 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3lml n ARG 29 N -3.89 0.05 -0.04 3.49 5.12 -1.08 -2.82 116.66 117.49 3lml n ARG 29 Ca -0.40 0.30 -0.05 0.00 -1.93 0.00 0.00 57.85 55.77 3lml n ARG 29 Cb 0.89 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 30.53 3lml n ARG 29 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3lml n THR 30 N -1.70 0.59 -0.94 0.55 -1.04 -1.15 -4.32 114.28 106.26 3lml n THR 30 Ca 0.03 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.05 61.41 3lml n THR 30 Cb 0.19 -0.80 0.02 0.00 -1.82 0.00 0.00 70.33 67.91 3lml n THR 30 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3lml n LYS 31 N -2.44 0.00 -4.15 -2.82 4.81 -0.82 -4.91 118.16 107.83 3lml n LYS 31 Ca -0.15 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.94 3lml n LYS 31 Cb 0.76 -0.81 -0.13 0.00 0.02 0.00 0.00 35.03 34.87 3lml n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lml s ALA 32 N -1.61 2.95 0.00 3.14 0.00 -1.26 -4.95 121.76 120.02 3lml s ALA 32 Ca 0.41 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3lml s ALA 32 Cb -0.32 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3lml s ALA 32 CO 0.58 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.63 3lml n GLY 33 N 4.18 0.70 3.73 0.00 0.00 -1.26 -5.08 105.19 107.47 3lml n GLY 33 Ca -0.17 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 3lml n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 34 N -1.91 4.41 0.15 1.61 8.01 -1.26 -5.01 118.70 124.71 3lml s GLU 34 Ca 0.00 1.98 -0.23 0.00 0.01 0.00 0.00 54.97 56.73 3lml s GLU 34 Cb 0.00 -3.23 0.07 0.00 -4.31 0.00 0.00 34.13 26.66 3lml s GLU 34 CO 0.00 -0.23 0.59 1.03 0.01 0.00 0.00 175.26 176.66 3lml s ARG 35 N 0.10 1.26 0.00 1.61 0.52 -1.26 -4.92 118.95 116.25 3lml s ARG 35 Ca 0.57 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 3lml s ARG 35 Cb -0.35 0.58 0.00 0.00 0.52 0.00 0.00 34.95 35.70 3lml s ARG 35 CO 0.36 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.55 3lml n GLY 36 N -0.32 -1.34 2.80 -3.53 0.00 -1.16 -2.76 105.19 98.88 3lml n GLY 36 Ca -0.17 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.14 0.66 0.09 2.61 -1.32 -1.26 -1.65 115.64 113.63 3lml s THR 37 Ca 0.00 -0.34 0.05 0.00 -1.21 0.00 0.00 61.69 60.20 3lml s THR 37 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3lml s THR 37 CO 0.00 0.07 -0.05 0.54 -2.21 0.00 0.00 174.62 172.97 3lml s VAL 38 N 1.83 3.74 -0.31 5.08 0.11 -0.57 0.16 120.40 130.43 3lml s VAL 38 Ca 0.02 -1.07 -0.16 0.00 -2.93 0.00 0.00 61.98 57.84 3lml s VAL 38 Cb -0.15 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.93 3lml s VAL 38 CO -0.07 0.15 0.42 0.00 -3.33 0.00 0.00 175.10 172.26 3lml s ALA 39 N -1.24 3.53 -0.22 1.54 0.00 -0.33 0.90 121.76 125.94 3lml s ALA 39 Ca 0.23 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3lml s ALA 39 Cb -0.11 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.23 3lml s ALA 39 CO 0.15 -0.91 -0.08 -1.17 0.00 0.00 0.00 175.76 173.75 3lml s LEU 40 N 2.16 2.42 -0.24 0.00 0.20 -0.73 -0.82 118.68 121.67 3lml s LEU 40 Ca 0.15 -1.03 -0.26 0.00 0.69 0.00 0.00 54.13 53.69 3lml s LEU 40 Cb -0.16 -1.20 -0.00 0.00 -0.43 0.00 0.00 46.19 44.40 3lml s LEU 40 CO 0.11 -0.19 0.89 -2.16 -0.29 0.00 0.00 176.35 174.71 3lml s PRO 41 N 1.40 4.21 0.00 0.98 0.04 -1.26 -1.13 135.00 139.24 3lml s PRO 41 Ca -0.04 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3lml s PRO 41 Cb -0.18 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3lml s PRO 41 CO -0.07 -0.55 0.00 1.28 0.04 0.00 0.00 177.00 177.70 3lml n LEU 42 N 6.08 0.00 -3.32 -3.56 4.77 -0.05 -4.90 117.00 116.02 3lml n LEU 42 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 3lml n LEU 42 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3lml n LEU 42 CO 0.49 0.00 -0.26 0.00 -1.33 0.00 0.00 177.39 176.29 3lml n ALA 43 N -3.00 2.78 -1.92 -1.18 0.00 -1.26 -0.25 120.51 115.68 3lml n ALA 43 Ca 0.00 -3.48 -0.29 0.00 0.00 0.00 0.00 53.44 49.67 3lml n ALA 43 Cb 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 19.45 18.77 3lml n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lml s ALA 44 N -0.89 2.62 -0.48 0.00 0.00 -1.26 -4.94 121.76 116.81 3lml s ALA 44 Ca 0.34 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3lml s ALA 44 Cb 0.11 -2.78 0.52 0.00 0.00 0.00 0.00 23.12 20.97 3lml s ALA 44 CO -0.14 -1.92 1.76 0.43 0.00 0.00 0.00 175.76 175.90 3lml n SER 45 N -3.41 5.27 0.00 0.00 7.64 -1.26 -4.76 113.62 117.09 3lml n SER 45 Ca 0.11 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.25 3lml n SER 45 Cb 0.60 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3lml n SER 45 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3lml n TRP 46 N -0.98 0.00 0.00 1.43 -0.00 -1.25 -2.81 117.44 113.83 3lml n TRP 46 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.03 3lml n TRP 46 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.34 3lml n TRP 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3lml n GLY 47 N -0.26 2.59 0.42 5.87 0.00 -1.26 -4.67 105.19 107.88 3lml n GLY 47 Ca 0.00 -1.62 0.25 0.00 0.00 0.00 0.00 46.02 44.64 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 2.33 -2.66 4.61 0.00 -1.88 -3.41 119.26 118.25 3lml h ALA 48 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3lml h ALA 48 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3lml h ALA 48 CO 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 179.25 178.08 3lml n ALA 49 N -2.50 -2.57 -1.25 0.00 0.00 -1.26 -4.65 120.51 108.28 3lml n ALA 49 Ca 0.26 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 3lml n ALA 49 Cb 0.94 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.84 -0.83 -4.10 0.00 5.02 -1.01 -4.99 118.16 113.09 3lml n LYS 50 Ca 0.00 0.75 -0.08 0.00 -2.02 0.00 0.00 58.31 56.96 3lml n LYS 50 Cb 0.00 -4.67 -0.10 0.00 -0.02 0.00 0.00 35.03 30.24 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 -2.51 0.64 0.55 1.97 2.02 -1.26 -4.98 118.70 115.14 3lml s GLU 51 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 54.97 53.70 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 0.87 -0.06 0.02 0.00 0.00 175.26 175.99 3lml s PHE 52 N -3.84 3.38 -0.07 1.61 0.08 -1.26 -2.58 117.98 115.30 3lml s PHE 52 Ca 0.07 0.73 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 3lml s PHE 52 Cb 0.07 -2.58 0.04 0.00 -0.57 0.00 0.00 43.02 39.98 3lml s PHE 52 CO -0.09 -0.62 0.13 0.08 -0.10 0.00 0.00 175.22 174.62 3lml s VAL 53 N -2.91 -0.12 -0.18 -0.44 1.01 0.79 -4.97 120.40 113.58 3lml s VAL 53 Ca 0.52 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 3lml s VAL 53 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3lml s VAL 53 CO 0.45 0.10 0.49 -0.70 0.00 0.00 0.00 175.10 175.44 3lml s GLU 54 N 1.54 4.22 -0.02 2.72 2.12 -1.26 -1.17 118.70 126.84 3lml s GLU 54 Ca -0.05 0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.69 3lml s GLU 54 Cb -0.12 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 3lml s GLU 54 CO -0.05 -0.06 -0.11 0.96 -0.54 0.00 0.00 175.26 175.45 3lml s ILE 55 N 1.36 0.93 0.00 -3.70 -4.36 -0.72 -4.98 121.20 109.74 3lml s ILE 55 Ca 0.24 -0.45 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 3lml s ILE 55 Cb -0.15 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.75 3lml s ILE 55 CO 0.09 0.28 0.00 0.59 0.24 0.00 0.00 174.94 176.14 3lml n ASN 56 N 3.15 2.55 -4.35 4.36 3.02 -1.26 -1.96 115.26 120.76 3lml n ASN 56 Ca -0.17 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.10 3lml n ASN 56 Cb 0.54 0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.90 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 -1.40 1.33 0.28 3.52 3.01 -1.26 -4.94 119.74 120.28 3lml s LYS 57 Ca 0.00 -1.27 0.02 0.00 -1.01 0.00 0.00 55.97 53.71 3lml s LYS 57 Cb 0.00 -1.74 0.65 0.00 -1.01 0.00 0.00 37.83 35.74 3lml s LYS 57 CO 0.00 0.41 1.73 1.49 0.51 0.00 0.00 175.35 179.50 3lml h GLU 58 N 3.99 0.53 -1.00 1.68 4.81 -2.02 -0.04 114.58 122.53 3lml h GLU 58 Ca -0.49 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 58.85 3lml h GLU 58 Cb 1.17 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 3lml h GLU 58 CO 0.39 0.35 0.62 1.05 -0.73 0.00 0.00 179.01 180.69 3lml h GLU 59 N 0.54 0.90 -0.84 1.92 9.09 -1.99 -1.42 114.58 122.77 3lml h GLU 59 Ca 0.52 -0.05 0.15 0.00 0.05 0.00 0.00 59.36 60.03 3lml h GLU 59 Cb 0.88 -0.20 -0.10 0.00 -1.65 0.00 0.00 28.75 27.68 3lml h GLU 59 CO -0.44 0.59 0.42 -0.44 0.05 0.00 0.00 179.01 179.19 3lml h ASP 60 N 0.92 0.49 0.32 3.06 3.45 -1.39 -1.24 116.42 122.03 3lml h ASP 60 Ca 0.52 0.10 0.00 0.00 0.43 0.00 0.00 57.03 58.08 3lml h ASP 60 Cb 0.60 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.36 3lml h ASP 60 CO -0.30 0.19 -0.46 0.58 -1.57 0.00 0.00 179.24 177.68 3lml h VAL 61 N 0.59 0.09 -0.60 -1.35 2.07 -1.31 0.42 116.25 116.16 3lml h VAL 61 Ca 0.46 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.93 3lml h VAL 61 Cb 0.68 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3lml h VAL 61 CO -0.38 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.29 3lml h GLU 62 N -0.83 0.95 -0.08 1.57 4.81 -1.03 0.38 114.58 120.35 3lml h GLU 62 Ca -0.02 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3lml h GLU 62 Cb 0.77 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3lml h GLU 62 CO -0.14 0.87 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.50 3lml h LYS 63 N 0.87 0.15 0.00 1.92 3.64 -1.08 0.21 116.57 122.28 3lml h LYS 63 Ca 0.19 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3lml h LYS 63 Cb 0.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3lml h LYS 63 CO 0.00 0.43 -2.07 1.63 -2.27 0.00 0.00 179.45 177.17 3lml n LYS 64 N -4.16 0.67 0.00 1.90 5.02 0.13 -4.54 118.16 117.17 3lml n LYS 64 Ca -0.01 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3lml n LYS 64 Cb 0.37 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.33 0.00 -0.35 4.32 0.13 -4.60 117.00 115.35 3lml n LEU 65 Ca -0.15 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.51 3lml n LEU 65 Cb 0.80 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.60 3lml n LEU 65 CO 0.45 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.56 3lml n GLY 66 N -0.20 1.44 3.50 -0.72 0.00 0.73 -4.49 105.19 105.44 3lml n GLY 66 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.54 0.36 0.99 2.01 -1.25 -4.96 118.68 118.38 3lml s LEU 67 Ca 0.00 -1.27 -0.23 0.00 0.01 0.00 0.00 54.13 52.64 3lml s LEU 67 Cb 0.00 -0.70 -0.10 0.00 0.01 0.00 0.00 46.19 45.40 3lml s LEU 67 CO 0.00 -0.40 0.93 -0.55 1.01 0.00 0.00 176.35 177.33 3lml s SER 68 N -3.54 7.13 0.67 2.29 0.15 -1.26 -2.21 113.70 116.93 3lml s SER 68 Ca 0.33 1.73 0.43 0.00 0.70 0.00 0.00 55.95 59.13 3lml s SER 68 Cb 0.06 -2.55 2.33 0.00 -1.71 0.00 0.00 66.02 64.16 3lml s SER 68 CO 0.15 -0.19 2.31 0.25 1.20 0.00 0.00 173.24 176.96 3lml h LEU 69 N 2.62 0.00 0.00 3.45 5.85 -1.93 0.12 115.31 125.42 3lml h LEU 69 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 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 0.63 0.00 -0.08 0.00 -0.34 0.00 0.00 178.44 178.65 3lml n ALA 70 N -2.05 2.49 -0.85 1.25 0.00 -1.26 -4.72 120.51 115.37 3lml n ALA 70 Ca -0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 3lml n ALA 70 Cb 0.11 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.64 0.59 0.30 0.00 -0.00 0.42 -4.90 115.22 109.99 3lml n HIS 71 Ca 0.06 0.38 0.16 0.00 -0.00 0.00 0.00 57.72 58.32 3lml n HIS 71 Cb 0.36 -2.00 0.59 0.00 -0.00 0.00 0.00 29.99 28.94 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 -1.48 0.00 0.00 1.57 5.75 -1.90 -3.00 115.11 116.05 3lml h GLN 72 Ca -0.44 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.00 3lml h GLN 72 Cb 1.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 3lml h GLN 72 CO 0.42 0.00 -0.27 0.77 -2.65 0.00 0.00 178.83 177.09 3lml h SER 73 N 0.00 0.00 -0.81 -0.69 0.02 -1.92 -3.13 113.55 107.02 3lml h SER 73 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 3lml h SER 73 Cb 0.56 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.84 3lml h SER 73 CO 0.00 0.27 0.43 0.49 -1.14 0.00 0.00 176.83 176.88 3lml n PHE 74 N -3.80 2.53 0.21 3.45 0.99 -1.13 -4.69 117.46 115.01 3lml n PHE 74 Ca -0.01 -1.94 -0.14 0.00 -0.00 0.00 0.00 57.45 55.35 3lml n PHE 74 Cb 0.37 -0.86 -0.08 0.00 -1.00 0.00 0.00 39.48 37.90 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 1.16 -1.16 -0.92 4.37 6.46 -1.72 -1.24 115.31 122.25 3lml h LEU 75 Ca 0.51 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 58.47 3lml h LEU 75 Cb 2.25 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 42.50 3lml h LEU 75 CO 0.95 -0.52 0.56 -0.07 -0.62 0.00 0.00 178.44 178.74 3lml h LEU 76 N -0.77 0.83 -0.20 2.25 3.38 -1.89 -2.11 115.31 116.80 3lml h LEU 76 Ca -0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3lml h LEU 76 Cb 0.69 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3lml h LEU 76 CO -0.09 0.47 -0.11 0.25 0.09 0.00 0.00 178.44 179.05 3lml h LEU 77 N 0.94 -0.37 -0.46 1.67 5.85 -1.79 -1.12 115.31 120.02 3lml h LEU 77 Ca 0.44 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.29 3lml h LEU 77 Cb 0.37 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3lml h LEU 77 CO -0.24 -0.15 0.21 0.03 -0.34 0.00 0.00 178.44 177.95 3lml h ARG 78 N -0.10 0.40 -0.12 1.25 3.08 -0.58 -0.11 114.38 118.20 3lml h ARG 78 Ca 0.11 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3lml h ARG 78 Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3lml h ARG 78 CO -0.26 0.26 0.08 0.93 -1.07 0.00 0.00 179.97 179.92 3lml h GLU 79 N 0.41 0.11 -0.02 0.04 4.39 -0.96 -1.80 114.58 116.75 3lml h GLU 79 Ca 0.21 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 3lml h GLU 79 Cb 0.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3lml h GLU 79 CO -0.17 0.07 -0.28 1.15 -1.16 0.00 0.00 179.01 178.62 3lml h THR 80 N 0.12 1.49 0.00 1.13 2.02 -0.00 -3.12 112.91 114.55 3lml h THR 80 Ca 0.05 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.39 3lml h THR 80 Cb 0.06 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3lml h THR 80 CO -0.01 0.51 0.00 0.18 0.37 0.00 0.00 175.52 176.58 3lml n LEU 81 N -4.48 0.42 0.23 2.58 4.77 -0.17 -1.97 117.00 118.39 3lml n LEU 81 Ca -0.09 0.70 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3lml n LEU 81 Cb 0.50 -0.75 0.78 0.00 -2.33 0.00 0.00 43.42 41.62 3lml n LEU 81 CO 0.40 -0.84 1.12 0.11 -1.33 0.00 0.00 177.39 176.85 3lml h LYS 82 N 0.00 0.00 0.00 3.23 1.57 -1.29 -3.32 116.57 116.77 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3lml h LYS 82 CO 0.00 0.00 -0.22 1.28 -0.57 0.00 0.00 179.45 179.94 3lml n LEU 83 N -4.14 0.00 -4.77 2.94 4.77 -1.08 -5.06 117.00 109.66 3lml n LEU 83 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3lml n LEU 83 Cb 0.19 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3lml n LEU 83 CO 0.31 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.90 3lml s ALA 84 N -0.49 3.41 0.03 -1.18 0.00 -0.83 -4.55 121.76 118.15 3lml s ALA 84 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 3lml s ALA 84 Cb 0.00 -3.03 -0.26 0.00 0.00 0.00 0.00 23.12 19.83 3lml s ALA 84 CO 0.00 0.24 1.09 -0.22 0.00 0.00 0.00 175.76 176.88 3lml h LYS 85 N 4.42 0.52 -5.33 0.00 3.64 -1.12 -3.42 116.57 115.28 3lml h LYS 85 Ca -0.46 -0.63 -0.46 0.00 -1.27 0.00 0.00 60.65 57.83 3lml h LYS 85 Cb 1.20 0.20 -0.26 0.00 -0.41 0.00 0.00 32.23 32.96 3lml h LYS 85 CO 0.67 1.25 -0.80 0.99 -2.27 0.00 0.00 179.45 179.29 3lml s THR 86 N -3.07 1.13 -0.08 1.00 2.01 -0.71 -4.66 115.64 111.26 3lml s THR 86 Ca -0.11 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3lml s THR 86 Cb 0.04 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3lml s THR 86 CO 0.88 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.14 3lml s VAL 87 N -0.66 1.07 -0.86 3.82 1.01 -0.83 -1.52 120.40 122.44 3lml s VAL 87 Ca 0.03 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3lml s VAL 87 Cb -0.07 -1.03 0.20 0.00 0.00 0.00 0.00 36.38 35.48 3lml s VAL 87 CO 0.01 0.36 0.86 -0.76 0.00 0.00 0.00 175.10 175.57 3lml s LEU 88 N 1.11 6.33 -0.02 3.92 1.43 0.26 -1.75 118.68 129.94 3lml s LEU 88 Ca -0.06 -2.54 -0.30 0.00 -1.03 0.00 0.00 54.13 50.20 3lml s LEU 88 Cb -0.14 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3lml s LEU 88 CO -0.01 -0.69 1.01 0.54 0.23 0.00 0.00 176.35 177.42 3lml s VAL 89 N 0.79 4.76 -0.21 -1.59 0.11 -0.32 -1.77 120.40 122.18 3lml s VAL 89 Ca 0.22 1.99 -0.06 0.00 -2.93 0.00 0.00 61.98 61.20 3lml s VAL 89 Cb -0.09 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 3lml s VAL 89 CO -0.09 0.11 0.02 -0.47 -3.33 0.00 0.00 175.10 171.34 3lml s TYR 90 N 1.30 3.08 -0.44 1.54 5.04 -0.29 -0.15 117.35 127.43 3lml s TYR 90 Ca 0.52 -0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 54.49 3lml s TYR 90 Cb -0.21 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.00 3lml s TYR 90 CO 0.25 -0.20 1.34 0.50 -1.34 0.00 0.00 175.55 176.10 3lml s ARG 91 N 1.02 3.59 0.00 4.97 3.52 -1.07 -0.87 118.95 130.11 3lml s ARG 91 Ca 0.03 0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 56.17 3lml s ARG 91 Cb -0.14 -4.00 -0.19 0.00 -1.56 0.00 0.00 34.95 29.06 3lml s ARG 91 CO 0.02 -1.55 1.34 -0.07 -0.81 0.00 0.00 175.30 174.22 3lml h LEU 92 N 12.04 -0.06 0.00 -0.88 3.38 -0.98 -2.67 115.31 126.14 3lml h LEU 92 Ca -0.26 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3lml h LEU 92 Cb 1.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3lml h LEU 92 CO 1.11 0.32 0.00 -0.46 0.09 0.00 0.00 178.44 179.50 3lml n ASN 93 N -4.94 0.00 -0.92 -0.43 0.23 -1.26 -4.70 115.26 103.24 3lml n ASN 93 Ca -0.08 -0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 3lml n ASN 93 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 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 -0.36 0.00 0.00 0.53 4.64 -1.26 -4.35 116.55 115.75 3lml n ASP 94 Ca 0.00 -0.92 0.00 0.00 -1.38 0.00 0.00 54.79 52.49 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 -0.27 3.77 0.27 0.00 -1.26 -1.46 105.19 106.25 3lml n GLY 95 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 2.64 -0.14 -0.61 -1.09 0.74 -4.10 121.20 116.65 3lml s ILE 96 Ca 0.00 0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.83 3lml s ILE 96 Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3lml s ILE 96 CO 0.00 0.13 0.62 -0.54 -1.23 0.00 0.00 174.94 173.92 3lml s LYS 97 N -1.96 4.32 0.48 2.79 1.02 -1.26 -1.89 119.74 123.24 3lml s LYS 97 Ca 0.52 0.67 -0.24 0.00 0.02 0.00 0.00 55.97 56.94 3lml s LYS 97 Cb -0.40 -3.50 -0.07 0.00 -0.52 0.00 0.00 37.83 33.34 3lml s LYS 97 CO 0.52 -0.05 1.35 0.00 -0.92 0.00 0.00 175.35 176.26 3lml n ALA 98 N 4.32 1.66 -2.37 5.17 0.00 -1.26 -4.60 120.51 123.42 3lml n ALA 98 Ca -0.02 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 3lml n ALA 98 Cb 0.51 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.23 0.17 0.00 0.00 2.01 -0.11 -0.61 115.64 115.86 3lml s THR 99 Ca 0.65 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.65 3lml s THR 99 Cb -0.45 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.63 3lml s THR 99 CO 0.55 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 3lml n ALA 100 N -0.75 0.00 -3.05 7.40 0.00 -0.89 -0.50 120.51 122.72 3lml n ALA 100 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 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 4.20 0.38 0.00 2.01 -1.26 -0.47 115.64 118.50 3lml s THR 101 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 3lml s THR 101 Cb 0.00 -3.21 -0.10 0.00 0.01 0.00 0.00 72.50 69.20 3lml s THR 101 CO 0.00 0.01 0.92 -0.22 -0.69 0.00 0.00 174.62 174.63 3lml s LEU 102 N 1.53 4.07 0.00 4.42 0.20 -0.91 -4.85 118.68 123.13 3lml s LEU 102 Ca 0.03 1.68 0.00 0.00 0.69 0.00 0.00 54.13 56.52 3lml s LEU 102 Cb -0.18 -4.32 0.00 0.00 -0.43 0.00 0.00 46.19 41.26 3lml s LEU 102 CO 0.04 -0.25 0.00 0.00 -0.29 0.00 0.00 176.35 175.85 3lml n ALA 103 N -0.25 0.00 -3.94 5.97 0.00 -1.26 -2.89 120.51 118.14 3lml n ALA 103 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3lml n ALA 103 Cb 0.53 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 1.60 -1.11 0.00 2.01 -0.96 -4.88 115.64 112.30 3lml s THR 104 Ca 0.00 -1.39 -0.24 0.00 0.31 0.00 0.00 61.69 60.37 3lml s THR 104 Cb 0.00 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.61 3lml s THR 104 CO 0.00 -0.20 0.71 0.47 -0.69 0.00 0.00 174.62 174.91 3lml n ASP 105 N 4.62 -4.83 -3.32 3.53 9.92 -1.22 -2.47 116.55 122.77 3lml n ASP 105 Ca -0.09 -1.10 -0.26 0.00 -0.53 0.00 0.00 54.79 52.81 3lml n ASP 105 Cb 0.43 -2.43 -0.08 0.00 -0.64 0.00 0.00 41.12 38.41 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 -4.27 0.59 -1.56 2.53 0.31 -1.14 -4.40 118.33 110.38 3lml n VAL 106 Ca -0.13 -4.50 -0.51 0.00 -0.01 0.00 0.00 64.34 59.19 3lml n VAL 106 Cb 0.59 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.45 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 1.29 0.31 -3.88 2.52 0.31 -1.25 -2.15 118.33 115.49 3lml n VAL 107 Ca 0.25 -0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 64.04 3lml n VAL 107 Cb 0.47 -1.63 -0.14 0.00 -0.91 0.00 0.00 33.84 31.63 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 5.77 3.30 0.08 2.52 1.01 0.39 -1.42 120.40 132.03 3lml s VAL 108 Ca 1.03 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3lml s VAL 108 Cb -0.85 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3lml s VAL 108 CO 0.53 0.12 -0.16 0.42 0.00 0.00 0.00 175.10 176.01 3lml s THR 109 N 1.38 2.98 0.68 3.92 -4.23 -0.94 -2.09 115.64 117.34 3lml s THR 109 Ca 0.00 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.08 3lml s THR 109 Cb -0.17 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3lml s THR 109 CO -0.01 0.22 1.18 0.00 -0.54 0.00 0.00 174.62 175.47 3lml s ALA 110 N -1.06 2.29 0.01 3.99 0.00 0.22 -0.35 121.76 126.85 3lml s ALA 110 Ca 0.17 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 3lml s ALA 110 Cb -0.11 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 3lml s ALA 110 CO 0.09 -1.58 1.29 -0.22 0.00 0.00 0.00 175.76 175.34 3lml h LYS 111 N 0.03 -0.25 -6.16 0.00 3.64 -1.63 -3.44 116.57 108.77 3lml h LYS 111 Ca -0.48 0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.39 3lml h LYS 111 Cb 1.28 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 3lml h LYS 111 CO 0.52 0.08 -0.31 0.71 -2.27 0.00 0.00 179.45 178.18 3lml s TYR 112 N -4.70 2.14 -0.05 1.91 2.02 -1.26 -5.07 117.35 112.34 3lml s TYR 112 Ca -0.14 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 55.83 3lml s TYR 112 Cb 0.02 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3lml s TYR 112 CO 0.59 -0.40 0.22 0.20 -1.57 0.00 0.00 175.55 174.59 3lml s GLY 113 N -4.26 2.24 0.00 0.71 0.00 -1.26 -4.57 107.32 100.18 3lml s GLY 113 Ca 0.45 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3lml s GLY 113 CO 0.27 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.66 3lml n GLY 114 N 1.61 4.39 0.04 0.20 0.00 -0.79 -3.84 105.19 106.81 3lml n GLY 114 Ca -0.16 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.97 1.63 0.22 -0.61 -5.35 -1.24 -1.05 119.36 110.99 3lml n ILE 115 Ca 0.00 0.57 0.09 0.00 -0.27 0.00 0.00 62.75 63.13 3lml n ILE 115 Cb 0.00 -1.57 0.48 0.00 -1.74 0.00 0.00 39.64 36.81 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 0.70 0.00 7.28 2.07 -1.87 -2.28 116.25 122.15 3lml h VAL 116 Ca 0.00 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 3lml h VAL 116 Cb 0.07 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3lml h VAL 116 CO 0.00 0.25 -0.08 1.23 0.02 0.00 0.00 177.57 178.99 3lml h GLY 117 N 1.73 0.00 1.21 2.17 0.00 -1.35 -2.12 103.07 104.70 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 0.03 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.27 3lml n ASN 118 N -3.35 0.00 -0.49 0.19 3.02 -0.86 -1.86 115.26 111.92 3lml n ASN 118 Ca -0.01 -0.52 0.10 0.00 -0.03 0.00 0.00 54.58 54.12 3lml n ASN 118 Cb 0.25 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.10 1.99 -4.75 6.41 7.64 -0.80 -4.77 113.62 118.24 3lml n SER 119 Ca 0.16 -1.49 -0.40 0.00 1.01 0.00 0.00 58.87 58.15 3lml n SER 119 Cb 0.12 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.36 4.47 -0.17 0.44 1.01 -0.78 -2.42 121.20 121.38 3lml s ILE 120 Ca 0.18 1.85 -0.07 0.00 0.00 0.00 0.00 60.65 62.60 3lml s ILE 120 Cb 0.17 -4.21 0.07 0.00 0.01 0.00 0.00 42.46 38.50 3lml s ILE 120 CO 0.54 0.41 0.39 0.28 0.00 0.00 0.00 174.94 176.56 3lml s THR 121 N -0.50 -0.36 -0.21 2.92 -1.32 -0.78 -1.75 115.64 113.64 3lml s THR 121 Ca 0.41 0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 3lml s THR 121 Cb -0.23 -0.60 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 3lml s THR 121 CO 0.27 0.06 0.22 -0.63 -2.21 0.00 0.00 174.62 172.33 3lml s ILE 122 N 2.08 5.33 -0.28 5.08 1.09 -0.91 -0.79 121.20 132.80 3lml s ILE 122 Ca -0.05 0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.87 3lml s ILE 122 Cb -0.11 -3.56 0.07 0.00 -1.06 0.00 0.00 42.46 37.80 3lml s ILE 122 CO -0.12 0.35 -0.08 -0.75 -0.10 0.00 0.00 174.94 174.25 3lml s LYS 123 N 0.86 2.15 -0.27 2.79 2.20 -0.59 -2.10 119.74 124.78 3lml s LYS 123 Ca 0.11 -1.42 -0.10 0.00 -0.36 0.00 0.00 55.97 54.20 3lml s LYS 123 Cb -0.13 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 3lml s LYS 123 CO 0.04 -0.63 0.16 0.54 -0.36 0.00 0.00 175.35 175.10 3lml s VAL 124 N 1.08 5.09 0.20 4.02 0.11 -1.16 -2.21 120.40 127.54 3lml s VAL 124 Ca -0.06 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3lml s VAL 124 Cb -0.20 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 3lml s VAL 124 CO -0.05 0.28 0.04 0.47 -3.33 0.00 0.00 175.10 172.50 3lml n ASP 125 N 4.95 2.34 -4.90 3.54 10.43 -0.87 -0.51 116.55 131.54 3lml n ASP 125 Ca -0.15 -1.83 -0.34 0.00 2.57 0.00 0.00 54.79 55.05 3lml n ASP 125 Cb 0.52 0.10 -0.05 0.00 1.84 0.00 0.00 41.12 43.53 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 -2.74 3.49 0.09 -1.24 2.12 -1.26 0.36 118.70 119.51 3lml s GLU 126 Ca 0.03 -0.22 -0.31 0.00 0.36 0.00 0.00 54.97 54.83 3lml s GLU 126 Cb -0.00 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 3lml s GLU 126 CO 0.02 0.67 1.25 1.21 -0.54 0.00 0.00 175.26 177.87 3lml s ASN 127 N -1.79 7.01 0.10 -1.70 3.04 0.91 -4.53 114.94 117.98 3lml s ASN 127 Ca 0.26 2.12 0.04 0.00 0.04 0.00 0.00 52.86 55.33 3lml s ASN 127 Cb -0.13 -2.58 -0.23 0.00 -1.54 0.00 0.00 41.25 36.77 3lml s ASN 127 CO 0.17 -0.51 1.22 -0.37 -3.04 0.00 0.00 177.10 174.56 3lml h VAL 128 N 4.36 1.62 -0.37 -5.21 -1.51 -1.97 -2.95 116.25 110.23 3lml h VAL 128 Ca -0.42 -3.31 0.00 0.00 -1.23 0.00 0.00 66.70 61.74 3lml h VAL 128 Cb 1.21 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 33.23 3lml h VAL 128 CO 0.82 0.94 0.00 0.52 -1.23 0.00 0.00 177.57 178.62 3lml n VAL 129 N -3.38 0.89 0.00 7.19 0.31 -1.26 -4.58 118.33 117.50 3lml n VAL 129 Ca -0.03 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 3lml n VAL 129 Cb 0.97 0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 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 0.54 0.00 0.12 4.52 4.64 -1.23 -5.02 116.55 120.12 3lml n ASP 130 Ca 0.14 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.59 3lml n ASP 130 Cb 0.50 0.00 0.22 0.00 -1.04 0.00 0.00 41.12 40.80 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 0.21 0.10 1.67 2.88 -1.12 -0.54 113.62 116.83 3lml n SER 131 Ca 0.00 0.44 0.13 0.00 -1.33 0.00 0.00 58.87 58.11 3lml n SER 131 Cb 0.00 -0.38 0.36 0.00 -0.75 0.00 0.00 64.21 63.44 3lml n SER 131 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3lml n SER 132 N -1.80 0.82 -4.82 -3.46 3.41 -1.26 -4.72 113.62 101.80 3lml n SER 132 Ca -0.01 0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 58.89 3lml n SER 132 Cb 0.34 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 3lml n SER 132 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3lml s LYS 133 N -3.11 2.49 0.23 4.33 1.02 0.30 -4.75 119.74 120.24 3lml s LYS 133 Ca 0.10 -1.54 0.12 0.00 0.02 0.00 0.00 55.97 54.67 3lml s LYS 133 Cb 0.12 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3lml s LYS 133 CO 0.62 -0.05 -0.22 0.15 -0.92 0.00 0.00 175.35 174.92 3lml s LYS 134 N -4.00 1.58 -0.94 1.68 3.01 0.36 -0.06 119.74 121.36 3lml s LYS 134 Ca 0.43 -1.62 -0.05 0.00 -1.01 0.00 0.00 55.97 53.73 3lml s LYS 134 Cb -0.02 -1.82 0.24 0.00 -1.01 0.00 0.00 37.83 35.21 3lml s LYS 134 CO 0.26 0.37 0.87 -0.51 0.51 0.00 0.00 175.35 176.84 3lml s ASP 135 N -2.98 6.43 -0.43 2.83 -0.00 0.16 -2.63 116.67 120.04 3lml s ASP 135 Ca 0.24 -3.56 -0.27 0.00 -0.00 0.00 0.00 52.55 48.96 3lml s ASP 135 Cb -0.07 -2.02 0.02 0.00 -0.00 0.00 0.00 42.92 40.85 3lml s ASP 135 CO 0.12 -0.25 1.01 -0.69 -0.00 0.00 0.00 175.17 175.35 3lml s VAL 136 N -1.14 4.42 0.10 -1.27 1.01 -0.64 -2.05 120.40 120.83 3lml s VAL 136 Ca 0.27 1.13 0.10 0.00 0.00 0.00 0.00 61.98 63.48 3lml s VAL 136 Cb -0.09 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 3lml s VAL 136 CO -0.10 -0.77 -0.26 0.42 0.00 0.00 0.00 175.10 174.39 3lml s THR 137 N 3.90 2.16 -0.09 3.92 -4.23 -0.94 -0.31 115.64 120.05 3lml s THR 137 Ca 0.42 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 3lml s THR 137 Cb -0.10 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 3lml s THR 137 CO 0.25 0.18 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.49 3lml s THR 138 N -0.97 3.15 0.18 3.99 2.01 0.17 -1.55 115.64 122.62 3lml s THR 138 Ca 0.12 -0.66 0.09 0.00 0.31 0.00 0.00 61.69 61.56 3lml s THR 138 Cb -0.10 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3lml s THR 138 CO 0.04 0.56 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.11 3lml s TYR 139 N -0.18 2.60 -0.36 4.92 1.51 0.03 -1.12 117.35 124.75 3lml s TYR 139 Ca 0.00 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 3lml s TYR 139 Cb -0.13 -1.27 0.13 0.00 -0.11 0.00 0.00 41.96 40.58 3lml s TYR 139 CO 0.03 0.51 0.20 -1.17 -1.11 0.00 0.00 175.55 174.01 3lml s LEU 140 N -2.81 1.26 -0.15 -1.29 2.96 -0.28 -1.87 118.68 116.50 3lml s LEU 140 Ca 0.24 -2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 52.03 3lml s LEU 140 Cb -0.09 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.09 3lml s LEU 140 CO 0.15 -0.32 0.13 0.59 -1.32 0.00 0.00 176.35 175.57 3lml n ASN 141 N 4.15 -2.25 -0.27 3.68 5.03 -1.02 -3.62 115.26 120.96 3lml n ASN 141 Ca 0.08 -0.07 -0.04 0.00 0.87 0.00 0.00 54.58 55.43 3lml n ASN 141 Cb 0.37 -1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.07 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 -1.21 -1.02 -4.27 3.52 4.71 -1.26 -4.99 120.64 116.11 3lml n GLU 142 Ca -0.02 0.47 -0.28 0.00 -0.01 0.00 0.00 57.16 57.32 3lml n GLU 142 Cb 0.51 -4.35 -0.17 0.00 -1.01 0.00 0.00 31.44 26.43 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 -1.74 1.37 0.47 2.62 0.11 -1.24 -5.09 120.40 116.90 3lml s VAL 143 Ca 0.00 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.26 3lml s VAL 143 Cb 0.00 -1.29 -0.08 0.00 -1.53 0.00 0.00 36.38 33.48 3lml s VAL 143 CO 0.00 0.42 1.29 0.00 -3.33 0.00 0.00 175.10 173.47 3lml n ALA 144 N 4.42 1.36 -0.42 1.54 0.00 -1.26 -1.13 120.51 125.02 3lml n ALA 144 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3lml n ALA 144 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.54 0.00 -3.44 0.00 0.24 -0.28 -4.85 118.33 109.46 3lml n VAL 145 Ca 0.08 -0.02 0.01 0.00 -2.04 0.00 0.00 64.34 62.37 3lml n VAL 145 Cb 0.42 1.42 -0.04 0.00 -1.47 0.00 0.00 33.84 34.17 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 -0.03 -0.60 -0.09 -1.34 2.15 -1.21 -4.98 116.67 110.58 3lml s ASP 146 Ca 0.00 0.84 0.02 0.00 0.43 0.00 0.00 52.55 53.83 3lml s ASP 146 Cb 0.00 1.64 0.02 0.00 -0.30 0.00 0.00 42.92 44.28 3lml s ASP 146 CO 0.00 -0.12 -0.13 -0.75 -0.17 0.00 0.00 175.17 174.01 3lml s LYS 147 N 2.35 1.85 -0.09 4.34 2.20 -1.26 0.41 119.74 129.54 3lml s LYS 147 Ca -0.03 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 3lml s LYS 147 Cb -0.06 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.67 3lml s LYS 147 CO -0.17 -0.05 -0.18 -0.65 -0.36 0.00 0.00 175.35 173.95 3lml s GLN 148 N 0.93 2.37 -0.82 4.03 -0.21 0.58 -5.00 119.66 121.55 3lml s GLN 148 Ca -0.09 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 54.52 3lml s GLN 148 Cb -0.15 -1.90 0.22 0.00 1.00 0.00 0.00 33.01 32.18 3lml s GLN 148 CO 0.00 0.05 0.75 0.08 -2.12 0.00 0.00 175.29 174.05 3lml s VAL 149 N 0.65 5.47 0.33 1.09 1.01 -1.26 -1.62 120.40 126.08 3lml s VAL 149 Ca -0.14 -2.52 0.09 0.00 0.00 0.00 0.00 61.98 59.41 3lml s VAL 149 Cb -0.16 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 3lml s VAL 149 CO 0.04 -1.02 0.01 0.68 0.00 0.00 0.00 175.10 174.81 3lml s VAL 150 N 0.13 2.72 -0.24 2.92 -7.23 -1.08 -4.89 120.40 112.72 3lml s VAL 150 Ca 0.18 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3lml s VAL 150 Cb -0.11 -2.79 -0.15 0.00 0.56 0.00 0.00 36.38 33.89 3lml s VAL 150 CO -0.09 -0.22 -0.24 0.61 -0.31 0.00 0.00 175.10 174.86 3lml n GLY 151 N -0.95 -0.35 3.60 2.32 0.00 -1.26 -0.49 105.19 108.06 3lml n GLY 151 Ca -0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.48 2.92 0.47 2.61 -1.32 -1.26 -4.78 115.64 111.80 3lml s THR 152 Ca -0.33 -2.06 0.13 0.00 -1.21 0.00 0.00 61.69 58.22 3lml s THR 152 Cb 0.09 -2.69 0.24 0.00 -1.51 0.00 0.00 72.50 68.63 3lml s THR 152 CO 0.54 -0.32 2.07 0.00 -2.21 0.00 0.00 174.62 174.70 3lml h ALA 153 N 1.95 1.82 -0.28 11.08 0.00 -1.95 -2.20 119.26 129.68 3lml h ALA 153 Ca -0.43 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3lml h ALA 153 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3lml h ALA 153 CO 0.62 0.14 -0.21 0.77 0.00 0.00 0.00 179.25 180.58 3lml h SER 154 N 0.13 0.52 0.04 0.00 0.02 -1.97 -2.88 113.55 109.41 3lml h SER 154 Ca 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3lml h SER 154 Cb 0.11 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3lml h SER 154 CO 0.00 0.73 0.00 -0.62 -1.14 0.00 0.00 176.83 175.81 3lml n GLU 155 N -4.14 0.17 -2.75 3.45 1.02 -0.83 -4.64 120.64 112.93 3lml n GLU 155 Ca 0.00 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 3lml n GLU 155 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.19 4.02 -0.22 -4.62 1.43 -1.09 -4.90 118.68 111.11 3lml s LEU 156 Ca 0.09 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.08 3lml s LEU 156 Cb 0.05 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 3lml s LEU 156 CO 0.09 -0.75 0.15 -0.63 0.23 0.00 0.00 176.35 175.44 3lml s ILE 157 N 3.32 5.38 0.40 -0.59 1.01 -1.26 -4.88 121.20 124.58 3lml s ILE 157 Ca 0.41 0.20 -0.25 0.00 0.00 0.00 0.00 60.65 61.00 3lml s ILE 157 Cb -0.13 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 3lml s ILE 157 CO 0.12 0.39 0.99 0.47 0.00 0.00 0.00 174.94 176.92 3lml n ASP 158 N 3.89 1.19 -3.79 3.58 10.43 -1.26 -4.96 116.55 125.63 3lml n ASP 158 Ca -0.15 1.05 -0.22 0.00 2.57 0.00 0.00 54.79 58.04 3lml n ASP 158 Cb 0.52 -1.33 -0.04 0.00 1.84 0.00 0.00 41.12 42.10 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 0.66 2.93 -0.28 -2.24 3.41 -0.96 -4.99 113.62 112.15 3lml n SER 159 Ca 0.09 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 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 -1.22 0.48 0.00 4.04 5.03 -1.26 -3.45 115.26 118.87 3lml n ASN 160 Ca -0.14 -1.70 0.00 0.00 0.87 0.00 0.00 54.58 53.61 3lml n ASN 160 Cb 0.43 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 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 -0.18 0.00 -4.38 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 -1.30 0.70 -0.23 -0.72 -7.23 -1.22 -1.81 120.40 108.58 3lml s VAL 162 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 3lml s VAL 162 Cb 0.00 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.40 3lml s VAL 162 CO 0.00 0.00 0.20 -0.44 -0.31 0.00 0.00 175.10 174.55 3lml s SER 163 N -3.40 1.99 0.10 4.85 0.01 0.52 -2.26 113.70 115.51 3lml s SER 163 Ca 0.36 -0.58 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 3lml s SER 163 Cb 0.07 0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.40 3lml s SER 163 CO 0.15 -0.36 0.81 -0.36 0.41 0.00 0.00 173.24 173.89 3lml s PHE 164 N 2.26 3.80 -0.46 2.43 0.08 -1.26 -2.21 117.98 122.62 3lml s PHE 164 Ca 0.07 1.60 -0.00 0.00 0.12 0.00 0.00 56.93 58.71 3lml s PHE 164 Cb -0.15 -2.86 0.12 0.00 -0.57 0.00 0.00 43.02 39.56 3lml s PHE 164 CO -0.20 0.33 0.23 0.15 -0.10 0.00 0.00 175.22 175.63 3lml s LYS 165 N -0.36 2.01 -0.08 0.44 1.02 -0.51 -4.95 119.74 117.32 3lml s LYS 165 Ca 0.40 -2.11 -0.30 0.00 0.02 0.00 0.00 55.97 53.98 3lml s LYS 165 Cb -0.22 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 3lml s LYS 165 CO 0.25 -1.07 1.27 -0.08 -0.92 0.00 0.00 175.35 174.80 3lml s THR 166 N 0.62 4.15 0.10 2.17 -1.32 -1.26 -3.83 115.64 116.26 3lml s THR 166 Ca 0.12 1.46 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 3lml s THR 166 Cb -0.22 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 3lml s THR 166 CO -0.04 -0.04 0.04 1.07 -2.21 0.00 0.00 174.62 173.43 3lml n THR 167 N 4.85 0.00 0.21 5.08 5.66 -1.26 -5.05 114.28 123.77 3lml n THR 167 Ca 0.12 -0.42 -0.13 0.00 -3.05 0.00 0.00 64.05 60.57 3lml n THR 167 Cb 0.45 -0.16 -0.07 0.00 -1.55 0.00 0.00 70.33 69.00 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 0.18 -0.48 0.00 1.09 0.02 -1.96 -3.16 113.55 109.23 3lml h SER 168 Ca -0.07 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3lml h SER 168 Cb 0.24 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3lml h SER 168 CO 0.12 -0.09 0.00 0.35 -1.14 0.00 0.00 176.83 176.07 3lml n THR 169 N -5.19 0.50 -2.21 -2.27 -2.24 -1.26 -4.86 114.28 96.73 3lml n THR 169 Ca -0.10 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 0.57 6.72 -0.11 3.42 0.01 -1.20 -4.53 113.70 118.58 3lml s SER 170 Ca 0.00 1.84 -0.04 0.00 1.31 0.00 0.00 55.95 59.07 3lml s SER 170 Cb 0.00 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.74 3lml s SER 170 CO 0.00 -0.94 0.08 -1.61 0.41 0.00 0.00 173.24 171.19 3lml s GLU 171 N 3.96 -0.00 -0.96 12.44 0.41 -1.03 -4.89 118.70 128.63 3lml s GLU 171 Ca 0.65 0.17 -0.24 0.00 -0.41 0.00 0.00 54.97 55.14 3lml s GLU 171 Cb -0.26 -1.12 0.04 0.00 -1.78 0.00 0.00 34.13 31.01 3lml s GLU 171 CO 0.23 -0.49 1.46 -1.17 -0.49 0.00 0.00 175.26 174.80 3lml s LEU 172 N 2.17 3.42 0.20 1.80 0.20 -1.26 -2.26 118.68 122.94 3lml s LEU 172 Ca 0.04 -1.21 -0.15 0.00 0.69 0.00 0.00 54.13 53.50 3lml s LEU 172 Cb -0.14 -2.57 -0.08 0.00 -0.43 0.00 0.00 46.19 42.98 3lml s LEU 172 CO -0.06 -1.66 0.62 -1.10 -0.29 0.00 0.00 176.35 173.86 3lml s GLN 173 N 5.27 4.04 0.35 1.98 1.11 -1.26 -5.00 119.66 126.15 3lml s GLN 173 Ca 0.46 0.59 -0.28 0.00 0.01 0.00 0.00 55.36 56.14 3lml s GLN 173 Cb -0.02 -2.82 -0.11 0.00 -1.01 0.00 0.00 33.01 29.05 3lml s GLN 173 CO -0.05 0.40 1.38 1.14 0.01 0.00 0.00 175.29 178.17 3lml s GLN 174 N -2.18 4.25 -0.01 2.91 1.03 -1.26 -4.48 119.66 119.92 3lml s GLN 174 Ca 0.42 2.36 0.03 0.00 0.04 0.00 0.00 55.36 58.21 3lml s GLN 174 Cb -0.14 -3.03 -0.00 0.00 0.03 0.00 0.00 33.01 29.86 3lml s GLN 174 CO 0.20 -0.33 -0.08 0.45 -2.54 0.00 0.00 175.29 172.98 3lml s SER 175 N -0.33 1.05 0.39 12.60 0.15 0.33 -4.95 113.70 122.94 3lml s SER 175 Ca 0.51 -0.16 0.19 0.00 0.70 0.00 0.00 55.95 57.18 3lml s SER 175 Cb -0.43 -0.18 0.76 0.00 -1.71 0.00 0.00 66.02 64.47 3lml s SER 175 CO 0.57 0.09 1.78 0.77 1.20 0.00 0.00 173.24 177.64 3lml h SER 176 N 6.10 0.00 0.00 5.45 4.64 -1.92 -3.06 113.55 124.76 3lml h SER 176 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 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 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 3lml n GLY 177 N 0.05 0.17 3.62 -0.77 0.00 -1.26 -4.86 105.19 102.14 3lml n GLY 177 Ca -0.01 0.45 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 5.32 0.06 2.61 -1.32 -0.89 -4.96 115.64 116.46 3lml s THR 178 Ca 0.00 0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.65 3lml s THR 178 Cb 0.00 -3.53 -0.05 0.00 -1.51 0.00 0.00 72.50 67.41 3lml s THR 178 CO 0.00 0.29 0.28 0.28 -2.21 0.00 0.00 174.62 173.25 3lml s THR 179 N 1.46 5.30 0.67 5.08 -1.32 -1.26 -2.13 115.64 123.43 3lml s THR 179 Ca 0.08 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 3lml s THR 179 Cb -0.15 -3.60 -0.01 0.00 -1.51 0.00 0.00 72.50 67.24 3lml s THR 179 CO 0.08 0.21 1.06 -0.76 -2.21 0.00 0.00 174.62 172.99 3lml s LEU 180 N -2.24 3.22 0.14 9.08 1.02 -0.72 -4.83 118.68 124.35 3lml s LEU 180 Ca 0.33 1.65 -0.21 0.00 0.02 0.00 0.00 54.13 55.92 3lml s LEU 180 Cb -0.13 -4.50 0.06 0.00 0.02 0.00 0.00 46.19 41.64 3lml s LEU 180 CO 0.22 -1.35 0.55 0.54 0.02 0.00 0.00 176.35 176.33 3lml s VAL 181 N -2.91 0.02 0.00 -1.59 0.11 0.35 -4.61 120.40 111.77 3lml s VAL 181 Ca 0.59 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 3lml s VAL 181 Cb -0.14 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3lml s VAL 181 CO 0.51 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 3lml n GLY 182 N -0.29 0.66 3.73 6.54 0.00 -1.26 -0.94 105.19 113.64 3lml n GLY 182 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.93 2.44 0.05 -0.02 0.00 -1.26 -4.53 107.32 103.07 3lml s GLY 183 Ca 0.00 1.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.59 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 0.24 0.04 -0.11 0.90 -4.23 -1.11 -4.27 115.64 107.10 3lml s THR 184 Ca 0.57 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3lml s THR 184 Cb -0.35 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.52 3lml s THR 184 CO 0.37 -0.19 -0.15 1.51 -0.54 0.00 0.00 174.62 175.62 3lml s ASP 185 N -2.05 2.43 0.19 3.99 -4.77 -1.26 -0.18 116.67 115.02 3lml s ASP 185 Ca -0.05 -0.43 -0.30 0.00 -3.30 0.00 0.00 52.55 48.48 3lml s ASP 185 Cb -0.01 -1.08 -0.08 0.00 -1.09 0.00 0.00 42.92 40.66 3lml s ASP 185 CO -0.03 0.01 1.07 0.00 0.70 0.00 0.00 175.17 176.92 3lml s GLN 186 N 1.03 4.63 0.81 2.11 -2.07 -0.53 -4.97 119.66 120.67 3lml s GLN 186 Ca -0.06 1.68 -0.15 0.00 -1.82 0.00 0.00 55.36 55.01 3lml s GLN 186 Cb -0.15 -3.28 -0.01 0.00 -1.09 0.00 0.00 33.01 28.48 3lml s GLN 186 CO -0.02 0.14 0.46 -0.35 -1.32 0.00 0.00 175.29 174.20 3lml n PRO 187 N 2.22 0.09 -2.29 9.60 -0.04 -1.26 -4.34 135.00 138.98 3lml n PRO 187 Ca 0.02 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 3lml n PRO 187 Cb 0.46 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.08 3.91 0.05 0.52 1.01 -1.26 -4.93 120.40 117.62 3lml s VAL 188 Ca 0.62 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3lml s VAL 188 Cb -0.30 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3lml s VAL 188 CO 0.62 -0.02 0.18 0.28 0.00 0.00 0.00 175.10 176.15 3lml s THR 189 N 2.60 5.21 0.59 3.92 -1.32 -1.26 -4.97 115.64 120.40 3lml s THR 189 Ca 0.61 -0.43 0.33 0.00 -1.21 0.00 0.00 61.69 61.00 3lml s THR 189 Cb -0.29 -3.52 0.33 0.00 -1.51 0.00 0.00 72.50 67.52 3lml s THR 189 CO 0.24 0.17 2.01 0.78 -2.21 0.00 0.00 174.62 175.62 3lml h ASN 190 N 3.26 0.00 -0.49 8.08 -0.26 -2.02 0.20 115.58 124.35 3lml h ASN 190 Ca -0.46 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.17 3lml h ASN 190 Cb 1.17 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.41 3lml h ASN 190 CO 0.73 0.00 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.91 3lml h LEU 191 N 0.00 0.98 -1.03 1.61 3.38 -2.01 -2.99 115.31 115.25 3lml h LEU 191 Ca 0.00 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3lml h LEU 191 Cb 0.42 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3lml h LEU 191 CO 0.00 1.10 0.64 0.44 0.09 0.00 0.00 178.44 180.71 3lml h ASP 192 N 0.87 0.99 0.24 -0.43 3.45 -0.91 0.15 116.42 120.77 3lml h ASP 192 Ca 0.13 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 3lml h ASP 192 Cb 0.67 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3lml h ASP 192 CO 0.05 0.60 -0.20 1.88 -1.57 0.00 0.00 179.24 180.00 3lml h TYR 193 N 1.11 0.00 -0.12 4.55 -1.99 -1.58 -0.73 116.97 118.21 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 0.27 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 3lml h TYR 193 CO -0.00 0.20 -0.20 1.15 -0.00 0.00 0.00 178.16 179.31 3lml h THR 194 N 0.00 1.38 -0.19 -2.88 2.02 -0.99 -2.80 112.91 109.44 3lml h THR 194 Ca -0.00 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.75 3lml h THR 194 Cb 0.38 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3lml h THR 194 CO 0.03 0.42 0.13 1.56 0.37 0.00 0.00 175.52 178.03 3lml h GLN 195 N -0.07 0.17 -0.24 6.66 1.08 -0.72 -1.39 115.11 120.59 3lml h GLN 195 Ca 0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3lml h GLN 195 Cb 0.77 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3lml h GLN 195 CO 0.05 0.11 0.13 0.35 -0.95 0.00 0.00 178.83 178.51 3lml h PHE 196 N 0.17 0.34 0.00 2.96 -0.00 -1.00 -1.03 116.94 118.37 3lml h PHE 196 Ca 0.08 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.01 3lml h PHE 196 Cb 0.10 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 35.94 3lml h PHE 196 CO -0.00 0.30 -0.12 -0.07 -0.00 0.00 0.00 178.31 178.43 3lml h LEU 197 N 0.28 0.00 0.03 0.59 3.38 -1.01 0.70 115.31 119.28 3lml h LEU 197 Ca 0.09 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 3lml h LEU 197 Cb 0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 3lml h LEU 197 CO -0.01 0.12 -0.90 0.58 0.09 0.00 0.00 178.44 178.32 3lml h VAL 198 N 0.00 1.35 0.00 1.22 2.07 -0.94 -3.11 116.25 116.84 3lml h VAL 198 Ca -0.00 -2.24 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 3lml h VAL 198 Cb 0.31 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3lml h VAL 198 CO 0.01 0.67 -0.28 0.28 0.02 0.00 0.00 177.57 178.28 3lml h SER 199 N 0.13 0.00 0.18 0.57 0.02 -0.85 -2.86 113.55 110.74 3lml h SER 199 Ca -0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3lml h SER 199 Cb 1.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 3lml h SER 199 CO 0.17 0.28 -0.03 0.00 -1.14 0.00 0.00 176.83 176.11 3lml h ALA 200 N 1.72 1.26 -0.01 3.77 0.00 -0.79 -1.87 119.26 123.33 3lml h ALA 200 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3lml h ALA 200 Cb 0.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3lml h ALA 200 CO 0.04 0.04 -0.28 0.93 0.00 0.00 0.00 179.25 179.98 3lml h GLU 201 N 0.00 0.02 -0.94 0.00 5.08 -1.54 -2.98 114.58 114.23 3lml h GLU 201 Ca -0.00 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 3lml h GLU 201 Cb 0.13 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.16 3lml h GLU 201 CO 0.00 0.30 0.48 0.41 -1.00 0.00 0.00 179.01 179.21 3lml n GLY 202 N -0.72 3.96 3.17 -3.84 0.00 -0.70 -4.92 105.19 102.14 3lml n GLY 202 Ca -0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.84 0.97 -0.43 1.61 0.41 -1.13 -5.11 118.70 112.17 3lml s GLU 203 Ca 0.50 -0.83 -0.15 0.00 -0.41 0.00 0.00 54.97 54.08 3lml s GLU 203 Cb 0.41 -1.00 0.04 0.00 -1.78 0.00 0.00 34.13 31.80 3lml s GLU 203 CO 0.10 0.24 0.33 0.71 -0.49 0.00 0.00 175.26 176.15 3lml s TYR 204 N -0.93 3.24 0.11 1.61 4.12 -1.26 -5.04 117.35 119.21 3lml s TYR 204 Ca 0.02 -0.76 -0.04 0.00 0.02 0.00 0.00 57.07 56.31 3lml s TYR 204 Cb -0.08 -2.79 -0.03 0.00 -1.52 0.00 0.00 41.96 37.54 3lml s TYR 204 CO 0.02 -0.67 0.10 -0.59 0.02 0.00 0.00 175.55 174.42 3lml s PHE 205 N 1.65 0.60 -0.19 2.71 -0.12 -1.26 -5.00 117.98 116.36 3lml s PHE 205 Ca 0.04 -1.01 -0.16 0.00 -0.05 0.00 0.00 56.93 55.75 3lml s PHE 205 Cb -0.21 -0.32 -0.20 0.00 -0.63 0.00 0.00 43.02 41.66 3lml s PHE 205 CO 0.08 -0.53 0.18 -0.25 -0.05 0.00 0.00 175.22 174.65 3lml n ASP 206 N -0.07 1.95 -4.25 1.98 9.92 0.12 -4.93 116.55 121.28 3lml n ASP 206 Ca -0.09 0.33 -0.20 0.00 -0.53 0.00 0.00 54.79 54.30 3lml n ASP 206 Cb 0.63 -0.90 -0.12 0.00 -0.64 0.00 0.00 41.12 40.09 3lml n ASP 206 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3lml s THR 207 N -2.44 1.43 -0.06 -3.53 2.01 -1.22 -2.38 115.64 109.45 3lml s THR 207 Ca -0.28 -1.61 0.04 0.00 0.31 0.00 0.00 61.69 60.14 3lml s THR 207 Cb 0.07 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.11 3lml s THR 207 CO 0.63 -0.28 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.61 3lml s ILE 208 N -1.71 1.46 -0.10 1.82 2.07 0.76 -1.18 121.20 124.32 3lml s ILE 208 Ca 0.07 -0.70 -0.05 0.00 -1.41 0.00 0.00 60.65 58.56 3lml s ILE 208 Cb -0.07 -1.28 -0.04 0.00 0.13 0.00 0.00 42.46 41.20 3lml s ILE 208 CO 0.04 0.42 0.10 0.00 -1.91 0.00 0.00 174.94 173.59 3lml s ALA 209 N 0.32 3.71 -0.57 1.50 0.00 0.00 -1.68 121.76 125.04 3lml s ALA 209 Ca -0.11 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3lml s ALA 209 Cb -0.14 -1.82 0.21 0.00 0.00 0.00 0.00 23.12 21.37 3lml s ALA 209 CO 0.04 0.62 0.56 0.34 0.00 0.00 0.00 175.76 177.31 3lml n PHE 210 N 1.97 1.93 0.14 0.00 -0.00 -0.53 -4.44 117.46 116.53 3lml n PHE 210 Ca -0.19 -3.93 0.00 0.00 -0.00 0.00 0.00 57.45 53.32 3lml n PHE 210 Cb 0.54 -0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.63 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 1.64 0.50 -2.31 -7.13 -0.04 -1.26 -4.55 135.00 121.85 3lml n PRO 211 Ca 0.25 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 3lml n PRO 211 Cb 0.43 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.74 3.17 0.38 0.52 0.11 -1.26 -4.76 120.40 119.29 3lml s VAL 212 Ca 0.00 1.01 -0.27 0.00 -2.93 0.00 0.00 61.98 59.79 3lml s VAL 212 Cb 0.00 -3.58 -0.11 0.00 -1.53 0.00 0.00 36.38 31.16 3lml s VAL 212 CO 0.00 0.12 1.34 -0.24 -3.33 0.00 0.00 175.10 173.00 3lml n SER 213 N 0.25 3.01 0.00 3.54 2.88 -1.26 -4.81 113.62 117.24 3lml n SER 213 Ca 0.03 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3lml n SER 213 Cb 0.46 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 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 0.50 0.00 0.00 -3.46 7.64 -1.26 -3.72 113.62 113.32 3lml n SER 214 Ca 0.04 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3lml n SER 214 Cb 0.38 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.42 0.00 -4.57 6.43 7.64 -1.26 -4.57 113.62 115.87 3lml n SER 215 Ca 0.00 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 3lml n SER 215 Cb 0.02 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.28 2.82 0.08 6.43 -0.08 -1.24 -4.85 116.55 119.42 3lml n ASP 216 Ca 0.00 -0.02 -0.11 0.00 -1.51 0.00 0.00 54.79 53.15 3lml n ASP 216 Cb 0.00 -1.53 -0.03 0.00 2.34 0.00 0.00 41.12 41.89 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 7.35 1.44 -0.15 5.18 2.07 -1.89 -3.30 116.25 126.96 3lml h VAL 217 Ca -0.34 -2.54 0.05 0.00 0.82 0.00 0.00 66.70 64.68 3lml h VAL 217 Cb 1.26 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 33.43 3lml h VAL 217 CO 1.04 0.75 -0.20 0.00 0.02 0.00 0.00 177.57 179.17 3lml h ALA 218 N 0.83 -0.14 -0.08 1.67 0.00 -1.99 -1.47 119.26 118.09 3lml h ALA 218 Ca -0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3lml h ALA 218 Cb 1.56 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 3lml h ALA 218 CO 0.15 -0.65 -0.44 -0.07 0.00 0.00 0.00 179.25 178.24 3lml h LEU 219 N -0.25 -1.38 -0.98 0.00 3.38 -1.98 0.89 115.31 115.00 3lml h LEU 219 Ca 0.11 0.17 0.23 0.00 0.09 0.00 0.00 57.88 58.48 3lml h LEU 219 Cb 0.41 0.55 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 3lml h LEU 219 CO -0.29 -0.45 0.55 0.11 0.09 0.00 0.00 178.44 178.45 3lml h LYS 220 N -0.54 0.54 -0.08 1.13 1.57 -1.56 0.26 116.57 117.90 3lml h LYS 220 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3lml h LYS 220 Cb 0.65 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3lml h LYS 220 CO -0.38 0.36 -0.02 1.15 -0.57 0.00 0.00 179.45 179.99 3lml h THR 221 N 0.56 1.30 0.00 -0.16 2.02 0.02 -1.45 112.91 115.21 3lml h THR 221 Ca 0.62 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3lml h THR 221 Cb 1.15 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3lml h THR 221 CO -0.48 0.27 -0.03 0.77 0.37 0.00 0.00 175.52 176.42 3lml h SER 222 N -0.20 0.00 0.14 4.18 4.64 0.84 -1.10 113.55 122.05 3lml h SER 222 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3lml h SER 222 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3lml h SER 222 CO 0.01 0.03 -0.07 0.15 -0.87 0.00 0.00 176.83 176.08 3lml h PHE 223 N 0.00 -0.17 -0.78 4.77 3.57 -0.21 -1.88 116.94 122.23 3lml h PHE 223 Ca -0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.63 3lml h PHE 223 Cb 0.09 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3lml h PHE 223 CO 0.00 0.26 0.52 0.28 -2.23 0.00 0.00 178.31 177.14 3lml h VAL 224 N -0.72 0.84 -0.06 1.41 2.07 -0.49 -0.62 116.25 118.68 3lml h VAL 224 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3lml h VAL 224 Cb 0.52 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3lml h VAL 224 CO 0.03 0.10 -0.00 0.28 0.02 0.00 0.00 177.57 177.99 3lml h SER 225 N 0.53 0.11 -0.65 0.57 0.02 -1.19 -1.03 113.55 111.92 3lml h SER 225 Ca 0.38 -0.33 0.14 0.00 -0.84 0.00 0.00 61.79 61.14 3lml h SER 225 Cb 0.73 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.13 3lml h SER 225 CO -0.14 0.42 0.06 0.15 -1.14 0.00 0.00 176.83 176.17 3lml h PHE 226 N -0.19 0.06 -0.45 3.45 3.04 -0.29 0.23 116.94 122.79 3lml h PHE 226 Ca 0.02 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 3lml h PHE 226 Cb 0.36 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 3lml h PHE 226 CO 0.04 -0.14 0.01 0.28 -2.02 0.00 0.00 178.31 176.48 3lml h VAL 227 N 0.16 1.26 -0.64 1.41 2.07 -1.12 -2.94 116.25 116.45 3lml h VAL 227 Ca 0.35 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.92 3lml h VAL 227 Cb 0.58 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3lml h VAL 227 CO -0.52 0.35 0.33 0.11 0.02 0.00 0.00 177.57 177.86 3lml h LYS 228 N 0.63 0.58 -0.65 1.57 1.57 0.22 -1.18 116.57 119.31 3lml h LYS 228 Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3lml h LYS 228 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3lml h LYS 228 CO 0.02 0.39 0.00 0.54 -0.57 0.00 0.00 179.45 179.83 3lml n ARG 229 N -4.84 0.06 0.00 3.15 1.74 -0.07 -0.67 116.66 116.01 3lml n ARG 229 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3lml n ARG 229 Cb 0.20 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.63 0.00 0.00 5.56 1.74 -0.45 0.78 116.66 124.92 3lml n ARG 231 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3lml n ARG 231 Cb 0.02 0.00 0.75 0.00 -1.02 0.00 0.00 32.46 32.20 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 0.15 -2.09 116.55 123.16 3lml n ASP 232 Ca 0.00 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.33 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 -0.90 0.00 0.02 -1.24 2.13 0.23 -4.78 120.64 116.10 3lml n GLU 233 Ca 0.19 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.12 3lml n GLU 233 Cb 0.09 -0.63 0.10 0.00 0.27 0.00 0.00 31.44 31.27 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 -2.64 0.17 -0.74 5.31 -0.06 -0.51 -4.95 117.38 113.96 3lml n GLN 234 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 3lml n GLN 234 Cb 0.41 -1.57 0.00 0.00 -4.06 0.00 0.00 30.24 25.02 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 1.42 0.81 3.43 1.69 0.00 -0.89 -4.99 105.19 106.65 3lml n GLY 235 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.08 4.63 -1.15 1.61 1.01 -1.25 -4.83 120.40 117.34 3lml s VAL 236 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 3lml s VAL 236 Cb 0.00 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.88 3lml s VAL 236 CO 0.00 -1.17 1.71 -0.54 0.00 0.00 0.00 175.10 175.10 3lml s LYS 237 N 3.23 3.45 0.40 2.72 -0.14 -1.26 -2.79 119.74 125.34 3lml s LYS 237 Ca 0.17 -1.40 0.08 0.00 -1.36 0.00 0.00 55.97 53.46 3lml s LYS 237 Cb -0.20 -5.38 -0.03 0.00 -1.68 0.00 0.00 37.83 30.54 3lml s LYS 237 CO 0.10 -2.66 0.33 0.96 -0.76 0.00 0.00 175.35 173.32 3lml s ILE 238 N 6.27 2.81 0.01 2.17 -4.36 -1.26 -4.83 121.20 122.01 3lml s ILE 238 Ca 0.56 -1.40 0.06 0.00 -0.26 0.00 0.00 60.65 59.61 3lml s ILE 238 Cb 0.01 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 3lml s ILE 238 CO 0.02 -0.04 -0.16 -0.54 0.24 0.00 0.00 174.94 174.47 3lml s LYS 239 N -4.07 2.26 0.12 0.37 -0.14 -1.00 -4.88 119.74 112.40 3lml s LYS 239 Ca 0.46 -0.87 0.11 0.00 -1.36 0.00 0.00 55.97 54.31 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 0.57 -0.26 0.20 -0.76 0.00 0.00 175.35 175.37 3lml s GLY 240 N -1.23 1.57 -0.14 -3.33 0.00 -0.26 -0.17 107.32 103.76 3lml s GLY 240 Ca 0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 3lml s GLY 240 CO 0.04 -1.40 -0.01 0.14 0.00 0.00 0.00 173.10 171.87 3lml s VAL 241 N -1.04 0.65 0.15 1.40 1.01 -0.67 -0.40 120.40 121.49 3lml s VAL 241 Ca 0.14 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3lml s VAL 241 Cb -0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3lml s VAL 241 CO 0.06 0.08 -0.11 0.68 0.00 0.00 0.00 175.10 175.81 3lml s VAL 242 N 1.83 1.20 -0.11 2.92 -7.23 -1.04 -1.46 120.40 116.51 3lml s VAL 242 Ca 0.02 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 3lml s VAL 242 Cb -0.15 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 3lml s VAL 242 CO -0.07 -0.71 0.30 0.00 -0.31 0.00 0.00 175.10 174.32 3lml s ALA 243 N -3.17 3.66 0.00 1.32 0.00 -1.26 -1.36 121.76 120.95 3lml s ALA 243 Ca 0.16 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 3lml s ALA 243 Cb 0.02 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3lml s ALA 243 CO 0.01 0.27 0.00 0.09 0.00 0.00 0.00 175.76 176.13 3lml n ASN 244 N 2.90 -3.14 -3.12 0.00 3.02 0.36 -4.90 115.26 110.38 3lml n ASN 244 Ca -0.14 1.27 -0.19 0.00 -0.03 0.00 0.00 54.58 55.49 3lml n ASN 244 Cb 0.52 -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 1.98 0.48 0.00 3.52 -0.04 -1.26 -5.06 135.00 134.61 3lml n PRO 246 Ca -0.01 -2.76 0.08 0.00 -0.04 0.00 0.00 63.50 60.77 3lml n PRO 246 Cb 0.01 -1.48 0.41 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.31 1.91 -4.31 0.55 0.00 -1.26 -4.86 120.51 114.84 3lml n ALA 247 Ca 0.22 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 3lml n ALA 247 Cb 0.53 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.25 -0.56 -3.86 0.00 -0.08 -1.17 -4.90 116.55 104.72 3lml n ASP 248 Ca 0.08 -1.19 -0.16 0.00 -1.51 0.00 0.00 54.79 52.01 3lml n ASP 248 Cb 0.12 -1.98 -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 -3.87 0.33 -1.84 -0.67 5.04 -1.25 -4.52 117.35 110.57 3lml s TYR 249 Ca 0.32 -0.03 0.12 0.00 -2.44 0.00 0.00 57.07 55.04 3lml s TYR 249 Cb -0.19 -0.34 0.69 0.00 0.35 0.00 0.00 41.96 42.48 3lml s TYR 249 CO 0.98 -0.09 1.19 -0.85 -1.34 0.00 0.00 175.55 175.45 3lml n GLU 250 N 3.71 0.32 0.00 4.97 0.00 -1.26 -1.99 120.64 126.40 3lml n GLU 250 Ca -0.22 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.11 3lml n GLU 250 Cb 0.53 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.61 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 -0.25 0.65 3.24 -1.84 0.00 -1.26 -4.90 105.19 100.82 3lml n GLY 251 Ca 0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.11 1.70 -0.20 -0.61 1.09 -0.84 -1.11 121.20 119.13 3lml s ILE 252 Ca 0.27 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 58.82 3lml s ILE 252 Cb 0.20 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 3lml s ILE 252 CO 0.37 0.48 0.07 -0.63 -0.10 0.00 0.00 174.94 175.13 3lml s ILE 253 N -0.51 4.80 -0.75 2.92 -1.09 0.46 -0.49 121.20 126.54 3lml s ILE 253 Ca 0.08 -0.03 -0.15 0.00 -2.23 0.00 0.00 60.65 58.33 3lml s ILE 253 Cb -0.08 -3.18 0.19 0.00 -1.58 0.00 0.00 42.46 37.81 3lml s ILE 253 CO -0.01 0.43 0.70 0.21 -1.23 0.00 0.00 174.94 175.04 3lml s ASN 254 N 0.59 6.61 0.12 3.58 3.04 -1.26 -2.49 114.94 125.13 3lml s ASN 254 Ca 0.04 -2.44 -0.31 0.00 0.04 0.00 0.00 52.86 50.18 3lml s ASN 254 Cb -0.13 -2.21 -0.09 0.00 -1.54 0.00 0.00 41.25 37.29 3lml s ASN 254 CO 0.01 -0.65 1.50 -0.69 -3.04 0.00 0.00 177.10 174.23 3lml s VAL 255 N 0.56 3.03 -0.07 -5.21 1.01 -0.46 -0.54 120.40 118.72 3lml s VAL 255 Ca 0.14 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 3lml s VAL 255 Cb -0.16 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3lml s VAL 255 CO -0.06 0.04 -0.09 -1.14 0.00 0.00 0.00 175.10 173.85 3lml n ARG 256 N 4.31 0.21 -3.76 2.72 3.00 -0.71 -0.49 116.66 121.93 3lml n ARG 256 Ca 0.13 0.32 -0.24 0.00 -0.00 0.00 0.00 57.85 58.06 3lml n ARG 256 Cb 0.41 -1.11 -0.01 0.00 0.00 0.00 0.00 32.46 31.74 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 -4.56 4.76 0.00 6.15 4.22 -1.26 -4.70 114.94 119.55 3lml s ASN 257 Ca -0.08 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.58 3lml s ASN 257 Cb 0.01 0.05 0.00 0.00 1.28 0.00 0.00 41.25 42.59 3lml s ASN 257 CO 0.11 -0.95 0.00 0.61 -2.04 0.00 0.00 177.10 174.84 3lml n GLY 258 N -1.69 4.62 3.29 0.45 0.00 -0.72 -4.32 105.19 106.82 3lml n GLY 258 Ca 0.01 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 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 0.38 0.00 -0.11 1.61 -7.23 -0.69 -1.43 120.40 112.93 3lml s VAL 259 Ca 0.00 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3lml s VAL 259 Cb 0.00 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.47 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 -3.79 1.21 0.77 5.32 2.01 0.18 -0.75 115.64 120.59 3lml s THR 260 Ca 0.37 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 3lml s THR 260 Cb 0.04 -1.16 0.06 0.00 0.01 0.00 0.00 72.50 71.44 3lml s THR 260 CO 0.18 0.39 1.12 -0.76 -0.69 0.00 0.00 174.62 174.86 3lml s LEU 261 N 1.31 2.64 0.24 4.42 1.43 -0.12 -0.22 118.68 128.39 3lml s LEU 261 Ca -0.01 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 3lml s LEU 261 Cb -0.14 -3.68 0.36 0.00 0.03 0.00 0.00 46.19 42.76 3lml s LEU 261 CO -0.05 -1.74 1.82 -0.09 0.23 0.00 0.00 176.35 176.52 3lml h ARG 262 N -0.93 0.79 0.00 1.70 2.43 -1.48 0.45 114.38 117.33 3lml h ARG 262 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3lml h ARG 262 Cb 1.29 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3lml h ARG 262 CO 0.63 0.52 0.00 -0.40 -1.51 0.00 0.00 179.97 179.21 3lml n ASP 263 N -4.72 0.00 0.00 -3.80 5.68 -1.26 -4.81 116.55 107.64 3lml n ASP 263 Ca 0.12 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 3lml n ASP 263 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 -0.14 1.13 3.74 6.12 0.00 0.15 -5.03 105.19 111.17 3lml n GLY 264 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.44 2.20 -0.21 2.61 2.01 -1.25 -4.72 115.64 113.83 3lml s THR 265 Ca 0.00 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 3lml s THR 265 Cb 0.00 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3lml s THR 265 CO 0.00 0.02 0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 3lml s ILE 266 N 0.24 5.27 -0.25 1.82 1.01 -1.26 -0.95 121.20 127.09 3lml s ILE 266 Ca 0.65 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.41 3lml s ILE 266 Cb -0.47 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3lml s ILE 266 CO 0.44 0.41 -0.03 -0.76 0.00 0.00 0.00 174.94 175.00 3lml s LEU 267 N 0.60 3.19 0.60 2.97 1.43 0.08 -5.02 118.68 122.53 3lml s LEU 267 Ca 0.07 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 3lml s LEU 267 Cb -0.12 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3lml s LEU 267 CO 0.00 -0.10 1.09 -1.61 0.23 0.00 0.00 176.35 175.96 3lml s GLU 268 N 1.41 3.17 0.34 1.70 2.02 -1.26 -1.70 118.70 124.36 3lml s GLU 268 Ca 0.03 1.36 0.12 0.00 0.02 0.00 0.00 54.97 56.49 3lml s GLU 268 Cb -0.16 -2.00 0.94 0.00 0.10 0.00 0.00 34.13 33.01 3lml s GLU 268 CO -0.03 -0.95 1.73 -1.00 0.02 0.00 0.00 175.26 175.03 3lml h PRO 269 N 0.51 0.51 0.00 0.39 0.13 -1.86 0.86 132.00 132.54 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 1.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3lml h PRO 269 CO 0.56 0.34 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 3lml n HIS 270 N -4.85 0.58 -0.07 1.56 1.44 -1.26 -1.74 115.22 110.88 3lml n HIS 270 Ca 0.27 0.28 -0.19 0.00 -2.01 0.00 0.00 57.72 56.07 3lml n HIS 270 Cb 0.79 -0.95 -0.13 0.00 0.12 0.00 0.00 29.99 29.83 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 -2.08 0.69 0.22 -1.40 6.02 0.29 -4.14 117.38 116.98 3lml n GLN 271 Ca -0.00 0.19 0.17 0.00 -0.01 0.00 0.00 57.00 57.35 3lml n GLN 271 Cb 0.08 -1.60 0.85 0.00 1.02 0.00 0.00 30.24 30.60 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 0.03 0.44 -0.95 5.09 2.07 -0.38 -1.05 116.25 121.50 3lml h VAL 272 Ca -0.51 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.17 3lml h VAL 272 Cb 1.96 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3lml h VAL 272 CO -0.01 0.00 0.60 -0.37 0.02 0.00 0.00 177.57 177.81 3lml h VAL 273 N 0.00 0.78 -0.35 2.57 -1.51 -1.60 -0.49 116.25 115.65 3lml h VAL 273 Ca 0.07 -0.25 0.08 0.00 -1.23 0.00 0.00 66.70 65.37 3lml h VAL 273 Cb 0.43 -0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.51 3lml h VAL 273 CO -0.00 0.13 -0.21 0.00 -1.23 0.00 0.00 177.57 176.26 3lml h ALA 274 N 1.60 0.02 0.61 5.19 0.00 -1.45 0.51 119.26 125.74 3lml h ALA 274 Ca 0.50 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 3lml h ALA 274 Cb 0.82 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3lml h ALA 274 CO -0.27 -0.60 -0.29 2.35 0.00 0.00 0.00 179.25 180.44 3lml h TRP 275 N -0.16 -0.75 -1.03 0.00 7.01 -1.26 -2.78 115.95 116.97 3lml h TRP 275 Ca 0.17 -0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.42 3lml h TRP 275 Cb 0.43 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.66 3lml h TRP 275 CO -0.42 -0.43 0.68 0.28 -2.79 0.00 0.00 178.44 175.76 3lml h VAL 276 N -0.92 0.53 0.60 2.65 2.07 -0.95 0.41 116.25 120.65 3lml h VAL 276 Ca -0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3lml h VAL 276 Cb 0.66 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3lml h VAL 276 CO 0.14 0.06 -0.29 0.00 0.02 0.00 0.00 177.57 177.49 3lml h ALA 277 N 1.59 -0.81 0.00 1.67 0.00 0.24 0.33 119.26 122.28 3lml h ALA 277 Ca 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3lml h ALA 277 Cb 1.57 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3lml h ALA 277 CO -0.22 -0.95 -0.05 0.78 0.00 0.00 0.00 179.25 178.81 3lml h GLY 278 N -0.83 0.00 0.81 0.00 0.00 -0.38 0.52 103.07 103.19 3lml h GLY 278 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3lml h GLY 278 CO 0.14 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.70 3lml h ALA 279 N 1.95 0.20 -0.24 3.60 0.00 0.50 -1.87 119.26 123.39 3lml h ALA 279 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3lml h ALA 279 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lml h ALA 279 CO 0.01 -0.13 -0.51 0.22 0.00 0.00 0.00 179.25 178.83 3lml h ASP 280 N 0.02 0.75 0.66 0.00 1.82 -0.31 -2.46 116.42 116.90 3lml h ASP 280 Ca 0.04 -0.39 -0.06 0.00 -0.39 0.00 0.00 57.03 56.24 3lml h ASP 280 Cb 0.31 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 3lml h ASP 280 CO 0.00 1.13 -0.28 0.00 -1.61 0.00 0.00 179.24 178.48 3lml h ALA 281 N 0.89 1.14 0.00 -0.78 0.00 -0.87 -3.14 119.26 116.50 3lml h ALA 281 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3lml h ALA 281 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3lml h ALA 281 CO 0.10 0.35 -1.51 -1.13 0.00 0.00 0.00 179.25 177.07 3lml n SER 282 N -3.62 0.47 -4.62 0.00 3.41 -0.71 -2.98 113.62 105.57 3lml n SER 282 Ca -0.01 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.36 3lml n SER 282 Cb 0.41 1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.26 0.19 -1.15 7.33 0.00 -0.93 -4.68 120.51 119.01 3lml n ALA 283 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3lml n ALA 283 Cb 0.62 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 0.97 0.00 0.00 0.00 2.88 -1.26 -5.00 113.62 111.21 3lml n SER 284 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3lml n SER 284 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 -4.65 2.46 4.77 -1.26 -4.58 117.00 113.74 3lml n LEU 286 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3lml n LEU 286 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3lml n LEU 286 CO 0.00 0.00 -0.33 -0.54 -1.33 0.00 0.00 177.39 175.19 3lml s LYS 287 N 0.00 2.99 0.43 3.23 3.01 -1.26 -5.12 119.74 123.01 3lml s LYS 287 Ca 0.00 -0.44 -0.04 0.00 -1.01 0.00 0.00 55.97 54.48 3lml s LYS 287 Cb 0.00 -2.76 0.09 0.00 -1.01 0.00 0.00 37.83 34.15 3lml s LYS 287 CO 0.00 0.66 0.59 0.45 0.51 0.00 0.00 175.35 177.56 3lml n SER 288 N 2.27 0.40 -0.66 2.83 2.88 -1.26 -4.92 113.62 115.16 3lml n SER 288 Ca -0.18 -1.43 0.09 0.00 -1.33 0.00 0.00 58.87 56.02 3lml n SER 288 Cb 0.53 -0.42 0.22 0.00 -0.75 0.00 0.00 64.21 63.80 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 -3.17 3.42 -4.74 -3.46 5.03 -1.26 -4.89 115.26 106.19 3lml n ASN 289 Ca 0.08 -3.05 -0.40 0.00 0.87 0.00 0.00 54.58 52.08 3lml n ASN 289 Cb 0.30 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.49 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 -2.85 4.25 -1.64 3.41 2.01 -1.26 -2.71 115.64 116.84 3lml s THR 290 Ca 0.39 2.06 0.00 0.00 0.31 0.00 0.00 61.69 64.46 3lml s THR 290 Cb 0.33 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3lml s THR 290 CO 0.07 0.43 0.00 0.49 -0.69 0.00 0.00 174.62 174.92 3lml n PHE 291 N 2.00 -0.16 -3.14 4.92 3.72 0.19 -4.91 117.46 120.09 3lml n PHE 291 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 3lml n PHE 291 Cb 0.48 -2.90 -0.05 0.00 -0.94 0.00 0.00 39.48 36.06 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 -2.64 5.07 0.30 -4.37 1.01 -1.10 -4.77 120.40 113.90 3lml s VAL 292 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.02 3lml s VAL 292 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3lml s VAL 292 CO 0.00 0.29 0.88 -0.54 0.00 0.00 0.00 175.10 175.73 3lml s LYS 293 N 0.63 4.47 -0.89 2.72 1.02 -1.26 -1.40 119.74 125.03 3lml s LYS 293 Ca 0.33 1.18 -0.17 0.00 0.02 0.00 0.00 55.97 57.33 3lml s LYS 293 Cb -0.17 -2.80 0.16 0.00 -0.52 0.00 0.00 37.83 34.50 3lml s LYS 293 CO 0.16 0.30 0.99 -0.47 -0.92 0.00 0.00 175.35 175.41 3lml s TYR 294 N -1.61 3.36 0.01 3.18 6.14 -0.24 -4.97 117.35 123.22 3lml s TYR 294 Ca 0.48 -1.62 -0.37 0.00 0.64 0.00 0.00 57.07 56.21 3lml s TYR 294 Cb -0.18 -4.11 -0.16 0.00 0.42 0.00 0.00 41.96 37.94 3lml s TYR 294 CO 0.22 -1.30 1.52 -3.47 0.64 0.00 0.00 175.55 173.16 3lml n ASP 295 N 5.57 2.23 0.00 4.32 2.03 -1.26 -1.56 116.55 127.88 3lml n ASP 295 Ca 0.20 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.60 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 3.21 0.94 3.70 0.27 0.00 -1.26 -5.05 105.19 107.00 3lml n GLY 296 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.25 3.61 -1.17 4.61 0.00 -0.60 -1.18 121.76 124.78 3lml s ALA 297 Ca 0.00 -0.65 0.22 0.00 0.00 0.00 0.00 51.96 51.53 3lml s ALA 297 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 3lml s ALA 297 CO 0.00 -0.06 1.01 0.44 0.00 0.00 0.00 175.76 177.15 3lml n ILE 298 N 3.93 0.00 -3.59 0.00 -5.35 0.70 -3.93 119.36 111.11 3lml n ILE 298 Ca -0.13 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.21 3lml n ILE 298 Cb 0.52 0.93 -0.06 0.00 -1.74 0.00 0.00 39.64 39.29 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 -2.91 -0.40 -0.35 7.28 2.15 -1.12 -4.80 116.67 116.51 3lml s ASP 299 Ca 0.10 0.54 -0.18 0.00 0.43 0.00 0.00 52.55 53.45 3lml s ASP 299 Cb 0.17 0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 43.26 3lml s ASP 299 CO 0.80 -0.29 0.51 0.00 -0.17 0.00 0.00 175.17 176.02 3lml s ALA 300 N -0.70 3.47 -0.18 3.66 0.00 -1.26 0.48 121.76 127.23 3lml s ALA 300 Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3lml s ALA 300 Cb -0.02 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3lml s ALA 300 CO -0.01 -1.23 -0.19 0.95 0.00 0.00 0.00 175.76 175.29 3lml s THR 301 N 2.37 2.16 0.67 0.00 -4.23 -0.52 -2.74 115.64 113.36 3lml s THR 301 Ca 0.18 -0.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 3lml s THR 301 Cb -0.16 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3lml s THR 301 CO 0.13 0.53 1.01 -2.16 -0.54 0.00 0.00 174.62 173.60 3lml s PRO 302 N 1.26 2.63 0.43 3.99 0.04 -1.26 -1.76 135.00 140.33 3lml s PRO 302 Ca 0.04 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 3lml s PRO 302 Cb -0.13 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3lml s PRO 302 CO -0.11 -1.02 0.66 1.03 0.04 0.00 0.00 177.00 177.60 3lml s ARG 303 N -5.22 3.29 -0.06 4.56 0.52 -1.11 -4.67 118.95 116.26 3lml s ARG 303 Ca 0.57 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 3lml s ARG 303 Cb -0.11 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.82 3lml s ARG 303 CO 0.47 -0.13 -0.14 -0.51 0.02 0.00 0.00 175.30 175.02 3lml s LEU 304 N -4.53 1.73 0.90 2.53 1.02 -1.26 -5.09 118.68 113.99 3lml s LEU 304 Ca 0.45 -0.31 -0.11 0.00 0.02 0.00 0.00 54.13 54.18 3lml s LEU 304 Cb -0.10 -0.86 0.13 0.00 0.02 0.00 0.00 46.19 45.38 3lml s LEU 304 CO 0.39 0.06 1.09 0.00 0.02 0.00 0.00 176.35 177.91 3lml s ALA 305 N 0.50 1.46 0.23 4.21 0.00 -1.26 -4.57 121.76 122.33 3lml s ALA 305 Ca -0.12 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 3lml s ALA 305 Cb -0.15 -3.24 0.40 0.00 0.00 0.00 0.00 23.12 20.13 3lml s ALA 305 CO 0.04 -2.45 1.68 -0.91 0.00 0.00 0.00 175.76 174.12 3lml h ASN 306 N -1.62 -0.08 -0.59 0.00 4.21 -2.00 0.22 115.58 115.71 3lml h ASN 306 Ca -0.49 0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.07 3lml h ASN 306 Cb 1.28 0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.67 3lml h ASN 306 CO 0.52 -0.06 0.00 -2.24 -1.29 0.00 0.00 177.43 174.36 3lml h ASP 307 N 0.22 1.04 -0.41 5.81 3.04 -1.98 0.50 116.42 124.64 3lml h ASP 307 Ca 0.38 -0.29 -0.07 0.00 -3.24 0.00 0.00 57.03 53.81 3lml h ASP 307 Cb 0.63 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 3lml h ASP 307 CO -0.51 1.09 -0.02 -0.33 -2.04 0.00 0.00 179.24 177.43 3lml h GLU 308 N 0.97 0.73 0.46 4.15 5.08 -1.49 -0.03 114.58 124.46 3lml h GLU 308 Ca 0.17 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3lml h GLU 308 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3lml h GLU 308 CO 0.03 0.82 -0.22 0.00 -1.00 0.00 0.00 179.01 178.64 3lml h ALA 309 N 0.88 -0.62 -0.99 3.43 0.00 -0.54 0.36 119.26 121.79 3lml h ALA 309 Ca 0.11 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.02 3lml h ALA 309 Cb 0.50 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 3lml h ALA 309 CO 0.02 -0.74 0.61 1.49 0.00 0.00 0.00 179.25 180.64 3lml h GLU 310 N -0.85 0.71 0.61 0.00 4.81 -0.90 0.14 114.58 119.10 3lml h GLU 310 Ca -0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3lml h GLU 310 Cb 0.57 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3lml h GLU 310 CO 0.10 0.47 -0.29 1.49 -0.73 0.00 0.00 179.01 180.05 3lml h GLU 311 N 0.73 -0.79 -0.35 1.92 4.57 -0.61 -2.27 114.58 117.78 3lml h GLU 311 Ca 0.55 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.86 3lml h GLU 311 Cb 0.89 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.58 3lml h GLU 311 CO -0.32 -0.50 -0.20 0.00 -1.18 0.00 0.00 179.01 176.80 3lml h ALA 312 N -0.53 0.04 -0.98 2.92 0.00 0.18 -0.46 119.26 120.43 3lml h ALA 312 Ca -0.08 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3lml h ALA 312 Cb 0.65 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3lml h ALA 312 CO 0.14 -0.59 0.62 -0.07 0.00 0.00 0.00 179.25 179.35 3lml h LEU 313 N -0.15 0.96 -2.03 0.00 3.38 -0.81 0.12 115.31 116.77 3lml h LEU 313 Ca 0.18 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3lml h LEU 313 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3lml h LEU 313 CO -0.44 0.57 0.16 -0.61 0.09 0.00 0.00 178.44 178.21 3lml h GLN 314 N 1.06 0.00 -0.64 1.13 5.75 -0.48 -0.36 115.11 121.57 3lml h GLN 314 Ca 0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 3lml h GLN 314 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3lml h GLN 314 CO -0.22 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.05 3lml n ASN 315 N -4.40 4.22 -2.78 -0.69 5.03 0.37 -4.94 115.26 112.07 3lml n ASN 315 Ca 0.02 -2.42 -0.15 0.00 0.87 0.00 0.00 54.58 52.90 3lml n ASN 315 Cb 0.31 -0.55 0.06 0.00 -1.02 0.00 0.00 39.78 38.58 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 0.97 -0.15 3.61 7.41 0.00 -0.15 -4.89 105.19 111.99 3lml n GLY 316 Ca 0.22 -0.02 -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 -5.57 3.43 -0.68 1.61 2.02 -0.92 -3.65 118.70 114.94 3lml s GLU 317 Ca 0.26 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.56 3lml s GLU 317 Cb -0.11 -2.93 0.05 0.00 0.10 0.00 0.00 34.13 31.24 3lml s GLU 317 CO 0.54 0.45 1.12 0.12 0.02 0.00 0.00 175.26 177.51 3lml s PHE 318 N -0.19 2.49 0.06 1.61 2.19 0.29 -4.44 117.98 119.99 3lml s PHE 318 Ca 0.05 -0.22 0.04 0.00 0.33 0.00 0.00 56.93 57.13 3lml s PHE 318 Cb -0.12 -4.45 -0.04 0.00 -1.31 0.00 0.00 43.02 37.10 3lml s PHE 318 CO 0.02 -1.83 -0.01 0.14 1.83 0.00 0.00 175.22 175.37 3lml s VAL 319 N 4.90 3.98 -0.15 3.12 -7.23 -1.26 -1.74 120.40 122.02 3lml s VAL 319 Ca 0.30 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3lml s VAL 319 Cb -0.12 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3lml s VAL 319 CO 0.14 0.21 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.32 3lml s LEU 320 N -2.03 3.11 0.03 1.32 1.43 -1.26 -1.17 118.68 120.11 3lml s LEU 320 Ca 0.23 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3lml s LEU 320 Cb -0.12 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3lml s LEU 320 CO 0.15 0.17 -0.23 0.42 0.23 0.00 0.00 176.35 177.09 3lml s THR 321 N 0.33 2.39 -0.21 5.49 -4.23 -0.30 -4.81 115.64 114.31 3lml s THR 321 Ca -0.06 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.05 3lml s THR 321 Cb -0.15 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 3lml s THR 321 CO 0.04 0.41 0.49 0.12 -0.54 0.00 0.00 174.62 175.13 3lml s PHE 322 N -0.80 3.36 -0.53 3.99 5.36 -1.26 -1.40 117.98 126.70 3lml s PHE 322 Ca 0.12 0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 56.63 3lml s PHE 322 Cb -0.10 -2.64 0.09 0.00 -0.34 0.00 0.00 43.02 40.03 3lml s PHE 322 CO 0.02 -0.10 0.55 0.34 -1.46 0.00 0.00 175.22 174.57 3lml s ASP 323 N 1.17 6.18 0.62 6.13 2.15 -0.27 -4.91 116.67 127.76 3lml s ASP 323 Ca 0.22 -1.39 0.37 0.00 0.43 0.00 0.00 52.55 52.18 3lml s ASP 323 Cb -0.15 -2.24 2.09 0.00 -0.30 0.00 0.00 42.92 42.32 3lml s ASP 323 CO 0.09 -0.87 2.30 0.00 -0.17 0.00 0.00 175.17 176.52 3lml h ALA 324 N 8.95 1.27 0.80 3.66 0.00 -1.96 0.38 119.26 132.36 3lml h ALA 324 Ca -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 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 1.00 0.01 -0.39 -0.09 0.00 0.00 0.00 179.25 179.77 3lml h ARG 325 N 0.00 -1.04 -0.01 0.00 9.65 -1.95 -3.21 114.38 117.82 3lml h ARG 325 Ca -0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3lml h ARG 325 Cb 0.02 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3lml h ARG 325 CO 0.00 -0.69 -0.19 -3.47 2.80 0.00 0.00 179.97 178.42 3lml n ASP 326 N -5.25 1.08 -3.60 -3.80 2.03 -1.14 -4.98 116.55 100.88 3lml n ASP 326 Ca -0.13 -1.00 -0.27 0.00 0.52 0.00 0.00 54.79 53.91 3lml n ASP 326 Cb 0.43 0.09 0.04 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.50 -1.32 -3.59 -0.67 5.02 0.13 -5.01 118.16 112.22 3lml n LYS 327 Ca 0.14 0.60 -0.16 0.00 -2.02 0.00 0.00 58.31 56.87 3lml n LYS 327 Cb 0.34 -4.26 -0.07 0.00 -0.02 0.00 0.00 35.03 31.03 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 -3.38 -1.46 -0.06 7.82 0.00 -1.11 -4.96 121.76 118.62 3lml s ALA 328 Ca 0.40 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 3lml s ALA 328 Cb -0.14 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3lml s ALA 328 CO 0.84 -0.36 0.13 0.54 0.00 0.00 0.00 175.76 176.91 3lml s VAL 329 N -1.39 5.20 0.19 0.00 0.11 -1.25 -1.11 120.40 122.15 3lml s VAL 329 Ca -0.11 -0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 3lml s VAL 329 Cb -0.01 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 3lml s VAL 329 CO 0.07 0.47 0.20 -0.72 -3.33 0.00 0.00 175.10 171.79 3lml s TYR 330 N -1.14 0.86 -0.07 1.54 1.13 -0.49 -1.08 117.35 118.09 3lml s TYR 330 Ca 0.20 -1.15 -0.30 0.00 -1.41 0.00 0.00 57.07 54.41 3lml s TYR 330 Cb -0.12 -0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 40.37 3lml s TYR 330 CO 0.10 -0.70 1.16 0.08 -2.51 0.00 0.00 175.55 173.69 3lml s VAL 331 N -4.09 4.36 0.17 -3.49 1.01 -0.49 -1.15 120.40 116.72 3lml s VAL 331 Ca 0.30 1.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.87 3lml s VAL 331 Cb 0.05 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3lml s VAL 331 CO 0.08 -0.01 1.56 -0.33 0.00 0.00 0.00 175.10 176.41 3lml h GLU 332 N 7.41 0.93 -1.38 2.72 4.39 -1.47 0.57 114.58 127.75 3lml h GLU 332 Ca -0.33 -0.40 0.13 0.00 0.34 0.00 0.00 59.36 59.10 3lml h GLU 332 Cb 1.16 -0.03 -0.27 0.00 -0.10 0.00 0.00 28.75 29.51 3lml h GLU 332 CO 0.88 1.06 0.37 -1.14 -1.16 0.00 0.00 179.01 179.02 3lml s GLN 333 N -4.61 0.34 -1.18 2.33 0.74 -1.26 -4.71 119.66 111.30 3lml s GLN 333 Ca -0.11 0.63 -0.21 0.00 0.05 0.00 0.00 55.36 55.72 3lml s GLN 333 Cb 0.12 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 3lml s GLN 333 CO 0.86 -0.08 1.83 0.34 -0.55 0.00 0.00 175.29 177.70 3lml s ASP 334 N 1.58 5.75 0.38 6.67 2.15 -1.26 -4.67 116.67 127.26 3lml s ASP 334 Ca -0.07 -1.79 0.08 0.00 0.43 0.00 0.00 52.55 51.20 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 -2.30 0.02 -0.76 -0.17 0.00 0.00 175.17 171.80 3lml s LEU 335 N 8.23 2.90 0.44 -1.34 1.43 -1.26 -1.44 118.68 127.64 3lml s LEU 335 Ca 0.62 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 3lml s LEU 335 Cb 0.00 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 3lml s LEU 335 CO 0.08 -0.37 0.02 0.54 0.23 0.00 0.00 176.35 176.85 3lml s ASN 336 N -3.72 3.79 0.48 2.29 6.03 -0.53 -4.65 114.94 118.62 3lml s ASN 336 Ca 0.35 -1.49 0.32 0.00 -1.03 0.00 0.00 52.86 51.01 3lml s ASN 336 Cb 0.05 0.01 1.73 0.00 -3.03 0.00 0.00 41.25 40.01 3lml s ASN 336 CO 0.19 -0.64 1.98 0.77 -2.03 0.00 0.00 177.10 177.38 3lml h SER 337 N 1.65 0.00 -2.23 3.54 4.64 -0.84 -3.42 113.55 116.89 3lml h SER 337 Ca -0.43 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.32 3lml h SER 337 Cb 1.27 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.38 3lml h SER 337 CO 0.76 0.00 1.14 -0.11 -0.87 0.00 0.00 176.83 177.76 3lml n LEU 338 N -2.64 3.80 0.00 5.97 7.94 -1.17 -3.07 117.00 127.83 3lml n LEU 338 Ca -0.02 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 3lml n LEU 338 Cb 0.06 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.56 3lml n LEU 338 CO 0.15 0.07 -0.40 0.35 -1.11 0.00 0.00 177.39 176.45 3lml n THR 339 N 5.18 0.00 -2.22 1.96 -2.24 -1.26 -4.68 114.28 111.02 3lml n THR 339 Ca 0.21 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.57 3lml n THR 339 Cb 0.35 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 3lml n THR 339 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3lml s THR 340 N -1.87 3.46 0.30 4.28 -1.32 -1.26 -5.04 115.64 114.19 3lml s THR 340 Ca 0.00 1.04 0.05 0.00 -1.21 0.00 0.00 61.69 61.57 3lml s THR 340 Cb 0.00 -3.67 -0.06 0.00 -1.51 0.00 0.00 72.50 67.26 3lml s THR 340 CO 0.00 0.08 0.01 -0.36 -2.21 0.00 0.00 174.62 172.13 3lml s PHE 341 N 1.18 1.95 0.00 9.09 0.08 -1.26 -5.08 117.98 123.95 3lml s PHE 341 Ca 0.63 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3lml s PHE 341 Cb -0.35 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3lml s PHE 341 CO 0.30 0.12 0.00 -1.13 -0.10 0.00 0.00 175.22 174.41 3lml n SER 342 N -0.64 2.08 -0.02 1.36 3.41 -1.22 -5.06 113.62 113.53 3lml n SER 342 Ca -0.04 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.61 3lml n SER 342 Cb 0.65 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.66 0.23 4.33 2.85 -1.26 -4.37 118.16 120.59 3lml n LYS 343 Ca 0.00 -0.05 -0.15 0.00 -1.05 0.00 0.00 58.31 57.06 3lml n LYS 343 Cb 0.00 -1.59 -0.08 0.00 -0.65 0.00 0.00 35.03 32.71 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 0.00 -0.56 -4.68 -1.58 3.07 -2.03 -3.41 114.58 105.39 3lml h GLU 344 Ca -0.18 0.04 -0.55 0.00 -0.50 0.00 0.00 59.36 58.16 3lml h GLU 344 Cb 1.45 0.13 -0.34 0.00 -0.84 0.00 0.00 28.75 29.14 3lml h GLU 344 CO 0.02 -0.37 -0.83 -1.59 -1.40 0.00 0.00 179.01 174.84 3lml s LYS 345 N -6.09 1.99 0.88 2.33 0.00 -1.26 -5.10 119.74 112.49 3lml s LYS 345 Ca -0.16 -0.50 -0.15 0.00 0.00 0.00 0.00 55.97 55.16 3lml s LYS 345 Cb 0.05 -1.64 0.21 0.00 0.00 0.00 0.00 37.83 36.45 3lml s LYS 345 CO 0.64 0.02 0.98 -1.13 0.00 0.00 0.00 175.35 175.86 3lml n SER 346 N 3.91 -0.84 0.19 0.03 3.41 -1.26 -3.46 113.62 115.61 3lml n SER 346 Ca -0.21 -1.22 0.14 0.00 -0.26 0.00 0.00 58.87 57.32 3lml n SER 346 Cb 0.52 -0.82 0.56 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.87 0.00 0.00 4.04 0.87 -1.98 -3.18 113.55 111.43 3lml h SER 347 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3lml h SER 347 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3lml h SER 347 CO 0.23 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.82 3lml n LYS 348 N -2.60 0.43 -0.01 2.24 5.02 -1.26 -2.14 118.16 119.84 3lml n LYS 348 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 3lml n LYS 348 Cb 0.27 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 3lml n LYS 348 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3lml n PHE 349 N 0.27 0.00 0.67 2.13 3.72 -1.20 -4.42 117.46 118.63 3lml n PHE 349 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 3lml n PHE 349 Cb 0.10 -0.17 0.40 0.00 -0.94 0.00 0.00 39.48 38.87 3lml n PHE 349 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3lml n ARG 350 N -1.78 0.07 -3.62 -1.08 1.85 -0.91 -4.47 116.66 106.71 3lml n ARG 350 Ca -0.02 0.18 -0.39 0.00 -1.00 0.00 0.00 57.85 56.61 3lml n ARG 350 Cb 0.23 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.02 3lml n ARG 350 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3lml s LYS 351 N -2.89 3.14 0.53 2.89 1.02 -1.26 -1.45 119.74 121.72 3lml s LYS 351 Ca 0.11 -0.86 0.21 0.00 0.02 0.00 0.00 55.97 55.44 3lml s LYS 351 Cb 0.12 -3.65 1.38 0.00 -0.52 0.00 0.00 37.83 35.16 3lml s LYS 351 CO 0.31 -0.53 2.10 -0.91 -0.92 0.00 0.00 175.35 175.40 3lml h ASN 352 N 8.39 0.00 -1.08 2.83 2.35 -1.47 -0.14 115.58 126.47 3lml h ASN 352 Ca -0.29 0.00 0.33 0.00 -0.55 0.00 0.00 56.30 55.78 3lml h ASN 352 Cb 1.13 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.37 3lml h ASN 352 CO 0.64 0.00 0.66 0.50 -1.65 0.00 0.00 177.43 177.58 3lml h LYS 353 N 0.00 0.30 0.00 0.81 3.11 -1.92 -0.04 116.57 118.83 3lml h LYS 353 Ca 0.09 -0.02 -0.24 0.00 -2.81 0.00 0.00 60.65 57.67 3lml h LYS 353 Cb 0.37 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.50 3lml h LYS 353 CO -0.00 0.20 -1.47 -0.89 -2.81 0.00 0.00 179.45 174.48 3lml n ILE 354 N -4.85 1.51 -0.25 2.00 -0.00 -0.11 -4.34 119.36 113.32 3lml n ILE 354 Ca 0.31 -0.07 0.06 0.00 -0.00 0.00 0.00 62.75 63.05 3lml n ILE 354 Cb 1.04 -2.08 0.19 0.00 -0.00 0.00 0.00 39.64 38.79 3lml n ILE 354 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3lml h SER 355 N -1.00 0.05 -0.00 4.38 0.02 -1.13 0.18 113.55 116.05 3lml h SER 355 Ca -0.36 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3lml h SER 355 Cb 1.24 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 3lml h SER 355 CO -0.22 -0.03 0.04 -0.09 -1.14 0.00 0.00 176.83 175.40 3lml h ARG 356 N 0.29 0.00 0.04 3.45 2.43 -1.23 0.24 114.38 119.60 3lml h ARG 356 Ca 0.42 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3lml h ARG 356 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3lml h ARG 356 CO -0.50 0.00 -0.02 0.82 -1.51 0.00 0.00 179.97 178.76 3lml h ILE 357 N 0.00 0.90 -0.03 1.20 1.08 -0.83 -2.53 117.51 117.31 3lml h ILE 357 Ca 0.00 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3lml h ILE 357 Cb 0.08 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3lml h ILE 357 CO -0.00 0.29 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.68 3lml h LEU 358 N -0.97 0.06 -0.74 1.44 3.38 -1.26 -2.56 115.31 114.64 3lml h LEU 358 Ca -0.01 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.73 3lml h LEU 358 Cb 0.52 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3lml h LEU 358 CO 0.01 0.40 0.33 0.44 0.09 0.00 0.00 178.44 179.70 3lml h ASP 359 N -0.29 0.36 0.08 -0.43 3.45 -0.71 0.18 116.42 119.07 3lml h ASP 359 Ca 0.01 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 3lml h ASP 359 Cb 0.37 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3lml h ASP 359 CO 0.00 0.17 -0.12 1.23 -1.57 0.00 0.00 179.24 178.95 3lml h GLY 360 N 0.51 0.11 0.58 2.75 0.00 -1.35 -1.70 103.07 103.98 3lml h GLY 360 Ca 0.39 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 3lml h GLY 360 CO -0.35 0.05 -0.33 -2.22 0.00 0.00 0.00 176.54 173.69 3lml h ILE 361 N 0.10 1.48 -0.24 2.60 1.08 -0.30 -1.63 117.51 120.60 3lml h ILE 361 Ca 0.02 -1.89 0.04 0.00 -0.39 0.00 0.00 64.86 62.63 3lml h ILE 361 Cb 0.28 2.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.59 3lml h ILE 361 CO 0.02 0.53 0.03 -1.13 -0.69 0.00 0.00 178.15 176.91 3lml h ASN 362 N -0.32 -0.03 0.92 1.72 -0.73 -0.97 0.50 115.58 116.66 3lml h ASN 362 Ca -0.04 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 3lml h ASN 362 Cb 1.05 0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.70 3lml h ASN 362 CO 0.07 0.02 -0.05 0.78 -0.37 0.00 0.00 177.43 177.87 3lml h ASN 363 N 0.12 0.00 0.17 1.15 -0.26 -1.38 -2.54 115.58 112.85 3lml h ASN 363 Ca 0.11 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.58 3lml h ASN 363 Cb 0.13 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.40 3lml h ASN 363 CO -0.17 0.05 -1.31 0.44 -1.06 0.00 0.00 177.43 175.39 3lml h ASP 364 N 0.00 0.57 -0.41 5.81 3.32 -0.14 -2.92 116.42 122.66 3lml h ASP 364 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.14 3lml h ASP 364 Cb 0.53 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3lml h ASP 364 CO 0.01 1.61 0.26 0.74 -1.72 0.00 0.00 179.24 180.13 3lml h THR 365 N -0.14 1.11 0.44 0.35 2.02 0.02 -0.34 112.91 116.37 3lml h THR 365 Ca -0.25 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3lml h THR 365 Cb 1.89 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3lml h THR 365 CO 0.16 0.11 -0.45 -0.09 0.37 0.00 0.00 175.52 175.62 3lml h ARG 366 N 0.55 -0.87 0.28 6.66 2.43 -1.56 -1.98 114.38 119.89 3lml h ARG 366 Ca 0.15 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3lml h ARG 366 Cb -0.04 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3lml h ARG 366 CO -0.03 -0.58 -0.33 -0.09 -1.51 0.00 0.00 179.97 177.42 3lml h ARG 367 N -0.91 -0.60 -0.36 0.20 9.65 -1.42 -2.44 114.38 118.50 3lml h ARG 367 Ca -0.05 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3lml h ARG 367 Cb 0.80 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.48 3lml h ARG 367 CO -0.07 -0.40 -0.21 0.09 2.80 0.00 0.00 179.97 182.18 3lml n ASN 368 N -4.38 -0.38 0.07 -3.80 3.02 -0.15 -1.12 115.26 108.52 3lml n ASN 368 Ca -0.07 1.04 -0.12 0.00 -0.03 0.00 0.00 54.58 55.40 3lml n ASN 368 Cb 0.29 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3lml n ASN 368 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3lml h ILE 369 N 0.00 0.41 -0.76 2.41 5.03 -1.37 -1.94 117.51 121.29 3lml h ILE 369 Ca 0.06 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.97 3lml h ILE 369 Cb 0.15 0.41 -0.12 0.00 -3.03 0.00 0.00 36.82 34.23 3lml h ILE 369 CO -0.34 0.00 0.15 -0.07 -0.68 0.00 0.00 178.15 177.21 3lml h LEU 370 N -0.41 -0.06 -0.02 1.44 3.38 -0.71 0.25 115.31 119.18 3lml h LEU 370 Ca 0.06 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3lml h LEU 370 Cb 0.49 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3lml h LEU 370 CO -0.22 -0.09 -0.09 0.44 0.09 0.00 0.00 178.44 178.58 3lml h ASP 371 N 0.22 -0.27 -0.92 -0.43 3.45 -0.56 -0.59 116.42 117.33 3lml h ASP 371 Ca 0.44 0.04 0.07 0.00 0.43 0.00 0.00 57.03 58.01 3lml h ASP 371 Cb 0.78 0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.60 3lml h ASP 371 CO -0.57 -0.13 0.58 0.00 -1.57 0.00 0.00 179.24 177.55 3lml h ALA 372 N 0.85 1.27 0.58 3.45 0.00 -0.16 0.72 119.26 125.96 3lml h ALA 372 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3lml h ALA 372 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3lml h ALA 372 CO -0.11 0.33 -0.33 0.82 0.00 0.00 0.00 179.25 179.97 3lml h ILE 373 N 1.04 0.00 0.00 0.00 1.08 0.07 0.12 117.51 119.82 3lml h ILE 373 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 3lml h ILE 373 Cb 0.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3lml h ILE 373 CO -0.18 0.00 0.00 2.29 -0.69 0.00 0.00 178.15 179.57 3lml n LYS 374 N -4.42 0.52 -0.09 2.37 2.85 -0.29 -1.73 118.16 117.37 3lml n LYS 374 Ca -0.10 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.03 3lml n LYS 374 Cb 0.34 -1.32 -0.09 0.00 -0.65 0.00 0.00 35.03 33.32 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 -0.82 0.55 0.23 -1.58 0.00 0.23 -3.95 120.64 115.30 3lml n GLU 375 Ca 0.08 0.10 0.11 0.00 0.00 0.00 0.00 57.16 57.45 3lml n GLU 375 Cb 0.04 -1.37 0.53 0.00 0.00 0.00 0.00 31.44 30.63 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 -0.34 -2.27 114.38 126.72 3lml h ARG 376 Ca -0.42 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.30 3lml h ARG 376 Cb 1.66 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.22 3lml h ARG 376 CO -0.06 0.20 -0.75 -0.22 2.80 0.00 0.00 179.97 181.94 3lml h LYS 377 N 0.00 0.02 0.00 0.20 3.64 -1.52 0.10 116.57 119.01 3lml h LYS 377 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3lml h LYS 377 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3lml h LYS 377 CO 0.03 0.76 0.00 -0.25 -2.27 0.00 0.00 179.45 177.72 3lml n ASP 378 N -3.66 0.60 -0.85 4.20 10.43 -0.86 -1.79 116.55 124.62 3lml n ASP 378 Ca -0.01 0.60 0.09 0.00 2.57 0.00 0.00 54.79 58.05 3lml n ASP 378 Cb 0.73 -0.75 0.14 0.00 1.84 0.00 0.00 41.12 43.08 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 -1.73 2.40 -2.87 2.24 0.00 -1.14 -4.96 120.51 114.46 3lml n ALA 379 Ca 0.04 -0.86 -0.17 0.00 0.00 0.00 0.00 53.44 52.45 3lml n ALA 379 Cb 0.30 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 1.08 -5.02 -2.05 0.00 4.05 -0.74 -4.92 115.26 107.66 3lml n ASN 380 Ca 0.14 -0.23 -0.08 0.00 0.45 0.00 0.00 54.58 54.86 3lml n ASN 380 Cb 0.49 -3.85 0.06 0.00 1.23 0.00 0.00 39.78 37.70 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 -4.22 1.71 -0.88 -0.44 -1.04 0.34 -5.02 114.28 104.73 3lml n THR 381 Ca -0.08 -3.21 -0.34 0.00 -2.04 0.00 0.00 64.05 58.38 3lml n THR 381 Cb 0.59 0.13 -0.04 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.57 -0.07 -4.60 8.00 9.92 -1.11 -4.72 116.55 123.40 3lml n ASP 382 Ca 0.23 0.69 -0.43 0.00 -0.53 0.00 0.00 54.79 54.74 3lml n ASP 382 Cb 0.89 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.80 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 -0.05 3.26 0.64 0.53 1.01 -1.26 -4.95 121.20 120.38 3lml s ILE 383 Ca 0.53 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.26 3lml s ILE 383 Cb -0.74 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3lml s ILE 383 CO 0.34 -0.21 1.30 -2.16 0.00 0.00 0.00 174.94 174.21 3lml s PRO 384 N 5.92 2.57 -0.40 2.79 0.04 -1.26 -4.91 135.00 139.75 3lml s PRO 384 Ca 0.89 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 64.00 3lml s PRO 384 Cb -0.28 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.55 3lml s PRO 384 CO 0.34 -1.59 2.37 0.00 0.04 0.00 0.00 177.00 178.16 3lml n ALA 385 N -1.86 5.79 -2.97 8.56 0.00 -1.26 -3.76 120.51 125.01 3lml n ALA 385 Ca 0.16 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.21 3lml n ALA 385 Cb 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.53 1.16 0.05 0.00 3.85 -1.26 -4.89 116.55 115.99 3lml n ASP 386 Ca 0.40 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 54.38 3lml n ASP 386 Cb 0.57 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.36 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 0.39 -0.30 0.11 4.11 -2.00 -2.85 114.58 114.04 3lml h GLU 387 Ca 0.00 -0.34 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 3lml h GLU 387 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3lml h GLU 387 CO 0.00 0.98 -0.18 -0.91 0.07 0.00 0.00 179.01 178.97 3lml h ASN 388 N 0.26 0.55 -0.13 3.06 4.21 -1.96 -1.17 115.58 120.40 3lml h ASN 388 Ca -0.04 -0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 3lml h ASN 388 Cb 1.35 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3lml h ASN 388 CO 0.13 0.74 -0.00 1.23 -1.29 0.00 0.00 177.43 178.24 3lml h GLY 389 N 0.98 0.25 0.68 2.83 0.00 -1.64 -2.05 103.07 104.13 3lml h GLY 389 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3lml h GLY 389 CO 0.04 0.17 -0.26 -2.08 0.00 0.00 0.00 176.54 174.42 3lml h VAL 390 N -0.04 0.45 -0.65 4.60 2.07 -1.28 -1.97 116.25 119.42 3lml h VAL 390 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 3lml h VAL 390 Cb 0.38 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3lml h VAL 390 CO 0.01 0.00 0.24 -0.61 0.02 0.00 0.00 177.57 177.23 3lml h GLN 391 N -0.53 0.40 0.40 1.57 -0.00 -1.25 0.17 115.11 115.88 3lml h GLN 391 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3lml h GLN 391 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 3lml h GLN 391 CO -0.07 0.26 -0.49 0.35 0.00 0.00 0.00 178.83 178.88 3lml h PHE 392 N 0.41 -1.37 -0.48 3.99 3.57 -0.97 0.62 116.94 122.71 3lml h PHE 392 Ca 0.34 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.94 3lml h PHE 392 Cb 0.45 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 3lml h PHE 392 CO -0.18 -0.63 0.09 0.82 -2.23 0.00 0.00 178.31 176.19 3lml h ILE 393 N -0.91 0.73 -0.27 1.41 2.04 -0.90 -2.22 117.51 117.38 3lml h ILE 393 Ca -0.05 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3lml h ILE 393 Cb 0.81 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3lml h ILE 393 CO -0.11 0.04 -0.13 0.25 0.00 0.00 0.00 178.15 178.20 3lml h LEU 394 N 0.22 -0.45 -1.19 1.44 5.85 -0.35 0.13 115.31 120.97 3lml h LEU 394 Ca 0.24 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3lml h LEU 394 Cb 0.32 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3lml h LEU 394 CO -0.32 -0.17 0.00 -0.24 -0.34 0.00 0.00 178.44 177.37 3lml n SER 395 N -5.30 0.00 0.00 1.25 2.88 0.18 -0.90 113.62 111.73 3lml n SER 395 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3lml n SER 395 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.53 0.00 -0.05 -1.46 1.13 0.46 -2.38 117.38 115.62 3lml n GLN 397 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3lml n GLN 397 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 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 0.87 -0.66 5.09 2.02 -1.24 0.32 112.91 119.30 3lml h THR 398 Ca 0.00 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3lml h THR 398 Cb 0.00 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3lml h THR 398 CO 0.00 0.02 0.28 0.00 0.37 0.00 0.00 175.52 176.19 3lml h ALA 399 N 1.18 0.89 0.53 6.16 0.00 -1.73 0.16 119.26 126.44 3lml h ALA 399 Ca 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3lml h ALA 399 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3lml h ALA 399 CO -0.16 -0.15 -0.35 -0.92 0.00 0.00 0.00 179.25 177.67 3lml h TYR 400 N 0.47 -0.94 -0.45 0.00 3.20 -1.47 -1.27 116.97 116.50 3lml h TYR 400 Ca 0.34 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.29 3lml h TYR 400 Cb 0.42 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 3lml h TYR 400 CO -0.15 -0.53 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.73 3lml h LEU 401 N -0.85 -0.27 -0.90 2.82 -0.00 0.42 -1.09 115.31 115.45 3lml h LEU 401 Ca -0.06 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 3lml h LEU 401 Cb 0.70 0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.54 3lml h LEU 401 CO 0.04 -0.09 0.60 0.78 -0.00 0.00 0.00 178.44 179.77 3lml h ASN 402 N 0.07 1.03 -0.57 -0.43 2.35 -0.58 -2.08 115.58 115.37 3lml h ASN 402 Ca 0.23 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3lml h ASN 402 Cb 0.34 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3lml h ASN 402 CO -0.41 0.74 0.27 -0.33 -1.65 0.00 0.00 177.43 176.06 3lml h GLU 403 N 1.21 0.50 0.00 0.81 4.39 0.00 0.36 114.58 121.86 3lml h GLU 403 Ca 0.33 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 3lml h GLU 403 Cb -0.13 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.41 3lml h GLU 403 CO -0.08 0.33 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.94 3lml h LEU 404 N 0.52 0.00 -0.05 1.33 3.38 -0.68 -0.79 115.31 119.02 3lml h LEU 404 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 3lml h LEU 404 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3lml h LEU 404 CO -0.20 0.09 -0.47 -0.61 0.09 0.00 0.00 178.44 177.34 3lml h GLN 405 N 0.00 0.40 -0.85 1.13 4.15 -0.53 0.23 115.11 119.64 3lml h GLN 405 Ca -0.00 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 3lml h GLN 405 Cb 0.18 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 3lml h GLN 405 CO 0.01 1.02 0.48 -0.44 -1.93 0.00 0.00 178.83 177.97 3lml h ASP 406 N -0.09 1.06 0.34 -0.69 3.45 -0.59 -0.22 116.42 119.68 3lml h ASP 406 Ca -0.04 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.32 3lml h ASP 406 Cb 1.15 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 3lml h ASP 406 CO 0.09 0.84 0.00 -1.54 -1.57 0.00 0.00 179.24 177.07 3lml n SER 407 N -4.38 0.00 -0.03 6.45 3.41 -0.35 -4.87 113.62 113.84 3lml n SER 407 Ca 0.09 -0.07 -0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3lml n SER 407 Cb 0.09 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.36 0.12 5.00 0.00 -0.09 -4.97 105.19 106.03 3lml n GLY 408 Ca 0.10 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 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 1.15 -2.74 4.61 0.00 0.78 -4.80 120.51 118.48 3lml n ALA 409 Ca -0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 3lml n ALA 409 Cb 0.50 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.56 0.63 0.32 0.00 -4.36 -1.10 -2.05 121.20 112.07 3lml s ILE 410 Ca -0.19 -1.24 0.04 0.00 -0.26 0.00 0.00 60.65 59.00 3lml s ILE 410 Cb 0.07 -0.83 -0.06 0.00 1.25 0.00 0.00 42.46 42.89 3lml s ILE 410 CO 0.76 -0.44 0.04 0.42 0.24 0.00 0.00 174.94 175.96 3lml s THR 411 N -1.72 1.26 -1.41 8.37 -4.23 -0.78 -4.08 115.64 113.05 3lml s THR 411 Ca -0.06 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 3lml s THR 411 Cb -0.08 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.07 3lml s THR 411 CO -0.00 -0.06 0.93 0.59 -0.54 0.00 0.00 174.62 175.54 3lml n ASN 412 N -0.67 -3.65 -4.55 3.99 3.02 -1.26 -4.34 115.26 107.80 3lml n ASN 412 Ca -0.03 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3lml n ASN 412 Cb 0.66 -4.22 -0.08 0.00 -0.61 0.00 0.00 39.78 35.54 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 -3.43 3.16 -0.47 3.10 5.36 -1.26 -4.91 117.98 119.53 3lml s PHE 413 Ca 0.39 0.13 -0.14 0.00 -0.96 0.00 0.00 56.93 56.35 3lml s PHE 413 Cb -0.19 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 3lml s PHE 413 CO 0.80 -0.61 0.37 0.34 -1.46 0.00 0.00 175.22 174.66 3lml s ASP 414 N 1.80 6.04 0.40 6.13 2.15 -1.26 -4.92 116.67 127.01 3lml s ASP 414 Ca 0.20 -1.41 0.08 0.00 0.43 0.00 0.00 52.55 51.85 3lml s ASP 414 Cb -0.15 -2.14 0.44 0.00 -0.30 0.00 0.00 42.92 40.77 3lml s ASP 414 CO 0.14 -0.64 1.11 0.28 -0.17 0.00 0.00 175.17 175.89 3lml h SER 415 N 8.69 0.00 0.00 -0.34 0.02 -1.97 -2.98 113.55 116.97 3lml h SER 415 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 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 0.87 0.00 0.00 0.41 -1.14 0.00 0.00 176.83 176.97 3lml n THR 416 N -2.06 0.00 -2.63 -2.27 -1.04 -1.26 -4.64 114.28 100.38 3lml n THR 416 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3lml n THR 416 Cb 0.57 -0.14 0.02 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.17 6.05 -0.20 2.41 0.00 -1.17 -4.19 120.51 122.25 3lml n ALA 417 Ca 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.84 3lml n ALA 417 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.08 0.00 -3.72 0.00 10.43 -1.13 -4.92 116.55 117.12 3lml n ASP 418 Ca 0.47 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.67 3lml n ASP 418 Cb 0.26 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.07 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 -0.01 0.53 1.10 -1.26 -0.75 121.20 120.69 3lml s ILE 419 Ca 0.00 0.26 -0.02 0.00 -0.51 0.00 0.00 60.65 60.37 3lml s ILE 419 Cb 0.00 -0.21 0.00 0.00 0.15 0.00 0.00 42.46 42.40 3lml s ILE 419 CO 0.00 0.11 0.06 0.42 -2.11 0.00 0.00 174.94 173.41 3lml s THR 420 N 1.53 0.03 0.00 4.00 -4.23 -0.08 -4.90 115.64 111.98 3lml s THR 420 Ca -0.05 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.27 3lml s THR 420 Cb -0.12 -0.17 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 3lml s THR 420 CO -0.05 -0.13 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.06 3lml s VAL 421 N -0.40 1.12 0.17 2.29 1.01 -1.26 -1.32 120.40 122.01 3lml s VAL 421 Ca -0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3lml s VAL 421 Cb -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3lml s VAL 421 CO 0.00 0.25 0.23 -1.54 0.00 0.00 0.00 175.10 174.03 3lml n SER 422 N 2.54 -0.62 -4.87 3.32 3.41 -0.47 -4.94 113.62 111.99 3lml n SER 422 Ca -0.15 -1.95 -0.33 0.00 -0.26 0.00 0.00 58.87 56.18 3lml n SER 422 Cb 0.55 1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 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 -1.55 118.68 123.19 3lml s LEU 423 Ca 0.15 0.90 0.00 0.00 0.01 0.00 0.00 54.13 55.19 3lml s LEU 423 Cb -0.00 -3.37 0.00 0.00 0.01 0.00 0.00 46.19 42.82 3lml s LEU 423 CO 0.11 0.04 0.09 -3.20 1.01 0.00 0.00 176.35 174.40 3lml n ASN 424 N 0.39 0.12 0.00 2.29 5.15 0.90 -4.73 115.26 119.37 3lml n ASN 424 Ca -0.03 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 3lml n ASN 424 Cb 0.52 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.23 0.00 -0.40 1.20 3.02 -1.26 -4.24 115.26 113.81 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 0.03 -0.27 0.11 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.06 2.64 -4.24 6.41 3.02 -1.26 -4.98 115.26 116.91 3lml n ASN 426 Ca 0.00 -2.16 -0.38 0.00 -0.03 0.00 0.00 54.58 52.01 3lml n ASN 426 Cb 0.00 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.07 -0.06 -0.41 2.41 0.24 -1.26 -4.73 118.33 114.45 3lml n VAL 427 Ca 0.09 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3lml n VAL 427 Cb 0.42 -0.48 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 -2.17 1.21 -3.74 -1.34 5.75 -1.26 -4.79 116.55 110.22 3lml n ASP 428 Ca 0.08 -1.62 -0.03 0.00 -0.01 0.00 0.00 54.79 53.20 3lml n ASP 428 Cb 0.42 -0.00 -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 -0.63 -0.25 -0.02 6.12 0.00 -1.26 -4.99 107.32 106.29 3lml s GLY 429 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.94 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 -3.25 2.80 -0.14 1.90 0.40 -1.26 -0.07 117.98 118.36 3lml s PHE 430 Ca 0.12 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3lml s PHE 430 Cb -0.01 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 3lml s PHE 430 CO 0.02 0.30 -0.12 0.42 0.70 0.00 0.00 175.22 176.54 3lml s ILE 431 N -0.88 3.10 -0.23 0.64 1.01 -0.59 -0.91 121.20 123.34 3lml s ILE 431 Ca 0.14 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3lml s ILE 431 Cb -0.11 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.09 3lml s ILE 431 CO 0.04 0.51 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 3lml s VAL 432 N 0.51 2.06 -0.11 2.92 1.01 0.66 -1.37 120.40 126.08 3lml s VAL 432 Ca -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 3lml s VAL 432 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3lml s VAL 432 CO 0.04 0.16 0.03 0.20 0.00 0.00 0.00 175.10 175.53 3lml s ASN 433 N 1.20 5.41 -0.17 3.32 0.02 -0.44 -0.36 114.94 123.93 3lml s ASN 433 Ca -0.04 0.16 -0.21 0.00 -1.02 0.00 0.00 52.86 51.75 3lml s ASN 433 Cb -0.17 -1.64 0.05 0.00 0.02 0.00 0.00 41.25 39.51 3lml s ASN 433 CO -0.08 0.34 0.56 0.00 0.02 0.00 0.00 177.10 177.94 3lml s GLN 434 N -0.64 0.73 -0.36 -0.60 -2.07 0.94 -0.91 119.66 116.75 3lml s GLN 434 Ca 0.11 0.60 -0.02 0.00 -1.82 0.00 0.00 55.36 54.23 3lml s GLN 434 Cb -0.12 0.35 0.08 0.00 -1.09 0.00 0.00 33.01 32.24 3lml s GLN 434 CO 0.02 -0.13 0.11 -1.12 -1.32 0.00 0.00 175.29 172.85 3lml s SER 435 N -0.12 5.08 0.19 12.60 0.01 0.07 -0.37 113.70 131.15 3lml s SER 435 Ca -0.03 -1.73 0.06 0.00 1.31 0.00 0.00 55.95 55.56 3lml s SER 435 Cb -0.03 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 3lml s SER 435 CO 0.03 -0.42 0.13 -0.63 0.41 0.00 0.00 173.24 172.76 3lml s ILE 436 N 1.17 4.34 -0.22 1.44 -1.09 -0.52 -4.79 121.20 121.54 3lml s ILE 436 Ca 0.03 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 57.21 3lml s ILE 436 Cb -0.21 -3.24 0.06 0.00 -1.58 0.00 0.00 42.46 37.49 3lml s ILE 436 CO -0.03 -0.17 -0.01 -0.70 -1.23 0.00 0.00 174.94 172.80 3lml s GLU 437 N -3.26 1.12 0.26 2.79 2.12 -1.26 0.17 118.70 120.63 3lml s GLU 437 Ca 0.31 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 3lml s GLU 437 Cb -0.09 -2.35 -0.10 0.00 0.26 0.00 0.00 34.13 31.85 3lml s GLU 437 CO 0.23 -0.63 1.47 -2.14 -0.54 0.00 0.00 175.26 173.66 3lml s PRO 438 N 1.63 4.24 0.00 4.30 0.02 -1.26 -1.86 135.00 142.06 3lml s PRO 438 Ca -0.03 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.35 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 -0.07 -0.47 0.00 1.33 -0.33 0.00 0.00 177.00 177.46 3lml n VAL 439 N 2.30 0.00 -2.83 3.83 0.24 -0.87 -2.99 118.33 118.01 3lml n VAL 439 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 3lml n VAL 439 Cb 0.40 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.75 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 6.82 -0.30 -1.34 -0.00 -1.26 -4.74 116.67 115.85 3lml s ASP 440 Ca 0.00 -2.41 -0.16 0.00 -0.00 0.00 0.00 52.55 49.98 3lml s ASP 440 Cb 0.00 -2.45 0.18 0.00 -0.00 0.00 0.00 42.92 40.65 3lml s ASP 440 CO 0.00 -1.01 1.18 -0.94 -0.00 0.00 0.00 175.17 174.39 3lml s SER 441 N 3.59 -0.02 -0.57 0.27 1.04 -1.16 -5.06 113.70 111.78 3lml s SER 441 Ca 0.42 -0.00 -0.27 0.00 0.48 0.00 0.00 55.95 56.57 3lml s SER 441 Cb -0.02 0.67 -0.27 0.00 0.10 0.00 0.00 66.02 66.50 3lml s SER 441 CO -0.03 -0.00 1.83 0.61 0.98 0.00 0.00 173.24 176.63 3lml n GLY 442 N 4.48 0.73 3.49 7.32 0.00 -1.26 -4.65 105.19 115.30 3lml n GLY 442 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 6.93 0.21 -0.04 1.61 2.12 -1.26 -5.14 118.70 123.13 3lml s GLU 443 Ca 0.70 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 56.26 3lml s GLU 443 Cb 0.08 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 3lml s GLU 443 CO 0.24 -0.06 0.57 0.15 -0.54 0.00 0.00 175.26 175.63 3lml s LYS 444 N 1.70 4.33 -0.03 4.30 1.02 -1.26 -4.49 119.74 125.31 3lml s LYS 444 Ca -0.05 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 56.60 3lml s LYS 444 Cb -0.03 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3lml s LYS 444 CO -0.15 0.27 0.06 -0.06 -0.92 0.00 0.00 175.35 174.56 3lml s PHE 445 N 0.16 3.26 -0.20 3.18 0.40 0.13 -4.90 117.98 120.01 3lml s PHE 445 Ca 0.30 0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.71 3lml s PHE 445 Cb -0.17 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3lml s PHE 445 CO 0.15 0.54 0.33 -0.47 0.70 0.00 0.00 175.22 176.47 3lml s TYR 446 N -1.10 3.39 -0.03 0.36 6.14 -1.26 -1.44 117.35 123.41 3lml s TYR 446 Ca 0.19 0.54 0.02 0.00 0.64 0.00 0.00 57.07 58.47 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 0.10 0.07 -0.08 -0.06 0.64 0.00 0.00 175.55 176.22 3lml s PHE 447 N 1.04 0.89 -0.12 4.97 0.40 0.49 -5.01 117.98 120.64 3lml s PHE 447 Ca 0.16 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3lml s PHE 447 Cb -0.14 -0.66 0.03 0.00 0.51 0.00 0.00 43.02 42.76 3lml s PHE 447 CO 0.06 -0.12 -0.03 -0.08 0.70 0.00 0.00 175.22 175.74 3lml s THR 448 N 0.37 0.78 -0.07 0.64 -1.32 -1.26 -0.04 115.64 114.73 3lml s THR 448 Ca -0.06 -0.25 0.04 0.00 -1.21 0.00 0.00 61.69 60.21 3lml s THR 448 Cb -0.10 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 3lml s THR 448 CO 0.01 0.23 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.57 3lml s THR 449 N 1.80 2.70 -0.17 5.08 2.01 0.51 -4.95 115.64 122.62 3lml s THR 449 Ca 0.04 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 3lml s THR 449 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 3lml s THR 449 CO -0.07 0.57 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.65 3lml s GLU 450 N -0.24 3.48 0.00 4.92 2.12 -1.26 -0.24 118.70 127.47 3lml s GLU 450 Ca 0.00 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.72 3lml s GLU 450 Cb -0.13 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.42 3lml s GLU 450 CO 0.03 0.10 0.39 0.28 -0.54 0.00 0.00 175.26 175.52